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 2fus_1_A DATA FIRST_RESID 4 DATA SEQUENCE VRSEKDSMGA IDVPADKLWG AQTQRSLEHF RISTEKMPTS LIHALALTKR DATA SEQUENCE AAAKVNEDLG LLSEEKASAI RQAADEVLAG QHDDEFPLAI WQTGSGTQSN DATA SEQUENCE MNMNEVLANR ASELLGGVRG MERKVNPNDD VNKSQSSNDV FPTAMHVAAL DATA SEQUENCE LALRKQLIPQ LKTLTQTLNE KSRAFADIVK IGRTHLQDAT PLTLGQEISG DATA SEQUENCE WVAMLEHNLK HIEYSLPHVA ELALGGTAVG TGLNTHPEYA RRVADELAVI DATA SEQUENCE TCAPFVTAPN KFEALATCDA LVQAHGALKG LAASLMKIAN DVRWLASGPR DATA SEQUENCE CGIGEISIPE NEPGSSIMPG KVNPTQCEAL TMLCCQVMGN DVAINMGGAS DATA SEQUENCE GNFELNVFRP MVIHNFLQSV RLLADGMESF NKHCAVGIEP NRERINQLLN DATA SEQUENCE ESLMLVTALN THIGYDKAAE IAKKAHKEGL TLKAAALALG YLSEAEFDSW DATA SEQUENCE VRPEQM 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.065 176.094 -0.049 0.000 1.182 4 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 4 V CB 0.000 31.806 31.823 -0.027 0.000 1.184 5 R N 0.013 120.480 120.500 -0.055 0.000 2.795 5 R HA 0.432 nan 4.340 nan 0.000 0.275 5 R C -2.390 173.890 176.300 -0.034 0.000 0.981 5 R CA -1.646 54.424 56.100 -0.050 0.000 0.917 5 R CB 4.367 34.623 30.300 -0.073 0.000 1.202 5 R HN 0.929 9.066 8.270 -0.059 0.097 0.469 6 S N 2.151 117.837 115.700 -0.023 0.000 2.448 6 S HA 0.443 nan 4.470 nan 0.000 0.320 6 S C -1.068 173.528 174.600 -0.007 0.000 1.071 6 S CA -0.757 57.437 58.200 -0.010 0.000 1.113 6 S CB 0.430 63.626 63.200 -0.007 0.000 0.972 6 S HN 0.402 8.697 8.310 -0.025 0.000 0.465 7 E N 7.147 127.349 120.200 0.004 0.000 2.264 7 E HA 0.651 nan 4.350 nan 0.000 0.260 7 E C -1.964 174.648 176.600 0.020 0.000 0.961 7 E CA -1.582 54.824 56.400 0.011 0.000 0.834 7 E CB 3.972 33.685 29.700 0.023 0.000 1.230 7 E HN 0.306 8.671 8.360 0.009 0.000 0.412 8 K N -1.924 118.489 120.400 0.021 0.000 2.555 8 K HA 0.658 nan 4.320 nan 0.000 0.279 8 K C -2.037 174.578 176.600 0.025 0.000 0.986 8 K CA -0.956 55.345 56.287 0.023 0.000 0.880 8 K CB 3.439 35.949 32.500 0.016 0.000 1.474 8 K HN -0.060 8.201 8.250 0.019 0.000 0.433 9 D N -1.623 118.792 120.400 0.026 0.000 2.895 9 D HA 0.308 nan 4.640 nan 0.000 0.320 9 D C 1.177 177.491 176.300 0.023 0.000 1.249 9 D CA -1.237 52.778 54.000 0.026 0.000 0.997 9 D CB 1.622 42.443 40.800 0.034 0.000 1.430 9 D HN 0.526 8.803 8.370 0.026 0.109 0.558 10 S N -1.652 114.061 115.700 0.022 0.000 2.440 10 S HA -0.298 nan 4.470 nan 0.000 0.238 10 S C 0.875 175.486 174.600 0.020 0.000 1.010 10 S CA 2.857 61.068 58.200 0.018 0.000 0.972 10 S CB -0.303 62.907 63.200 0.016 0.000 0.774 10 S HN 0.262 8.586 8.310 0.023 0.000 0.501 11 M N 0.473 120.089 119.600 0.027 0.000 2.561 11 M HA 0.024 nan 4.480 nan 0.000 0.238 11 M C 0.139 176.454 176.300 0.026 0.000 1.131 11 M CA 0.569 55.886 55.300 0.029 0.000 1.046 11 M CB 1.018 33.644 32.600 0.042 0.000 1.532 11 M HN -0.435 8.085 8.290 0.031 -0.212 0.497 12 G N -2.259 106.555 108.800 0.024 0.000 2.352 12 G HA2 -0.138 nan 3.960 nan 0.000 0.324 12 G HA3 -0.138 nan 3.960 nan 0.000 0.324 12 G C -2.916 171.997 174.900 0.021 0.000 1.249 12 G CA -0.746 44.366 45.100 0.020 0.000 1.053 12 G HN -0.285 7.901 8.290 0.023 0.118 0.492 13 A N 0.286 123.117 122.820 0.018 0.000 2.294 13 A HA 1.037 nan 4.320 nan 0.000 0.330 13 A C -1.199 176.397 177.584 0.020 0.000 1.133 13 A CA -1.423 50.625 52.037 0.018 0.000 0.836 13 A CB 1.992 20.999 19.000 0.012 0.000 1.190 13 A HN 0.152 8.311 8.150 0.016 0.000 0.492 14 I N -0.665 119.918 120.570 0.022 0.000 2.775 14 I HA 0.217 nan 4.170 nan 0.000 0.295 14 I C -2.590 173.542 176.117 0.025 0.000 1.287 14 I CA -1.393 59.922 61.300 0.024 0.000 1.029 14 I CB 4.323 42.341 38.000 0.029 0.000 1.282 14 I HN 0.883 9.107 8.210 0.022 0.000 0.426 15 D N 7.326 127.739 120.400 0.021 0.000 2.308 15 D HA 0.476 nan 4.640 nan 0.000 0.251 15 D C -0.408 175.910 176.300 0.030 0.000 1.127 15 D CA -0.055 53.953 54.000 0.014 0.000 0.876 15 D CB 0.016 40.820 40.800 0.006 0.000 1.176 15 D HN -0.099 8.283 8.370 0.019 0.000 0.446 16 V N -2.207 117.710 119.914 0.003 0.000 2.628 16 V HA 0.624 nan 4.120 nan 0.000 0.306 16 V C -2.264 173.763 176.094 -0.111 0.000 1.045 16 V CA -4.602 57.690 62.300 -0.013 0.000 0.905 16 V CB 2.239 34.030 31.823 -0.053 0.000 0.997 16 V HN 0.695 8.764 8.190 -0.020 0.108 0.436 17 P HA 0.017 nan 4.420 nan 0.000 0.262 17 P C 0.319 177.472 177.300 -0.245 0.000 1.199 17 P CA 0.626 63.620 63.100 -0.176 0.000 0.763 17 P CB 0.413 32.004 31.700 -0.182 0.000 0.790 18 A N 6.201 128.926 122.820 -0.159 0.000 1.958 18 A HA -0.340 nan 4.320 nan 0.000 0.221 18 A C 1.045 178.525 177.584 -0.174 0.000 1.178 18 A CA 2.916 54.864 52.037 -0.148 0.000 0.642 18 A CB -0.708 18.235 19.000 -0.094 0.000 0.816 18 A HN 0.489 8.569 8.150 -0.116 0.000 0.453 19 D N -7.050 113.245 120.400 -0.174 0.000 2.338 19 D HA -0.069 nan 4.640 nan 0.000 0.239 19 D C -0.022 176.131 176.300 -0.245 0.000 1.095 19 D CA 0.199 54.101 54.000 -0.164 0.000 0.888 19 D CB -1.044 39.690 40.800 -0.111 0.000 0.899 19 D HN 0.166 8.421 8.370 -0.159 0.019 0.525 20 K N -1.041 119.119 120.400 -0.401 0.000 2.259 20 K HA 0.404 nan 4.320 nan 0.000 0.249 20 K C -0.969 175.322 176.600 -0.515 0.000 0.942 20 K CA -2.061 53.852 56.287 -0.623 0.000 0.816 20 K CB 2.641 34.320 32.500 -1.369 0.000 1.155 20 K HN -0.353 7.559 8.250 -0.389 0.104 0.428 21 L N 0.369 121.355 121.223 -0.394 0.000 2.567 21 L HA 0.075 nan 4.340 nan 0.000 0.225 21 L C -0.307 176.472 176.870 -0.152 0.000 1.119 21 L CA 0.567 55.259 54.840 -0.246 0.000 0.871 21 L CB 0.565 42.495 42.059 -0.214 0.000 1.036 21 L HN 0.424 8.919 8.230 -0.357 -0.479 0.459 22 W N -2.530 118.682 121.300 -0.146 0.000 2.086 22 W HA 0.022 nan 4.660 nan 0.000 0.355 22 W C -1.408 175.066 176.519 -0.075 0.000 1.313 22 W CA -1.175 56.095 57.345 -0.125 0.000 1.358 22 W CB 0.013 29.392 29.460 -0.135 0.000 1.166 22 W HN -0.881 6.987 8.180 -0.438 0.048 0.630 23 G N -3.663 105.333 108.800 0.327 0.000 2.990 23 G HA2 0.293 nan 3.960 nan 0.000 0.208 23 G HA3 0.293 nan 3.960 nan 0.000 0.208 23 G C -1.034 174.006 174.900 0.233 0.000 1.334 23 G CA -1.932 43.288 45.100 0.201 0.000 1.024 23 G HN -0.246 8.431 8.290 0.318 -0.196 0.574 24 A N -0.251 122.644 122.820 0.124 0.000 1.883 24 A HA -0.317 nan 4.320 nan 0.000 0.217 24 A C 2.352 179.984 177.584 0.081 0.000 1.186 24 A CA 3.209 55.303 52.037 0.095 0.000 0.624 24 A CB -0.234 18.802 19.000 0.060 0.000 0.822 24 A HN 0.426 8.631 8.150 0.091 0.000 0.444 25 Q N -3.281 116.561 119.800 0.069 0.000 2.119 25 Q HA -0.347 nan 4.340 nan 0.000 0.201 25 Q C 2.608 178.619 176.000 0.018 0.000 0.972 25 Q CA 3.425 59.257 55.803 0.050 0.000 0.847 25 Q CB -0.027 28.736 28.738 0.043 0.000 0.903 25 Q HN -0.069 8.498 8.270 0.072 -0.254 0.433 26 T N 2.866 117.418 114.554 -0.004 0.000 2.777 26 T HA -0.274 nan 4.350 nan 0.000 0.266 26 T C 2.074 176.640 174.700 -0.224 0.000 1.040 26 T CA 4.608 66.611 62.100 -0.161 0.000 1.141 26 T CB -0.674 68.024 68.868 -0.284 0.000 0.868 26 T HN -0.530 7.973 8.240 0.052 -0.232 0.444 27 Q N 1.660 121.432 119.800 -0.045 0.000 2.119 27 Q HA -0.270 nan 4.340 nan 0.000 0.201 27 Q C 2.126 178.094 176.000 -0.054 0.000 0.972 27 Q CA 2.808 58.630 55.803 0.032 0.000 0.847 27 Q CB -0.452 28.407 28.738 0.201 0.000 0.903 27 Q HN -0.215 8.110 8.270 0.093 0.000 0.433 28 R N -0.742 119.727 120.500 -0.051 0.000 2.075 28 R HA -0.287 nan 4.340 nan 0.000 0.232 28 R C 2.566 178.733 176.300 -0.222 0.000 1.126 28 R CA 3.174 59.190 56.100 -0.140 0.000 0.963 28 R CB 0.047 30.349 30.300 0.003 0.000 0.858 28 R HN -0.070 8.199 8.270 -0.001 0.000 0.435 29 S N 0.896 116.589 115.700 -0.011 0.000 2.383 29 S HA -0.294 nan 4.470 nan 0.000 0.227 29 S C 1.826 176.480 174.600 0.090 0.000 1.026 29 S CA 3.283 61.581 58.200 0.164 0.000 0.981 29 S CB -0.103 63.174 63.200 0.128 0.000 0.818 29 S HN -0.278 8.030 8.310 -0.004 0.000 0.472 30 L N 0.009 121.191 121.223 -0.068 0.000 2.127 30 L HA -0.306 nan 4.340 nan 0.000 0.211 30 L C 0.801 177.629 176.870 -0.070 0.000 1.089 30 L CA 3.319 58.106 54.840 -0.089 0.000 0.757 30 L CB -0.157 41.802 42.059 -0.167 0.000 0.899 30 L HN -0.185 7.973 8.230 -0.119 0.000 0.434 31 E N -4.276 115.828 120.200 -0.160 0.000 2.340 31 E HA -0.154 nan 4.350 nan 0.000 0.194 31 E C 1.859 178.342 176.600 -0.196 0.000 0.996 31 E CA 1.903 58.187 56.400 -0.194 0.000 0.869 31 E CB -0.053 29.486 29.700 -0.268 0.000 0.835 31 E HN -0.461 7.650 8.360 -0.212 0.122 0.493 32 H N -1.474 117.523 119.070 -0.122 0.000 2.547 32 H HA -0.003 nan 4.556 nan 0.000 0.272 32 H C 0.996 175.944 175.328 -0.633 0.000 0.971 32 H CA 1.196 57.017 56.048 -0.379 0.000 1.245 32 H CB 1.404 30.869 29.762 -0.495 0.000 1.440 32 H HN -0.703 7.317 8.280 -0.229 0.123 0.540 33 F N -0.814 119.186 119.950 0.083 0.000 2.530 33 F HA 0.235 nan 4.527 nan 0.000 0.318 33 F C -1.004 174.824 175.800 0.046 0.000 1.356 33 F CA -1.148 56.887 58.000 0.059 0.000 1.135 33 F CB 0.091 39.117 39.000 0.042 0.000 1.315 33 F HN -0.210 8.180 8.300 0.150 0.000 0.549 34 R N 2.505 123.071 120.500 0.110 0.000 3.701 34 R HA 0.094 nan 4.340 nan 0.000 0.210 34 R C -0.713 175.644 176.300 0.095 0.000 1.598 34 R CA -0.390 55.762 56.100 0.086 0.000 1.427 34 R CB -1.176 29.144 30.300 0.033 0.000 1.339 34 R HN 0.002 8.292 8.270 0.034 0.000 0.720 35 I N 2.773 123.440 120.570 0.162 0.000 2.410 35 I HA 0.100 nan 4.170 nan 0.000 0.286 35 I C -0.651 175.576 176.117 0.183 0.000 1.009 35 I CA -0.767 60.616 61.300 0.138 0.000 1.111 35 I CB 0.957 39.054 38.000 0.163 0.000 1.262 35 I HN -0.522 7.782 8.210 0.215 0.034 0.443 36 S N 4.188 119.934 115.700 0.076 0.000 3.251 36 S HA -0.343 nan 4.470 nan 0.000 0.633 36 S C -0.288 174.399 174.600 0.144 0.000 2.788 36 S CA 0.804 59.060 58.200 0.092 0.000 3.086 36 S CB 0.461 63.705 63.200 0.074 0.000 0.327 36 S HN 0.465 8.794 8.310 0.032 0.000 1.718 37 T N -6.332 108.317 114.554 0.157 0.000 3.003 37 T HA 0.148 nan 4.350 nan 0.000 0.261 37 T C -0.066 174.708 174.700 0.123 0.000 1.003 37 T CA -0.393 61.781 62.100 0.123 0.000 0.917 37 T CB 0.344 69.269 68.868 0.095 0.000 1.084 37 T HN -0.047 8.294 8.240 0.168 0.000 0.522 38 E N 3.017 123.321 120.200 0.172 0.000 2.324 38 E HA -0.056 nan 4.350 nan 0.000 0.271 38 E C -0.508 176.048 176.600 -0.073 0.000 1.028 38 E CA 0.734 57.165 56.400 0.053 0.000 0.890 38 E CB 0.178 29.858 29.700 -0.033 0.000 1.004 38 E HN -0.009 8.527 8.360 0.293 0.000 0.431 39 K N 1.215 121.587 120.400 -0.047 0.000 2.331 39 K HA 0.688 nan 4.320 nan 0.000 0.238 39 K C -0.335 176.231 176.600 -0.057 0.000 1.058 39 K CA -1.973 54.279 56.287 -0.058 0.000 0.871 39 K CB 2.248 34.751 32.500 0.005 0.000 1.292 39 K HN 0.038 8.291 8.250 0.004 0.000 0.470 40 M N 1.151 120.725 119.600 -0.042 0.000 2.238 40 M HA 0.069 nan 4.480 nan 0.000 0.350 40 M C -1.518 174.769 176.300 -0.021 0.000 1.321 40 M CA -2.648 52.634 55.300 -0.029 0.000 1.097 40 M CB -1.427 31.159 32.600 -0.023 0.000 1.713 40 M HN -0.040 8.231 8.290 -0.030 0.000 0.455 41 P HA 0.214 nan 4.420 nan 0.000 0.277 41 P C 0.758 177.994 177.300 -0.107 0.000 1.240 41 P CA -0.654 62.423 63.100 -0.039 0.000 0.798 41 P CB 1.414 33.101 31.700 -0.022 0.000 0.979 42 T N 3.028 117.497 114.554 -0.143 0.000 2.685 42 T HA -0.359 nan 4.350 nan 0.000 0.268 42 T C 2.228 176.671 174.700 -0.429 0.000 1.034 42 T CA 4.969 66.888 62.100 -0.301 0.000 1.149 42 T CB -0.486 68.189 68.868 -0.322 0.000 0.860 42 T HN 0.494 8.673 8.240 -0.100 0.000 0.449 43 S N 1.539 117.080 115.700 -0.265 0.000 2.400 43 S HA -0.255 nan 4.470 nan 0.000 0.232 43 S C 1.890 176.424 174.600 -0.111 0.000 1.025 43 S CA 2.709 60.806 58.200 -0.171 0.000 0.993 43 S CB -0.625 62.531 63.200 -0.073 0.000 0.808 43 S HN 0.151 8.350 8.310 -0.186 0.000 0.478 44 L N 2.320 123.470 121.223 -0.121 0.000 2.131 44 L HA -0.138 nan 4.340 nan 0.000 0.206 44 L C 1.258 178.045 176.870 -0.139 0.000 1.087 44 L CA 2.739 57.505 54.840 -0.123 0.000 0.767 44 L CB -0.169 41.824 42.059 -0.110 0.000 0.917 44 L HN -0.508 7.529 8.230 -0.125 0.118 0.441 45 I N -0.801 119.659 120.570 -0.184 0.000 2.179 45 I HA -0.594 nan 4.170 nan 0.000 0.242 45 I C 2.215 178.271 176.117 -0.102 0.000 1.088 45 I CA 3.298 64.431 61.300 -0.278 0.000 1.357 45 I CB -1.561 36.184 38.000 -0.426 0.000 1.051 45 I HN -0.372 7.641 8.210 -0.195 0.081 0.409 46 H N -0.597 118.379 119.070 -0.157 0.000 2.353 46 H HA -0.364 nan 4.556 nan 0.000 0.300 46 H C 2.139 177.413 175.328 -0.090 0.000 1.090 46 H CA 3.108 59.099 56.048 -0.096 0.000 1.327 46 H CB 0.029 29.759 29.762 -0.053 0.000 1.383 46 H HN 0.348 8.589 8.280 -0.065 0.000 0.508 47 A N -0.444 122.395 122.820 0.032 0.000 1.933 47 A HA -0.275 nan 4.320 nan 0.000 0.218 47 A C 1.996 179.530 177.584 -0.084 0.000 1.175 47 A CA 2.988 54.998 52.037 -0.045 0.000 0.628 47 A CB -0.672 18.279 19.000 -0.082 0.000 0.814 47 A HN -0.143 8.019 8.150 0.021 0.000 0.444 48 L N -1.439 119.731 121.223 -0.088 0.000 2.093 48 L HA -0.274 nan 4.340 nan 0.000 0.208 48 L C 1.750 178.593 176.870 -0.044 0.000 1.085 48 L CA 2.221 57.016 54.840 -0.075 0.000 0.755 48 L CB -0.718 41.300 42.059 -0.067 0.000 0.904 48 L HN -0.079 7.996 8.230 -0.092 0.100 0.435 49 A N -0.400 122.396 122.820 -0.040 0.000 1.873 49 A HA -0.296 nan 4.320 nan 0.000 0.215 49 A C 2.090 179.660 177.584 -0.023 0.000 1.186 49 A CA 3.175 55.205 52.037 -0.013 0.000 0.616 49 A CB -0.798 18.197 19.000 -0.008 0.000 0.823 49 A HN -0.140 7.892 8.150 -0.050 0.089 0.442 50 L N -2.958 118.241 121.223 -0.040 0.000 2.079 50 L HA -0.522 nan 4.340 nan 0.000 0.210 50 L C 2.412 179.242 176.870 -0.067 0.000 1.081 50 L CA 3.508 58.318 54.840 -0.051 0.000 0.752 50 L CB -0.399 41.625 42.059 -0.058 0.000 0.896 50 L HN 0.466 8.674 8.230 -0.036 0.000 0.433 51 T N 1.282 115.788 114.554 -0.080 0.000 2.788 51 T HA -0.324 nan 4.350 nan 0.000 0.268 51 T C 2.261 176.936 174.700 -0.041 0.000 1.044 51 T CA 4.846 66.894 62.100 -0.087 0.000 1.139 51 T CB -0.653 68.156 68.868 -0.097 0.000 0.867 51 T HN -0.014 8.095 8.240 -0.080 0.083 0.454 52 K N 1.018 121.408 120.400 -0.015 0.000 2.103 52 K HA -0.172 nan 4.320 nan 0.000 0.204 52 K C 2.046 178.651 176.600 0.008 0.000 1.052 52 K CA 2.431 58.724 56.287 0.011 0.000 0.945 52 K CB -0.757 31.759 32.500 0.027 0.000 0.722 52 K HN -0.407 7.741 8.250 -0.018 0.091 0.443 53 R N -0.355 120.142 120.500 -0.004 0.000 2.073 53 R HA -0.332 nan 4.340 nan 0.000 0.234 53 R C 2.095 178.387 176.300 -0.013 0.000 1.134 53 R CA 3.360 59.457 56.100 -0.005 0.000 0.952 53 R CB -0.030 30.263 30.300 -0.012 0.000 0.850 53 R HN 0.106 8.292 8.270 -0.011 0.077 0.433 54 A N -2.223 120.577 122.820 -0.032 0.000 1.898 54 A HA -0.203 nan 4.320 nan 0.000 0.216 54 A C 1.817 179.377 177.584 -0.040 0.000 1.181 54 A CA 2.865 54.873 52.037 -0.049 0.000 0.620 54 A CB -0.860 18.088 19.000 -0.086 0.000 0.819 54 A HN -0.127 7.999 8.150 -0.041 0.000 0.442 55 A N -2.320 120.493 122.820 -0.012 0.000 1.933 55 A HA -0.295 nan 4.320 nan 0.000 0.218 55 A C 1.880 179.513 177.584 0.081 0.000 1.175 55 A CA 2.763 54.836 52.037 0.061 0.000 0.628 55 A CB -0.734 18.334 19.000 0.113 0.000 0.814 55 A HN -0.248 7.893 8.150 -0.016 0.000 0.444 56 A N -1.353 121.493 122.820 0.043 0.000 1.873 56 A HA -0.305 nan 4.320 nan 0.000 0.215 56 A C 1.849 179.449 177.584 0.027 0.000 1.186 56 A CA 3.044 55.103 52.037 0.036 0.000 0.616 56 A CB -0.749 18.265 19.000 0.024 0.000 0.823 56 A HN -0.119 8.035 8.150 0.028 0.013 0.442 57 K N -1.411 118.996 120.400 0.012 0.000 2.032 57 K HA -0.306 nan 4.320 nan 0.000 0.209 57 K C 2.220 178.822 176.600 0.005 0.000 1.048 57 K CA 2.898 59.186 56.287 0.003 0.000 0.927 57 K CB -0.189 32.306 32.500 -0.009 0.000 0.712 57 K HN -0.581 7.673 8.250 0.006 0.000 0.441 58 V N -0.810 119.107 119.914 0.005 0.000 2.343 58 V HA -0.446 nan 4.120 nan 0.000 0.247 58 V C 2.228 178.358 176.094 0.059 0.000 1.051 58 V CA 4.644 66.951 62.300 0.012 0.000 1.036 58 V CB -0.911 30.886 31.823 -0.043 0.000 0.654 58 V HN -0.128 8.059 8.190 -0.005 0.000 0.451 59 N N -1.229 117.530 118.700 0.098 0.000 2.166 59 N HA -0.341 nan 4.740 nan 0.000 0.186 59 N C 1.784 177.307 175.510 0.021 0.000 1.019 59 N CA 3.473 56.569 53.050 0.077 0.000 0.856 59 N CB -0.483 38.048 38.487 0.073 0.000 0.993 59 N HN -0.078 8.365 8.380 0.104 0.000 0.426 60 E N 0.594 120.804 120.200 0.016 0.000 2.047 60 E HA -0.299 nan 4.350 nan 0.000 0.191 60 E C 2.719 179.312 176.600 -0.011 0.000 0.987 60 E CA 3.343 59.744 56.400 0.001 0.000 0.799 60 E CB -0.064 29.638 29.700 0.003 0.000 0.752 60 E HN -0.055 8.237 8.360 0.024 0.083 0.449 61 D N -0.107 120.286 120.400 -0.013 0.000 2.182 61 D HA -0.231 nan 4.640 nan 0.000 0.201 61 D C 1.930 178.199 176.300 -0.053 0.000 0.986 61 D CA 2.716 56.700 54.000 -0.025 0.000 0.847 61 D CB -0.175 40.612 40.800 -0.022 0.000 0.942 61 D HN 0.146 8.513 8.370 -0.004 0.000 0.467 62 L N -3.600 117.579 121.223 -0.073 0.000 2.591 62 L HA -0.037 nan 4.340 nan 0.000 0.228 62 L C 0.506 177.311 176.870 -0.108 0.000 1.133 62 L CA -0.024 54.722 54.840 -0.156 0.000 0.880 62 L CB 0.134 42.053 42.059 -0.234 0.000 1.033 62 L HN -0.394 7.704 8.230 -0.042 0.107 0.450 63 G N -1.846 106.921 108.800 -0.056 0.000 2.160 63 G HA2 -0.297 nan 3.960 nan 0.000 0.251 63 G HA3 -0.297 nan 3.960 nan 0.000 0.251 63 G C 0.236 175.119 174.900 -0.027 0.000 1.008 63 G CA 1.042 46.121 45.100 -0.035 0.000 0.724 63 G HN -0.235 7.822 8.290 -0.044 0.207 0.514 64 L N -3.875 117.332 121.223 -0.026 0.000 2.416 64 L HA 0.164 nan 4.340 nan 0.000 0.216 64 L C -1.045 175.820 176.870 -0.009 0.000 1.098 64 L CA 0.362 55.191 54.840 -0.019 0.000 0.840 64 L CB 0.872 42.918 42.059 -0.023 0.000 0.981 64 L HN 0.238 8.412 8.230 -0.029 0.039 0.462 65 L N -3.549 117.671 121.223 -0.004 0.000 2.401 65 L HA 0.247 nan 4.340 nan 0.000 0.266 65 L C -1.746 175.124 176.870 -0.000 0.000 0.991 65 L CA -1.320 53.520 54.840 0.000 0.000 0.818 65 L CB 3.195 45.259 42.059 0.008 0.000 1.321 65 L HN -0.862 7.365 8.230 -0.006 0.000 0.413 66 S N 2.821 118.521 115.700 0.000 0.000 2.564 66 S HA 0.077 nan 4.470 nan 0.000 0.278 66 S C 0.987 175.588 174.600 0.002 0.000 1.333 66 S CA -0.607 57.593 58.200 0.000 0.000 1.048 66 S CB 1.223 64.423 63.200 0.000 0.000 0.900 66 S HN 0.083 8.394 8.310 0.001 0.000 0.505 67 E N 6.545 126.746 120.200 0.001 0.000 2.097 67 E HA -0.476 nan 4.350 nan 0.000 0.196 67 E C 1.597 178.199 176.600 0.003 0.000 1.000 67 E CA 3.696 60.097 56.400 0.002 0.000 0.804 67 E CB -0.257 29.444 29.700 0.001 0.000 0.740 67 E HN 0.913 9.273 8.360 -0.000 0.000 0.454 68 E N -3.165 117.036 120.200 0.003 0.000 2.058 68 E HA -0.313 nan 4.350 nan 0.000 0.194 68 E C 2.425 179.028 176.600 0.005 0.000 0.997 68 E CA 2.800 59.202 56.400 0.004 0.000 0.801 68 E CB -0.729 28.973 29.700 0.003 0.000 0.746 68 E HN 0.587 8.937 8.360 0.002 0.010 0.450 69 K N -0.446 119.957 120.400 0.005 0.000 2.062 69 K HA -0.194 nan 4.320 nan 0.000 0.205 69 K C 2.325 178.930 176.600 0.009 0.000 1.051 69 K CA 2.450 58.741 56.287 0.007 0.000 0.941 69 K CB 0.008 32.512 32.500 0.006 0.000 0.719 69 K HN -0.815 7.437 8.250 0.004 0.000 0.440 70 A N -0.652 122.173 122.820 0.009 0.000 1.877 70 A HA -0.258 nan 4.320 nan 0.000 0.216 70 A C 2.007 179.598 177.584 0.011 0.000 1.186 70 A CA 3.242 55.286 52.037 0.011 0.000 0.620 70 A CB -0.850 18.156 19.000 0.010 0.000 0.822 70 A HN 0.280 8.435 8.150 0.007 0.000 0.443 71 S N -1.586 114.119 115.700 0.009 0.000 2.383 71 S HA -0.344 nan 4.470 nan 0.000 0.227 71 S C 2.010 176.617 174.600 0.012 0.000 1.026 71 S CA 2.948 61.153 58.200 0.009 0.000 0.981 71 S CB -0.058 63.146 63.200 0.007 0.000 0.818 71 S HN 0.201 8.516 8.310 0.007 0.000 0.472 72 A N 2.510 125.337 122.820 0.012 0.000 1.902 72 A HA -0.226 nan 4.320 nan 0.000 0.217 72 A C 1.939 179.533 177.584 0.018 0.000 1.181 72 A CA 2.802 54.847 52.037 0.014 0.000 0.623 72 A CB -0.752 18.254 19.000 0.011 0.000 0.818 72 A HN -0.528 7.628 8.150 0.010 0.000 0.443 73 I N -1.874 118.707 120.570 0.017 0.000 2.226 73 I HA -0.598 nan 4.170 nan 0.000 0.245 73 I C 2.188 178.319 176.117 0.024 0.000 1.100 73 I CA 4.045 65.358 61.300 0.021 0.000 1.374 73 I CB -0.309 37.704 38.000 0.021 0.000 1.057 73 I HN -0.094 8.125 8.210 0.015 0.000 0.413 74 R N -1.671 118.841 120.500 0.019 0.000 2.092 74 R HA -0.394 nan 4.340 nan 0.000 0.231 74 R C 2.337 178.650 176.300 0.021 0.000 1.119 74 R CA 3.754 59.864 56.100 0.016 0.000 0.970 74 R CB -0.448 29.858 30.300 0.010 0.000 0.864 74 R HN -0.258 8.022 8.270 0.016 0.000 0.440 75 Q N 0.007 119.821 119.800 0.024 0.000 2.079 75 Q HA -0.262 nan 4.340 nan 0.000 0.200 75 Q C 2.150 178.181 176.000 0.052 0.000 0.974 75 Q CA 3.050 58.872 55.803 0.031 0.000 0.840 75 Q CB -0.126 28.629 28.738 0.027 0.000 0.898 75 Q HN -0.078 8.205 8.270 0.021 0.000 0.430 76 A N -1.280 121.573 122.820 0.054 0.000 1.933 76 A HA -0.270 nan 4.320 nan 0.000 0.218 76 A C 1.867 179.512 177.584 0.103 0.000 1.175 76 A CA 2.747 54.831 52.037 0.078 0.000 0.628 76 A CB -0.844 18.178 19.000 0.035 0.000 0.814 76 A HN -0.093 8.081 8.150 0.040 0.000 0.444 77 A N -2.229 120.631 122.820 0.068 0.000 1.930 77 A HA -0.294 nan 4.320 nan 0.000 0.217 77 A C 1.845 179.453 177.584 0.040 0.000 1.175 77 A CA 3.002 55.075 52.037 0.059 0.000 0.627 77 A CB -0.679 18.339 19.000 0.030 0.000 0.815 77 A HN -0.072 8.013 8.150 0.050 0.095 0.443 78 D N -1.656 118.762 120.400 0.029 0.000 2.219 78 D HA -0.245 nan 4.640 nan 0.000 0.205 78 D C 2.589 178.895 176.300 0.011 0.000 0.970 78 D CA 3.295 57.297 54.000 0.003 0.000 0.851 78 D CB -0.400 40.402 40.800 0.004 0.000 0.943 78 D HN -0.067 8.234 8.370 0.034 0.089 0.488 79 E N -0.771 119.472 120.200 0.072 0.000 2.208 79 E HA -0.197 nan 4.350 nan 0.000 0.193 79 E C 2.090 178.746 176.600 0.094 0.000 0.988 79 E CA 2.779 59.226 56.400 0.079 0.000 0.828 79 E CB 0.093 29.914 29.700 0.201 0.000 0.763 79 E HN -0.488 7.810 8.360 0.096 0.120 0.478 80 V N 0.217 120.249 119.914 0.196 0.000 2.379 80 V HA -0.264 nan 4.120 nan 0.000 0.245 80 V C 2.492 178.561 176.094 -0.042 0.000 1.044 80 V CA 3.967 66.399 62.300 0.220 0.000 1.036 80 V CB -0.720 31.253 31.823 0.250 0.000 0.664 80 V HN -0.763 7.394 8.190 0.177 0.139 0.453 81 L N -0.286 120.809 121.223 -0.213 0.000 2.131 81 L HA -0.326 nan 4.340 nan 0.000 0.210 81 L C 1.527 178.209 176.870 -0.314 0.000 1.092 81 L CA 2.783 57.301 54.840 -0.537 0.000 0.759 81 L CB -0.482 41.388 42.059 -0.316 0.000 0.903 81 L HN -0.286 7.882 8.230 -0.104 0.000 0.435 82 A N -3.333 119.414 122.820 -0.123 0.000 2.252 82 A HA 0.020 nan 4.320 nan 0.000 0.207 82 A C 0.387 177.963 177.584 -0.014 0.000 1.194 82 A CA -0.083 51.922 52.037 -0.054 0.000 0.809 82 A CB -0.124 18.851 19.000 -0.043 0.000 0.814 82 A HN -0.221 7.782 8.150 -0.093 0.091 0.482 83 G N -1.700 107.117 108.800 0.027 0.000 2.153 83 G HA2 -0.425 nan 3.960 nan 0.000 0.252 83 G HA3 -0.425 nan 3.960 nan 0.000 0.252 83 G C 1.191 176.098 174.900 0.012 0.000 0.994 83 G CA 0.544 45.696 45.100 0.086 0.000 0.698 83 G HN -0.248 7.834 8.290 0.002 0.209 0.521 84 Q N -0.241 119.496 119.800 -0.105 0.000 2.378 84 Q HA -0.183 nan 4.340 nan 0.000 0.205 84 Q C 0.566 176.314 176.000 -0.419 0.000 0.954 84 Q CA 1.576 57.191 55.803 -0.313 0.000 0.901 84 Q CB 0.550 28.987 28.738 -0.500 0.000 0.981 84 Q HN -0.039 8.129 8.270 -0.089 0.048 0.483 85 H N -3.509 115.657 119.070 0.159 0.000 2.549 85 H HA 0.352 nan 4.556 nan 0.000 0.253 85 H C -0.229 175.274 175.328 0.292 0.000 1.170 85 H CA -1.579 54.579 56.048 0.183 0.000 0.943 85 H CB 0.106 29.980 29.762 0.187 0.000 1.849 85 H HN -0.209 8.040 8.280 0.042 0.056 0.603 86 D N 0.952 121.549 120.400 0.328 0.000 2.149 86 D HA -0.358 nan 4.640 nan 0.000 0.198 86 D C 0.977 177.469 176.300 0.320 0.000 0.990 86 D CA 3.655 57.859 54.000 0.341 0.000 0.839 86 D CB -0.435 40.486 40.800 0.203 0.000 0.948 86 D HN -0.043 8.458 8.370 0.217 0.000 0.460 87 D N -4.275 116.259 120.400 0.223 0.000 2.378 87 D HA -0.145 nan 4.640 nan 0.000 0.227 87 D C 1.128 177.555 176.300 0.212 0.000 1.012 87 D CA 1.610 55.725 54.000 0.192 0.000 0.905 87 D CB -0.927 39.958 40.800 0.141 0.000 0.895 87 D HN 0.417 8.888 8.370 0.195 0.016 0.532 88 E N -0.963 119.294 120.200 0.096 0.000 2.489 88 E HA 0.052 nan 4.350 nan 0.000 0.193 88 E C -0.860 175.433 176.600 -0.512 0.000 1.057 88 E CA -0.278 56.047 56.400 -0.125 0.000 0.866 88 E CB 0.059 29.511 29.700 -0.414 0.000 0.916 88 E HN -0.217 8.033 8.360 0.149 0.200 0.500 89 F N -1.234 118.813 119.950 0.161 0.000 2.564 89 F HA 0.319 nan 4.527 nan 0.000 0.368 89 F C -2.330 173.435 175.800 -0.059 0.000 1.127 89 F CA -2.879 55.133 58.000 0.021 0.000 1.170 89 F CB 0.652 39.678 39.000 0.044 0.000 1.397 89 F HN -0.938 7.412 8.300 0.187 0.061 0.493 90 P HA 0.100 nan 4.420 nan 0.000 0.261 90 P C -1.464 175.750 177.300 -0.144 0.000 1.268 90 P CA -0.071 62.933 63.100 -0.160 0.000 0.833 90 P CB 0.352 31.830 31.700 -0.370 0.000 1.231 91 L N -0.542 120.601 121.223 -0.134 0.000 2.416 91 L HA -0.097 nan 4.340 nan 0.000 0.272 91 L C -0.477 176.340 176.870 -0.089 0.000 1.161 91 L CA -0.286 54.485 54.840 -0.114 0.000 0.845 91 L CB -0.103 41.879 42.059 -0.128 0.000 1.119 91 L HN -0.358 7.746 8.230 -0.104 0.063 0.464 92 A N 1.896 124.673 122.820 -0.072 0.000 2.366 92 A HA -0.001 nan 4.320 nan 0.000 0.249 92 A C 0.173 177.598 177.584 -0.265 0.000 1.084 92 A CA 0.043 52.024 52.037 -0.094 0.000 0.794 92 A CB 0.594 19.633 19.000 0.064 0.000 1.034 92 A HN -0.048 8.082 8.150 -0.034 0.000 0.491 93 I N -1.667 118.584 120.570 -0.532 0.000 2.286 93 I HA -0.195 nan 4.170 nan 0.000 0.248 93 I C 1.244 176.906 176.117 -0.759 0.000 1.115 93 I CA 1.841 62.661 61.300 -0.799 0.000 1.392 93 I CB 0.458 37.618 38.000 -1.399 0.000 1.065 93 I HN 0.016 7.912 8.210 -0.524 0.000 0.418 94 W N -2.154 119.073 121.300 -0.121 0.000 1.564 94 W HA -0.136 nan 4.660 nan 0.000 0.480 94 W C -1.042 175.383 176.519 -0.157 0.000 0.699 94 W CA -0.976 56.310 57.345 -0.098 0.000 1.985 94 W CB -2.694 26.749 29.460 -0.027 0.000 1.738 94 W HN -0.166 7.447 8.180 -0.908 0.022 0.218 95 Q N -0.331 119.288 119.800 -0.303 0.000 3.198 95 Q HA 0.225 nan 4.340 nan 0.000 0.224 95 Q C -0.840 174.749 176.000 -0.685 0.000 1.112 95 Q CA -1.108 54.147 55.803 -0.913 0.000 0.592 95 Q CB 1.149 29.379 28.738 -0.847 0.000 4.128 95 Q HN -0.248 7.793 8.270 -0.300 0.050 0.328 96 T N -4.849 109.279 114.554 -0.708 0.000 2.870 96 T HA 0.037 nan 4.350 nan 0.000 0.300 96 T C 1.788 176.282 174.700 -0.342 0.000 0.989 96 T CA -0.687 61.182 62.100 -0.385 0.000 1.139 96 T CB 0.173 68.860 68.868 -0.300 0.000 0.920 96 T HN -0.161 7.584 8.240 -0.824 0.000 0.537 97 G N 2.802 111.446 108.800 -0.260 0.000 2.516 97 G HA2 -0.340 nan 3.960 nan 0.000 0.221 97 G HA3 -0.340 nan 3.960 nan 0.000 0.221 97 G C 0.262 175.034 174.900 -0.212 0.000 1.107 97 G CA 2.256 47.210 45.100 -0.242 0.000 0.747 97 G HN 0.658 8.814 8.290 -0.223 0.000 0.567 98 S N -2.290 113.264 115.700 -0.244 0.000 2.524 98 S HA -0.062 nan 4.470 nan 0.000 0.216 98 S C 0.810 175.089 174.600 -0.535 0.000 0.987 98 S CA -0.721 57.342 58.200 -0.227 0.000 0.909 98 S CB 0.090 63.209 63.200 -0.135 0.000 0.781 98 S HN -0.482 7.625 8.310 -0.246 0.055 0.521 99 G N 1.070 109.398 108.800 -0.787 0.000 2.147 99 G HA2 -0.368 nan 3.960 nan 0.000 0.244 99 G HA3 -0.368 nan 3.960 nan 0.000 0.244 99 G C 0.564 175.062 174.900 -0.670 0.000 1.005 99 G CA 0.557 44.872 45.100 -1.308 0.000 0.713 99 G HN 0.188 7.962 8.290 -0.589 0.163 0.515 100 T N 3.124 117.442 114.554 -0.393 0.000 2.720 100 T HA -0.492 nan 4.350 nan 0.000 0.268 100 T C 1.839 176.436 174.700 -0.171 0.000 1.037 100 T CA 5.194 67.169 62.100 -0.209 0.000 1.144 100 T CB -0.330 68.451 68.868 -0.145 0.000 0.864 100 T HN -0.426 7.538 8.240 -0.393 0.040 0.444 101 Q N 0.752 120.418 119.800 -0.223 0.000 2.002 101 Q HA -0.343 nan 4.340 nan 0.000 0.204 101 Q C 2.287 178.220 176.000 -0.113 0.000 0.988 101 Q CA 3.138 58.842 55.803 -0.165 0.000 0.843 101 Q CB -0.560 28.032 28.738 -0.243 0.000 0.908 101 Q HN -0.373 7.788 8.270 -0.305 -0.074 0.420 102 S N 0.454 116.068 115.700 -0.143 0.000 2.400 102 S HA -0.414 nan 4.470 nan 0.000 0.232 102 S C 2.195 176.824 174.600 0.047 0.000 1.025 102 S CA 2.930 61.117 58.200 -0.021 0.000 0.993 102 S CB -0.345 62.860 63.200 0.009 0.000 0.808 102 S HN -0.507 7.908 8.310 -0.250 -0.255 0.478 103 N N 2.092 120.797 118.700 0.007 0.000 2.188 103 N HA -0.207 nan 4.740 nan 0.000 0.184 103 N C 1.980 177.521 175.510 0.051 0.000 1.018 103 N CA 2.891 55.974 53.050 0.055 0.000 0.858 103 N CB -0.043 38.464 38.487 0.033 0.000 0.989 103 N HN -0.272 7.960 8.380 -0.084 0.098 0.426 104 M N -0.542 119.072 119.600 0.023 0.000 2.254 104 M HA -0.201 nan 4.480 nan 0.000 0.265 104 M C 2.062 178.398 176.300 0.061 0.000 1.066 104 M CA 1.482 56.803 55.300 0.033 0.000 1.123 104 M CB -1.149 31.459 32.600 0.014 0.000 1.388 104 M HN 0.001 8.189 8.290 -0.011 0.095 0.425 105 N N 1.142 119.882 118.700 0.068 0.000 2.120 105 N HA -0.307 nan 4.740 nan 0.000 0.188 105 N C 2.066 177.697 175.510 0.202 0.000 1.024 105 N CA 3.305 56.417 53.050 0.104 0.000 0.852 105 N CB -0.068 38.490 38.487 0.118 0.000 1.003 105 N HN 0.216 8.538 8.380 0.045 0.085 0.424 106 M N -0.150 119.604 119.600 0.257 0.000 2.132 106 M HA -0.238 nan 4.480 nan 0.000 0.263 106 M C 1.726 178.128 176.300 0.169 0.000 1.065 106 M CA 2.627 58.108 55.300 0.302 0.000 1.122 106 M CB -0.281 32.440 32.600 0.201 0.000 1.365 106 M HN -0.294 8.118 8.290 0.203 0.000 0.411 107 N N -0.337 118.430 118.700 0.112 0.000 2.166 107 N HA -0.323 nan 4.740 nan 0.000 0.186 107 N C 2.747 178.294 175.510 0.061 0.000 1.019 107 N CA 3.229 56.323 53.050 0.073 0.000 0.856 107 N CB -0.503 38.017 38.487 0.055 0.000 0.993 107 N HN -0.252 8.193 8.380 0.108 0.000 0.426 108 E N 0.914 121.155 120.200 0.069 0.000 2.046 108 E HA -0.212 nan 4.350 nan 0.000 0.190 108 E C 2.313 178.933 176.600 0.034 0.000 0.982 108 E CA 3.093 59.527 56.400 0.057 0.000 0.800 108 E CB 0.184 29.936 29.700 0.086 0.000 0.756 108 E HN -0.172 8.238 8.360 0.084 0.000 0.449 109 V N 1.185 121.119 119.914 0.034 0.000 2.295 109 V HA -0.328 nan 4.120 nan 0.000 0.246 109 V C 2.276 178.338 176.094 -0.053 0.000 1.049 109 V CA 4.667 66.939 62.300 -0.047 0.000 1.024 109 V CB -0.857 30.896 31.823 -0.118 0.000 0.648 109 V HN -0.157 8.076 8.190 0.071 0.000 0.447 110 L N -1.745 119.489 121.223 0.017 0.000 2.093 110 L HA -0.277 nan 4.340 nan 0.000 0.208 110 L C 1.954 178.825 176.870 0.000 0.000 1.085 110 L CA 2.757 57.606 54.840 0.015 0.000 0.755 110 L CB -1.185 40.906 42.059 0.054 0.000 0.904 110 L HN 0.058 8.328 8.230 0.066 0.000 0.435 111 A N -0.503 122.322 122.820 0.007 0.000 1.873 111 A HA -0.339 nan 4.320 nan 0.000 0.215 111 A C 2.225 179.802 177.584 -0.013 0.000 1.186 111 A CA 3.332 55.371 52.037 0.003 0.000 0.616 111 A CB -0.752 18.255 19.000 0.010 0.000 0.823 111 A HN -0.017 8.068 8.150 0.018 0.077 0.442 112 N N -1.393 117.292 118.700 -0.026 0.000 2.084 112 N HA -0.300 nan 4.740 nan 0.000 0.190 112 N C 2.344 177.825 175.510 -0.049 0.000 1.030 112 N CA 3.002 56.026 53.050 -0.042 0.000 0.849 112 N CB -0.315 38.135 38.487 -0.061 0.000 1.012 112 N HN -0.045 8.322 8.380 -0.022 0.000 0.423 113 R N 0.491 120.950 120.500 -0.069 0.000 2.092 113 R HA -0.197 nan 4.340 nan 0.000 0.231 113 R C 1.658 177.946 176.300 -0.021 0.000 1.119 113 R CA 2.486 58.549 56.100 -0.061 0.000 0.970 113 R CB -0.438 29.789 30.300 -0.121 0.000 0.864 113 R HN -0.191 8.028 8.270 -0.085 0.000 0.440 114 A N -1.993 120.818 122.820 -0.014 0.000 2.019 114 A HA -0.183 nan 4.320 nan 0.000 0.219 114 A C 2.141 179.724 177.584 -0.001 0.000 1.164 114 A CA 2.775 54.812 52.037 0.000 0.000 0.644 114 A CB -1.246 17.756 19.000 0.004 0.000 0.805 114 A HN -0.123 8.014 8.150 -0.021 0.000 0.449 115 S N -1.232 114.463 115.700 -0.008 0.000 2.345 115 S HA -0.346 nan 4.470 nan 0.000 0.219 115 S C 2.076 176.672 174.600 -0.007 0.000 1.031 115 S CA 3.246 61.441 58.200 -0.008 0.000 0.984 115 S CB -0.194 62.998 63.200 -0.012 0.000 0.874 115 S HN -0.406 7.760 8.310 -0.013 0.136 0.451 116 E N 2.284 122.478 120.200 -0.009 0.000 2.058 116 E HA -0.374 nan 4.350 nan 0.000 0.194 116 E C 2.866 179.467 176.600 0.002 0.000 0.997 116 E CA 2.928 59.325 56.400 -0.005 0.000 0.801 116 E CB -0.108 29.588 29.700 -0.006 0.000 0.746 116 E HN -0.753 7.598 8.360 -0.015 0.000 0.450 117 L N -2.018 119.209 121.223 0.007 0.000 2.263 117 L HA -0.231 nan 4.340 nan 0.000 0.216 117 L C 0.982 177.857 176.870 0.007 0.000 1.111 117 L CA 2.599 57.445 54.840 0.011 0.000 0.773 117 L CB -0.134 41.935 42.059 0.017 0.000 0.906 117 L HN -0.087 8.146 8.230 0.006 0.000 0.439 118 L N -2.752 118.474 121.223 0.004 0.000 2.848 118 L HA 0.114 nan 4.340 nan 0.000 0.240 118 L C 0.131 177.001 176.870 0.001 0.000 1.232 118 L CA -0.647 54.194 54.840 0.002 0.000 1.031 118 L CB -0.113 41.947 42.059 0.002 0.000 1.338 118 L HN -0.469 7.586 8.230 0.002 0.177 0.509 119 G N -1.546 107.255 108.800 0.000 0.000 2.189 119 G HA2 -0.382 nan 3.960 nan 0.000 0.267 119 G HA3 -0.382 nan 3.960 nan 0.000 0.267 119 G C -0.088 174.810 174.900 -0.004 0.000 0.975 119 G CA 0.420 45.519 45.100 -0.001 0.000 0.644 119 G HN 0.167 8.304 8.290 0.002 0.154 0.537 120 G N -1.479 107.318 108.800 -0.004 0.000 2.510 120 G HA2 0.252 nan 3.960 nan 0.000 0.280 120 G HA3 0.252 nan 3.960 nan 0.000 0.280 120 G C -2.135 172.758 174.900 -0.011 0.000 1.386 120 G CA -1.415 43.681 45.100 -0.007 0.000 1.047 120 G HN -0.379 7.829 8.290 -0.003 0.080 0.527 121 V N -1.461 118.445 119.914 -0.014 0.000 3.074 121 V HA 0.506 nan 4.120 nan 0.000 0.314 121 V C -1.748 174.331 176.094 -0.025 0.000 1.117 121 V CA -3.293 58.996 62.300 -0.020 0.000 1.014 121 V CB 4.032 35.843 31.823 -0.020 0.000 1.057 121 V HN 0.002 8.185 8.190 -0.013 0.000 0.438 122 R N 1.981 122.460 120.500 -0.035 0.000 2.500 122 R HA 0.481 nan 4.340 nan 0.000 0.275 122 R C 0.249 176.523 176.300 -0.043 0.000 1.051 122 R CA -0.554 55.519 56.100 -0.046 0.000 1.088 122 R CB 0.771 31.031 30.300 -0.067 0.000 1.063 122 R HN 0.464 8.711 8.270 -0.037 0.000 0.511 123 G N 2.616 111.392 108.800 -0.040 0.000 2.466 123 G HA2 -0.252 nan 3.960 nan 0.000 0.316 123 G HA3 -0.252 nan 3.960 nan 0.000 0.316 123 G C 0.263 175.152 174.900 -0.018 0.000 1.270 123 G CA -0.521 44.559 45.100 -0.032 0.000 0.982 123 G HN 0.243 8.880 8.290 -0.039 -0.370 0.506 124 M N 0.396 119.988 119.600 -0.013 0.000 2.446 124 M HA -0.243 nan 4.480 nan 0.000 0.263 124 M C 0.841 177.136 176.300 -0.007 0.000 1.066 124 M CA 0.900 56.197 55.300 -0.007 0.000 1.087 124 M CB -0.876 31.722 32.600 -0.004 0.000 1.406 124 M HN 0.661 8.941 8.290 -0.015 0.000 0.459 125 E N -2.122 118.072 120.200 -0.011 0.000 2.479 125 E HA -0.031 nan 4.350 nan 0.000 0.193 125 E C -0.297 176.297 176.600 -0.009 0.000 1.049 125 E CA -0.744 55.651 56.400 -0.009 0.000 0.870 125 E CB 0.384 30.077 29.700 -0.011 0.000 0.944 125 E HN -0.092 8.203 8.360 -0.014 0.056 0.492 126 R N -1.096 119.398 120.500 -0.010 0.000 2.698 126 R HA -0.153 nan 4.340 nan 0.000 0.266 126 R C 0.317 176.614 176.300 -0.006 0.000 1.026 126 R CA 0.652 56.746 56.100 -0.010 0.000 1.102 126 R CB 0.148 30.441 30.300 -0.011 0.000 0.978 126 R HN -0.469 7.615 8.270 -0.011 0.179 0.436 127 K N 0.384 120.781 120.400 -0.005 0.000 2.361 127 K HA 0.008 nan 4.320 nan 0.000 0.196 127 K C -1.035 175.564 176.600 -0.001 0.000 1.039 127 K CA 1.324 57.610 56.287 -0.003 0.000 1.001 127 K CB 0.685 33.183 32.500 -0.002 0.000 0.795 127 K HN 0.274 8.520 8.250 -0.007 0.000 0.495 128 V N -2.089 117.824 119.914 -0.001 0.000 2.409 128 V HA 0.175 nan 4.120 nan 0.000 0.291 128 V C -0.828 175.268 176.094 0.004 0.000 1.020 128 V CA -1.376 60.926 62.300 0.002 0.000 0.848 128 V CB 0.103 31.928 31.823 0.003 0.000 0.990 128 V HN -0.510 7.643 8.190 -0.003 0.035 0.430 129 N N 7.893 126.596 118.700 0.005 0.000 2.422 129 N HA 0.365 nan 4.740 nan 0.000 0.264 129 N C 0.106 175.622 175.510 0.011 0.000 1.063 129 N CA -2.489 50.565 53.050 0.007 0.000 0.959 129 N CB 2.901 41.392 38.487 0.005 0.000 1.087 129 N HN 0.343 9.067 8.380 0.005 -0.341 0.483 130 P HA -0.219 nan 4.420 nan 0.000 0.215 130 P C 0.985 178.298 177.300 0.020 0.000 1.157 130 P CA 2.777 65.890 63.100 0.022 0.000 0.868 130 P CB 0.672 32.389 31.700 0.028 0.000 0.788 131 N N -2.164 116.546 118.700 0.016 0.000 2.148 131 N HA -0.201 nan 4.740 nan 0.000 0.186 131 N C 1.078 176.592 175.510 0.006 0.000 1.031 131 N CA 3.240 56.297 53.050 0.012 0.000 0.848 131 N CB 0.055 38.548 38.487 0.010 0.000 1.005 131 N HN -0.409 8.105 8.380 0.015 -0.125 0.427 132 D N -2.264 118.138 120.400 0.004 0.000 2.178 132 D HA -0.106 nan 4.640 nan 0.000 0.202 132 D C 0.647 176.948 176.300 0.001 0.000 0.974 132 D CA 2.410 56.410 54.000 0.000 0.000 0.841 132 D CB 0.295 41.095 40.800 -0.000 0.000 0.953 132 D HN -0.042 8.762 8.370 0.006 -0.431 0.478 133 D N -1.466 118.938 120.400 0.006 0.000 2.735 133 D HA 0.081 nan 4.640 nan 0.000 0.267 133 D C 2.686 178.995 176.300 0.015 0.000 1.081 133 D CA 1.905 55.910 54.000 0.008 0.000 0.980 133 D CB 1.402 42.207 40.800 0.009 0.000 1.129 133 D HN -0.123 8.142 8.370 0.008 0.110 0.459 134 V N 0.348 120.273 119.914 0.020 0.000 2.407 134 V HA -0.314 nan 4.120 nan 0.000 0.248 134 V C 1.173 177.286 176.094 0.031 0.000 1.055 134 V CA 3.371 65.688 62.300 0.028 0.000 1.049 134 V CB -0.356 31.486 31.823 0.033 0.000 0.662 134 V HN -0.457 7.743 8.190 0.018 0.000 0.455 135 N N -3.264 115.450 118.700 0.024 0.000 2.276 135 N HA 0.042 nan 4.740 nan 0.000 0.212 135 N C -1.289 174.225 175.510 0.006 0.000 1.127 135 N CA -0.563 52.500 53.050 0.021 0.000 0.834 135 N CB 0.767 39.265 38.487 0.018 0.000 1.014 135 N HN -0.470 7.906 8.380 0.020 0.016 0.491 136 K N 0.933 121.335 120.400 0.003 0.000 2.412 136 K HA -0.137 nan 4.320 nan 0.000 0.281 136 K C -0.884 175.678 176.600 -0.064 0.000 1.027 136 K CA 1.597 57.870 56.287 -0.024 0.000 0.989 136 K CB 0.239 32.730 32.500 -0.016 0.000 0.935 136 K HN -0.834 7.248 8.250 0.014 0.176 0.475 137 S N -0.872 114.744 115.700 -0.140 0.000 3.261 137 S HA -0.338 nan 4.470 nan 0.000 0.287 137 S C -0.774 173.671 174.600 -0.258 0.000 1.281 137 S CA 1.409 59.416 58.200 -0.321 0.000 1.053 137 S CB -0.692 62.113 63.200 -0.658 0.000 1.251 137 S HN 0.416 8.662 8.310 -0.106 0.000 0.659 138 Q N -2.521 117.228 119.800 -0.085 0.000 2.814 138 Q HA 0.531 nan 4.340 nan 0.000 0.283 138 Q C -1.476 174.518 176.000 -0.009 0.000 1.071 138 Q CA -1.636 54.161 55.803 -0.009 0.000 0.849 138 Q CB 2.882 31.646 28.738 0.043 0.000 1.437 138 Q HN -0.675 7.510 8.270 -0.064 0.047 0.492 139 S N -1.852 113.855 115.700 0.012 0.000 2.537 139 S HA 0.276 nan 4.470 nan 0.000 0.271 139 S C -0.291 174.322 174.600 0.021 0.000 1.148 139 S CA -1.151 57.054 58.200 0.008 0.000 0.868 139 S CB 1.810 65.012 63.200 0.002 0.000 1.115 139 S HN 0.006 8.446 8.310 0.028 -0.114 0.461 140 S N 5.058 120.767 115.700 0.014 0.000 2.400 140 S HA -0.350 nan 4.470 nan 0.000 0.232 140 S C 1.867 176.489 174.600 0.037 0.000 1.025 140 S CA 3.640 61.852 58.200 0.019 0.000 0.993 140 S CB -0.195 62.989 63.200 -0.028 0.000 0.808 140 S HN 0.624 8.936 8.310 0.004 0.000 0.478 141 N N -1.115 117.598 118.700 0.021 0.000 2.166 141 N HA -0.262 nan 4.740 nan 0.000 0.186 141 N C 0.619 176.147 175.510 0.029 0.000 1.019 141 N CA 2.481 55.547 53.050 0.027 0.000 0.856 141 N CB -0.207 38.291 38.487 0.019 0.000 0.993 141 N HN -0.320 8.042 8.380 0.011 0.024 0.426 142 D N -4.589 115.823 120.400 0.020 0.000 2.392 142 D HA 0.028 nan 4.640 nan 0.000 0.206 142 D C 1.357 177.657 176.300 -0.000 0.000 1.046 142 D CA 0.521 54.520 54.000 -0.001 0.000 0.865 142 D CB 0.950 41.748 40.800 -0.003 0.000 0.969 142 D HN -0.645 7.642 8.370 0.023 0.097 0.509 143 V N 0.881 120.815 119.914 0.034 0.000 2.346 143 V HA -0.226 nan 4.120 nan 0.000 0.244 143 V C 1.338 177.454 176.094 0.037 0.000 1.037 143 V CA 4.501 66.820 62.300 0.032 0.000 1.029 143 V CB -0.527 31.331 31.823 0.059 0.000 0.663 143 V HN -0.149 8.070 8.190 0.048 0.000 0.454 144 F N -0.175 119.733 119.950 -0.071 0.000 2.095 144 F HA -0.176 nan 4.527 nan 0.000 0.298 144 F C -1.581 174.156 175.800 -0.105 0.000 1.104 144 F CA 5.748 63.699 58.000 -0.081 0.000 1.232 144 F CB -2.641 36.314 39.000 -0.074 0.000 0.987 144 F HN -0.375 8.061 8.300 0.227 0.000 0.475 145 P HA -0.209 nan 4.420 nan 0.000 0.216 145 P C 1.438 178.525 177.300 -0.356 0.000 1.150 145 P CA 3.310 66.272 63.100 -0.230 0.000 0.837 145 P CB -0.495 31.100 31.700 -0.175 0.000 0.786 146 T N -0.132 114.267 114.554 -0.258 0.000 2.708 146 T HA -0.266 nan 4.350 nan 0.000 0.266 146 T C 1.640 176.191 174.700 -0.248 0.000 1.037 146 T CA 5.114 67.068 62.100 -0.244 0.000 1.146 146 T CB -0.586 68.174 68.868 -0.180 0.000 0.865 146 T HN -0.719 7.408 8.240 -0.178 0.006 0.435 147 A N 1.322 123.983 122.820 -0.266 0.000 1.940 147 A HA -0.302 nan 4.320 nan 0.000 0.219 147 A C 1.882 179.289 177.584 -0.296 0.000 1.176 147 A CA 3.277 55.145 52.037 -0.281 0.000 0.631 147 A CB -0.944 17.865 19.000 -0.319 0.000 0.814 147 A HN 0.012 8.015 8.150 -0.245 0.000 0.446 148 M N -2.257 117.113 119.600 -0.383 0.000 2.117 148 M HA -0.491 nan 4.480 nan 0.000 0.262 148 M C 2.456 178.717 176.300 -0.064 0.000 1.065 148 M CA 4.298 59.427 55.300 -0.285 0.000 1.114 148 M CB -0.099 32.312 32.600 -0.314 0.000 1.361 148 M HN -0.077 7.840 8.290 -0.475 0.088 0.408 149 H N -0.989 117.959 119.070 -0.203 0.000 2.395 149 H HA -0.127 nan 4.556 nan 0.000 0.299 149 H C 2.500 177.846 175.328 0.030 0.000 1.070 149 H CA 2.984 58.973 56.048 -0.099 0.000 1.356 149 H CB -0.558 29.177 29.762 -0.046 0.000 1.401 149 H HN -0.496 7.666 8.280 -0.047 0.091 0.524 150 V N 0.070 119.999 119.914 0.025 0.000 2.307 150 V HA -0.431 nan 4.120 nan 0.000 0.245 150 V C 1.740 177.901 176.094 0.110 0.000 1.045 150 V CA 4.734 67.027 62.300 -0.011 0.000 1.024 150 V CB -1.151 30.493 31.823 -0.299 0.000 0.651 150 V HN 0.012 8.156 8.190 -0.077 0.000 0.449 151 A N -1.782 121.043 122.820 0.008 0.000 1.902 151 A HA -0.350 nan 4.320 nan 0.000 0.217 151 A C 1.792 179.414 177.584 0.062 0.000 1.181 151 A CA 3.382 55.429 52.037 0.017 0.000 0.623 151 A CB -0.836 18.138 19.000 -0.043 0.000 0.818 151 A HN 0.027 8.143 8.150 -0.058 0.000 0.443 152 A N -1.011 121.828 122.820 0.031 0.000 1.858 152 A HA -0.238 nan 4.320 nan 0.000 0.216 152 A C 1.800 179.441 177.584 0.094 0.000 1.190 152 A CA 2.843 54.908 52.037 0.046 0.000 0.617 152 A CB -0.668 18.157 19.000 -0.291 0.000 0.827 152 A HN -0.219 7.922 8.150 -0.014 0.000 0.443 153 L N -1.286 119.981 121.223 0.072 0.000 2.017 153 L HA -0.301 nan 4.340 nan 0.000 0.208 153 L C 1.896 178.796 176.870 0.050 0.000 1.073 153 L CA 2.972 57.837 54.840 0.040 0.000 0.745 153 L CB -0.156 41.901 42.059 -0.004 0.000 0.894 153 L HN 0.003 8.184 8.230 0.098 0.108 0.432 154 L N -2.853 118.440 121.223 0.117 0.000 2.093 154 L HA -0.445 nan 4.340 nan 0.000 0.208 154 L C 1.959 178.867 176.870 0.065 0.000 1.085 154 L CA 3.198 58.093 54.840 0.090 0.000 0.755 154 L CB -0.976 41.160 42.059 0.128 0.000 0.904 154 L HN -0.187 8.157 8.230 0.190 0.000 0.435 155 A N -0.275 122.592 122.820 0.079 0.000 1.898 155 A HA -0.285 nan 4.320 nan 0.000 0.216 155 A C 2.011 179.626 177.584 0.052 0.000 1.181 155 A CA 3.176 55.253 52.037 0.066 0.000 0.620 155 A CB -0.873 18.182 19.000 0.091 0.000 0.819 155 A HN -0.164 8.045 8.150 0.098 0.000 0.442 156 L N -2.618 118.646 121.223 0.070 0.000 2.056 156 L HA -0.447 nan 4.340 nan 0.000 0.207 156 L C 2.403 179.278 176.870 0.009 0.000 1.078 156 L CA 3.235 58.100 54.840 0.042 0.000 0.749 156 L CB -0.403 41.697 42.059 0.068 0.000 0.901 156 L HN -0.226 8.062 8.230 0.096 0.000 0.433 157 R N -1.202 119.300 120.500 0.002 0.000 2.062 157 R HA -0.250 nan 4.340 nan 0.000 0.229 157 R C 2.241 178.536 176.300 -0.009 0.000 1.128 157 R CA 3.336 59.426 56.100 -0.016 0.000 0.960 157 R CB 0.041 30.319 30.300 -0.037 0.000 0.855 157 R HN -0.009 8.268 8.270 0.011 0.000 0.432 158 K N -3.390 117.013 120.400 0.005 0.000 2.243 158 K HA -0.125 nan 4.320 nan 0.000 0.201 158 K C 1.385 177.988 176.600 0.006 0.000 1.051 158 K CA 2.294 58.586 56.287 0.008 0.000 0.970 158 K CB 0.514 33.026 32.500 0.021 0.000 0.755 158 K HN -0.070 8.079 8.250 0.014 0.110 0.465 159 Q N -2.312 117.492 119.800 0.006 0.000 2.622 159 Q HA 0.047 nan 4.340 nan 0.000 0.208 159 Q C 1.569 177.564 176.000 -0.008 0.000 0.911 159 Q CA 1.803 57.606 55.803 0.001 0.000 0.893 159 Q CB 1.207 29.947 28.738 0.003 0.000 1.124 159 Q HN -0.347 7.929 8.270 0.010 0.000 0.634 160 L N 1.432 122.648 121.223 -0.012 0.000 1.970 160 L HA -0.285 nan 4.340 nan 0.000 0.212 160 L C 1.810 178.666 176.870 -0.023 0.000 1.071 160 L CA 3.160 57.985 54.840 -0.025 0.000 0.751 160 L CB -0.262 41.775 42.059 -0.036 0.000 0.889 160 L HN -0.464 7.763 8.230 -0.005 0.000 0.432 161 I N -2.119 118.438 120.570 -0.021 0.000 2.163 161 I HA -0.380 nan 4.170 nan 0.000 0.243 161 I C -1.067 175.037 176.117 -0.021 0.000 1.085 161 I CA 6.069 67.354 61.300 -0.025 0.000 1.347 161 I CB -2.885 35.097 38.000 -0.030 0.000 1.044 161 I HN 0.136 8.335 8.210 -0.017 0.000 0.408 162 P HA -0.230 nan 4.420 nan 0.000 0.215 162 P C 1.816 179.110 177.300 -0.010 0.000 1.157 162 P CA 3.109 66.201 63.100 -0.014 0.000 0.868 162 P CB -0.494 31.200 31.700 -0.011 0.000 0.788 163 Q N -2.672 117.123 119.800 -0.008 0.000 2.124 163 Q HA -0.322 nan 4.340 nan 0.000 0.202 163 Q C 2.714 178.716 176.000 0.003 0.000 0.977 163 Q CA 2.769 58.571 55.803 -0.002 0.000 0.850 163 Q CB -0.682 28.055 28.738 -0.002 0.000 0.901 163 Q HN -0.619 7.646 8.270 -0.009 0.000 0.429 164 L N 0.533 121.753 121.223 -0.005 0.000 2.017 164 L HA -0.366 nan 4.340 nan 0.000 0.208 164 L C 1.692 178.564 176.870 0.004 0.000 1.073 164 L CA 3.100 57.939 54.840 -0.002 0.000 0.745 164 L CB -0.414 41.636 42.059 -0.014 0.000 0.894 164 L HN 0.113 8.256 8.230 -0.012 0.080 0.432 165 K N -1.477 118.919 120.400 -0.006 0.000 2.032 165 K HA -0.414 nan 4.320 nan 0.000 0.209 165 K C 2.354 178.954 176.600 0.000 0.000 1.048 165 K CA 3.928 60.211 56.287 -0.008 0.000 0.927 165 K CB -0.412 32.078 32.500 -0.017 0.000 0.712 165 K HN 0.092 8.335 8.250 -0.012 0.000 0.441 166 T N 3.049 117.603 114.554 0.001 0.000 2.684 166 T HA -0.286 nan 4.350 nan 0.000 0.267 166 T C 2.051 176.761 174.700 0.015 0.000 1.036 166 T CA 4.830 66.930 62.100 0.002 0.000 1.148 166 T CB -0.416 68.450 68.868 -0.003 0.000 0.863 166 T HN -0.224 8.015 8.240 -0.002 0.000 0.436 167 L N -0.298 120.945 121.223 0.033 0.000 2.083 167 L HA -0.322 nan 4.340 nan 0.000 0.209 167 L C 1.408 178.323 176.870 0.075 0.000 1.083 167 L CA 3.293 58.174 54.840 0.068 0.000 0.752 167 L CB -0.306 41.814 42.059 0.102 0.000 0.899 167 L HN -0.076 8.172 8.230 0.029 0.000 0.433 168 T N 2.228 116.814 114.554 0.055 0.000 2.777 168 T HA -0.367 nan 4.350 nan 0.000 0.266 168 T C 2.152 176.875 174.700 0.038 0.000 1.040 168 T CA 4.801 66.934 62.100 0.056 0.000 1.141 168 T CB -0.651 68.236 68.868 0.031 0.000 0.868 168 T HN -0.162 8.005 8.240 0.039 0.096 0.444 169 Q N 1.127 120.937 119.800 0.017 0.000 2.084 169 Q HA -0.337 nan 4.340 nan 0.000 0.202 169 Q C 2.176 178.175 176.000 -0.002 0.000 0.978 169 Q CA 3.531 59.334 55.803 0.000 0.000 0.844 169 Q CB -0.272 28.460 28.738 -0.009 0.000 0.898 169 Q HN 0.093 8.371 8.270 0.014 0.000 0.426 170 T N 2.923 117.482 114.554 0.009 0.000 2.708 170 T HA -0.259 nan 4.350 nan 0.000 0.266 170 T C 2.374 177.085 174.700 0.018 0.000 1.037 170 T CA 5.165 67.266 62.100 0.003 0.000 1.146 170 T CB -0.470 68.401 68.868 0.006 0.000 0.865 170 T HN -0.256 7.993 8.240 0.015 0.000 0.435 171 L N -0.212 121.054 121.223 0.070 0.000 2.201 171 L HA -0.371 nan 4.340 nan 0.000 0.212 171 L C 1.447 178.343 176.870 0.043 0.000 1.105 171 L CA 2.942 57.853 54.840 0.119 0.000 0.775 171 L CB -0.656 41.547 42.059 0.240 0.000 0.913 171 L HN -0.195 8.085 8.230 0.082 0.000 0.440 172 N N -0.363 118.347 118.700 0.016 0.000 2.216 172 N HA -0.320 nan 4.740 nan 0.000 0.183 172 N C 2.164 177.634 175.510 -0.066 0.000 1.017 172 N CA 3.630 56.668 53.050 -0.019 0.000 0.861 172 N CB 0.142 38.621 38.487 -0.014 0.000 0.986 172 N HN -0.014 8.248 8.380 0.025 0.134 0.428 173 E N 0.324 120.478 120.200 -0.077 0.000 2.072 173 E HA -0.328 nan 4.350 nan 0.000 0.191 173 E C 2.418 178.882 176.600 -0.227 0.000 0.985 173 E CA 3.177 59.503 56.400 -0.122 0.000 0.801 173 E CB -0.081 29.558 29.700 -0.102 0.000 0.750 173 E HN -0.314 7.924 8.360 -0.051 0.091 0.452 174 K N -0.979 119.276 120.400 -0.241 0.000 2.026 174 K HA -0.262 nan 4.320 nan 0.000 0.208 174 K C 2.647 178.943 176.600 -0.508 0.000 1.048 174 K CA 2.620 58.625 56.287 -0.470 0.000 0.929 174 K CB -0.377 32.015 32.500 -0.180 0.000 0.713 174 K HN -0.469 7.698 8.250 -0.137 0.000 0.439 175 S N -1.914 113.654 115.700 -0.221 0.000 2.382 175 S HA -0.243 nan 4.470 nan 0.000 0.228 175 S C 1.593 176.103 174.600 -0.151 0.000 1.027 175 S CA 2.479 60.592 58.200 -0.146 0.000 0.991 175 S CB -0.045 63.095 63.200 -0.100 0.000 0.823 175 S HN -0.150 8.073 8.310 -0.145 0.000 0.469 176 R N 1.124 121.524 120.500 -0.167 0.000 2.081 176 R HA -0.174 nan 4.340 nan 0.000 0.235 176 R C 1.882 178.086 176.300 -0.161 0.000 1.131 176 R CA 2.388 58.409 56.100 -0.131 0.000 0.960 176 R CB 0.261 30.493 30.300 -0.113 0.000 0.856 176 R HN -0.634 7.532 8.270 -0.168 0.004 0.436 177 A N -0.433 122.198 122.820 -0.315 0.000 1.930 177 A HA -0.126 nan 4.320 nan 0.000 0.217 177 A C 1.650 179.150 177.584 -0.140 0.000 1.175 177 A CA 2.576 54.408 52.037 -0.342 0.000 0.627 177 A CB -0.142 18.475 19.000 -0.638 0.000 0.815 177 A HN -0.148 7.688 8.150 -0.396 0.076 0.443 178 F N -5.175 114.758 119.950 -0.027 0.000 2.668 178 F HA 0.224 nan 4.527 nan 0.000 0.297 178 F C -0.313 175.464 175.800 -0.039 0.000 1.124 178 F CA -3.646 54.335 58.000 -0.032 0.000 1.353 178 F CB -1.843 37.133 39.000 -0.040 0.000 0.992 178 F HN -0.244 7.682 8.300 -0.444 0.108 0.524 179 A N 0.116 122.987 122.820 0.085 0.000 2.070 179 A HA -0.279 nan 4.320 nan 0.000 0.220 179 A C 0.411 178.019 177.584 0.040 0.000 1.159 179 A CA 3.039 55.098 52.037 0.036 0.000 0.656 179 A CB -0.545 18.455 19.000 0.001 0.000 0.800 179 A HN -0.671 7.420 8.150 0.037 0.081 0.453 180 D N -5.839 114.596 120.400 0.059 0.000 2.369 180 D HA -0.043 nan 4.640 nan 0.000 0.211 180 D C -0.283 176.039 176.300 0.037 0.000 1.077 180 D CA -0.507 53.517 54.000 0.040 0.000 0.842 180 D CB 0.387 41.209 40.800 0.037 0.000 0.947 180 D HN 0.185 8.558 8.370 0.089 0.051 0.509 181 I N 2.333 122.932 120.570 0.049 0.000 2.308 181 I HA -0.022 nan 4.170 nan 0.000 0.293 181 I C -1.299 174.820 176.117 0.003 0.000 1.078 181 I CA -0.051 61.259 61.300 0.016 0.000 1.292 181 I CB -0.284 37.709 38.000 -0.012 0.000 1.423 181 I HN -0.778 7.482 8.210 0.082 0.000 0.493 182 V N 8.702 128.616 119.914 0.000 0.000 2.530 182 V HA 0.131 nan 4.120 nan 0.000 0.282 182 V C -1.020 175.070 176.094 -0.007 0.000 1.048 182 V CA -0.273 62.026 62.300 -0.002 0.000 0.997 182 V CB -0.731 31.093 31.823 0.002 0.000 0.987 182 V HN 0.369 8.560 8.190 0.002 0.000 0.477 183 K N 3.371 123.767 120.400 -0.008 0.000 2.466 183 K HA 0.483 nan 4.320 nan 0.000 0.260 183 K C -1.788 174.812 176.600 -0.000 0.000 1.011 183 K CA -3.114 53.169 56.287 -0.006 0.000 0.871 183 K CB 3.492 35.985 32.500 -0.012 0.000 1.404 183 K HN 0.452 8.698 8.250 -0.007 0.000 0.450 184 I N 0.338 120.911 120.570 0.004 0.000 2.496 184 I HA -0.084 nan 4.170 nan 0.000 0.285 184 I C -0.494 175.628 176.117 0.008 0.000 1.080 184 I CA -0.491 60.813 61.300 0.007 0.000 1.404 184 I CB 0.933 38.938 38.000 0.008 0.000 1.403 184 I HN 0.486 8.699 8.210 0.005 0.000 0.539 185 G N 5.375 114.179 108.800 0.007 0.000 2.572 185 G HA2 0.080 nan 3.960 nan 0.000 0.261 185 G HA3 0.080 nan 3.960 nan 0.000 0.261 185 G C -2.142 172.766 174.900 0.013 0.000 1.197 185 G CA -0.761 44.345 45.100 0.010 0.000 0.870 185 G HN -0.553 7.651 8.290 0.006 0.090 0.548 186 R N -0.199 120.310 120.500 0.014 0.000 2.510 186 R HA 0.528 nan 4.340 nan 0.000 0.294 186 R C -1.051 175.257 176.300 0.012 0.000 1.056 186 R CA -0.493 55.614 56.100 0.011 0.000 0.918 186 R CB 3.076 33.375 30.300 -0.002 0.000 1.187 186 R HN 0.116 8.394 8.270 0.015 0.000 0.437 187 T N 0.377 114.959 114.554 0.046 0.000 2.848 187 T HA 0.461 nan 4.350 nan 0.000 0.285 187 T C 0.126 174.929 174.700 0.171 0.000 0.995 187 T CA -1.260 60.879 62.100 0.065 0.000 0.970 187 T CB 2.190 71.148 68.868 0.149 0.000 0.976 187 T HN 0.177 8.454 8.240 0.062 0.000 0.441 188 H N 2.967 122.012 119.070 -0.042 0.000 3.047 188 H HA -0.344 nan 4.556 nan 0.000 0.263 188 H C -0.751 174.534 175.328 -0.070 0.000 1.168 188 H CA 1.102 57.120 56.048 -0.050 0.000 1.152 188 H CB -1.015 28.726 29.762 -0.035 0.000 1.278 188 H HN 0.918 9.062 8.280 -0.227 0.000 0.339 189 L N -9.142 112.081 121.223 0.001 0.000 5.044 189 L HA -0.371 nan 4.340 nan 0.000 0.412 189 L C -0.844 176.010 176.870 -0.026 0.000 0.971 189 L CA 1.369 56.172 54.840 -0.061 0.000 1.411 189 L CB -1.170 40.822 42.059 -0.111 0.000 1.884 189 L HN -0.050 8.114 8.230 -0.016 0.057 0.631 190 Q N -1.449 118.361 119.800 0.018 0.000 2.205 190 Q HA 0.179 nan 4.340 nan 0.000 0.249 190 Q C -0.483 175.520 176.000 0.004 0.000 0.948 190 Q CA -1.851 53.954 55.803 0.003 0.000 0.895 190 Q CB 1.442 30.179 28.738 -0.002 0.000 1.249 190 Q HN -0.290 7.844 8.270 0.064 0.175 0.458 191 D N 0.619 121.012 120.400 -0.011 0.000 2.458 191 D HA -0.074 nan 4.640 nan 0.000 0.243 191 D C -1.139 175.159 176.300 -0.002 0.000 1.146 191 D CA 1.191 55.186 54.000 -0.009 0.000 0.877 191 D CB 0.047 40.835 40.800 -0.021 0.000 1.176 191 D HN 0.089 8.445 8.370 -0.022 0.000 0.461 192 A N 3.034 125.858 122.820 0.006 0.000 2.686 192 A HA 0.392 nan 4.320 nan 0.000 0.263 192 A C -1.393 176.195 177.584 0.007 0.000 1.264 192 A CA -0.545 51.499 52.037 0.012 0.000 0.799 192 A CB 2.104 21.120 19.000 0.027 0.000 1.363 192 A HN 0.143 8.222 8.150 0.006 0.074 0.507 193 T N -3.185 111.375 114.554 0.009 0.000 2.900 193 T HA 0.134 nan 4.350 nan 0.000 0.307 193 T C -1.171 173.532 174.700 0.005 0.000 1.065 193 T CA -1.787 60.316 62.100 0.005 0.000 1.105 193 T CB -1.236 67.636 68.868 0.005 0.000 0.979 193 T HN -0.151 8.097 8.240 0.014 0.000 0.544 194 P HA 0.369 nan 4.420 nan 0.000 0.272 194 P C -1.760 175.539 177.300 -0.002 0.000 1.230 194 P CA -0.284 62.817 63.100 0.001 0.000 0.788 194 P CB 0.636 32.337 31.700 0.001 0.000 0.949 195 L N -5.659 115.561 121.223 -0.005 0.000 2.622 195 L HA 0.723 nan 4.340 nan 0.000 0.258 195 L C -1.429 175.433 176.870 -0.014 0.000 0.996 195 L CA -0.849 53.984 54.840 -0.010 0.000 0.858 195 L CB 3.507 45.557 42.059 -0.015 0.000 1.449 195 L HN 0.340 8.567 8.230 -0.005 0.000 0.411 196 T N -4.023 110.521 114.554 -0.016 0.000 2.904 196 T HA 0.425 nan 4.350 nan 0.000 0.290 196 T C 0.781 175.466 174.700 -0.026 0.000 1.018 196 T CA -0.736 61.357 62.100 -0.012 0.000 1.075 196 T CB 1.744 70.612 68.868 -0.000 0.000 0.986 196 T HN 0.333 8.902 8.240 -0.016 -0.339 0.523 197 L N 3.638 124.852 121.223 -0.014 0.000 2.079 197 L HA -0.238 nan 4.340 nan 0.000 0.210 197 L C 1.303 178.151 176.870 -0.036 0.000 1.081 197 L CA 2.879 57.702 54.840 -0.028 0.000 0.752 197 L CB -0.422 41.628 42.059 -0.015 0.000 0.896 197 L HN 0.810 9.039 8.230 -0.002 0.000 0.433 198 G N -3.168 105.644 108.800 0.021 0.000 2.422 198 G HA2 -0.398 nan 3.960 nan 0.000 0.218 198 G HA3 -0.398 nan 3.960 nan 0.000 0.218 198 G C 1.227 176.075 174.900 -0.086 0.000 1.146 198 G CA 1.977 47.067 45.100 -0.016 0.000 0.769 198 G HN -0.321 7.998 8.290 0.055 0.004 0.547 199 Q N 1.138 120.894 119.800 -0.074 0.000 2.079 199 Q HA -0.376 nan 4.340 nan 0.000 0.200 199 Q C 2.143 178.059 176.000 -0.140 0.000 0.974 199 Q CA 3.254 59.009 55.803 -0.081 0.000 0.840 199 Q CB -0.186 28.522 28.738 -0.050 0.000 0.898 199 Q HN -0.393 7.754 8.270 -0.048 0.094 0.430 200 E N 0.325 120.415 120.200 -0.183 0.000 2.077 200 E HA -0.282 nan 4.350 nan 0.000 0.193 200 E C 2.668 178.888 176.600 -0.633 0.000 0.989 200 E CA 2.889 59.115 56.400 -0.290 0.000 0.800 200 E CB -0.021 29.538 29.700 -0.236 0.000 0.746 200 E HN -0.509 7.766 8.360 -0.142 0.000 0.452 201 I N -1.595 118.569 120.570 -0.677 0.000 2.394 201 I HA -0.417 nan 4.170 nan 0.000 0.251 201 I C 1.639 177.520 176.117 -0.394 0.000 1.136 201 I CA 3.230 63.993 61.300 -0.895 0.000 1.425 201 I CB -0.047 37.654 38.000 -0.498 0.000 1.079 201 I HN 0.010 7.956 8.210 -0.440 0.000 0.425 202 S N 0.082 115.650 115.700 -0.221 0.000 2.419 202 S HA -0.276 nan 4.470 nan 0.000 0.233 202 S C 2.494 177.081 174.600 -0.021 0.000 1.016 202 S CA 3.240 61.392 58.200 -0.080 0.000 0.974 202 S CB -0.566 62.599 63.200 -0.059 0.000 0.786 202 S HN 0.165 8.240 8.310 -0.223 0.101 0.492 203 G N 1.136 109.895 108.800 -0.067 0.000 2.408 203 G HA2 -0.155 nan 3.960 nan 0.000 0.217 203 G HA3 -0.155 nan 3.960 nan 0.000 0.217 203 G C 0.810 175.838 174.900 0.214 0.000 1.150 203 G CA 1.598 46.728 45.100 0.051 0.000 0.776 203 G HN -0.489 7.563 8.290 -0.181 0.129 0.542 204 W N 1.008 122.344 121.300 0.060 0.000 2.358 204 W HA -0.126 nan 4.660 nan 0.000 0.303 204 W C 2.462 179.018 176.519 0.062 0.000 1.208 204 W CA 0.833 58.216 57.345 0.064 0.000 1.274 204 W CB -0.972 28.537 29.460 0.081 0.000 1.138 204 W HN -0.578 7.477 8.180 -0.034 0.104 0.515 205 V N -0.169 119.910 119.914 0.274 0.000 2.261 205 V HA -0.515 nan 4.120 nan 0.000 0.246 205 V C 1.875 178.049 176.094 0.134 0.000 1.047 205 V CA 4.579 66.978 62.300 0.164 0.000 1.015 205 V CB -1.238 30.640 31.823 0.091 0.000 0.642 205 V HN -0.227 8.030 8.190 0.230 0.071 0.446 206 A N -1.489 121.413 122.820 0.137 0.000 1.940 206 A HA -0.410 nan 4.320 nan 0.000 0.219 206 A C 2.036 179.795 177.584 0.291 0.000 1.176 206 A CA 3.321 55.460 52.037 0.170 0.000 0.631 206 A CB -0.775 18.338 19.000 0.188 0.000 0.814 206 A HN -0.090 8.135 8.150 0.125 0.000 0.446 207 M N -1.648 118.096 119.600 0.240 0.000 2.086 207 M HA -0.437 nan 4.480 nan 0.000 0.261 207 M C 2.297 178.704 176.300 0.178 0.000 1.067 207 M CA 4.128 59.553 55.300 0.209 0.000 1.116 207 M CB -0.080 32.614 32.600 0.157 0.000 1.348 207 M HN -0.550 7.776 8.290 0.220 0.096 0.407 208 L N -1.956 119.348 121.223 0.136 0.000 2.093 208 L HA -0.411 nan 4.340 nan 0.000 0.208 208 L C 2.310 179.216 176.870 0.061 0.000 1.085 208 L CA 2.816 57.708 54.840 0.086 0.000 0.755 208 L CB -0.814 41.291 42.059 0.078 0.000 0.904 208 L HN -0.467 7.776 8.230 0.154 0.079 0.435 209 E N -0.791 119.435 120.200 0.043 0.000 2.077 209 E HA -0.403 nan 4.350 nan 0.000 0.193 209 E C 2.615 179.167 176.600 -0.080 0.000 0.989 209 E CA 3.298 59.671 56.400 -0.045 0.000 0.800 209 E CB -0.242 29.399 29.700 -0.098 0.000 0.746 209 E HN 0.166 8.568 8.360 0.069 0.000 0.452 210 H N -1.022 118.053 119.070 0.007 0.000 2.353 210 H HA -0.236 nan 4.556 nan 0.000 0.300 210 H C 2.510 177.864 175.328 0.044 0.000 1.090 210 H CA 3.888 59.938 56.048 0.003 0.000 1.327 210 H CB -0.096 29.717 29.762 0.085 0.000 1.383 210 H HN -0.126 8.229 8.280 0.126 0.000 0.508 211 N N -0.451 118.382 118.700 0.221 0.000 2.149 211 N HA -0.315 nan 4.740 nan 0.000 0.188 211 N C 2.231 177.786 175.510 0.075 0.000 1.019 211 N CA 3.293 56.451 53.050 0.180 0.000 0.857 211 N CB -0.089 38.454 38.487 0.093 0.000 0.997 211 N HN -0.400 8.011 8.380 0.203 0.091 0.426 212 L N 0.234 121.455 121.223 -0.004 0.000 1.989 212 L HA -0.326 nan 4.340 nan 0.000 0.211 212 L C 0.963 177.739 176.870 -0.158 0.000 1.071 212 L CA 3.510 58.309 54.840 -0.068 0.000 0.749 212 L CB -0.282 41.731 42.059 -0.077 0.000 0.890 212 L HN -0.215 7.928 8.230 0.007 0.091 0.431 213 K N -2.175 118.073 120.400 -0.254 0.000 2.097 213 K HA -0.412 nan 4.320 nan 0.000 0.206 213 K C 2.328 178.521 176.600 -0.679 0.000 1.049 213 K CA 3.289 59.254 56.287 -0.537 0.000 0.933 213 K CB -0.808 31.371 32.500 -0.535 0.000 0.717 213 K HN -0.644 7.486 8.250 -0.201 0.000 0.442 214 H N 0.583 119.546 119.070 -0.178 0.000 2.353 214 H HA -0.211 nan 4.556 nan 0.000 0.300 214 H C 2.774 178.107 175.328 0.009 0.000 1.090 214 H CA 3.507 59.577 56.048 0.036 0.000 1.327 214 H CB 0.095 29.909 29.762 0.087 0.000 1.383 214 H HN -0.534 7.549 8.280 -0.170 0.094 0.508 215 I N -0.772 119.839 120.570 0.069 0.000 2.252 215 I HA -0.470 nan 4.170 nan 0.000 0.245 215 I C 2.566 178.682 176.117 -0.002 0.000 1.102 215 I CA 3.786 65.107 61.300 0.035 0.000 1.385 215 I CB -0.040 37.960 38.000 -0.001 0.000 1.064 215 I HN 0.159 8.317 8.210 0.044 0.078 0.414 216 E N 0.296 120.432 120.200 -0.107 0.000 2.153 216 E HA -0.313 nan 4.350 nan 0.000 0.194 216 E C 2.960 179.539 176.600 -0.035 0.000 0.988 216 E CA 3.018 59.344 56.400 -0.124 0.000 0.811 216 E CB -0.293 29.273 29.700 -0.224 0.000 0.746 216 E HN 0.032 8.292 8.360 -0.166 0.000 0.466 217 Y N -2.587 117.730 120.300 0.028 0.000 2.421 217 Y HA -0.187 nan 4.550 nan 0.000 0.292 217 Y C 0.966 176.898 175.900 0.054 0.000 1.136 217 Y CA 0.934 59.057 58.100 0.038 0.000 1.255 217 Y CB -0.668 37.827 38.460 0.059 0.000 0.991 217 Y HN -0.304 7.760 8.280 -0.174 0.112 0.552 218 S N -1.858 113.965 115.700 0.204 0.000 2.501 218 S HA -0.074 nan 4.470 nan 0.000 0.220 218 S C 1.428 176.085 174.600 0.096 0.000 0.997 218 S CA 1.385 59.676 58.200 0.152 0.000 0.919 218 S CB 0.692 63.976 63.200 0.140 0.000 0.778 218 S HN -0.514 7.743 8.310 0.167 0.154 0.523 219 L N 2.234 123.496 121.223 0.064 0.000 2.017 219 L HA -0.169 nan 4.340 nan 0.000 0.208 219 L C -0.863 176.012 176.870 0.007 0.000 1.073 219 L CA 4.249 59.094 54.840 0.009 0.000 0.745 219 L CB -2.537 39.510 42.059 -0.020 0.000 0.894 219 L HN -0.849 7.278 8.230 0.070 0.145 0.432 220 P HA -0.263 nan 4.420 nan 0.000 0.216 220 P C 0.808 178.173 177.300 0.109 0.000 1.150 220 P CA 2.848 65.979 63.100 0.051 0.000 0.843 220 P CB -0.462 31.272 31.700 0.057 0.000 0.787 221 H N -3.657 115.413 119.070 0.001 0.000 2.395 221 H HA -0.108 nan 4.556 nan 0.000 0.299 221 H C 2.584 177.885 175.328 -0.046 0.000 1.070 221 H CA 2.217 58.268 56.048 0.005 0.000 1.356 221 H CB -0.121 29.650 29.762 0.015 0.000 1.401 221 H HN -0.178 8.201 8.280 0.187 0.013 0.524 222 V N -1.302 118.552 119.914 -0.100 0.000 2.809 222 V HA -0.215 nan 4.120 nan 0.000 0.256 222 V C 1.038 177.025 176.094 -0.179 0.000 1.080 222 V CA 2.302 64.344 62.300 -0.430 0.000 1.102 222 V CB -0.952 30.649 31.823 -0.369 0.000 0.705 222 V HN -0.776 7.312 8.190 -0.030 0.085 0.475 223 A N -2.990 119.833 122.820 0.005 0.000 2.168 223 A HA -0.095 nan 4.320 nan 0.000 0.215 223 A C -0.705 177.046 177.584 0.279 0.000 1.152 223 A CA 0.939 53.039 52.037 0.104 0.000 0.716 223 A CB 0.383 19.354 19.000 -0.049 0.000 0.794 223 A HN -0.338 7.691 8.150 -0.009 0.116 0.465 224 E N -1.682 118.682 120.200 0.272 0.000 2.257 224 E HA 0.160 nan 4.350 nan 0.000 0.278 224 E C -0.803 175.968 176.600 0.285 0.000 1.049 224 E CA -0.104 56.454 56.400 0.262 0.000 0.876 224 E CB 0.232 30.089 29.700 0.262 0.000 1.035 224 E HN -0.782 7.550 8.360 0.236 0.169 0.419 225 L N 3.571 124.884 121.223 0.151 0.000 2.322 225 L HA 0.312 nan 4.340 nan 0.000 0.279 225 L C 0.274 177.118 176.870 -0.042 0.000 1.036 225 L CA -1.512 53.340 54.840 0.020 0.000 0.807 225 L CB 1.500 43.536 42.059 -0.039 0.000 1.226 225 L HN 0.858 9.064 8.230 0.140 0.108 0.433 226 A N 4.767 127.518 122.820 -0.114 0.000 2.067 226 A HA -0.011 nan 4.320 nan 0.000 0.217 226 A C 0.211 177.758 177.584 -0.063 0.000 1.156 226 A CA 1.445 53.423 52.037 -0.099 0.000 0.683 226 A CB -0.069 18.852 19.000 -0.133 0.000 0.808 226 A HN 0.560 8.602 8.150 -0.179 0.000 0.455 227 L N -1.408 119.778 121.223 -0.060 0.000 2.667 227 L HA -0.567 nan 4.340 nan 0.000 0.278 227 L C 0.027 176.924 176.870 0.044 0.000 1.217 227 L CA 1.953 56.787 54.840 -0.009 0.000 0.935 227 L CB -0.338 41.683 42.059 -0.063 0.000 1.193 227 L HN -0.516 7.619 8.230 -0.091 0.040 0.493 228 G N 2.974 111.866 108.800 0.154 0.000 2.278 228 G HA2 -0.297 nan 3.960 nan 0.000 0.210 228 G HA3 -0.297 nan 3.960 nan 0.000 0.210 228 G C 0.234 175.171 174.900 0.061 0.000 1.000 228 G CA 0.137 45.361 45.100 0.207 0.000 0.635 228 G HN 0.542 9.238 8.290 0.159 -0.311 0.495 229 G N 0.145 108.938 108.800 -0.012 0.000 2.448 229 G HA2 -0.157 nan 3.960 nan 0.000 0.218 229 G HA3 -0.157 nan 3.960 nan 0.000 0.218 229 G C -0.583 174.279 174.900 -0.063 0.000 1.135 229 G CA 0.652 45.696 45.100 -0.094 0.000 0.784 229 G HN 0.069 8.279 8.290 -0.009 0.074 0.543 230 T N -0.077 114.466 114.554 -0.019 0.000 2.274 230 T HA -0.496 nan 4.350 nan 0.000 0.767 230 T C 0.333 175.026 174.700 -0.012 0.000 1.005 230 T CA 1.758 63.849 62.100 -0.015 0.000 4.044 230 T CB -0.889 67.963 68.868 -0.026 0.000 2.315 230 T HN -0.657 7.774 8.240 0.004 -0.189 0.394 231 A N 2.191 125.009 122.820 -0.003 0.000 1.873 231 A HA -0.208 nan 4.320 nan 0.000 0.218 231 A C 0.985 178.586 177.584 0.028 0.000 1.193 231 A CA 3.102 55.146 52.037 0.011 0.000 0.629 231 A CB 0.129 19.137 19.000 0.013 0.000 0.826 231 A HN 0.609 8.755 8.150 -0.007 0.000 0.447 232 V N -9.741 110.197 119.914 0.041 0.000 3.432 232 V HA 0.413 nan 4.120 nan 0.000 0.298 232 V C 0.496 176.640 176.094 0.082 0.000 1.464 232 V CA -0.976 61.381 62.300 0.094 0.000 1.046 232 V CB 0.300 32.206 31.823 0.138 0.000 0.887 232 V HN -0.247 7.962 8.190 0.032 0.000 0.441 233 G N 0.570 109.318 108.800 -0.087 0.000 2.218 233 G HA2 -0.327 nan 3.960 nan 0.000 0.216 233 G HA3 -0.327 nan 3.960 nan 0.000 0.216 233 G C -0.332 174.278 174.900 -0.482 0.000 0.994 233 G CA 0.968 45.800 45.100 -0.447 0.000 0.637 233 G HN -0.215 8.039 8.290 -0.060 0.000 0.505 234 T N -3.882 110.627 114.554 -0.075 0.000 2.915 234 T HA -0.154 nan 4.350 nan 0.000 0.269 234 T C 1.393 176.090 174.700 -0.006 0.000 1.071 234 T CA 0.310 62.446 62.100 0.060 0.000 1.132 234 T CB -0.448 68.503 68.868 0.138 0.000 0.878 234 T HN -0.065 8.132 8.240 0.034 0.064 0.479 235 G N 1.428 110.209 108.800 -0.032 0.000 2.132 235 G HA2 -0.388 nan 3.960 nan 0.000 0.234 235 G HA3 -0.388 nan 3.960 nan 0.000 0.234 235 G C -1.636 173.257 174.900 -0.012 0.000 0.989 235 G CA -0.150 44.939 45.100 -0.018 0.000 0.676 235 G HN -0.315 7.906 8.290 -0.048 0.040 0.522 236 L N -0.070 121.151 121.223 -0.004 0.000 2.540 236 L HA -0.237 nan 4.340 nan 0.000 0.276 236 L C -0.706 176.148 176.870 -0.027 0.000 1.212 236 L CA 1.004 55.840 54.840 -0.006 0.000 0.893 236 L CB 0.029 42.092 42.059 0.006 0.000 1.138 236 L HN -0.844 7.351 8.230 0.004 0.038 0.491 237 N N 0.283 118.964 118.700 -0.032 0.000 2.861 237 N HA -0.222 nan 4.740 nan 0.000 0.247 237 N C -1.256 174.200 175.510 -0.091 0.000 1.117 237 N CA 0.728 53.748 53.050 -0.050 0.000 0.703 237 N CB -1.741 36.716 38.487 -0.050 0.000 1.052 237 N HN 0.415 8.782 8.380 -0.022 0.000 0.555 238 T N -5.759 108.748 114.554 -0.078 0.000 2.903 238 T HA 0.342 nan 4.350 nan 0.000 0.299 238 T C -1.577 173.122 174.700 -0.002 0.000 1.093 238 T CA -1.780 60.249 62.100 -0.118 0.000 1.002 238 T CB 2.931 71.718 68.868 -0.134 0.000 1.127 238 T HN -0.675 7.537 8.240 -0.046 0.000 0.488 239 H N 4.666 123.710 119.070 -0.044 0.000 2.683 239 H HA 0.235 nan 4.556 nan 0.000 0.339 239 H C 0.955 176.330 175.328 0.077 0.000 1.081 239 H CA -2.088 53.977 56.048 0.029 0.000 1.432 239 H CB 0.520 30.316 29.762 0.056 0.000 1.462 239 H HN 0.019 8.337 8.280 0.064 0.000 0.557 240 P HA -0.285 nan 4.420 nan 0.000 0.218 240 P C 0.172 177.463 177.300 -0.015 0.000 1.146 240 P CA 2.270 65.266 63.100 -0.174 0.000 0.820 240 P CB 0.261 31.808 31.700 -0.256 0.000 0.778 241 E N -3.756 116.516 120.200 0.121 0.000 2.474 241 E HA 0.041 nan 4.350 nan 0.000 0.195 241 E C 1.362 178.111 176.600 0.249 0.000 1.039 241 E CA 0.018 56.557 56.400 0.232 0.000 0.881 241 E CB 0.253 30.136 29.700 0.306 0.000 0.970 241 E HN -0.373 7.976 8.360 0.039 0.035 0.486 242 Y N 2.240 122.649 120.300 0.181 0.000 2.081 242 Y HA -0.565 nan 4.550 nan 0.000 0.280 242 Y C 0.532 176.459 175.900 0.045 0.000 1.163 242 Y CA 4.415 62.574 58.100 0.098 0.000 1.135 242 Y CB -0.078 38.436 38.460 0.090 0.000 0.970 242 Y HN 0.181 8.539 8.280 0.443 0.188 0.498 243 A N -2.199 120.656 122.820 0.059 0.000 1.883 243 A HA -0.417 nan 4.320 nan 0.000 0.217 243 A C 2.126 179.655 177.584 -0.093 0.000 1.186 243 A CA 3.489 55.496 52.037 -0.051 0.000 0.624 243 A CB -1.176 17.848 19.000 0.040 0.000 0.822 243 A HN 0.454 8.735 8.150 0.217 0.000 0.444 244 R N -1.864 118.615 120.500 -0.035 0.000 2.073 244 R HA -0.189 nan 4.340 nan 0.000 0.229 244 R C 2.302 178.571 176.300 -0.051 0.000 1.120 244 R CA 1.589 57.674 56.100 -0.026 0.000 0.967 244 R CB -0.753 29.550 30.300 0.007 0.000 0.862 244 R HN -0.309 7.963 8.270 0.004 0.000 0.436 245 R N -0.352 120.108 120.500 -0.065 0.000 2.080 245 R HA -0.343 nan 4.340 nan 0.000 0.236 245 R C 2.332 178.550 176.300 -0.138 0.000 1.137 245 R CA 3.849 59.902 56.100 -0.078 0.000 0.943 245 R CB -0.233 30.034 30.300 -0.056 0.000 0.846 245 R HN -0.208 8.037 8.270 -0.041 0.000 0.431 246 V N -1.225 118.526 119.914 -0.271 0.000 2.490 246 V HA -0.298 nan 4.120 nan 0.000 0.250 246 V C 1.202 177.190 176.094 -0.178 0.000 1.061 246 V CA 3.291 65.416 62.300 -0.292 0.000 1.064 246 V CB -0.552 30.947 31.823 -0.541 0.000 0.670 246 V HN 0.098 8.067 8.190 -0.370 0.000 0.461 247 A N -0.857 121.881 122.820 -0.137 0.000 1.898 247 A HA -0.327 nan 4.320 nan 0.000 0.216 247 A C 1.840 179.423 177.584 -0.002 0.000 1.181 247 A CA 3.490 55.494 52.037 -0.055 0.000 0.620 247 A CB -0.833 18.157 19.000 -0.016 0.000 0.819 247 A HN -0.383 7.661 8.150 -0.157 0.012 0.442 248 D N -1.170 119.221 120.400 -0.015 0.000 2.097 248 D HA -0.295 nan 4.640 nan 0.000 0.197 248 D C 2.456 178.760 176.300 0.006 0.000 0.984 248 D CA 3.432 57.436 54.000 0.007 0.000 0.826 248 D CB -0.330 40.469 40.800 -0.003 0.000 0.973 248 D HN -0.031 8.235 8.370 -0.040 0.080 0.460 249 E N 0.690 120.875 120.200 -0.026 0.000 2.058 249 E HA -0.289 nan 4.350 nan 0.000 0.194 249 E C 2.239 178.832 176.600 -0.012 0.000 0.997 249 E CA 2.643 59.027 56.400 -0.026 0.000 0.801 249 E CB -0.306 29.362 29.700 -0.054 0.000 0.746 249 E HN -0.083 8.248 8.360 -0.049 0.000 0.450 250 L N -1.561 119.644 121.223 -0.030 0.000 2.083 250 L HA -0.263 nan 4.340 nan 0.000 0.209 250 L C 2.059 178.998 176.870 0.114 0.000 1.083 250 L CA 2.644 57.465 54.840 -0.033 0.000 0.752 250 L CB -0.882 41.073 42.059 -0.173 0.000 0.899 250 L HN -0.173 8.024 8.230 -0.056 0.000 0.433 251 A N -0.704 122.217 122.820 0.168 0.000 1.930 251 A HA -0.291 nan 4.320 nan 0.000 0.217 251 A C 2.585 180.236 177.584 0.113 0.000 1.175 251 A CA 3.188 55.354 52.037 0.215 0.000 0.627 251 A CB -0.758 18.327 19.000 0.142 0.000 0.815 251 A HN -0.282 7.848 8.150 0.110 0.086 0.443 252 V N 0.002 119.956 119.914 0.066 0.000 2.237 252 V HA -0.397 nan 4.120 nan 0.000 0.245 252 V C 1.949 178.066 176.094 0.039 0.000 1.046 252 V CA 3.909 66.232 62.300 0.039 0.000 1.007 252 V CB -0.355 31.480 31.823 0.020 0.000 0.638 252 V HN -0.212 7.920 8.190 0.058 0.093 0.445 253 I N -4.381 116.211 120.570 0.037 0.000 2.676 253 I HA -0.167 nan 4.170 nan 0.000 0.259 253 I C 1.395 177.541 176.117 0.048 0.000 1.194 253 I CA 2.439 63.756 61.300 0.029 0.000 1.473 253 I CB 0.070 38.076 38.000 0.010 0.000 1.096 253 I HN 0.009 8.239 8.210 0.033 0.000 0.443 254 T N -5.867 108.741 114.554 0.091 0.000 3.015 254 T HA 0.154 nan 4.350 nan 0.000 0.250 254 T C 0.377 175.132 174.700 0.092 0.000 1.057 254 T CA 0.216 62.390 62.100 0.123 0.000 1.066 254 T CB 0.994 70.021 68.868 0.264 0.000 0.959 254 T HN -0.334 7.945 8.240 0.112 0.028 0.488 255 C N 0.194 119.538 119.300 0.072 0.000 4.417 255 C HA -0.439 nan 4.460 nan 0.000 0.284 255 C C -0.972 174.014 174.990 -0.008 0.000 1.379 255 C CA -0.054 58.981 59.018 0.029 0.000 1.918 255 C CB -2.960 24.790 27.740 0.016 0.000 1.280 255 C HN 0.083 8.362 8.230 0.082 0.000 0.783 256 A N -0.444 122.365 122.820 -0.020 0.000 2.337 256 A HA 0.519 nan 4.320 nan 0.000 0.331 256 A C -2.500 174.928 177.584 -0.260 0.000 1.137 256 A CA -2.293 49.617 52.037 -0.212 0.000 0.807 256 A CB 1.354 20.109 19.000 -0.409 0.000 1.250 256 A HN -0.669 7.484 8.150 0.077 0.042 0.468 257 P HA 0.100 nan 4.420 nan 0.000 0.226 257 P C -1.774 175.401 177.300 -0.207 0.000 1.783 257 P CA -0.334 62.651 63.100 -0.193 0.000 0.980 257 P CB -1.627 29.987 31.700 -0.142 0.000 1.967 258 F N 1.730 121.680 119.950 -0.000 0.000 2.471 258 F HA -0.042 nan 4.527 nan 0.000 0.353 258 F C 0.009 175.810 175.800 0.002 0.000 1.113 258 F CA 1.021 59.023 58.000 0.003 0.000 1.262 258 F CB 1.078 40.076 39.000 -0.003 0.000 1.146 258 F HN -0.528 7.706 8.300 -0.006 0.063 0.578 259 V N -2.905 117.141 119.914 0.220 0.000 3.078 259 V HA 0.439 nan 4.120 nan 0.000 0.311 259 V C -1.877 174.281 176.094 0.105 0.000 1.138 259 V CA -3.279 59.093 62.300 0.120 0.000 1.007 259 V CB 3.405 35.276 31.823 0.079 0.000 1.045 259 V HN 0.271 8.629 8.190 0.280 0.000 0.432 260 T N 1.622 116.210 114.554 0.057 0.000 2.851 260 T HA 0.190 nan 4.350 nan 0.000 0.298 260 T C 0.873 175.600 174.700 0.045 0.000 0.977 260 T CA -0.418 61.701 62.100 0.033 0.000 1.126 260 T CB 0.414 69.286 68.868 0.006 0.000 0.916 260 T HN 0.245 8.513 8.240 0.047 0.000 0.529 261 A N 9.055 131.902 122.820 0.044 0.000 2.545 261 A HA 0.166 nan 4.320 nan 0.000 0.253 261 A C -0.589 177.015 177.584 0.034 0.000 1.074 261 A CA -1.427 50.644 52.037 0.057 0.000 0.760 261 A CB -0.726 18.304 19.000 0.050 0.000 1.005 261 A HN 0.484 8.556 8.150 0.027 0.094 0.506 262 P HA -0.189 nan 4.420 nan 0.000 0.216 262 P C -0.695 176.629 177.300 0.041 0.000 1.150 262 P CA 1.689 64.811 63.100 0.037 0.000 0.843 262 P CB 0.260 31.981 31.700 0.034 0.000 0.787 263 N N -1.771 116.958 118.700 0.048 0.000 2.531 263 N HA 0.103 nan 4.740 nan 0.000 0.268 263 N C -0.361 175.144 175.510 -0.008 0.000 1.023 263 N CA -0.974 52.116 53.050 0.067 0.000 0.896 263 N CB 1.113 39.678 38.487 0.130 0.000 1.233 263 N HN 0.028 8.408 8.380 0.052 0.032 0.512 264 K N 5.351 125.643 120.400 -0.180 0.000 2.288 264 K HA -0.149 nan 4.320 nan 0.000 0.201 264 K C 1.969 178.368 176.600 -0.336 0.000 1.048 264 K CA 1.405 57.513 56.287 -0.297 0.000 0.956 264 K CB -0.311 31.943 32.500 -0.409 0.000 0.746 264 K HN 0.591 8.719 8.250 -0.202 0.000 0.461 265 F N -0.407 119.570 119.950 0.044 0.000 2.163 265 F HA -0.258 nan 4.527 nan 0.000 0.297 265 F C 2.044 177.875 175.800 0.052 0.000 1.094 265 F CA 3.567 61.596 58.000 0.048 0.000 1.290 265 F CB -0.591 38.437 39.000 0.046 0.000 1.017 265 F HN -0.608 7.579 8.300 -0.306 -0.070 0.483 266 E N 0.097 120.421 120.200 0.207 0.000 2.106 266 E HA -0.384 nan 4.350 nan 0.000 0.192 266 E C 2.104 178.770 176.600 0.110 0.000 0.984 266 E CA 2.998 59.490 56.400 0.154 0.000 0.806 266 E CB -0.100 29.691 29.700 0.151 0.000 0.750 266 E HN -0.108 8.683 8.360 0.219 -0.299 0.458 267 A N -0.792 122.068 122.820 0.068 0.000 1.933 267 A HA -0.238 nan 4.320 nan 0.000 0.218 267 A C 2.393 179.969 177.584 -0.012 0.000 1.175 267 A CA 2.963 55.010 52.037 0.017 0.000 0.628 267 A CB -0.482 18.503 19.000 -0.025 0.000 0.814 267 A HN -0.481 7.702 8.150 0.056 0.000 0.444 268 L N -2.915 118.310 121.223 0.003 0.000 2.202 268 L HA -0.114 nan 4.340 nan 0.000 0.205 268 L C 2.464 179.372 176.870 0.062 0.000 1.083 268 L CA 2.506 57.357 54.840 0.019 0.000 0.790 268 L CB -0.086 41.981 42.059 0.014 0.000 0.942 268 L HN -0.247 7.983 8.230 -0.000 0.000 0.452 269 A N -3.556 119.320 122.820 0.093 0.000 2.167 269 A HA 0.011 nan 4.320 nan 0.000 0.214 269 A C -0.149 177.484 177.584 0.081 0.000 1.151 269 A CA 1.718 53.817 52.037 0.103 0.000 0.735 269 A CB 0.221 19.299 19.000 0.130 0.000 0.802 269 A HN -0.219 7.992 8.150 0.102 0.000 0.467 270 T N -6.734 107.862 114.554 0.071 0.000 2.838 270 T HA 0.266 nan 4.350 nan 0.000 0.292 270 T C -1.606 173.122 174.700 0.047 0.000 1.113 270 T CA -1.610 60.526 62.100 0.060 0.000 1.008 270 T CB 2.588 71.497 68.868 0.069 0.000 1.259 270 T HN -0.715 7.534 8.240 0.067 0.032 0.520 271 C N 0.600 119.923 119.300 0.040 0.000 2.969 271 C HA 0.531 nan 4.460 nan 0.000 0.260 271 C C 0.638 175.632 174.990 0.007 0.000 1.618 271 C CA -0.922 58.112 59.018 0.027 0.000 1.774 271 C CB -0.884 26.878 27.740 0.037 0.000 3.063 271 C HN 0.756 9.009 8.230 0.039 0.000 0.506 272 D N 3.347 123.758 120.400 0.018 0.000 2.133 272 D HA -0.315 nan 4.640 nan 0.000 0.195 272 D C 1.201 177.461 176.300 -0.067 0.000 0.997 272 D CA 4.084 58.102 54.000 0.029 0.000 0.840 272 D CB -0.434 40.445 40.800 0.132 0.000 0.947 272 D HN -0.309 8.003 8.370 0.041 0.083 0.452 273 A N -1.519 121.103 122.820 -0.330 0.000 1.940 273 A HA -0.197 nan 4.320 nan 0.000 0.219 273 A C 2.088 179.523 177.584 -0.249 0.000 1.176 273 A CA 2.817 54.508 52.037 -0.576 0.000 0.631 273 A CB -0.600 17.879 19.000 -0.868 0.000 0.814 273 A HN 0.313 8.295 8.150 -0.279 0.000 0.446 274 L N -2.677 118.434 121.223 -0.187 0.000 2.179 274 L HA -0.238 nan 4.340 nan 0.000 0.208 274 L C 2.272 179.206 176.870 0.106 0.000 1.096 274 L CA 2.428 57.176 54.840 -0.154 0.000 0.779 274 L CB -0.214 41.680 42.059 -0.276 0.000 0.922 274 L HN -0.560 7.570 8.230 -0.146 0.013 0.443 275 V N 0.612 120.567 119.914 0.068 0.000 2.343 275 V HA -0.514 nan 4.120 nan 0.000 0.247 275 V C 2.492 178.672 176.094 0.143 0.000 1.051 275 V CA 4.367 66.731 62.300 0.107 0.000 1.036 275 V CB -1.000 30.859 31.823 0.059 0.000 0.654 275 V HN -0.100 8.098 8.190 0.014 0.000 0.451 276 Q N -1.958 117.908 119.800 0.110 0.000 2.016 276 Q HA -0.265 nan 4.340 nan 0.000 0.200 276 Q C 2.828 178.918 176.000 0.150 0.000 0.978 276 Q CA 2.604 58.479 55.803 0.121 0.000 0.833 276 Q CB -0.471 28.342 28.738 0.126 0.000 0.895 276 Q HN -0.139 8.164 8.270 0.069 0.008 0.427 277 A N 0.002 122.924 122.820 0.170 0.000 1.940 277 A HA -0.279 nan 4.320 nan 0.000 0.219 277 A C 1.834 179.586 177.584 0.280 0.000 1.176 277 A CA 2.868 55.044 52.037 0.231 0.000 0.631 277 A CB -0.701 18.455 19.000 0.261 0.000 0.814 277 A HN 0.280 8.388 8.150 0.113 0.109 0.446 278 H N -1.708 117.534 119.070 0.286 0.000 2.495 278 H HA -0.170 nan 4.556 nan 0.000 0.287 278 H C 2.030 177.379 175.328 0.036 0.000 1.033 278 H CA 2.608 58.733 56.048 0.127 0.000 1.307 278 H CB 0.165 30.027 29.762 0.168 0.000 1.401 278 H HN 0.178 8.632 8.280 0.487 0.118 0.555 279 G N -1.981 106.887 108.800 0.113 0.000 2.418 279 G HA2 -0.336 nan 3.960 nan 0.000 0.217 279 G HA3 -0.336 nan 3.960 nan 0.000 0.217 279 G C 0.411 175.283 174.900 -0.047 0.000 1.158 279 G CA 1.904 47.026 45.100 0.037 0.000 0.771 279 G HN 0.172 8.385 8.290 0.169 0.178 0.545 280 A N 1.690 124.492 122.820 -0.030 0.000 1.930 280 A HA -0.146 nan 4.320 nan 0.000 0.217 280 A C 2.068 179.582 177.584 -0.118 0.000 1.175 280 A CA 2.482 54.491 52.037 -0.046 0.000 0.627 280 A CB -0.844 18.179 19.000 0.039 0.000 0.815 280 A HN -0.745 7.420 8.150 0.025 0.000 0.443 281 L N -2.724 118.366 121.223 -0.222 0.000 2.056 281 L HA -0.417 nan 4.340 nan 0.000 0.207 281 L C 2.202 178.880 176.870 -0.320 0.000 1.078 281 L CA 2.729 57.364 54.840 -0.343 0.000 0.749 281 L CB -0.238 41.447 42.059 -0.622 0.000 0.901 281 L HN -0.580 7.421 8.230 -0.213 0.101 0.433 282 K N -1.133 119.076 120.400 -0.318 0.000 2.288 282 K HA -0.181 nan 4.320 nan 0.000 0.201 282 K C 2.505 179.031 176.600 -0.123 0.000 1.048 282 K CA 2.681 58.859 56.287 -0.181 0.000 0.956 282 K CB -1.379 31.071 32.500 -0.083 0.000 0.746 282 K HN -0.023 8.017 8.250 -0.349 0.000 0.461 283 G N 0.034 108.759 108.800 -0.124 0.000 2.404 283 G HA2 -0.220 nan 3.960 nan 0.000 0.215 283 G HA3 -0.220 nan 3.960 nan 0.000 0.215 283 G C 0.786 175.632 174.900 -0.090 0.000 1.174 283 G CA 1.684 46.720 45.100 -0.106 0.000 0.780 283 G HN -0.437 7.638 8.290 -0.141 0.130 0.537 284 L N 1.721 122.887 121.223 -0.095 0.000 2.083 284 L HA -0.277 nan 4.340 nan 0.000 0.209 284 L C 1.453 178.263 176.870 -0.101 0.000 1.083 284 L CA 2.346 57.137 54.840 -0.081 0.000 0.752 284 L CB -0.577 41.428 42.059 -0.089 0.000 0.899 284 L HN -0.212 7.888 8.230 -0.111 0.064 0.433 285 A N -1.596 121.153 122.820 -0.119 0.000 1.902 285 A HA -0.390 nan 4.320 nan 0.000 0.217 285 A C 1.872 179.397 177.584 -0.099 0.000 1.181 285 A CA 3.201 55.169 52.037 -0.115 0.000 0.623 285 A CB -1.162 17.771 19.000 -0.111 0.000 0.818 285 A HN 0.174 8.166 8.150 -0.137 0.076 0.443 286 A N -2.324 120.445 122.820 -0.084 0.000 1.930 286 A HA -0.300 nan 4.320 nan 0.000 0.217 286 A C 2.249 179.789 177.584 -0.073 0.000 1.175 286 A CA 2.892 54.888 52.037 -0.070 0.000 0.627 286 A CB -0.876 18.089 19.000 -0.058 0.000 0.815 286 A HN -0.111 7.885 8.150 -0.086 0.102 0.443 287 S N 0.090 115.747 115.700 -0.072 0.000 2.355 287 S HA -0.331 nan 4.470 nan 0.000 0.222 287 S C 2.232 176.761 174.600 -0.119 0.000 1.031 287 S CA 3.658 61.819 58.200 -0.066 0.000 0.993 287 S CB -0.054 63.126 63.200 -0.034 0.000 0.859 287 S HN -0.636 7.550 8.310 -0.071 0.081 0.453 288 L N 0.793 121.927 121.223 -0.149 0.000 2.079 288 L HA -0.397 nan 4.340 nan 0.000 0.210 288 L C 1.823 178.535 176.870 -0.262 0.000 1.081 288 L CA 2.894 57.592 54.840 -0.238 0.000 0.752 288 L CB -0.243 41.674 42.059 -0.236 0.000 0.896 288 L HN 0.209 8.363 8.230 -0.126 0.000 0.433 289 M N -1.040 118.453 119.600 -0.179 0.000 2.108 289 M HA -0.456 nan 4.480 nan 0.000 0.261 289 M C 1.626 177.848 176.300 -0.131 0.000 1.066 289 M CA 3.684 58.898 55.300 -0.143 0.000 1.107 289 M CB -0.376 32.170 32.600 -0.090 0.000 1.356 289 M HN -0.159 8.035 8.290 -0.148 0.007 0.406 290 K N -0.440 119.888 120.400 -0.121 0.000 2.057 290 K HA -0.260 nan 4.320 nan 0.000 0.206 290 K C 2.584 179.074 176.600 -0.184 0.000 1.050 290 K CA 3.048 59.280 56.287 -0.092 0.000 0.935 290 K CB -0.276 32.194 32.500 -0.050 0.000 0.715 290 K HN -0.827 7.267 8.250 -0.117 0.085 0.439 291 I N -0.812 119.550 120.570 -0.347 0.000 2.179 291 I HA -0.518 nan 4.170 nan 0.000 0.242 291 I C 1.586 177.360 176.117 -0.572 0.000 1.088 291 I CA 3.807 64.677 61.300 -0.717 0.000 1.357 291 I CB -0.286 37.290 38.000 -0.707 0.000 1.051 291 I HN -0.304 7.733 8.210 -0.288 0.000 0.409 292 A N -1.094 121.464 122.820 -0.438 0.000 1.940 292 A HA -0.405 nan 4.320 nan 0.000 0.219 292 A C 1.940 179.455 177.584 -0.116 0.000 1.176 292 A CA 3.544 55.393 52.037 -0.314 0.000 0.631 292 A CB -0.937 17.850 19.000 -0.354 0.000 0.814 292 A HN 0.573 8.459 8.150 -0.440 0.000 0.446 293 N N -1.730 116.934 118.700 -0.060 0.000 2.188 293 N HA -0.277 nan 4.740 nan 0.000 0.184 293 N C 2.198 177.860 175.510 0.253 0.000 1.018 293 N CA 2.974 56.098 53.050 0.125 0.000 0.858 293 N CB -0.427 38.170 38.487 0.184 0.000 0.989 293 N HN -0.262 7.956 8.380 -0.112 0.095 0.426 294 D N 1.357 121.837 120.400 0.133 0.000 2.097 294 D HA -0.199 nan 4.640 nan 0.000 0.195 294 D C 2.440 178.899 176.300 0.265 0.000 0.989 294 D CA 3.345 57.494 54.000 0.249 0.000 0.827 294 D CB -0.092 40.899 40.800 0.319 0.000 0.966 294 D HN -0.190 8.175 8.370 -0.009 0.000 0.456 295 V N -0.110 119.868 119.914 0.107 0.000 2.255 295 V HA -0.441 nan 4.120 nan 0.000 0.247 295 V C 1.985 178.160 176.094 0.136 0.000 1.051 295 V CA 4.361 66.756 62.300 0.157 0.000 1.018 295 V CB -0.581 31.316 31.823 0.123 0.000 0.641 295 V HN 0.029 8.171 8.190 -0.080 0.000 0.445 296 R N -1.777 118.761 120.500 0.064 0.000 2.148 296 R HA -0.315 nan 4.340 nan 0.000 0.227 296 R C 1.844 178.084 176.300 -0.100 0.000 1.103 296 R CA 2.690 58.762 56.100 -0.047 0.000 0.983 296 R CB -0.522 29.690 30.300 -0.147 0.000 0.874 296 R HN -0.326 7.975 8.270 0.052 0.000 0.451 297 W N -2.079 119.252 121.300 0.050 0.000 2.443 297 W HA -0.150 nan 4.660 nan 0.000 0.296 297 W C 2.232 178.786 176.519 0.059 0.000 1.202 297 W CA 2.250 59.625 57.345 0.049 0.000 1.312 297 W CB 0.693 30.182 29.460 0.048 0.000 1.120 297 W HN -0.464 7.753 8.180 0.247 0.111 0.536 298 L N -1.093 120.312 121.223 0.303 0.000 2.201 298 L HA -0.388 nan 4.340 nan 0.000 0.212 298 L C 1.258 178.210 176.870 0.137 0.000 1.105 298 L CA 2.632 57.601 54.840 0.215 0.000 0.775 298 L CB -0.279 41.917 42.059 0.227 0.000 0.913 298 L HN 0.321 8.741 8.230 0.316 0.000 0.440 299 A N -5.369 117.514 122.820 0.105 0.000 2.308 299 A HA 0.069 nan 4.320 nan 0.000 0.217 299 A C -0.619 176.976 177.584 0.019 0.000 1.216 299 A CA -0.935 51.134 52.037 0.052 0.000 0.864 299 A CB -0.520 18.504 19.000 0.040 0.000 0.902 299 A HN -0.420 7.682 8.150 0.114 0.117 0.499 300 S N -0.465 115.247 115.700 0.021 0.000 2.572 300 S HA -0.028 nan 4.470 nan 0.000 0.279 300 S C -0.291 174.317 174.600 0.014 0.000 1.341 300 S CA 0.408 58.597 58.200 -0.018 0.000 1.043 300 S CB 0.908 64.091 63.200 -0.027 0.000 0.887 300 S HN -0.548 7.619 8.310 0.071 0.186 0.516 301 G N 2.802 111.599 108.800 -0.005 0.000 2.553 301 G HA2 -0.127 nan 3.960 nan 0.000 0.106 301 G HA3 -0.127 nan 3.960 nan 0.000 0.106 301 G C -2.332 172.566 174.900 -0.004 0.000 1.126 301 G CA 0.295 45.400 45.100 0.007 0.000 1.075 301 G HN -0.022 8.249 8.290 -0.031 0.000 0.472 302 P HA 0.214 nan 4.420 nan 0.000 0.222 302 P C 0.311 177.617 177.300 0.010 0.000 1.153 302 P CA 1.323 64.426 63.100 0.004 0.000 0.798 302 P CB 0.225 31.925 31.700 0.001 0.000 0.796 303 R N -2.115 118.391 120.500 0.011 0.000 2.167 303 R HA 0.161 nan 4.340 nan 0.000 0.201 303 R C 0.316 176.630 176.300 0.022 0.000 1.024 303 R CA 0.343 56.451 56.100 0.015 0.000 1.053 303 R CB -0.117 30.190 30.300 0.011 0.000 0.987 303 R HN 0.049 8.289 8.270 0.008 0.035 0.493 304 C N -1.211 118.104 119.300 0.025 0.000 2.395 304 C HA 0.446 nan 4.460 nan 0.000 0.315 304 C C -0.091 174.932 174.990 0.054 0.000 1.399 304 C CA -1.262 57.777 59.018 0.035 0.000 1.788 304 C CB -1.922 25.836 27.740 0.030 0.000 2.564 304 C HN -0.132 8.110 8.230 0.020 0.000 0.552 305 G N 0.346 109.182 108.800 0.061 0.000 3.291 305 G HA2 0.365 nan 3.960 nan 0.000 0.173 305 G HA3 0.365 nan 3.960 nan 0.000 0.173 305 G C -1.194 173.768 174.900 0.103 0.000 1.099 305 G CA -0.522 44.636 45.100 0.098 0.000 0.794 305 G HN -0.772 7.490 8.290 0.049 0.058 0.651 306 I N 1.518 122.164 120.570 0.127 0.000 2.729 306 I HA 0.047 nan 4.170 nan 0.000 0.256 306 I C 0.747 176.910 176.117 0.076 0.000 1.115 306 I CA 0.554 61.922 61.300 0.113 0.000 1.446 306 I CB 1.344 39.442 38.000 0.163 0.000 1.176 306 I HN -0.105 8.189 8.210 0.140 0.000 0.446 307 G N -0.156 108.687 108.800 0.071 0.000 2.341 307 G HA2 -0.470 nan 3.960 nan 0.000 0.292 307 G HA3 -0.470 nan 3.960 nan 0.000 0.292 307 G C -0.217 174.702 174.900 0.031 0.000 1.021 307 G CA 1.201 46.327 45.100 0.043 0.000 0.905 307 G HN -0.020 8.320 8.290 0.084 0.000 0.508 308 E N -2.692 117.534 120.200 0.042 0.000 2.285 308 E HA -0.115 nan 4.350 nan 0.000 0.194 308 E C -0.145 176.449 176.600 -0.011 0.000 0.997 308 E CA 1.181 57.590 56.400 0.016 0.000 0.845 308 E CB 0.793 30.511 29.700 0.030 0.000 0.782 308 E HN -0.128 8.251 8.360 0.067 0.021 0.491 309 I N -6.825 113.752 120.570 0.012 0.000 3.074 309 I HA 0.673 nan 4.170 nan 0.000 0.310 309 I C -1.788 174.334 176.117 0.008 0.000 1.153 309 I CA -2.735 58.561 61.300 -0.008 0.000 0.993 309 I CB 4.200 42.218 38.000 0.030 0.000 1.237 309 I HN -0.548 7.654 8.210 0.039 0.032 0.443 310 S N 0.066 115.765 115.700 -0.001 0.000 2.536 310 S HA 0.473 nan 4.470 nan 0.000 0.298 310 S C -1.473 173.138 174.600 0.017 0.000 1.083 310 S CA -1.688 56.515 58.200 0.006 0.000 0.995 310 S CB 2.350 65.548 63.200 -0.004 0.000 1.058 310 S HN 0.766 8.956 8.310 -0.018 0.109 0.488 311 I N -4.872 115.707 120.570 0.014 0.000 2.785 311 I HA 0.610 nan 4.170 nan 0.000 0.302 311 I C -2.268 173.851 176.117 0.004 0.000 1.069 311 I CA -3.550 57.756 61.300 0.010 0.000 1.045 311 I CB 2.471 40.475 38.000 0.008 0.000 1.236 311 I HN 0.128 8.343 8.210 0.009 0.000 0.429 312 P HA -0.030 nan 4.420 nan 0.000 0.265 312 P C -1.865 175.436 177.300 0.003 0.000 1.193 312 P CA -0.156 62.947 63.100 0.006 0.000 0.765 312 P CB 0.731 32.438 31.700 0.013 0.000 0.823 313 E N 3.410 123.610 120.200 0.001 0.000 2.044 313 E HA -0.048 nan 4.350 nan 0.000 0.282 313 E C -0.892 175.703 176.600 -0.009 0.000 1.031 313 E CA -0.410 55.986 56.400 -0.006 0.000 0.824 313 E CB 0.385 30.081 29.700 -0.006 0.000 1.076 313 E HN 0.234 8.596 8.360 0.002 0.000 0.395 314 N N 5.231 123.921 118.700 -0.018 0.000 2.415 314 N HA -0.013 nan 4.740 nan 0.000 0.174 314 N C -0.617 174.867 175.510 -0.042 0.000 1.048 314 N CA 1.035 54.064 53.050 -0.035 0.000 0.895 314 N CB 0.677 39.124 38.487 -0.067 0.000 1.036 314 N HN 0.492 8.861 8.380 -0.018 0.000 0.449 315 E N -0.448 119.731 120.200 -0.035 0.000 2.214 315 E HA 0.478 nan 4.350 nan 0.000 0.274 315 E C -1.966 174.621 176.600 -0.022 0.000 0.977 315 E CA -2.421 53.960 56.400 -0.032 0.000 0.827 315 E CB 0.666 30.347 29.700 -0.032 0.000 1.130 315 E HN -0.420 7.923 8.360 -0.030 0.000 0.394 316 P HA 0.012 nan 4.420 nan 0.000 0.269 316 P C -1.490 175.802 177.300 -0.013 0.000 1.215 316 P CA 0.093 63.185 63.100 -0.014 0.000 0.780 316 P CB 0.937 32.630 31.700 -0.013 0.000 0.898 317 G N -0.338 108.455 108.800 -0.011 0.000 2.630 317 G HA2 0.208 nan 3.960 nan 0.000 0.296 317 G HA3 0.208 nan 3.960 nan 0.000 0.296 317 G C -1.356 173.539 174.900 -0.008 0.000 1.285 317 G CA -1.194 43.900 45.100 -0.011 0.000 0.958 317 G HN -0.064 8.220 8.290 -0.010 0.000 0.479 318 S N 0.634 116.329 115.700 -0.008 0.000 2.549 318 S HA 0.012 nan 4.470 nan 0.000 0.283 318 S C 1.515 176.112 174.600 -0.005 0.000 1.320 318 S CA -0.038 58.158 58.200 -0.006 0.000 1.058 318 S CB 0.545 63.742 63.200 -0.006 0.000 0.882 318 S HN 0.184 8.488 8.310 -0.009 0.000 0.498 319 S N 5.454 121.151 115.700 -0.004 0.000 2.359 319 S HA -0.207 nan 4.470 nan 0.000 0.224 319 S C 1.200 175.798 174.600 -0.003 0.000 1.035 319 S CA 2.231 60.429 58.200 -0.004 0.000 1.018 319 S CB 0.343 63.541 63.200 -0.003 0.000 0.876 319 S HN 0.433 8.741 8.310 -0.004 0.000 0.448 320 I N -0.284 120.284 120.570 -0.003 0.000 3.444 320 I HA -0.190 nan 4.170 nan 0.000 0.287 320 I C -1.153 174.962 176.117 -0.003 0.000 1.302 320 I CA 0.734 62.033 61.300 -0.003 0.000 1.368 320 I CB 0.460 38.458 38.000 -0.002 0.000 1.048 320 I HN -0.182 8.026 8.210 -0.003 0.000 0.487 321 M N 0.556 120.154 119.600 -0.004 0.000 2.944 321 M HA 0.376 nan 4.480 nan 0.000 0.235 321 M C -2.292 174.005 176.300 -0.005 0.000 1.188 321 M CA -2.841 52.456 55.300 -0.005 0.000 0.688 321 M CB 0.930 33.526 32.600 -0.006 0.000 1.406 321 M HN -0.505 7.582 8.290 -0.004 0.200 0.479 322 P HA 0.022 nan 4.420 nan 0.000 0.275 322 P C 0.102 177.400 177.300 -0.005 0.000 1.227 322 P CA 0.753 63.850 63.100 -0.004 0.000 0.781 322 P CB 0.235 31.933 31.700 -0.003 0.000 0.906 323 G N 1.688 110.484 108.800 -0.005 0.000 2.308 323 G HA2 -0.341 nan 3.960 nan 0.000 0.221 323 G HA3 -0.341 nan 3.960 nan 0.000 0.221 323 G C -0.772 174.123 174.900 -0.009 0.000 1.032 323 G CA -0.308 44.789 45.100 -0.006 0.000 0.623 323 G HN 0.303 8.589 8.290 -0.006 0.000 0.506 324 K N 4.060 124.453 120.400 -0.011 0.000 2.166 324 K HA 0.059 nan 4.320 nan 0.000 0.273 324 K C -0.702 175.887 176.600 -0.018 0.000 1.095 324 K CA -0.033 56.245 56.287 -0.015 0.000 0.985 324 K CB -0.287 32.203 32.500 -0.016 0.000 1.172 324 K HN -0.486 7.688 8.250 -0.009 0.071 0.401 325 V N 8.108 128.010 119.914 -0.020 0.000 2.293 325 V HA 0.125 nan 4.120 nan 0.000 0.275 325 V C -0.429 175.648 176.094 -0.029 0.000 1.021 325 V CA -1.267 61.021 62.300 -0.020 0.000 0.815 325 V CB 0.440 32.255 31.823 -0.014 0.000 1.025 325 V HN -0.082 8.096 8.190 -0.020 0.000 0.448 326 N N 8.758 127.439 118.700 -0.032 0.000 2.497 326 N HA 0.254 nan 4.740 nan 0.000 0.268 326 N C -1.470 174.019 175.510 -0.035 0.000 1.171 326 N CA -2.257 50.768 53.050 -0.042 0.000 0.948 326 N CB 0.366 38.829 38.487 -0.039 0.000 1.069 326 N HN 0.298 8.661 8.380 -0.027 0.000 0.460 327 P HA 0.181 nan 4.420 nan 0.000 0.230 327 P C -0.049 177.247 177.300 -0.007 0.000 1.791 327 P CA -0.427 62.660 63.100 -0.021 0.000 1.020 327 P CB -1.407 30.269 31.700 -0.040 0.000 1.977 328 T N -0.034 114.516 114.554 -0.005 0.000 2.720 328 T HA -0.434 nan 4.350 nan 0.000 0.268 328 T C 1.758 176.475 174.700 0.027 0.000 1.037 328 T CA 3.899 65.999 62.100 -0.001 0.000 1.144 328 T CB -0.429 68.431 68.868 -0.013 0.000 0.864 328 T HN 0.171 8.348 8.240 -0.010 0.057 0.444 329 Q N 0.577 120.417 119.800 0.065 0.000 2.167 329 Q HA -0.147 nan 4.340 nan 0.000 0.202 329 Q C 1.972 178.072 176.000 0.166 0.000 0.970 329 Q CA 2.838 58.724 55.803 0.139 0.000 0.855 329 Q CB -1.047 27.810 28.738 0.199 0.000 0.911 329 Q HN 0.294 8.596 8.270 0.053 0.000 0.438 330 C N 0.618 119.999 119.300 0.136 0.000 2.440 330 C HA -0.233 nan 4.460 nan 0.000 0.278 330 C C 1.964 176.946 174.990 -0.014 0.000 1.295 330 C CA 3.775 62.834 59.018 0.067 0.000 1.738 330 C CB -1.308 26.464 27.740 0.053 0.000 1.987 330 C HN -0.284 7.920 8.230 0.116 0.096 0.492 331 E N -0.176 120.018 120.200 -0.010 0.000 2.106 331 E HA -0.362 nan 4.350 nan 0.000 0.192 331 E C 2.270 178.857 176.600 -0.021 0.000 0.984 331 E CA 3.063 59.447 56.400 -0.027 0.000 0.806 331 E CB -0.329 29.355 29.700 -0.028 0.000 0.750 331 E HN -0.185 8.094 8.360 0.003 0.082 0.458 332 A N -0.261 122.556 122.820 -0.004 0.000 1.898 332 A HA -0.160 nan 4.320 nan 0.000 0.216 332 A C 1.994 179.564 177.584 -0.023 0.000 1.181 332 A CA 2.947 54.983 52.037 -0.003 0.000 0.620 332 A CB -0.474 18.538 19.000 0.020 0.000 0.819 332 A HN -0.108 7.970 8.150 0.012 0.079 0.442 333 L N -2.326 118.872 121.223 -0.042 0.000 2.056 333 L HA -0.310 nan 4.340 nan 0.000 0.207 333 L C 1.987 178.787 176.870 -0.117 0.000 1.078 333 L CA 3.104 57.878 54.840 -0.110 0.000 0.749 333 L CB -0.153 41.765 42.059 -0.236 0.000 0.901 333 L HN -0.179 8.042 8.230 -0.016 0.000 0.433 334 T N -2.082 112.412 114.554 -0.101 0.000 2.788 334 T HA -0.378 nan 4.350 nan 0.000 0.268 334 T C 2.291 176.958 174.700 -0.055 0.000 1.044 334 T CA 3.673 65.724 62.100 -0.082 0.000 1.139 334 T CB -0.470 68.361 68.868 -0.062 0.000 0.867 334 T HN 0.148 8.333 8.240 -0.092 0.000 0.454 335 M N 1.354 120.929 119.600 -0.042 0.000 2.117 335 M HA -0.319 nan 4.480 nan 0.000 0.262 335 M C 2.088 178.372 176.300 -0.027 0.000 1.065 335 M CA 3.910 59.194 55.300 -0.027 0.000 1.114 335 M CB -0.039 32.550 32.600 -0.018 0.000 1.361 335 M HN -0.495 7.769 8.290 -0.043 0.000 0.408 336 L N -3.935 117.266 121.223 -0.036 0.000 2.291 336 L HA -0.096 nan 4.340 nan 0.000 0.214 336 L C 1.498 178.339 176.870 -0.048 0.000 1.120 336 L CA 2.946 57.764 54.840 -0.037 0.000 0.799 336 L CB -1.448 40.587 42.059 -0.040 0.000 0.925 336 L HN -0.381 7.824 8.230 -0.041 0.000 0.446 337 C N 0.360 119.623 119.300 -0.062 0.000 2.466 337 C HA -0.281 nan 4.460 nan 0.000 0.278 337 C C 2.121 177.085 174.990 -0.044 0.000 1.288 337 C CA 4.305 63.282 59.018 -0.069 0.000 1.722 337 C CB -2.132 25.555 27.740 -0.089 0.000 2.017 337 C HN -0.355 7.732 8.230 -0.068 0.103 0.488 338 C N 0.306 119.587 119.300 -0.031 0.000 2.425 338 C HA -0.347 nan 4.460 nan 0.000 0.277 338 C C 1.877 176.865 174.990 -0.004 0.000 1.280 338 C CA 4.465 63.474 59.018 -0.015 0.000 1.744 338 C CB -1.861 25.873 27.740 -0.009 0.000 1.989 338 C HN -0.030 8.179 8.230 -0.036 0.000 0.491 339 Q N 0.044 119.841 119.800 -0.005 0.000 2.050 339 Q HA -0.262 nan 4.340 nan 0.000 0.202 339 Q C 2.119 178.130 176.000 0.018 0.000 0.980 339 Q CA 2.896 58.703 55.803 0.007 0.000 0.840 339 Q CB -0.603 28.136 28.738 0.000 0.000 0.898 339 Q HN -0.480 7.674 8.270 -0.015 0.107 0.424 340 V N 0.579 120.496 119.914 0.005 0.000 2.392 340 V HA -0.436 nan 4.120 nan 0.000 0.249 340 V C 2.369 178.515 176.094 0.086 0.000 1.059 340 V CA 4.370 66.691 62.300 0.034 0.000 1.051 340 V CB -1.019 30.773 31.823 -0.052 0.000 0.658 340 V HN -0.191 7.988 8.190 -0.018 0.000 0.455 341 M N -2.229 117.392 119.600 0.035 0.000 2.117 341 M HA -0.282 nan 4.480 nan 0.000 0.262 341 M C 2.603 178.934 176.300 0.052 0.000 1.065 341 M CA 2.221 57.544 55.300 0.039 0.000 1.114 341 M CB -1.616 30.990 32.600 0.011 0.000 1.361 341 M HN -0.367 7.918 8.290 0.007 0.010 0.408 342 G N -1.406 107.419 108.800 0.041 0.000 2.408 342 G HA2 -0.374 nan 3.960 nan 0.000 0.217 342 G HA3 -0.374 nan 3.960 nan 0.000 0.217 342 G C 1.065 175.990 174.900 0.043 0.000 1.150 342 G CA 1.982 47.105 45.100 0.039 0.000 0.776 342 G HN -0.098 8.134 8.290 0.033 0.078 0.542 343 N N 1.514 120.244 118.700 0.049 0.000 2.223 343 N HA -0.327 nan 4.740 nan 0.000 0.185 343 N C 1.862 177.320 175.510 -0.087 0.000 1.016 343 N CA 2.448 55.499 53.050 0.003 0.000 0.863 343 N CB -0.445 38.047 38.487 0.009 0.000 0.983 343 N HN 0.051 8.400 8.380 0.060 0.067 0.429 344 D N 0.039 120.454 120.400 0.025 0.000 2.117 344 D HA -0.210 nan 4.640 nan 0.000 0.197 344 D C 2.189 178.490 176.300 0.002 0.000 0.987 344 D CA 3.540 57.559 54.000 0.032 0.000 0.829 344 D CB 0.201 41.131 40.800 0.216 0.000 0.961 344 D HN -0.303 8.035 8.370 0.132 0.112 0.460 345 V N -0.079 119.847 119.914 0.019 0.000 2.295 345 V HA -0.352 nan 4.120 nan 0.000 0.246 345 V C 1.808 177.906 176.094 0.007 0.000 1.049 345 V CA 3.300 65.608 62.300 0.014 0.000 1.024 345 V CB -0.731 31.103 31.823 0.019 0.000 0.648 345 V HN -0.755 7.455 8.190 0.033 0.000 0.447 346 A N -0.694 122.136 122.820 0.017 0.000 1.902 346 A HA -0.351 nan 4.320 nan 0.000 0.217 346 A C 2.017 179.619 177.584 0.030 0.000 1.181 346 A CA 3.396 55.461 52.037 0.046 0.000 0.623 346 A CB -0.836 18.219 19.000 0.091 0.000 0.818 346 A HN -0.533 7.628 8.150 0.018 0.000 0.443 347 I N -2.044 118.515 120.570 -0.019 0.000 2.252 347 I HA -0.620 nan 4.170 nan 0.000 0.245 347 I C 1.887 177.991 176.117 -0.022 0.000 1.102 347 I CA 4.144 65.427 61.300 -0.027 0.000 1.385 347 I CB -0.390 37.535 38.000 -0.124 0.000 1.064 347 I HN -0.077 8.099 8.210 -0.058 0.000 0.414 348 N N 0.685 119.372 118.700 -0.022 0.000 2.084 348 N HA -0.308 nan 4.740 nan 0.000 0.190 348 N C 2.508 177.981 175.510 -0.061 0.000 1.030 348 N CA 3.154 56.191 53.050 -0.023 0.000 0.849 348 N CB -0.501 37.982 38.487 -0.006 0.000 1.012 348 N HN 0.042 8.408 8.380 -0.023 0.000 0.423 349 M N -0.910 118.649 119.600 -0.068 0.000 2.117 349 M HA -0.324 nan 4.480 nan 0.000 0.262 349 M C 2.192 178.327 176.300 -0.275 0.000 1.065 349 M CA 3.992 59.215 55.300 -0.128 0.000 1.114 349 M CB -0.071 32.482 32.600 -0.079 0.000 1.361 349 M HN 0.198 8.465 8.290 -0.039 0.000 0.408 350 G N -3.160 105.508 108.800 -0.220 0.000 2.402 350 G HA2 -0.221 nan 3.960 nan 0.000 0.216 350 G HA3 -0.221 nan 3.960 nan 0.000 0.216 350 G C 1.898 176.641 174.900 -0.261 0.000 1.162 350 G CA 1.414 46.305 45.100 -0.348 0.000 0.777 350 G HN -0.350 7.886 8.290 -0.090 0.000 0.539 351 G N 1.237 109.970 108.800 -0.111 0.000 2.448 351 G HA2 -0.259 nan 3.960 nan 0.000 0.219 351 G HA3 -0.259 nan 3.960 nan 0.000 0.219 351 G C 0.627 175.474 174.900 -0.089 0.000 1.127 351 G CA 1.208 46.273 45.100 -0.059 0.000 0.766 351 G HN 0.342 8.473 8.290 -0.078 0.112 0.552 352 A N -0.199 122.538 122.820 -0.138 0.000 2.169 352 A HA 0.125 nan 4.320 nan 0.000 0.212 352 A C 0.533 178.012 177.584 -0.175 0.000 1.153 352 A CA 1.102 53.064 52.037 -0.126 0.000 0.756 352 A CB -0.101 18.835 19.000 -0.107 0.000 0.813 352 A HN -0.123 7.919 8.150 -0.156 0.015 0.471 353 S N -0.587 114.928 115.700 -0.308 0.000 2.622 353 S HA 0.054 nan 4.470 nan 0.000 0.236 353 S C 0.082 174.609 174.600 -0.122 0.000 0.956 353 S CA -0.717 57.274 58.200 -0.348 0.000 0.971 353 S CB 0.084 62.751 63.200 -0.889 0.000 0.782 353 S HN -0.670 7.236 8.310 -0.392 0.169 0.468 354 G N 0.665 109.430 108.800 -0.058 0.000 2.544 354 G HA2 0.025 nan 3.960 nan 0.000 0.242 354 G HA3 0.025 nan 3.960 nan 0.000 0.242 354 G C -1.396 173.476 174.900 -0.046 0.000 1.247 354 G CA -0.387 44.728 45.100 0.024 0.000 0.840 354 G HN -0.484 7.684 8.290 -0.087 0.070 0.578 355 N N 2.810 121.483 118.700 -0.044 0.000 2.430 355 N HA 0.300 nan 4.740 nan 0.000 0.290 355 N C -0.502 174.924 175.510 -0.139 0.000 1.063 355 N CA -0.520 52.369 53.050 -0.268 0.000 0.883 355 N CB 2.497 40.866 38.487 -0.197 0.000 1.465 355 N HN -0.501 7.906 8.380 0.046 0.000 0.493 356 F N 1.082 121.066 119.950 0.057 0.000 2.756 356 F HA -0.530 nan 4.527 nan 0.000 0.240 356 F C 0.851 176.696 175.800 0.075 0.000 1.487 356 F CA 2.271 60.304 58.000 0.055 0.000 1.859 356 F CB -1.595 37.433 39.000 0.047 0.000 1.319 356 F HN 0.509 8.433 8.300 -0.627 0.000 0.230 357 E N 0.104 120.502 120.200 0.330 0.000 2.427 357 E HA -0.003 nan 4.350 nan 0.000 0.196 357 E C -0.863 175.840 176.600 0.172 0.000 1.028 357 E CA 0.852 57.389 56.400 0.229 0.000 0.864 357 E CB 0.490 30.309 29.700 0.199 0.000 0.813 357 E HN 0.200 8.795 8.360 0.392 0.000 0.514 358 L N -1.591 119.728 121.223 0.160 0.000 2.482 358 L HA 0.181 nan 4.340 nan 0.000 0.263 358 L C -2.500 174.441 176.870 0.119 0.000 0.957 358 L CA -0.204 54.707 54.840 0.119 0.000 0.836 358 L CB 3.852 45.968 42.059 0.096 0.000 1.324 358 L HN -0.751 7.550 8.230 0.189 0.042 0.406 359 N N 4.568 123.336 118.700 0.114 0.000 2.419 359 N HA 0.278 nan 4.740 nan 0.000 0.264 359 N C -1.347 174.259 175.510 0.160 0.000 1.031 359 N CA -0.343 52.799 53.050 0.153 0.000 0.951 359 N CB 1.795 40.362 38.487 0.134 0.000 1.101 359 N HN -0.062 8.377 8.380 0.099 0.000 0.488 360 V N -0.285 119.746 119.914 0.195 0.000 2.776 360 V HA 0.361 nan 4.120 nan 0.000 0.332 360 V C -1.189 174.838 176.094 -0.112 0.000 1.201 360 V CA -1.687 60.633 62.300 0.032 0.000 1.401 360 V CB -1.944 29.844 31.823 -0.059 0.000 1.552 360 V HN 0.247 8.612 8.190 0.291 0.000 0.605 361 F N -0.614 119.356 119.950 0.034 0.000 2.817 361 F HA 0.381 nan 4.527 nan 0.000 0.319 361 F C 0.616 176.456 175.800 0.066 0.000 1.136 361 F CA -1.015 57.016 58.000 0.051 0.000 1.177 361 F CB 1.754 40.787 39.000 0.055 0.000 1.088 361 F HN 0.005 8.696 8.300 0.309 -0.205 0.520 362 R N 1.043 121.654 120.500 0.185 0.000 2.080 362 R HA -0.244 nan 4.340 nan 0.000 0.236 362 R C -1.222 175.232 176.300 0.258 0.000 1.137 362 R CA 6.255 62.492 56.100 0.229 0.000 0.943 362 R CB -2.659 27.834 30.300 0.322 0.000 0.846 362 R HN -0.549 7.728 8.270 0.128 0.070 0.431 363 P HA -0.224 nan 4.420 nan 0.000 0.216 363 P C 1.418 178.721 177.300 0.005 0.000 1.150 363 P CA 3.292 66.447 63.100 0.092 0.000 0.837 363 P CB -0.435 31.164 31.700 -0.168 0.000 0.786 364 M N -2.141 117.473 119.600 0.024 0.000 2.132 364 M HA -0.215 nan 4.480 nan 0.000 0.263 364 M C 1.804 178.217 176.300 0.188 0.000 1.065 364 M CA 2.880 58.243 55.300 0.106 0.000 1.122 364 M CB -0.650 32.131 32.600 0.302 0.000 1.365 364 M HN -0.611 7.699 8.290 0.054 0.012 0.411 365 V N 0.789 120.808 119.914 0.175 0.000 2.261 365 V HA -0.426 nan 4.120 nan 0.000 0.246 365 V C 2.162 178.335 176.094 0.132 0.000 1.047 365 V CA 4.738 67.123 62.300 0.141 0.000 1.015 365 V CB -0.881 31.016 31.823 0.123 0.000 0.642 365 V HN -0.496 7.726 8.190 0.187 0.080 0.446 366 I N -0.798 119.841 120.570 0.114 0.000 2.394 366 I HA -0.440 nan 4.170 nan 0.000 0.251 366 I C 0.880 177.065 176.117 0.114 0.000 1.136 366 I CA 2.080 63.432 61.300 0.086 0.000 1.425 366 I CB -0.266 37.726 38.000 -0.014 0.000 1.079 366 I HN 0.116 8.401 8.210 0.126 0.000 0.425 367 H N 0.803 119.880 119.070 0.011 0.000 2.319 367 H HA -0.403 nan 4.556 nan 0.000 0.299 367 H C 2.044 177.395 175.328 0.038 0.000 1.092 367 H CA 4.603 60.637 56.048 -0.024 0.000 1.302 367 H CB -0.214 29.461 29.762 -0.144 0.000 1.373 367 H HN 0.017 8.401 8.280 0.173 0.000 0.497 368 N N -0.658 118.005 118.700 -0.062 0.000 2.216 368 N HA -0.291 nan 4.740 nan 0.000 0.183 368 N C 1.907 177.386 175.510 -0.051 0.000 1.017 368 N CA 3.716 56.698 53.050 -0.112 0.000 0.861 368 N CB -0.003 38.472 38.487 -0.019 0.000 0.986 368 N HN -0.280 8.169 8.380 0.116 0.000 0.428 369 F N 1.955 121.855 119.950 -0.083 0.000 2.075 369 F HA -0.321 nan 4.527 nan 0.000 0.297 369 F C 1.109 176.916 175.800 0.012 0.000 1.113 369 F CA 4.072 62.078 58.000 0.009 0.000 1.218 369 F CB 0.410 39.420 39.000 0.016 0.000 0.984 369 F HN 0.030 8.447 8.300 0.194 0.000 0.472 370 L N -3.068 118.276 121.223 0.202 0.000 2.141 370 L HA -0.477 nan 4.340 nan 0.000 0.209 370 L C 1.991 178.836 176.870 -0.041 0.000 1.094 370 L CA 2.897 57.791 54.840 0.091 0.000 0.763 370 L CB -0.548 41.552 42.059 0.069 0.000 0.908 370 L HN 0.142 8.506 8.230 0.223 0.000 0.437 371 Q N -0.106 119.629 119.800 -0.108 0.000 2.079 371 Q HA -0.374 nan 4.340 nan 0.000 0.200 371 Q C 2.451 178.390 176.000 -0.102 0.000 0.974 371 Q CA 3.484 59.209 55.803 -0.130 0.000 0.840 371 Q CB -0.208 28.399 28.738 -0.219 0.000 0.898 371 Q HN -0.413 7.762 8.270 -0.131 0.016 0.430 372 S N 1.010 116.645 115.700 -0.109 0.000 2.368 372 S HA -0.361 nan 4.470 nan 0.000 0.225 372 S C 2.122 176.618 174.600 -0.173 0.000 1.030 372 S CA 3.791 61.921 58.200 -0.117 0.000 0.999 372 S CB -0.067 63.102 63.200 -0.052 0.000 0.844 372 S HN -0.402 7.844 8.310 -0.107 0.000 0.459 373 V N 2.005 121.790 119.914 -0.216 0.000 2.343 373 V HA -0.421 nan 4.120 nan 0.000 0.247 373 V C 1.710 177.750 176.094 -0.091 0.000 1.051 373 V CA 4.471 66.671 62.300 -0.168 0.000 1.036 373 V CB -1.068 30.684 31.823 -0.118 0.000 0.654 373 V HN -0.284 7.760 8.190 -0.243 0.000 0.451 374 R N -0.632 119.826 120.500 -0.070 0.000 2.081 374 R HA -0.336 nan 4.340 nan 0.000 0.235 374 R C 2.416 178.690 176.300 -0.043 0.000 1.131 374 R CA 3.625 59.699 56.100 -0.044 0.000 0.960 374 R CB -0.129 30.148 30.300 -0.038 0.000 0.856 374 R HN -0.367 7.856 8.270 -0.077 0.000 0.436 375 L N -1.051 120.138 121.223 -0.056 0.000 2.027 375 L HA -0.357 nan 4.340 nan 0.000 0.206 375 L C 2.377 179.214 176.870 -0.055 0.000 1.074 375 L CA 3.076 57.887 54.840 -0.048 0.000 0.745 375 L CB -0.126 41.901 42.059 -0.053 0.000 0.898 375 L HN 0.185 8.270 8.230 -0.069 0.104 0.433 376 L N -2.082 119.094 121.223 -0.078 0.000 2.056 376 L HA -0.425 nan 4.340 nan 0.000 0.207 376 L C 2.120 178.956 176.870 -0.056 0.000 1.078 376 L CA 3.076 57.867 54.840 -0.083 0.000 0.749 376 L CB -0.769 41.221 42.059 -0.115 0.000 0.901 376 L HN 0.178 8.352 8.230 -0.093 0.000 0.433 377 A N -0.538 122.254 122.820 -0.047 0.000 1.858 377 A HA -0.402 nan 4.320 nan 0.000 0.216 377 A C 1.917 179.496 177.584 -0.008 0.000 1.190 377 A CA 3.556 55.578 52.037 -0.026 0.000 0.617 377 A CB -0.972 18.014 19.000 -0.023 0.000 0.827 377 A HN 0.436 8.551 8.150 -0.058 0.000 0.443 378 D N -1.866 118.531 120.400 -0.005 0.000 2.144 378 D HA -0.218 nan 4.640 nan 0.000 0.200 378 D C 2.663 178.979 176.300 0.028 0.000 0.978 378 D CA 2.969 56.977 54.000 0.013 0.000 0.833 378 D CB -0.410 40.398 40.800 0.012 0.000 0.961 378 D HN -0.336 8.025 8.370 -0.015 0.000 0.470 379 G N -0.584 108.222 108.800 0.010 0.000 2.418 379 G HA2 -0.298 nan 3.960 nan 0.000 0.217 379 G HA3 -0.298 nan 3.960 nan 0.000 0.217 379 G C 1.255 176.185 174.900 0.051 0.000 1.158 379 G CA 2.069 47.180 45.100 0.017 0.000 0.771 379 G HN 0.196 8.368 8.290 -0.010 0.112 0.545 380 M N 1.236 120.854 119.600 0.030 0.000 2.132 380 M HA -0.378 nan 4.480 nan 0.000 0.263 380 M C 1.794 178.159 176.300 0.108 0.000 1.065 380 M CA 4.072 59.416 55.300 0.074 0.000 1.122 380 M CB -0.173 32.446 32.600 0.031 0.000 1.365 380 M HN -0.140 8.150 8.290 0.001 0.000 0.411 381 E N 0.018 120.252 120.200 0.057 0.000 2.038 381 E HA -0.371 nan 4.350 nan 0.000 0.195 381 E C 2.273 178.889 176.600 0.027 0.000 1.000 381 E CA 3.267 59.684 56.400 0.029 0.000 0.803 381 E CB -0.372 29.338 29.700 0.015 0.000 0.750 381 E HN -0.365 8.019 8.360 0.039 0.000 0.448 382 S N -0.833 114.918 115.700 0.084 0.000 2.356 382 S HA -0.285 nan 4.470 nan 0.000 0.223 382 S C 2.243 176.944 174.600 0.169 0.000 1.032 382 S CA 3.221 61.516 58.200 0.157 0.000 1.005 382 S CB -0.153 63.164 63.200 0.195 0.000 0.867 382 S HN -0.177 8.185 8.310 0.086 0.000 0.449 383 F N 1.948 121.911 119.950 0.023 0.000 2.171 383 F HA -0.330 nan 4.527 nan 0.000 0.300 383 F C 0.874 176.671 175.800 -0.005 0.000 1.090 383 F CA 2.905 60.912 58.000 0.011 0.000 1.293 383 F CB 0.128 39.118 39.000 -0.018 0.000 1.013 383 F HN -0.118 8.356 8.300 0.290 0.000 0.486 384 N N -0.380 118.319 118.700 -0.002 0.000 2.022 384 N HA -0.463 nan 4.740 nan 0.000 0.194 384 N C 1.763 177.161 175.510 -0.187 0.000 1.057 384 N CA 3.869 56.855 53.050 -0.107 0.000 0.849 384 N CB 0.094 38.576 38.487 -0.009 0.000 1.044 384 N HN 0.135 8.590 8.380 0.144 0.012 0.424 385 K N -0.458 119.811 120.400 -0.220 0.000 2.097 385 K HA -0.258 nan 4.320 nan 0.000 0.206 385 K C 2.092 178.458 176.600 -0.390 0.000 1.049 385 K CA 2.703 58.782 56.287 -0.347 0.000 0.933 385 K CB 0.038 32.237 32.500 -0.501 0.000 0.717 385 K HN -0.063 8.078 8.250 -0.182 0.000 0.442 386 H N -5.321 113.708 119.070 -0.070 0.000 2.517 386 H HA 0.186 nan 4.556 nan 0.000 0.282 386 H C -0.918 174.337 175.328 -0.122 0.000 1.023 386 H CA 0.046 56.053 56.048 -0.069 0.000 1.169 386 H CB 0.146 29.890 29.762 -0.030 0.000 1.454 386 H HN -0.090 8.031 8.280 -0.264 0.000 0.556 387 C N -2.174 117.027 119.300 -0.166 0.000 3.330 387 C HA 0.214 nan 4.460 nan 0.000 0.411 387 C C 0.209 174.996 174.990 -0.338 0.000 1.640 387 C CA 0.482 59.336 59.018 -0.274 0.000 2.082 387 C CB 1.635 29.112 27.740 -0.437 0.000 2.488 387 C HN -0.641 7.400 8.230 -0.227 0.053 0.520 388 A N 2.137 124.616 122.820 -0.568 0.000 1.892 388 A HA -0.286 nan 4.320 nan 0.000 0.218 388 A C 1.976 179.489 177.584 -0.118 0.000 1.188 388 A CA 3.414 55.243 52.037 -0.346 0.000 0.631 388 A CB -0.480 18.311 19.000 -0.349 0.000 0.822 388 A HN 0.340 7.998 8.150 -0.819 0.000 0.447 389 V N -6.669 113.175 119.914 -0.117 0.000 2.594 389 V HA -0.249 nan 4.120 nan 0.000 0.253 389 V C 1.447 177.530 176.094 -0.019 0.000 1.069 389 V CA 2.476 64.742 62.300 -0.057 0.000 1.082 389 V CB -1.026 30.757 31.823 -0.067 0.000 0.680 389 V HN -0.232 7.860 8.190 -0.164 0.000 0.469 390 G N -2.215 106.570 108.800 -0.025 0.000 3.434 390 G HA2 0.182 nan 3.960 nan 0.000 0.258 390 G HA3 0.182 nan 3.960 nan 0.000 0.258 390 G C -0.861 174.067 174.900 0.047 0.000 1.128 390 G CA -1.278 43.830 45.100 0.013 0.000 0.792 390 G HN -0.496 7.603 8.290 -0.068 0.151 0.539 391 I N 2.088 122.707 120.570 0.082 0.000 2.517 391 I HA -0.225 nan 4.170 nan 0.000 0.285 391 I C -1.138 175.096 176.117 0.195 0.000 1.106 391 I CA 1.575 62.958 61.300 0.138 0.000 1.402 391 I CB -0.088 38.040 38.000 0.214 0.000 1.399 391 I HN -0.736 7.456 8.210 0.069 0.059 0.535 392 E N 7.951 128.193 120.200 0.070 0.000 2.288 392 E HA 0.651 nan 4.350 nan 0.000 0.268 392 E C -2.580 173.906 176.600 -0.190 0.000 0.885 392 E CA -3.586 52.797 56.400 -0.029 0.000 0.767 392 E CB 2.632 32.339 29.700 0.010 0.000 1.220 392 E HN 0.514 8.899 8.360 0.042 0.000 0.427 393 P HA 0.306 nan 4.420 nan 0.000 0.286 393 P C -1.035 176.159 177.300 -0.177 0.000 1.261 393 P CA -1.030 61.862 63.100 -0.345 0.000 0.821 393 P CB 0.784 32.149 31.700 -0.558 0.000 1.013 394 N N 4.059 122.691 118.700 -0.112 0.000 3.083 394 N HA 0.226 nan 4.740 nan 0.000 0.260 394 N C 0.521 175.994 175.510 -0.061 0.000 1.163 394 N CA -1.559 51.452 53.050 -0.065 0.000 1.060 394 N CB -0.868 37.598 38.487 -0.035 0.000 1.345 394 N HN 0.281 8.490 8.380 -0.107 0.107 0.515 395 R N 2.227 122.684 120.500 -0.071 0.000 2.140 395 R HA -0.507 nan 4.340 nan 0.000 0.250 395 R C 1.311 177.593 176.300 -0.031 0.000 1.150 395 R CA 4.592 60.659 56.100 -0.055 0.000 0.966 395 R CB -0.451 29.820 30.300 -0.047 0.000 0.869 395 R HN -0.568 7.623 8.270 -0.080 0.031 0.445 396 E N -1.468 118.719 120.200 -0.022 0.000 2.031 396 E HA -0.322 nan 4.350 nan 0.000 0.193 396 E C 2.445 179.040 176.600 -0.009 0.000 0.994 396 E CA 3.138 59.531 56.400 -0.012 0.000 0.800 396 E CB -0.875 28.820 29.700 -0.008 0.000 0.752 396 E HN 0.072 8.417 8.360 -0.025 0.000 0.447 397 R N -0.633 119.861 120.500 -0.010 0.000 2.091 397 R HA -0.227 nan 4.340 nan 0.000 0.238 397 R C 2.737 179.035 176.300 -0.003 0.000 1.136 397 R CA 2.288 58.386 56.100 -0.004 0.000 0.959 397 R CB -0.868 29.431 30.300 -0.002 0.000 0.856 397 R HN -0.634 7.627 8.270 -0.015 0.000 0.437 398 I N -0.764 119.798 120.570 -0.013 0.000 2.226 398 I HA -0.565 nan 4.170 nan 0.000 0.245 398 I C 1.772 177.886 176.117 -0.005 0.000 1.100 398 I CA 4.127 65.419 61.300 -0.013 0.000 1.374 398 I CB -0.471 37.509 38.000 -0.033 0.000 1.057 398 I HN 0.094 8.290 8.210 -0.023 0.000 0.413 399 N N -0.736 117.961 118.700 -0.005 0.000 2.142 399 N HA -0.376 nan 4.740 nan 0.000 0.186 399 N C 1.906 177.421 175.510 0.010 0.000 1.023 399 N CA 3.723 56.775 53.050 0.003 0.000 0.852 399 N CB -0.114 38.375 38.487 0.003 0.000 0.998 399 N HN -0.281 8.092 8.380 -0.011 0.000 0.424 400 Q N 0.807 120.612 119.800 0.007 0.000 2.077 400 Q HA -0.354 nan 4.340 nan 0.000 0.206 400 Q C 1.690 177.698 176.000 0.013 0.000 0.989 400 Q CA 3.432 59.241 55.803 0.011 0.000 0.853 400 Q CB 0.013 28.756 28.738 0.008 0.000 0.907 400 Q HN -0.003 8.269 8.270 0.003 0.000 0.418 401 L N -2.717 118.514 121.223 0.012 0.000 2.056 401 L HA -0.321 nan 4.340 nan 0.000 0.207 401 L C 2.304 179.183 176.870 0.015 0.000 1.078 401 L CA 2.411 57.259 54.840 0.014 0.000 0.749 401 L CB -0.013 42.055 42.059 0.015 0.000 0.901 401 L HN -0.417 7.819 8.230 0.010 0.000 0.433 402 L N -1.400 119.832 121.223 0.015 0.000 2.012 402 L HA -0.420 nan 4.340 nan 0.000 0.210 402 L C 2.425 179.313 176.870 0.030 0.000 1.073 402 L CA 3.097 57.948 54.840 0.018 0.000 0.748 402 L CB -0.220 41.849 42.059 0.015 0.000 0.891 402 L HN -0.151 8.019 8.230 0.012 0.067 0.431 403 N N -4.638 114.083 118.700 0.035 0.000 2.461 403 N HA -0.061 nan 4.740 nan 0.000 0.188 403 N C 0.091 175.628 175.510 0.046 0.000 1.134 403 N CA 1.455 54.536 53.050 0.052 0.000 0.878 403 N CB -0.398 38.120 38.487 0.052 0.000 0.972 403 N HN -0.043 8.353 8.380 0.027 0.000 0.456 404 E N -2.114 118.104 120.200 0.031 0.000 2.389 404 E HA 0.057 nan 4.350 nan 0.000 0.199 404 E C -0.248 176.363 176.600 0.017 0.000 0.978 404 E CA -0.008 56.405 56.400 0.022 0.000 0.912 404 E CB 1.570 31.279 29.700 0.015 0.000 0.907 404 E HN -0.472 7.688 8.360 0.026 0.215 0.494 405 S N 0.154 115.864 115.700 0.018 0.000 2.617 405 S HA 0.028 nan 4.470 nan 0.000 0.269 405 S C 1.044 175.653 174.600 0.015 0.000 1.292 405 S CA -0.415 57.788 58.200 0.005 0.000 1.010 405 S CB 1.261 64.463 63.200 0.002 0.000 0.944 405 S HN -0.543 7.781 8.310 0.022 0.000 0.536 406 L N 1.199 122.418 121.223 -0.007 0.000 2.558 406 L HA 0.092 nan 4.340 nan 0.000 0.225 406 L C 1.567 178.440 176.870 0.005 0.000 1.128 406 L CA 1.367 56.211 54.840 0.005 0.000 0.868 406 L CB -0.767 41.279 42.059 -0.022 0.000 1.006 406 L HN 0.438 8.649 8.230 -0.032 0.000 0.454 407 M N -1.158 118.440 119.600 -0.003 0.000 2.346 407 M HA -0.260 nan 4.480 nan 0.000 0.263 407 M C 2.167 178.467 176.300 0.001 0.000 1.064 407 M CA 2.244 57.541 55.300 -0.005 0.000 1.083 407 M CB -1.484 31.113 32.600 -0.004 0.000 1.399 407 M HN -0.170 8.054 8.290 -0.006 0.062 0.435 408 L N -2.678 118.555 121.223 0.016 0.000 2.552 408 L HA -0.128 nan 4.340 nan 0.000 0.227 408 L C 1.828 178.702 176.870 0.008 0.000 1.146 408 L CA 1.149 55.996 54.840 0.012 0.000 0.858 408 L CB -0.872 41.202 42.059 0.025 0.000 0.969 408 L HN -0.502 7.705 8.230 0.028 0.040 0.451 409 V N 0.279 120.205 119.914 0.021 0.000 2.828 409 V HA -0.452 nan 4.120 nan 0.000 0.260 409 V C 0.931 177.007 176.094 -0.030 0.000 1.101 409 V CA 3.391 65.702 62.300 0.019 0.000 1.123 409 V CB -0.569 31.260 31.823 0.011 0.000 0.704 409 V HN -0.252 7.898 8.190 0.023 0.055 0.493 410 T N -2.487 112.040 114.554 -0.045 0.000 2.833 410 T HA -0.302 nan 4.350 nan 0.000 0.269 410 T C 1.379 176.049 174.700 -0.051 0.000 1.054 410 T CA 3.569 65.630 62.100 -0.064 0.000 1.135 410 T CB -0.813 68.029 68.868 -0.044 0.000 0.869 410 T HN -0.630 7.537 8.240 -0.031 0.054 0.466 411 A N 0.702 123.507 122.820 -0.024 0.000 2.015 411 A HA -0.130 nan 4.320 nan 0.000 0.219 411 A C 1.723 179.342 177.584 0.058 0.000 1.163 411 A CA 2.551 54.592 52.037 0.006 0.000 0.646 411 A CB -0.671 18.337 19.000 0.012 0.000 0.806 411 A HN -0.179 7.938 8.150 -0.022 0.020 0.448 412 L N -3.463 117.786 121.223 0.042 0.000 2.217 412 L HA -0.365 nan 4.340 nan 0.000 0.211 412 L C 2.207 179.060 176.870 -0.028 0.000 1.107 412 L CA 2.317 57.207 54.840 0.083 0.000 0.783 412 L CB -0.606 41.533 42.059 0.133 0.000 0.919 412 L HN -0.543 7.561 8.230 0.012 0.134 0.442 413 N N 0.110 118.763 118.700 -0.078 0.000 2.094 413 N HA -0.300 nan 4.740 nan 0.000 0.191 413 N C 2.123 177.526 175.510 -0.178 0.000 1.023 413 N CA 3.609 56.594 53.050 -0.109 0.000 0.857 413 N CB -0.232 38.190 38.487 -0.108 0.000 1.013 413 N HN -0.495 7.711 8.380 -0.070 0.132 0.426 414 T N -0.951 113.423 114.554 -0.300 0.000 3.098 414 T HA -0.044 nan 4.350 nan 0.000 0.266 414 T C 0.559 174.788 174.700 -0.784 0.000 1.145 414 T CA 2.131 63.927 62.100 -0.506 0.000 1.092 414 T CB -0.674 67.823 68.868 -0.619 0.000 0.908 414 T HN 0.099 8.188 8.240 -0.252 0.000 0.526 415 H N -2.660 116.138 119.070 -0.454 0.000 3.058 415 H HA 0.220 nan 4.556 nan 0.000 0.266 415 H C -1.331 173.701 175.328 -0.494 0.000 1.135 415 H CA -0.428 55.167 56.048 -0.755 0.000 1.174 415 H CB 2.029 30.740 29.762 -1.751 0.000 1.581 415 H HN 0.125 7.953 8.280 -0.386 0.220 0.553 416 I N -1.765 118.700 120.570 -0.175 0.000 2.771 416 I HA 0.005 nan 4.170 nan 0.000 0.291 416 I C -1.202 174.903 176.117 -0.021 0.000 1.527 416 I CA -0.893 60.371 61.300 -0.060 0.000 1.024 416 I CB 2.489 40.511 38.000 0.036 0.000 1.388 416 I HN -0.558 7.415 8.210 -0.179 0.130 0.447 417 G N 6.239 115.042 108.800 0.006 0.000 2.224 417 G HA2 -0.081 nan 3.960 nan 0.000 0.239 417 G HA3 -0.081 nan 3.960 nan 0.000 0.239 417 G C -0.064 174.904 174.900 0.112 0.000 1.240 417 G CA 0.160 45.293 45.100 0.054 0.000 0.896 417 G HN 0.080 8.364 8.290 -0.010 0.000 0.496 418 Y N 4.753 125.055 120.300 0.004 0.000 2.073 418 Y HA -0.618 nan 4.550 nan 0.000 0.270 418 Y C 0.874 176.800 175.900 0.043 0.000 1.226 418 Y CA 3.622 61.732 58.100 0.016 0.000 1.117 418 Y CB 0.008 38.470 38.460 0.004 0.000 0.939 418 Y HN 0.474 8.885 8.280 0.218 0.000 0.504 419 D N -5.047 115.548 120.400 0.324 0.000 2.144 419 D HA -0.329 nan 4.640 nan 0.000 0.199 419 D C 2.578 178.983 176.300 0.174 0.000 0.984 419 D CA 3.397 57.538 54.000 0.235 0.000 0.834 419 D CB -1.047 39.858 40.800 0.177 0.000 0.955 419 D HN 0.451 9.007 8.370 0.314 0.003 0.465 420 K N -0.270 120.243 120.400 0.188 0.000 2.031 420 K HA -0.176 nan 4.320 nan 0.000 0.205 420 K C 2.186 178.943 176.600 0.262 0.000 1.049 420 K CA 1.851 58.318 56.287 0.301 0.000 0.939 420 K CB -0.602 32.053 32.500 0.258 0.000 0.717 420 K HN -0.314 7.941 8.250 0.164 0.094 0.438 421 A N -1.508 121.402 122.820 0.150 0.000 1.908 421 A HA -0.210 nan 4.320 nan 0.000 0.218 421 A C 2.201 179.805 177.584 0.034 0.000 1.181 421 A CA 2.939 55.032 52.037 0.094 0.000 0.627 421 A CB -0.815 18.181 19.000 -0.007 0.000 0.818 421 A HN 0.051 8.270 8.150 0.115 0.000 0.445 422 A N -2.675 120.133 122.820 -0.021 0.000 1.972 422 A HA -0.291 nan 4.320 nan 0.000 0.219 422 A C 1.851 179.452 177.584 0.029 0.000 1.169 422 A CA 2.718 54.740 52.037 -0.025 0.000 0.635 422 A CB -0.848 18.144 19.000 -0.013 0.000 0.810 422 A HN 0.242 8.374 8.150 -0.030 0.001 0.446 423 E N -0.383 119.849 120.200 0.054 0.000 2.058 423 E HA -0.318 nan 4.350 nan 0.000 0.194 423 E C 2.210 178.784 176.600 -0.044 0.000 0.997 423 E CA 3.195 59.604 56.400 0.015 0.000 0.801 423 E CB -0.051 29.667 29.700 0.030 0.000 0.746 423 E HN -0.387 7.799 8.360 0.090 0.228 0.450 424 I N -4.895 115.646 120.570 -0.048 0.000 2.394 424 I HA -0.331 nan 4.170 nan 0.000 0.251 424 I C 1.446 177.562 176.117 -0.001 0.000 1.136 424 I CA 3.384 64.649 61.300 -0.059 0.000 1.425 424 I CB -0.555 37.439 38.000 -0.009 0.000 1.079 424 I HN -0.621 7.591 8.210 0.003 0.000 0.425 425 A N 1.125 123.962 122.820 0.028 0.000 1.902 425 A HA -0.357 nan 4.320 nan 0.000 0.217 425 A C 1.919 179.544 177.584 0.068 0.000 1.181 425 A CA 3.331 55.395 52.037 0.046 0.000 0.623 425 A CB -0.916 18.103 19.000 0.032 0.000 0.818 425 A HN -0.412 7.655 8.150 0.029 0.101 0.443 426 K N -1.552 118.876 120.400 0.047 0.000 2.026 426 K HA -0.390 nan 4.320 nan 0.000 0.208 426 K C 2.099 178.709 176.600 0.016 0.000 1.048 426 K CA 3.608 59.921 56.287 0.044 0.000 0.929 426 K CB -0.230 32.279 32.500 0.015 0.000 0.713 426 K HN -0.050 8.125 8.250 0.029 0.093 0.439 427 K N -0.458 119.935 120.400 -0.012 0.000 2.026 427 K HA -0.332 nan 4.320 nan 0.000 0.208 427 K C 2.113 178.710 176.600 -0.005 0.000 1.048 427 K CA 3.103 59.372 56.287 -0.031 0.000 0.929 427 K CB -0.040 32.422 32.500 -0.064 0.000 0.713 427 K HN -0.488 7.749 8.250 -0.021 0.000 0.439 428 A N -1.490 121.340 122.820 0.016 0.000 1.865 428 A HA -0.317 nan 4.320 nan 0.000 0.217 428 A C 2.253 179.891 177.584 0.090 0.000 1.191 428 A CA 3.244 55.301 52.037 0.033 0.000 0.623 428 A CB -1.123 17.898 19.000 0.035 0.000 0.826 428 A HN 0.276 8.434 8.150 0.012 0.000 0.444 429 H N 0.293 119.356 119.070 -0.011 0.000 2.319 429 H HA -0.215 nan 4.556 nan 0.000 0.299 429 H C 2.120 177.443 175.328 -0.009 0.000 1.092 429 H CA 2.549 58.593 56.048 -0.007 0.000 1.302 429 H CB -0.022 29.737 29.762 -0.004 0.000 1.373 429 H HN -0.332 8.053 8.280 0.174 0.000 0.497 430 K N -1.951 118.401 120.400 -0.080 0.000 2.103 430 K HA -0.136 nan 4.320 nan 0.000 0.204 430 K C 1.732 178.296 176.600 -0.061 0.000 1.052 430 K CA 2.259 58.451 56.287 -0.158 0.000 0.945 430 K CB 0.611 33.026 32.500 -0.142 0.000 0.722 430 K HN -0.093 8.144 8.250 -0.022 0.000 0.443 431 E N -3.837 116.350 120.200 -0.023 0.000 2.447 431 E HA 0.020 nan 4.350 nan 0.000 0.195 431 E C 0.377 176.979 176.600 0.003 0.000 1.028 431 E CA 0.027 56.418 56.400 -0.015 0.000 0.876 431 E CB 0.873 30.559 29.700 -0.022 0.000 0.885 431 E HN -0.062 8.184 8.360 -0.012 0.106 0.500 432 G N -2.334 106.483 108.800 0.029 0.000 2.137 432 G HA2 -0.408 nan 3.960 nan 0.000 0.237 432 G HA3 -0.408 nan 3.960 nan 0.000 0.237 432 G C -0.676 174.236 174.900 0.020 0.000 1.002 432 G CA 0.511 45.634 45.100 0.037 0.000 0.702 432 G HN -0.112 8.164 8.290 0.047 0.042 0.515 433 L N -0.762 120.468 121.223 0.012 0.000 2.431 433 L HA 0.288 nan 4.340 nan 0.000 0.260 433 L C 0.760 177.628 176.870 -0.003 0.000 1.098 433 L CA -0.146 54.690 54.840 -0.007 0.000 0.800 433 L CB 1.266 43.310 42.059 -0.026 0.000 1.210 433 L HN -0.259 7.865 8.230 0.019 0.117 0.465 434 T N -3.693 110.848 114.554 -0.021 0.000 2.874 434 T HA 0.152 nan 4.350 nan 0.000 0.281 434 T C 1.102 175.784 174.700 -0.030 0.000 0.994 434 T CA -1.550 60.541 62.100 -0.014 0.000 1.015 434 T CB 1.206 70.061 68.868 -0.022 0.000 1.028 434 T HN -0.265 7.954 8.240 -0.035 0.000 0.523 435 L N 1.357 122.592 121.223 0.019 0.000 2.013 435 L HA -0.450 nan 4.340 nan 0.000 0.212 435 L C 1.693 178.461 176.870 -0.169 0.000 1.073 435 L CA 4.059 58.934 54.840 0.058 0.000 0.753 435 L CB -0.409 41.813 42.059 0.271 0.000 0.890 435 L HN 0.624 8.885 8.230 0.051 0.000 0.432 436 K N -1.684 118.453 120.400 -0.438 0.000 2.025 436 K HA -0.378 nan 4.320 nan 0.000 0.207 436 K C 1.671 177.985 176.600 -0.476 0.000 1.049 436 K CA 3.320 59.022 56.287 -0.976 0.000 0.933 436 K CB -0.348 31.621 32.500 -0.884 0.000 0.714 436 K HN -0.347 7.778 8.250 -0.209 0.000 0.438 437 A N -1.372 121.290 122.820 -0.264 0.000 1.908 437 A HA -0.278 nan 4.320 nan 0.000 0.218 437 A C 2.091 179.590 177.584 -0.142 0.000 1.181 437 A CA 2.980 54.917 52.037 -0.166 0.000 0.627 437 A CB -0.942 17.996 19.000 -0.104 0.000 0.818 437 A HN -0.579 7.440 8.150 -0.219 0.000 0.445 438 A N -2.671 120.072 122.820 -0.128 0.000 1.930 438 A HA -0.254 nan 4.320 nan 0.000 0.217 438 A C 1.923 179.438 177.584 -0.115 0.000 1.175 438 A CA 2.695 54.673 52.037 -0.099 0.000 0.627 438 A CB -0.637 18.324 19.000 -0.064 0.000 0.815 438 A HN 0.134 8.207 8.150 -0.126 0.001 0.443 439 A N -0.783 121.957 122.820 -0.133 0.000 1.877 439 A HA -0.291 nan 4.320 nan 0.000 0.216 439 A C 1.957 179.506 177.584 -0.058 0.000 1.186 439 A CA 3.030 55.025 52.037 -0.069 0.000 0.620 439 A CB -0.719 18.241 19.000 -0.067 0.000 0.822 439 A HN -0.102 7.859 8.150 -0.186 0.078 0.443 440 L N -2.764 118.383 121.223 -0.127 0.000 2.044 440 L HA -0.337 nan 4.340 nan 0.000 0.205 440 L C 3.160 179.998 176.870 -0.053 0.000 1.075 440 L CA 2.719 57.509 54.840 -0.084 0.000 0.747 440 L CB -0.444 41.542 42.059 -0.121 0.000 0.903 440 L HN 0.341 8.448 8.230 -0.206 0.000 0.435 441 A N -0.287 122.490 122.820 -0.072 0.000 1.972 441 A HA -0.217 nan 4.320 nan 0.000 0.219 441 A C 1.326 178.877 177.584 -0.055 0.000 1.169 441 A CA 2.805 54.808 52.037 -0.058 0.000 0.635 441 A CB -0.363 18.598 19.000 -0.065 0.000 0.810 441 A HN 0.010 8.103 8.150 -0.095 0.000 0.446 442 L N -4.308 116.863 121.223 -0.087 0.000 2.554 442 L HA -0.041 nan 4.340 nan 0.000 0.226 442 L C 0.234 177.106 176.870 0.003 0.000 1.137 442 L CA -0.598 54.155 54.840 -0.144 0.000 0.863 442 L CB -0.049 41.786 42.059 -0.373 0.000 0.985 442 L HN -0.460 7.701 8.230 -0.099 0.011 0.451 443 G N -2.290 106.548 108.800 0.063 0.000 2.187 443 G HA2 -0.327 nan 3.960 nan 0.000 0.261 443 G HA3 -0.327 nan 3.960 nan 0.000 0.261 443 G C 0.858 175.935 174.900 0.296 0.000 1.000 443 G CA 1.147 46.331 45.100 0.141 0.000 0.718 443 G HN -0.358 7.714 8.290 0.013 0.226 0.519 444 Y N -1.579 118.750 120.300 0.049 0.000 2.561 444 Y HA -0.072 nan 4.550 nan 0.000 0.291 444 Y C -0.055 175.919 175.900 0.123 0.000 1.141 444 Y CA 0.437 58.591 58.100 0.091 0.000 1.303 444 Y CB 0.488 39.014 38.460 0.110 0.000 1.015 444 Y HN -0.313 8.103 8.280 0.304 0.045 0.547 445 L N -7.756 113.600 121.223 0.221 0.000 3.119 445 L HA 0.335 nan 4.340 nan 0.000 0.283 445 L C -2.527 174.360 176.870 0.030 0.000 1.028 445 L CA -1.199 53.712 54.840 0.119 0.000 0.975 445 L CB 2.295 44.454 42.059 0.167 0.000 1.543 445 L HN -0.801 7.495 8.230 0.193 0.050 0.390 446 S N -3.374 112.298 115.700 -0.048 0.000 2.638 446 S HA 0.336 nan 4.470 nan 0.000 0.298 446 S C 0.571 175.129 174.600 -0.070 0.000 1.111 446 S CA -1.597 56.565 58.200 -0.063 0.000 1.027 446 S CB 2.537 65.692 63.200 -0.076 0.000 1.064 446 S HN -0.181 8.223 8.310 -0.110 -0.159 0.525 447 E N 2.278 122.439 120.200 -0.064 0.000 2.097 447 E HA -0.369 nan 4.350 nan 0.000 0.196 447 E C 1.563 178.145 176.600 -0.031 0.000 1.000 447 E CA 3.669 60.043 56.400 -0.043 0.000 0.804 447 E CB -0.453 29.216 29.700 -0.051 0.000 0.740 447 E HN 0.763 9.084 8.360 -0.064 0.000 0.454 448 A N -2.052 120.718 122.820 -0.084 0.000 1.851 448 A HA -0.258 nan 4.320 nan 0.000 0.216 448 A C 2.083 179.526 177.584 -0.235 0.000 1.195 448 A CA 3.000 54.964 52.037 -0.122 0.000 0.622 448 A CB -1.119 17.811 19.000 -0.117 0.000 0.831 448 A HN 0.152 8.249 8.150 -0.081 0.004 0.444 449 E N -1.909 118.063 120.200 -0.381 0.000 2.150 449 E HA -0.348 nan 4.350 nan 0.000 0.193 449 E C 2.308 178.326 176.600 -0.970 0.000 0.985 449 E CA 1.954 57.844 56.400 -0.851 0.000 0.814 449 E CB -0.360 28.692 29.700 -1.080 0.000 0.752 449 E HN -0.712 7.467 8.360 -0.301 0.000 0.466 450 F N 2.192 121.814 119.950 -0.548 0.000 2.051 450 F HA -0.413 nan 4.527 nan 0.000 0.296 450 F C 0.927 176.630 175.800 -0.162 0.000 1.122 450 F CA 3.869 61.716 58.000 -0.255 0.000 1.201 450 F CB 0.378 39.312 39.000 -0.111 0.000 0.978 450 F HN -0.027 8.161 8.300 -0.155 0.020 0.472 451 D N -2.201 118.222 120.400 0.037 0.000 2.190 451 D HA -0.380 nan 4.640 nan 0.000 0.200 451 D C 2.422 178.654 176.300 -0.114 0.000 0.992 451 D CA 3.298 57.292 54.000 -0.011 0.000 0.854 451 D CB -0.631 40.193 40.800 0.040 0.000 0.936 451 D HN -0.070 8.387 8.370 0.145 0.000 0.462 452 S N -2.656 112.926 115.700 -0.197 0.000 2.496 452 S HA -0.070 nan 4.470 nan 0.000 0.224 452 S C 0.989 175.568 174.600 -0.036 0.000 0.996 452 S CA 1.480 59.593 58.200 -0.145 0.000 0.927 452 S CB 0.354 63.438 63.200 -0.195 0.000 0.774 452 S HN -0.514 7.517 8.310 -0.284 0.108 0.524 453 W N -0.535 120.584 121.300 -0.302 0.000 2.574 453 W HA 0.070 nan 4.660 nan 0.000 0.282 453 W C 0.642 177.003 176.519 -0.262 0.000 1.197 453 W CA -0.850 56.248 57.345 -0.412 0.000 1.376 453 W CB 0.850 29.943 29.460 -0.612 0.000 1.091 453 W HN -0.571 7.295 8.180 -0.253 0.163 0.569 454 V N 0.815 120.636 119.914 -0.154 0.000 2.223 454 V HA -0.014 nan 4.120 nan 0.000 0.249 454 V C -0.847 175.193 176.094 -0.090 0.000 1.233 454 V CA -0.771 61.413 62.300 -0.193 0.000 1.131 454 V CB -1.273 30.268 31.823 -0.469 0.000 1.298 454 V HN -0.347 7.666 8.190 -0.295 0.000 0.498 455 R N 8.962 129.449 120.500 -0.023 0.000 2.280 455 R HA 0.494 nan 4.340 nan 0.000 0.326 455 R C -0.599 175.701 176.300 -0.000 0.000 1.080 455 R CA -3.886 52.212 56.100 -0.004 0.000 1.002 455 R CB -0.850 29.461 30.300 0.018 0.000 1.136 455 R HN -0.547 7.694 8.270 0.004 0.032 0.509 456 P HA -0.161 nan 4.420 nan 0.000 0.220 456 P C 0.210 177.512 177.300 0.004 0.000 1.148 456 P CA 2.010 65.111 63.100 0.001 0.000 0.803 456 P CB -0.063 31.640 31.700 0.005 0.000 0.782 457 E N -2.736 117.467 120.200 0.006 0.000 2.516 457 E HA -0.170 nan 4.350 nan 0.000 0.199 457 E C 0.123 176.727 176.600 0.007 0.000 1.069 457 E CA 1.442 57.846 56.400 0.007 0.000 0.876 457 E CB -1.853 27.852 29.700 0.008 0.000 0.843 457 E HN 0.432 8.768 8.360 0.006 0.028 0.530 458 Q N -1.948 117.857 119.800 0.008 0.000 2.186 458 Q HA 0.021 nan 4.340 nan 0.000 0.241 458 Q C -0.979 175.025 176.000 0.005 0.000 0.849 458 Q CA -1.268 54.540 55.803 0.009 0.000 1.053 458 Q CB 0.191 28.939 28.738 0.016 0.000 1.146 458 Q HN -0.508 7.587 8.270 0.008 0.180 0.475 459 M N 0.000 119.602 119.600 0.003 0.000 2.572 459 M HA 0.000 nan 4.480 nan 0.000 0.227 459 M CA 0.000 55.300 55.300 0.000 0.000 0.988 459 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 459 M HN 0.000 8.210 8.290 0.003 0.082 0.411