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 2rfq_1_C DATA FIRST_RESID 4 DATA SEQUENCE HDSHEVXQRL DALLPTLRER AQETEDLRRI PDDSXKALQE TGFFRLLQPE DATA SEQUENCE QWGGYQADPV LFYSAVRKIA SACGSTGWVS SIIGVHNWHL ALFSQQAQED DATA SEQUENCE VWGNDTDVRI SSSYAPXGAG QVVDGGYTVN GAWAWSSGCD HASWAVLGGP DATA SEQUENCE VIKDGRPVDF VSFLIPREDY RIDDVWNVVG LRGTGSNTVV VEDVFVPTHR DATA SEQUENCE VLSFKAXSNL TAPGLERNTA PVYKXPWGTI HPTTISAPIV GXAYGAYDAH DATA SEQUENCE VEHQGKRVXX XXXXXXXXDD PFAKVRIAEA SSDIDAAWRQ LSGNVADEYA DATA SEQUENCE LLVAGEEVPF ELRLRARRDQ VRATGRAISS IDKLFESSGA TALANGTPLQ DATA SEQUENCE RFWRDAHAGR VHAANDPERA YVXYGTGEFG LPITDTXV 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 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.350 175.328 0.036 0.000 0.993 4 H CA 0.000 56.070 56.048 0.037 0.000 1.023 4 H CB 0.000 29.767 29.762 0.008 0.000 1.292 5 D N 1.198 121.660 120.400 0.103 0.000 2.263 5 D HA -0.040 4.601 4.640 0.002 0.000 0.208 5 D C 1.398 177.733 176.300 0.058 0.000 0.971 5 D CA 0.937 54.972 54.000 0.058 0.000 0.867 5 D CB 0.210 41.022 40.800 0.020 0.000 0.929 5 D HN 0.146 nan 8.370 nan 0.000 0.492 6 S N -0.562 115.177 115.700 0.065 0.000 2.562 6 S HA -0.073 4.398 4.470 0.002 0.000 0.221 6 S C 0.803 175.443 174.600 0.067 0.000 0.975 6 S CA -0.230 58.000 58.200 0.049 0.000 0.918 6 S CB -0.018 63.198 63.200 0.027 0.000 0.772 6 S HN 0.387 nan 8.310 nan 0.000 0.531 7 H N 2.808 121.886 119.070 0.015 0.000 2.848 7 H HA 0.011 4.568 4.556 0.001 0.000 0.341 7 H C 1.393 176.713 175.328 -0.013 0.000 1.060 7 H CA 0.796 56.846 56.048 0.003 0.000 1.444 7 H CB 0.695 30.452 29.762 -0.008 0.000 1.446 7 H HN 0.456 nan 8.280 nan 0.000 0.583 8 E N 3.282 123.349 120.200 -0.222 0.000 2.130 8 E HA -0.112 4.239 4.350 0.002 0.000 0.196 8 E C 0.699 177.346 176.600 0.078 0.000 0.998 8 E CA 0.779 57.144 56.400 -0.058 0.000 0.806 8 E CB -0.074 29.577 29.700 -0.082 0.000 0.738 8 E HN 0.205 nan 8.360 nan 0.000 0.459 12 R N 1.067 121.579 120.500 0.020 0.000 2.096 12 R HA 0.084 4.425 4.340 0.002 0.000 0.235 12 R C 2.374 178.672 176.300 -0.003 0.000 1.127 12 R CA 1.223 57.333 56.100 0.018 0.000 0.968 12 R CB -0.157 30.166 30.300 0.038 0.000 0.861 12 R HN 0.111 nan 8.270 nan 0.000 0.440 13 L N 0.555 121.767 121.223 -0.019 0.000 2.093 13 L HA -0.185 4.156 4.340 0.002 0.000 0.208 13 L C 1.760 178.597 176.870 -0.056 0.000 1.085 13 L CA 1.035 55.839 54.840 -0.060 0.000 0.755 13 L CB -0.417 41.581 42.059 -0.102 0.000 0.904 13 L HN 0.140 nan 8.230 nan 0.000 0.435 14 D N 0.407 120.782 120.400 -0.042 0.000 2.133 14 D HA -0.212 4.429 4.640 0.002 0.000 0.195 14 D C 2.184 178.470 176.300 -0.023 0.000 0.997 14 D CA 1.671 55.650 54.000 -0.035 0.000 0.840 14 D CB 0.006 40.791 40.800 -0.025 0.000 0.947 14 D HN 0.342 nan 8.370 nan 0.000 0.452 15 A N 0.138 122.950 122.820 -0.014 0.000 2.067 15 A HA -0.098 4.222 4.320 0.002 0.000 0.219 15 A C 2.068 179.648 177.584 -0.007 0.000 1.158 15 A CA 0.717 52.751 52.037 -0.005 0.000 0.661 15 A CB -0.310 18.691 19.000 0.002 0.000 0.801 15 A HN 0.238 nan 8.150 nan 0.000 0.452 16 L N -0.661 120.552 121.223 -0.016 0.000 2.375 16 L HA 0.195 4.536 4.340 0.002 0.000 0.215 16 L C 1.964 178.821 176.870 -0.021 0.000 1.108 16 L CA 0.930 55.759 54.840 -0.018 0.000 0.830 16 L CB -0.369 41.671 42.059 -0.031 0.000 0.959 16 L HN 0.355 nan 8.230 nan 0.000 0.457 17 L N 0.193 121.400 121.223 -0.026 0.000 2.042 17 L HA -0.163 4.178 4.340 0.002 0.000 0.210 17 L C -0.170 176.700 176.870 0.000 0.000 1.076 17 L CA 1.331 56.159 54.840 -0.020 0.000 0.749 17 L CB -2.140 39.906 42.059 -0.022 0.000 0.893 17 L HN 0.244 nan 8.230 nan 0.000 0.432 18 P HA -0.145 nan 4.420 nan 0.000 0.216 18 P C 1.636 178.943 177.300 0.012 0.000 1.150 18 P CA 1.441 64.549 63.100 0.013 0.000 0.837 18 P CB -0.081 31.626 31.700 0.012 0.000 0.786 19 T N -0.285 114.274 114.554 0.008 0.000 2.708 19 T HA -0.097 4.254 4.350 0.002 0.000 0.266 19 T C 1.714 176.419 174.700 0.008 0.000 1.037 19 T CA 1.115 63.221 62.100 0.009 0.000 1.146 19 T CB -0.914 67.959 68.868 0.008 0.000 0.865 19 T HN 0.066 nan 8.240 nan 0.000 0.435 20 L N 0.386 121.610 121.223 0.002 0.000 2.046 20 L HA -0.106 4.235 4.340 0.002 0.000 0.208 20 L C 2.912 179.788 176.870 0.009 0.000 1.077 20 L CA 1.445 56.287 54.840 0.002 0.000 0.747 20 L CB -0.605 41.448 42.059 -0.010 0.000 0.896 20 L HN 0.174 nan 8.230 nan 0.000 0.432 21 R N 0.357 120.868 120.500 0.018 0.000 2.073 21 R HA -0.175 4.166 4.340 0.002 0.000 0.234 21 R C 2.199 178.503 176.300 0.007 0.000 1.134 21 R CA 1.591 57.704 56.100 0.021 0.000 0.952 21 R CB -0.350 29.975 30.300 0.042 0.000 0.850 21 R HN 0.446 nan 8.270 nan 0.000 0.433 22 E N 0.217 120.424 120.200 0.011 0.000 2.160 22 E HA -0.178 4.173 4.350 0.002 0.000 0.195 22 E C 1.877 178.480 176.600 0.005 0.000 0.991 22 E CA 1.069 57.475 56.400 0.009 0.000 0.810 22 E CB 0.007 29.715 29.700 0.013 0.000 0.742 22 E HN 0.254 nan 8.360 nan 0.000 0.466 23 R N -0.078 120.426 120.500 0.007 0.000 2.297 23 R HA 0.164 4.505 4.340 0.002 0.000 0.197 23 R C 2.066 178.368 176.300 0.002 0.000 0.943 23 R CA 0.404 56.510 56.100 0.010 0.000 1.038 23 R CB 0.171 30.482 30.300 0.017 0.000 0.957 23 R HN 0.075 nan 8.270 nan 0.000 0.484 24 A N 1.187 123.998 122.820 -0.015 0.000 1.917 24 A HA -0.286 4.035 4.320 0.002 0.000 0.219 24 A C 2.113 179.677 177.584 -0.034 0.000 1.182 24 A CA 1.594 53.608 52.037 -0.038 0.000 0.633 24 A CB -0.305 18.640 19.000 -0.092 0.000 0.819 24 A HN 0.188 nan 8.150 nan 0.000 0.448 25 Q N -0.211 119.571 119.800 -0.029 0.000 2.083 25 Q HA -0.134 4.207 4.340 0.002 0.000 0.198 25 Q C 1.941 177.940 176.000 -0.001 0.000 0.969 25 Q CA 2.100 57.891 55.803 -0.021 0.000 0.838 25 Q CB -0.369 28.359 28.738 -0.018 0.000 0.900 25 Q HN 0.757 nan 8.270 nan 0.000 0.436 26 E N -1.135 119.069 120.200 0.007 0.000 2.085 26 E HA -0.199 4.152 4.350 0.002 0.000 0.194 26 E C 1.581 178.201 176.600 0.033 0.000 0.994 26 E CA 1.800 58.212 56.400 0.020 0.000 0.801 26 E CB -0.096 29.618 29.700 0.023 0.000 0.743 26 E HN 0.422 nan 8.360 nan 0.000 0.453 27 T N 0.508 115.083 114.554 0.035 0.000 2.665 27 T HA -0.237 4.114 4.350 0.002 0.000 0.268 27 T C 1.692 176.429 174.700 0.062 0.000 1.035 27 T CA 1.666 63.800 62.100 0.056 0.000 1.151 27 T CB -0.300 68.598 68.868 0.050 0.000 0.862 27 T HN 0.343 nan 8.240 nan 0.000 0.438 28 E N 0.637 120.858 120.200 0.036 0.000 2.031 28 E HA -0.191 4.160 4.350 0.002 0.000 0.193 28 E C 1.850 178.472 176.600 0.037 0.000 0.994 28 E CA 1.395 57.816 56.400 0.034 0.000 0.800 28 E CB -0.043 29.656 29.700 -0.001 0.000 0.752 28 E HN 0.321 nan 8.360 nan 0.000 0.447 29 D N 0.286 120.701 120.400 0.026 0.000 2.149 29 D HA -0.154 4.487 4.640 0.002 0.000 0.198 29 D C 1.871 178.193 176.300 0.036 0.000 0.990 29 D CA 0.958 54.972 54.000 0.023 0.000 0.839 29 D CB -0.066 40.744 40.800 0.017 0.000 0.948 29 D HN 0.289 nan 8.370 nan 0.000 0.460 30 L N -0.353 120.900 121.223 0.051 0.000 2.558 30 L HA 0.175 4.516 4.340 0.002 0.000 0.225 30 L C 0.402 177.324 176.870 0.087 0.000 1.128 30 L CA 0.044 54.920 54.840 0.061 0.000 0.868 30 L CB -0.005 42.092 42.059 0.063 0.000 1.006 30 L HN -0.065 nan 8.230 nan 0.000 0.454 31 R N 0.244 120.809 120.500 0.109 0.000 3.641 31 R HA -0.183 4.158 4.340 0.002 0.000 0.286 31 R C 0.147 176.563 176.300 0.195 0.000 1.153 31 R CA 0.533 56.742 56.100 0.182 0.000 0.775 31 R CB -1.607 28.808 30.300 0.193 0.000 1.215 31 R HN 0.368 nan 8.270 nan 0.000 0.474 32 R N 0.367 120.961 120.500 0.156 0.000 2.604 32 R HA 0.251 4.592 4.340 0.002 0.000 0.261 32 R C -0.684 175.730 176.300 0.191 0.000 1.080 32 R CA -0.882 55.314 56.100 0.159 0.000 0.917 32 R CB 1.075 31.444 30.300 0.115 0.000 1.252 32 R HN -0.010 nan 8.270 nan 0.000 0.456 33 I N 4.070 124.796 120.570 0.259 0.000 2.618 33 I HA 0.152 4.322 4.170 0.002 0.000 0.284 33 I C -1.929 174.339 176.117 0.252 0.000 1.146 33 I CA -2.210 59.216 61.300 0.210 0.000 1.425 33 I CB 0.271 38.341 38.000 0.117 0.000 1.383 33 I HN 0.438 nan 8.210 nan 0.000 0.562 34 P HA 0.062 nan 4.420 nan 0.000 0.268 34 P C 0.349 177.727 177.300 0.130 0.000 1.205 34 P CA -0.065 63.116 63.100 0.134 0.000 0.771 34 P CB 0.668 32.417 31.700 0.081 0.000 0.858 35 D N 1.538 122.059 120.400 0.201 0.000 2.133 35 D HA -0.202 4.439 4.640 0.002 0.000 0.195 35 D C 1.348 177.704 176.300 0.093 0.000 0.997 35 D CA 1.596 55.714 54.000 0.197 0.000 0.840 35 D CB -0.475 40.428 40.800 0.172 0.000 0.947 35 D HN 0.507 nan 8.370 nan 0.000 0.452 36 D N -0.155 120.291 120.400 0.077 0.000 2.178 36 D HA -0.033 4.608 4.640 0.002 0.000 0.202 36 D C 0.611 176.940 176.300 0.048 0.000 0.974 36 D CA 0.466 54.502 54.000 0.060 0.000 0.841 36 D CB 0.266 41.098 40.800 0.052 0.000 0.953 36 D HN -0.067 nan 8.370 nan 0.000 0.478 40 A N 1.926 124.802 122.820 0.094 0.000 1.930 40 A HA 0.010 4.331 4.320 0.002 0.000 0.217 40 A C 1.943 179.575 177.584 0.079 0.000 1.175 40 A CA 1.301 53.382 52.037 0.073 0.000 0.627 40 A CB -0.532 18.493 19.000 0.042 0.000 0.815 40 A HN 0.285 nan 8.150 nan 0.000 0.443 41 L N -0.841 120.435 121.223 0.089 0.000 2.046 41 L HA -0.249 4.092 4.340 0.002 0.000 0.208 41 L C 2.892 179.857 176.870 0.158 0.000 1.077 41 L CA 1.831 56.693 54.840 0.037 0.000 0.747 41 L CB -0.499 41.538 42.059 -0.036 0.000 0.896 41 L HN 0.606 nan 8.230 nan 0.000 0.432 42 Q N 0.458 120.481 119.800 0.372 0.000 2.096 42 Q HA -0.266 4.075 4.340 0.002 0.000 0.204 42 Q C 1.948 178.098 176.000 0.251 0.000 0.982 42 Q CA 1.873 57.941 55.803 0.442 0.000 0.850 42 Q CB -0.001 28.957 28.738 0.367 0.000 0.901 42 Q HN 0.525 nan 8.270 nan 0.000 0.422 43 E N -0.409 119.896 120.200 0.176 0.000 2.268 43 E HA -0.137 4.214 4.350 0.002 0.000 0.195 43 E C 1.892 178.564 176.600 0.121 0.000 0.995 43 E CA 1.425 57.903 56.400 0.130 0.000 0.836 43 E CB 0.032 29.791 29.700 0.098 0.000 0.763 43 E HN 0.588 nan 8.360 nan 0.000 0.491 44 T N -2.981 111.642 114.554 0.116 0.000 3.035 44 T HA 0.047 4.398 4.350 0.002 0.000 0.268 44 T C 1.663 176.455 174.700 0.153 0.000 1.109 44 T CA 0.776 62.939 62.100 0.104 0.000 1.119 44 T CB 0.162 69.069 68.868 0.064 0.000 0.900 44 T HN 0.285 nan 8.240 nan 0.000 0.503 45 G N 0.353 109.269 108.800 0.194 0.000 2.175 45 G HA2 -0.306 3.655 3.960 0.002 0.000 0.244 45 G HA3 -0.306 3.655 3.960 0.002 0.000 0.244 45 G C 0.401 175.422 174.900 0.202 0.000 0.982 45 G CA 0.308 45.572 45.100 0.274 0.000 0.641 45 G HN 0.518 nan 8.290 nan 0.000 0.527 46 F N 1.156 121.076 119.950 -0.050 0.000 2.063 46 F HA 0.004 4.531 4.527 0.001 0.000 0.298 46 F C 2.215 177.941 175.800 -0.123 0.000 1.109 46 F CA 2.608 60.484 58.000 -0.207 0.000 1.212 46 F CB -0.381 38.344 39.000 -0.457 0.000 0.973 46 F HN 0.135 nan 8.300 nan 0.000 0.480 47 F N 0.607 120.557 119.950 0.000 0.000 2.365 47 F HA -0.024 4.504 4.527 0.002 0.000 0.300 47 F C 2.345 178.107 175.800 -0.064 0.000 1.090 47 F CA 1.084 59.046 58.000 -0.063 0.000 1.408 47 F CB -0.783 38.306 39.000 0.149 0.000 1.060 47 F HN -0.083 nan 8.300 nan 0.000 0.534 48 R N -0.105 120.487 120.500 0.153 0.000 2.276 48 R HA -0.002 4.339 4.340 0.002 0.000 0.203 48 R C 2.037 178.471 176.300 0.222 0.000 1.017 48 R CA 0.311 56.506 56.100 0.159 0.000 1.010 48 R CB -0.375 30.047 30.300 0.203 0.000 0.900 48 R HN 0.363 nan 8.270 nan 0.000 0.469 49 L N 0.449 121.716 121.223 0.073 0.000 2.012 49 L HA -0.205 4.136 4.340 0.002 0.000 0.210 49 L C 1.851 178.727 176.870 0.009 0.000 1.073 49 L CA 1.499 56.343 54.840 0.006 0.000 0.748 49 L CB -0.200 41.758 42.059 -0.169 0.000 0.891 49 L HN 0.225 nan 8.230 nan 0.000 0.431 50 L N -1.045 120.129 121.223 -0.083 0.000 2.628 50 L HA 0.107 4.447 4.340 0.002 0.000 0.229 50 L C 0.903 177.913 176.870 0.232 0.000 1.137 50 L CA -0.244 54.590 54.840 -0.010 0.000 0.909 50 L CB -0.011 41.922 42.059 -0.210 0.000 1.137 50 L HN 0.296 nan 8.230 nan 0.000 0.470 51 Q N 1.719 121.611 119.800 0.154 0.000 2.293 51 Q HA 0.246 4.587 4.340 0.002 0.000 0.251 51 Q C -2.274 173.832 176.000 0.177 0.000 0.930 51 Q CA -1.798 54.066 55.803 0.101 0.000 0.893 51 Q CB 1.380 30.023 28.738 -0.159 0.000 1.215 51 Q HN -0.068 nan 8.270 nan 0.000 0.425 52 P HA -0.091 nan 4.420 nan 0.000 0.269 52 P C -0.110 177.224 177.300 0.057 0.000 1.215 52 P CA 0.096 63.313 63.100 0.194 0.000 0.780 52 P CB 0.574 32.343 31.700 0.116 0.000 0.898 53 E N 2.404 122.623 120.200 0.032 0.000 2.160 53 E HA -0.279 4.072 4.350 0.002 0.000 0.195 53 E C 1.499 178.005 176.600 -0.158 0.000 0.991 53 E CA 1.400 57.767 56.400 -0.054 0.000 0.810 53 E CB 0.050 29.733 29.700 -0.029 0.000 0.742 53 E HN 0.547 nan 8.360 nan 0.000 0.466 54 Q N -1.169 118.469 119.800 -0.270 0.000 2.291 54 Q HA -0.154 4.187 4.340 0.002 0.000 0.206 54 Q C 0.961 176.571 176.000 -0.650 0.000 0.976 54 Q CA 1.489 56.982 55.803 -0.516 0.000 0.875 54 Q CB -0.512 27.800 28.738 -0.709 0.000 0.927 54 Q HN 0.352 nan 8.270 nan 0.000 0.450 55 W N 0.093 121.306 121.300 -0.144 0.000 3.102 55 W HA 0.483 5.144 4.660 0.002 0.000 0.401 55 W C 0.737 177.092 176.519 -0.274 0.000 1.070 55 W CA -0.191 57.014 57.345 -0.232 0.000 1.921 55 W CB 0.874 30.072 29.460 -0.438 0.000 1.118 55 W HN 0.318 nan 8.180 nan 0.000 0.647 56 G N 0.548 109.301 108.800 -0.079 0.000 2.143 56 G HA2 -0.207 3.754 3.960 0.002 0.000 0.249 56 G HA3 -0.207 3.754 3.960 0.002 0.000 0.249 56 G C 0.516 175.303 174.900 -0.187 0.000 0.981 56 G CA -0.268 44.757 45.100 -0.125 0.000 0.665 56 G HN 0.506 nan 8.290 nan 0.000 0.528 57 G N -1.691 107.019 108.800 -0.150 0.000 2.547 57 G HA2 0.527 4.487 3.960 0.002 0.000 0.291 57 G HA3 0.527 4.487 3.960 0.002 0.000 0.291 57 G C 0.437 175.258 174.900 -0.132 0.000 1.211 57 G CA -0.381 44.645 45.100 -0.123 0.000 0.950 57 G HN 0.195 nan 8.290 nan 0.000 0.504 58 Y N -0.366 119.950 120.300 0.026 0.000 2.510 58 Y HA 0.032 4.582 4.550 0.001 0.000 0.273 58 Y C 2.002 177.928 175.900 0.043 0.000 1.119 58 Y CA 0.764 58.891 58.100 0.045 0.000 1.286 58 Y CB -0.065 38.424 38.460 0.048 0.000 1.061 58 Y HN 0.661 nan 8.280 nan 0.000 0.542 59 Q N 0.061 119.978 119.800 0.196 0.000 2.402 59 Q HA -0.245 4.096 4.340 0.002 0.000 0.356 59 Q C -0.088 175.928 176.000 0.028 0.000 1.344 59 Q CA 0.146 56.019 55.803 0.117 0.000 1.062 59 Q CB -1.854 26.994 28.738 0.183 0.000 1.268 59 Q HN 0.378 nan 8.270 nan 0.000 0.383 60 A N 0.913 123.733 122.820 0.000 0.000 2.332 60 A HA 0.266 4.587 4.320 0.002 0.000 0.258 60 A C 0.285 177.741 177.584 -0.213 0.000 1.087 60 A CA 0.088 52.091 52.037 -0.057 0.000 0.802 60 A CB 0.570 19.486 19.000 -0.140 0.000 1.042 60 A HN 0.535 nan 8.150 nan 0.000 0.489 61 D N 1.310 121.570 120.400 -0.233 0.000 2.662 61 D HA -0.028 4.613 4.640 0.002 0.000 0.233 61 D C -1.189 174.783 176.300 -0.546 0.000 1.129 61 D CA -0.931 52.730 54.000 -0.565 0.000 0.851 61 D CB 0.793 41.496 40.800 -0.162 0.000 1.152 61 D HN 0.201 nan 8.370 nan 0.000 0.507 62 P HA -0.132 nan 4.420 nan 0.000 0.220 62 P C 1.615 178.743 177.300 -0.288 0.000 1.148 62 P CA 0.362 63.199 63.100 -0.439 0.000 0.803 62 P CB 0.306 31.811 31.700 -0.325 0.000 0.782 63 V N 0.371 120.141 119.914 -0.240 0.000 2.407 63 V HA -0.217 3.904 4.120 0.002 0.000 0.248 63 V C 2.632 178.491 176.094 -0.392 0.000 1.055 63 V CA 1.509 63.710 62.300 -0.164 0.000 1.049 63 V CB -1.335 30.433 31.823 -0.091 0.000 0.662 63 V HN 0.055 nan 8.190 nan 0.000 0.455 64 L N -0.101 120.724 121.223 -0.664 0.000 2.012 64 L HA -0.174 4.167 4.340 0.002 0.000 0.210 64 L C 2.184 178.848 176.870 -0.343 0.000 1.073 64 L CA 2.103 56.551 54.840 -0.654 0.000 0.748 64 L CB -0.906 40.821 42.059 -0.552 0.000 0.891 64 L HN 0.328 nan 8.230 nan 0.000 0.431 65 F N -0.588 119.084 119.950 -0.462 0.000 2.069 65 F HA -0.302 4.225 4.527 0.001 0.000 0.298 65 F C 2.122 177.753 175.800 -0.282 0.000 1.113 65 F CA 1.925 59.660 58.000 -0.442 0.000 1.214 65 F CB -0.639 37.978 39.000 -0.638 0.000 0.978 65 F HN 0.181 nan 8.300 nan 0.000 0.474 66 Y N 0.026 120.275 120.300 -0.084 0.000 2.293 66 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 66 Y C 2.773 178.698 175.900 0.041 0.000 1.137 66 Y CA 1.241 59.310 58.100 -0.051 0.000 1.202 66 Y CB -1.352 37.158 38.460 0.082 0.000 0.990 66 Y HN 0.026 nan 8.280 nan 0.000 0.537 67 S N -0.178 115.621 115.700 0.164 0.000 2.383 67 S HA -0.166 4.305 4.470 0.002 0.000 0.227 67 S C 2.366 176.863 174.600 -0.171 0.000 1.026 67 S CA 0.919 59.134 58.200 0.025 0.000 0.981 67 S CB -0.563 62.656 63.200 0.032 0.000 0.818 67 S HN 0.515 nan 8.310 nan 0.000 0.472 68 A N 1.195 123.905 122.820 -0.184 0.000 1.902 68 A HA -0.031 4.290 4.320 0.002 0.000 0.217 68 A C 2.330 179.746 177.584 -0.280 0.000 1.181 68 A CA 1.391 53.316 52.037 -0.186 0.000 0.623 68 A CB -0.900 18.081 19.000 -0.032 0.000 0.818 68 A HN 0.332 nan 8.150 nan 0.000 0.443 69 V N 0.158 119.889 119.914 -0.304 0.000 2.295 69 V HA -0.274 3.847 4.120 0.002 0.000 0.246 69 V C 2.663 178.623 176.094 -0.223 0.000 1.049 69 V CA 2.324 64.444 62.300 -0.300 0.000 1.024 69 V CB -0.805 30.865 31.823 -0.254 0.000 0.648 69 V HN 0.676 nan 8.190 nan 0.000 0.447 70 R N 0.274 120.637 120.500 -0.228 0.000 2.083 70 R HA -0.250 4.090 4.340 0.002 0.000 0.237 70 R C 2.450 178.553 176.300 -0.329 0.000 1.137 70 R CA 2.279 58.181 56.100 -0.329 0.000 0.951 70 R CB -0.304 29.572 30.300 -0.708 0.000 0.851 70 R HN 0.495 nan 8.270 nan 0.000 0.434 71 K N 0.442 120.642 120.400 -0.333 0.000 2.009 71 K HA -0.154 4.167 4.320 0.002 0.000 0.210 71 K C 2.132 178.614 176.600 -0.197 0.000 1.049 71 K CA 1.901 58.027 56.287 -0.268 0.000 0.929 71 K CB -0.173 32.184 32.500 -0.239 0.000 0.714 71 K HN 0.218 nan 8.250 nan 0.000 0.440 72 I N 1.039 121.469 120.570 -0.232 0.000 2.179 72 I HA -0.260 3.911 4.170 0.002 0.000 0.242 72 I C 2.495 178.558 176.117 -0.090 0.000 1.088 72 I CA 1.290 62.466 61.300 -0.207 0.000 1.357 72 I CB -0.399 37.384 38.000 -0.361 0.000 1.051 72 I HN 0.252 nan 8.210 nan 0.000 0.409 73 A N 0.680 123.459 122.820 -0.068 0.000 2.019 73 A HA -0.212 4.109 4.320 0.002 0.000 0.219 73 A C 2.447 180.106 177.584 0.125 0.000 1.164 73 A CA 1.971 54.040 52.037 0.054 0.000 0.644 73 A CB -0.781 18.256 19.000 0.063 0.000 0.805 73 A HN 0.552 nan 8.150 nan 0.000 0.449 74 S N -0.539 115.175 115.700 0.022 0.000 2.474 74 S HA 0.188 4.659 4.470 0.002 0.000 0.235 74 S C 1.752 176.461 174.600 0.183 0.000 0.997 74 S CA 1.150 59.361 58.200 0.018 0.000 0.949 74 S CB -0.249 62.912 63.200 -0.065 0.000 0.766 74 S HN 0.797 nan 8.310 nan 0.000 0.517 75 A N -0.300 122.620 122.820 0.167 0.000 1.942 75 A HA 0.439 4.760 4.320 0.002 0.000 0.209 75 A C 1.073 178.767 177.584 0.183 0.000 1.214 75 A CA 0.628 52.770 52.037 0.175 0.000 0.686 75 A CB -0.315 18.718 19.000 0.056 0.000 0.871 75 A HN 0.778 nan 8.150 nan 0.000 0.460 76 C N -1.041 118.350 119.300 0.151 0.000 2.599 76 C HA 0.598 5.059 4.460 0.002 0.000 0.354 76 C C 1.673 176.745 174.990 0.136 0.000 1.092 76 C CA -0.360 58.703 59.018 0.075 0.000 1.280 76 C CB 0.484 28.241 27.740 0.028 0.000 1.829 76 C HN 0.611 nan 8.230 nan 0.000 0.454 77 G N 3.086 111.977 108.800 0.152 0.000 2.418 77 G HA2 -0.122 3.839 3.960 0.002 0.000 0.217 77 G HA3 -0.122 3.839 3.960 0.002 0.000 0.217 77 G C 1.643 176.656 174.900 0.187 0.000 1.158 77 G CA 1.465 46.693 45.100 0.213 0.000 0.771 77 G HN 0.754 nan 8.290 nan 0.000 0.545 78 S N 0.203 115.981 115.700 0.129 0.000 2.368 78 S HA -0.103 4.368 4.470 0.002 0.000 0.225 78 S C 2.577 177.301 174.600 0.207 0.000 1.030 78 S CA 1.713 60.016 58.200 0.172 0.000 0.999 78 S CB -0.433 62.848 63.200 0.134 0.000 0.844 78 S HN 0.452 nan 8.310 nan 0.000 0.459 79 T N 1.375 116.007 114.554 0.131 0.000 2.788 79 T HA -0.042 4.309 4.350 0.002 0.000 0.268 79 T C 2.022 176.766 174.700 0.074 0.000 1.044 79 T CA 1.286 63.440 62.100 0.090 0.000 1.139 79 T CB -0.753 68.132 68.868 0.028 0.000 0.867 79 T HN 0.536 nan 8.240 nan 0.000 0.454 80 G N 0.285 109.136 108.800 0.086 0.000 2.418 80 G HA2 -0.199 3.762 3.960 0.002 0.000 0.217 80 G HA3 -0.199 3.762 3.960 0.002 0.000 0.217 80 G C 1.431 176.410 174.900 0.131 0.000 1.158 80 G CA 0.394 45.517 45.100 0.040 0.000 0.771 80 G HN 0.533 nan 8.290 nan 0.000 0.545 81 W N 1.104 122.432 121.300 0.046 0.000 2.354 81 W HA -0.157 4.504 4.660 0.002 0.000 0.315 81 W C 2.233 178.820 176.519 0.113 0.000 1.206 81 W CA 1.741 59.136 57.345 0.082 0.000 1.290 81 W CB -0.472 29.052 29.460 0.106 0.000 1.152 81 W HN 0.117 nan 8.180 nan 0.000 0.489 82 V N 1.085 121.199 119.914 0.334 0.000 2.332 82 V HA -0.330 3.791 4.120 0.002 0.000 0.248 82 V C 2.524 178.756 176.094 0.231 0.000 1.055 82 V CA 2.298 64.747 62.300 0.248 0.000 1.038 82 V CB -1.271 30.710 31.823 0.264 0.000 0.651 82 V HN 0.124 nan 8.190 nan 0.000 0.450 83 S N -0.469 115.344 115.700 0.189 0.000 2.359 83 S HA -0.239 4.231 4.470 0.002 0.000 0.224 83 S C 2.249 177.082 174.600 0.388 0.000 1.035 83 S CA 1.864 60.201 58.200 0.228 0.000 1.018 83 S CB -0.428 62.565 63.200 -0.346 0.000 0.876 83 S HN 0.589 nan 8.310 nan 0.000 0.448 84 S N 0.943 116.740 115.700 0.161 0.000 2.359 84 S HA -0.047 4.424 4.470 0.002 0.000 0.224 84 S C 1.790 176.528 174.600 0.229 0.000 1.035 84 S CA 1.170 59.485 58.200 0.191 0.000 1.018 84 S CB -0.413 62.777 63.200 -0.016 0.000 0.876 84 S HN 0.434 nan 8.310 nan 0.000 0.448 85 I N 1.356 121.929 120.570 0.004 0.000 2.193 85 I HA -0.132 4.038 4.170 0.002 0.000 0.240 85 I C 2.089 178.001 176.117 -0.343 0.000 1.084 85 I CA 0.769 62.002 61.300 -0.112 0.000 1.365 85 I CB -0.310 37.618 38.000 -0.120 0.000 1.064 85 I HN 0.302 nan 8.210 nan 0.000 0.410 86 I N 1.082 121.642 120.570 -0.016 0.000 2.208 86 I HA -0.215 3.956 4.170 0.002 0.000 0.245 86 I C 2.681 178.923 176.117 0.209 0.000 1.097 86 I CA 1.877 63.225 61.300 0.080 0.000 1.363 86 I CB -2.100 36.047 38.000 0.245 0.000 1.051 86 I HN 0.270 nan 8.210 nan 0.000 0.413 87 G N 0.183 109.273 108.800 0.483 0.000 2.422 87 G HA2 -0.184 3.777 3.960 0.002 0.000 0.218 87 G HA3 -0.184 3.777 3.960 0.002 0.000 0.218 87 G C 1.879 176.854 174.900 0.125 0.000 1.146 87 G CA 0.803 46.191 45.100 0.481 0.000 0.769 87 G HN 0.310 nan 8.290 nan 0.000 0.547 88 V N 0.493 120.459 119.914 0.087 0.000 2.809 88 V HA -0.087 4.034 4.120 0.002 0.000 0.256 88 V C 2.383 178.694 176.094 0.362 0.000 1.080 88 V CA 1.802 64.115 62.300 0.022 0.000 1.102 88 V CB -0.645 31.239 31.823 0.101 0.000 0.705 88 V HN 0.645 nan 8.190 nan 0.000 0.475 89 H N -0.193 119.122 119.070 0.408 0.000 2.489 89 H HA -0.087 4.470 4.556 0.002 0.000 0.293 89 H C 2.048 177.584 175.328 0.348 0.000 1.066 89 H CA 1.241 57.537 56.048 0.413 0.000 1.305 89 H CB 0.066 29.992 29.762 0.273 0.000 1.386 89 H HN 0.418 nan 8.280 nan 0.000 0.551 90 N N 0.107 119.076 118.700 0.449 0.000 2.309 90 N HA -0.152 4.589 4.740 0.002 0.000 0.182 90 N C 1.465 177.269 175.510 0.491 0.000 1.018 90 N CA 0.746 54.094 53.050 0.497 0.000 0.876 90 N CB -0.330 38.407 38.487 0.417 0.000 0.972 90 N HN 0.522 nan 8.380 nan 0.000 0.434 91 W N 1.208 122.670 121.300 0.269 0.000 2.407 91 W HA -0.073 4.587 4.660 0.000 0.000 0.305 91 W C 2.465 179.211 176.519 0.379 0.000 1.196 91 W CA 1.443 58.998 57.345 0.350 0.000 1.311 91 W CB -0.587 28.997 29.460 0.207 0.000 1.135 91 W HN 0.223 nan 8.180 nan 0.000 0.514 92 H N -0.481 118.963 119.070 0.624 0.000 2.319 92 H HA -0.245 4.312 4.556 0.001 0.000 0.299 92 H C 2.166 177.563 175.328 0.114 0.000 1.092 92 H CA 1.599 57.849 56.048 0.335 0.000 1.302 92 H CB -0.172 29.847 29.762 0.429 0.000 1.373 92 H HN 0.189 nan 8.280 nan 0.000 0.497 93 L N 1.007 122.271 121.223 0.069 0.000 2.191 93 L HA -0.073 4.268 4.340 0.002 0.000 0.212 93 L C 2.501 179.303 176.870 -0.114 0.000 1.103 93 L CA 1.603 56.284 54.840 -0.265 0.000 0.769 93 L CB -0.828 40.857 42.059 -0.624 0.000 0.908 93 L HN 0.341 nan 8.230 nan 0.000 0.438 94 A N -0.855 121.915 122.820 -0.083 0.000 2.076 94 A HA -0.152 4.169 4.320 0.002 0.000 0.220 94 A C 2.127 179.526 177.584 -0.309 0.000 1.160 94 A CA 1.834 53.710 52.037 -0.269 0.000 0.653 94 A CB -0.729 17.777 19.000 -0.824 0.000 0.801 94 A HN 0.530 nan 8.150 nan 0.000 0.455 95 L N -2.389 118.690 121.223 -0.241 0.000 2.446 95 L HA 0.179 4.520 4.340 0.002 0.000 0.219 95 L C 0.668 177.425 176.870 -0.189 0.000 1.116 95 L CA -0.407 54.285 54.840 -0.247 0.000 0.844 95 L CB -0.282 41.594 42.059 -0.304 0.000 0.970 95 L HN 0.269 nan 8.230 nan 0.000 0.457 96 F N 0.796 120.561 119.950 -0.309 0.000 2.472 96 F HA 0.024 4.552 4.527 0.001 0.000 0.312 96 F C 1.622 177.306 175.800 -0.194 0.000 1.256 96 F CA -0.412 57.414 58.000 -0.289 0.000 1.275 96 F CB 0.443 39.223 39.000 -0.366 0.000 1.228 96 F HN -0.058 nan 8.300 nan 0.000 0.567 97 S N 0.754 116.483 115.700 0.049 0.000 2.559 97 S HA -0.107 4.364 4.470 0.002 0.000 0.282 97 S C 0.861 175.491 174.600 0.050 0.000 1.336 97 S CA -0.504 57.717 58.200 0.034 0.000 1.037 97 S CB 0.990 64.232 63.200 0.070 0.000 0.853 97 S HN 0.716 nan 8.310 nan 0.000 0.523 98 Q N 1.194 121.024 119.800 0.049 0.000 2.112 98 Q HA -0.252 4.089 4.340 0.002 0.000 0.206 98 Q C 2.267 178.327 176.000 0.099 0.000 0.987 98 Q CA 2.481 58.344 55.803 0.100 0.000 0.858 98 Q CB -0.508 28.270 28.738 0.067 0.000 0.905 98 Q HN 0.930 nan 8.270 nan 0.000 0.420 99 Q N -1.199 118.626 119.800 0.041 0.000 2.084 99 Q HA -0.176 4.165 4.340 0.002 0.000 0.202 99 Q C 1.892 177.912 176.000 0.033 0.000 0.978 99 Q CA 1.514 57.312 55.803 -0.009 0.000 0.844 99 Q CB -0.307 28.323 28.738 -0.180 0.000 0.898 99 Q HN 0.527 nan 8.270 nan 0.000 0.426 100 A N 0.564 123.436 122.820 0.087 0.000 1.877 100 A HA -0.260 4.061 4.320 0.002 0.000 0.216 100 A C 1.926 179.245 177.584 -0.441 0.000 1.186 100 A CA 1.694 53.656 52.037 -0.124 0.000 0.620 100 A CB -0.597 18.325 19.000 -0.131 0.000 0.822 100 A HN 0.523 nan 8.150 nan 0.000 0.443 101 Q N -0.488 119.105 119.800 -0.345 0.000 2.096 101 Q HA -0.222 4.119 4.340 0.002 0.000 0.204 101 Q C 1.988 177.586 176.000 -0.670 0.000 0.982 101 Q CA 1.746 57.209 55.803 -0.566 0.000 0.850 101 Q CB -0.235 28.455 28.738 -0.080 0.000 0.901 101 Q HN 0.779 nan 8.270 nan 0.000 0.422 102 E N 0.655 120.722 120.200 -0.221 0.000 2.077 102 E HA -0.195 4.156 4.350 0.002 0.000 0.193 102 E C 1.597 178.075 176.600 -0.205 0.000 0.989 102 E CA 1.173 57.521 56.400 -0.087 0.000 0.800 102 E CB 0.018 29.809 29.700 0.152 0.000 0.746 102 E HN 0.318 nan 8.360 nan 0.000 0.452 103 D N 0.019 120.275 120.400 -0.240 0.000 2.123 103 D HA -0.139 4.502 4.640 0.002 0.000 0.196 103 D C 1.976 178.055 176.300 -0.368 0.000 0.992 103 D CA 0.903 54.785 54.000 -0.196 0.000 0.833 103 D CB -0.115 40.591 40.800 -0.157 0.000 0.954 103 D HN 0.048 nan 8.370 nan 0.000 0.455 104 V N -0.685 118.704 119.914 -0.875 0.000 2.379 104 V HA -0.100 4.021 4.120 0.002 0.000 0.243 104 V C 1.557 177.274 176.094 -0.629 0.000 1.035 104 V CA 0.950 62.549 62.300 -1.168 0.000 1.035 104 V CB -0.068 30.608 31.823 -1.912 0.000 0.673 104 V HN 0.273 nan 8.190 nan 0.000 0.457 105 W N 0.157 121.068 121.300 -0.648 0.000 3.008 105 W HA 0.421 5.082 4.660 0.002 0.000 0.355 105 W C 2.102 178.411 176.519 -0.350 0.000 1.095 105 W CA 0.091 57.082 57.345 -0.589 0.000 1.738 105 W CB -0.752 28.087 29.460 -1.035 0.000 1.091 105 W HN 0.327 nan 8.180 nan 0.000 0.574 106 G N 1.136 109.897 108.800 -0.065 0.000 2.479 106 G HA2 -0.269 3.692 3.960 0.002 0.000 0.220 106 G HA3 -0.269 3.692 3.960 0.002 0.000 0.220 106 G C 1.331 176.327 174.900 0.160 0.000 1.115 106 G CA 1.045 46.234 45.100 0.148 0.000 0.757 106 G HN 0.094 nan 8.290 nan 0.000 0.560 107 N N -0.569 118.201 118.700 0.116 0.000 2.273 107 N HA 0.102 4.843 4.740 0.002 0.000 0.192 107 N C -0.779 174.796 175.510 0.108 0.000 1.132 107 N CA 0.175 53.289 53.050 0.106 0.000 0.887 107 N CB 1.115 39.653 38.487 0.085 0.000 1.048 107 N HN 0.224 nan 8.380 nan 0.000 0.490 108 D N -0.343 120.133 120.400 0.127 0.000 2.333 108 D HA 0.052 4.693 4.640 0.002 0.000 0.225 108 D C 0.300 176.696 176.300 0.159 0.000 1.345 108 D CA -0.116 53.959 54.000 0.125 0.000 0.971 108 D CB 0.580 41.451 40.800 0.118 0.000 1.451 108 D HN 0.016 nan 8.370 nan 0.000 0.561 109 T N -0.501 114.102 114.554 0.081 0.000 3.148 109 T HA 0.045 4.396 4.350 0.002 0.000 0.253 109 T C 0.632 175.240 174.700 -0.154 0.000 1.134 109 T CA 0.307 62.344 62.100 -0.105 0.000 1.051 109 T CB 0.175 68.967 68.868 -0.126 0.000 0.959 109 T HN 0.185 nan 8.240 nan 0.000 0.525 110 D N 1.118 121.542 120.400 0.041 0.000 2.349 110 D HA 0.168 4.809 4.640 0.002 0.000 0.214 110 D C 0.344 176.735 176.300 0.152 0.000 1.063 110 D CA -0.016 54.032 54.000 0.080 0.000 0.847 110 D CB 0.473 41.328 40.800 0.091 0.000 0.933 110 D HN 0.293 nan 8.370 nan 0.000 0.513 111 V N 1.862 121.930 119.914 0.257 0.000 2.694 111 V HA -0.052 4.069 4.120 0.002 0.000 0.306 111 V C 0.946 177.204 176.094 0.273 0.000 1.054 111 V CA 0.508 62.961 62.300 0.255 0.000 1.161 111 V CB 0.555 32.524 31.823 0.244 0.000 0.916 111 V HN -0.035 nan 8.190 nan 0.000 0.490 112 R N 3.926 124.512 120.500 0.143 0.000 2.720 112 R HA 0.760 5.101 4.340 0.002 0.000 0.272 112 R C -1.249 175.125 176.300 0.124 0.000 0.991 112 R CA -0.840 55.314 56.100 0.091 0.000 1.010 112 R CB 1.740 32.007 30.300 -0.056 0.000 1.141 112 R HN 0.520 nan 8.270 nan 0.000 0.494 113 I N 0.615 121.267 120.570 0.136 0.000 2.498 113 I HA 0.211 4.382 4.170 0.002 0.000 0.290 113 I C 0.110 176.357 176.117 0.216 0.000 1.032 113 I CA -0.250 61.118 61.300 0.114 0.000 1.073 113 I CB 2.105 40.082 38.000 -0.038 0.000 1.251 113 I HN 0.671 nan 8.210 nan 0.000 0.426 114 S N 3.530 119.285 115.700 0.092 0.000 2.758 114 S HA 0.933 5.404 4.470 0.002 0.000 0.292 114 S C -0.138 174.274 174.600 -0.314 0.000 1.131 114 S CA -0.379 57.866 58.200 0.075 0.000 0.997 114 S CB 1.730 64.975 63.200 0.076 0.000 1.111 114 S HN 0.759 nan 8.310 nan 0.000 0.552 115 S N -0.744 114.778 115.700 -0.297 0.000 2.607 115 S HA 0.762 5.233 4.470 0.002 0.000 0.273 115 S C -1.026 173.372 174.600 -0.337 0.000 1.148 115 S CA -0.645 57.206 58.200 -0.582 0.000 0.833 115 S CB 1.368 63.917 63.200 -1.085 0.000 1.130 115 S HN 1.277 nan 8.310 nan 0.000 0.470 116 S N 0.499 115.944 115.700 -0.426 0.000 2.680 116 S HA 0.472 4.943 4.470 0.002 0.000 0.262 116 S C -1.226 173.378 174.600 0.006 0.000 1.138 116 S CA -0.548 57.614 58.200 -0.063 0.000 1.072 116 S CB 0.226 63.529 63.200 0.172 0.000 1.097 116 S HN 0.660 nan 8.310 nan 0.000 0.468 117 Y N 2.338 122.826 120.300 0.313 0.000 2.517 117 Y HA 0.426 4.977 4.550 0.002 0.000 0.281 117 Y C 1.633 177.789 175.900 0.428 0.000 1.125 117 Y CA 0.411 58.726 58.100 0.358 0.000 1.283 117 Y CB -0.193 38.474 38.460 0.345 0.000 1.042 117 Y HN 0.769 nan 8.280 nan 0.000 0.547 118 A N 2.705 125.835 122.820 0.516 0.000 2.445 118 A HA 0.267 4.588 4.320 0.002 0.000 0.242 118 A C -1.969 175.926 177.584 0.518 0.000 1.075 118 A CA -1.129 51.161 52.037 0.422 0.000 0.777 118 A CB -0.418 18.731 19.000 0.248 0.000 1.013 118 A HN 0.023 nan 8.150 nan 0.000 0.493 122 A N -1.750 121.071 122.820 0.002 0.000 2.610 122 A HA 0.934 5.255 4.320 0.002 0.000 0.291 122 A C -0.328 177.229 177.584 -0.045 0.000 1.086 122 A CA 0.112 52.212 52.037 0.105 0.000 0.677 122 A CB 1.499 20.543 19.000 0.074 0.000 1.278 122 A HN 2.234 nan 8.150 nan 0.000 0.414 123 G N 0.056 108.865 108.800 0.015 0.000 2.478 123 G HA2 0.537 4.498 3.960 0.002 0.000 0.317 123 G HA3 0.537 4.498 3.960 0.002 0.000 0.317 123 G C -0.744 174.276 174.900 0.201 0.000 1.259 123 G CA -0.421 44.632 45.100 -0.079 0.000 0.933 123 G HN 0.828 nan 8.290 nan 0.000 0.478 124 Q N 2.202 122.106 119.800 0.172 0.000 2.274 124 Q HA 0.428 4.769 4.340 0.002 0.000 0.256 124 Q C -0.053 176.089 176.000 0.237 0.000 0.927 124 Q CA -0.472 55.442 55.803 0.184 0.000 0.939 124 Q CB 1.563 30.364 28.738 0.105 0.000 1.201 124 Q HN 0.332 nan 8.270 nan 0.000 0.426 125 V N 5.681 125.730 119.914 0.225 0.000 2.557 125 V HA 0.216 4.337 4.120 0.002 0.000 0.301 125 V C 0.431 176.534 176.094 0.014 0.000 1.026 125 V CA 0.639 62.982 62.300 0.072 0.000 1.137 125 V CB -0.179 31.686 31.823 0.070 0.000 0.917 125 V HN 0.692 nan 8.190 nan 0.000 0.484 126 V N 2.290 122.174 119.914 -0.049 0.000 3.156 126 V HA 0.647 4.768 4.120 0.002 0.000 0.310 126 V C -0.435 175.648 176.094 -0.018 0.000 1.234 126 V CA -1.253 61.049 62.300 0.003 0.000 1.065 126 V CB 2.173 34.037 31.823 0.069 0.000 1.088 126 V HN 0.789 nan 8.190 nan 0.000 0.451 127 D N 0.543 120.937 120.400 -0.010 0.000 2.434 127 D HA 0.307 4.947 4.640 0.002 0.000 0.252 127 D C 1.035 177.362 176.300 0.045 0.000 1.185 127 D CA 0.879 54.871 54.000 -0.014 0.000 0.886 127 D CB 0.639 41.416 40.800 -0.038 0.000 1.148 127 D HN 1.935 nan 8.370 nan 0.000 0.483 128 G N 1.372 110.205 108.800 0.055 0.000 2.159 128 G HA2 -0.020 3.941 3.960 0.002 0.000 0.256 128 G HA3 -0.020 3.941 3.960 0.002 0.000 0.256 128 G C 0.636 175.656 174.900 0.201 0.000 0.977 128 G CA 0.298 45.490 45.100 0.153 0.000 0.652 128 G HN 1.399 nan 8.290 nan 0.000 0.531 129 G N -1.500 107.285 108.800 -0.025 0.000 2.591 129 G HA2 0.551 4.512 3.960 0.002 0.000 0.104 129 G HA3 0.551 4.512 3.960 0.002 0.000 0.104 129 G C -1.203 173.238 174.900 -0.766 0.000 1.097 129 G CA 0.079 44.945 45.100 -0.390 0.000 1.076 129 G HN 1.000 nan 8.290 nan 0.000 0.485 130 Y N -0.174 120.149 120.300 0.038 0.000 2.504 130 Y HA 0.643 5.194 4.550 0.002 0.000 0.344 130 Y C -0.129 175.796 175.900 0.043 0.000 1.023 130 Y CA -0.775 57.363 58.100 0.063 0.000 1.020 130 Y CB 2.471 40.987 38.460 0.094 0.000 1.282 130 Y HN 0.405 nan 8.280 nan 0.000 0.454 131 T N 3.143 117.810 114.554 0.190 0.000 2.733 131 T HA 0.515 4.865 4.350 0.002 0.000 0.294 131 T C -0.518 174.184 174.700 0.004 0.000 0.956 131 T CA -0.525 61.644 62.100 0.115 0.000 0.987 131 T CB 0.382 69.313 68.868 0.105 0.000 0.920 131 T HN 0.325 nan 8.240 nan 0.000 0.470 132 V N 5.379 125.248 119.914 -0.076 0.000 2.435 132 V HA 0.507 4.628 4.120 0.002 0.000 0.290 132 V C -0.005 176.064 176.094 -0.042 0.000 1.030 132 V CA -0.934 61.254 62.300 -0.187 0.000 0.881 132 V CB 1.556 33.126 31.823 -0.422 0.000 0.983 132 V HN 0.792 nan 8.190 nan 0.000 0.445 133 N N 2.590 121.277 118.700 -0.021 0.000 2.249 133 N HA 0.803 5.544 4.740 0.002 0.000 0.296 133 N C -0.238 175.225 175.510 -0.080 0.000 1.051 133 N CA -0.153 52.894 53.050 -0.004 0.000 0.815 133 N CB 2.751 41.221 38.487 -0.029 0.000 1.487 133 N HN 0.981 nan 8.380 nan 0.000 0.475 134 G N -0.365 108.379 108.800 -0.093 0.000 2.356 134 G HA2 0.583 4.544 3.960 0.002 0.000 0.294 134 G HA3 0.583 4.544 3.960 0.002 0.000 0.294 134 G C -2.048 172.724 174.900 -0.213 0.000 1.423 134 G CA -0.505 44.319 45.100 -0.460 0.000 0.806 134 G HN 0.548 nan 8.290 nan 0.000 0.527 135 A N 0.025 122.650 122.820 -0.325 0.000 2.702 135 A HA 0.588 4.909 4.320 0.002 0.000 0.305 135 A C -1.048 176.497 177.584 -0.065 0.000 1.213 135 A CA -0.399 51.593 52.037 -0.075 0.000 0.745 135 A CB 0.356 19.320 19.000 -0.059 0.000 1.161 135 A HN 0.591 nan 8.150 nan 0.000 0.445 136 W N 2.790 124.095 121.300 0.007 0.000 2.367 136 W HA 0.485 5.146 4.660 0.002 0.000 0.329 136 W C 0.513 177.067 176.519 0.058 0.000 1.066 136 W CA -0.383 56.987 57.345 0.042 0.000 1.435 136 W CB 1.247 30.705 29.460 -0.005 0.000 1.296 136 W HN 0.824 nan 8.180 nan 0.000 0.401 137 A N 3.231 126.226 122.820 0.292 0.000 2.296 137 A HA 0.401 4.722 4.320 0.002 0.000 0.264 137 A C -0.402 177.410 177.584 0.381 0.000 1.097 137 A CA -0.008 52.152 52.037 0.204 0.000 0.811 137 A CB 0.019 19.076 19.000 0.095 0.000 1.072 137 A HN 0.762 nan 8.150 nan 0.000 0.495 138 W N -0.634 120.735 121.300 0.115 0.000 4.301 138 W HA -0.156 4.505 4.660 0.002 0.000 0.360 138 W C 0.693 177.230 176.519 0.029 0.000 1.371 138 W CA 0.704 58.086 57.345 0.063 0.000 0.781 138 W CB -1.891 27.673 29.460 0.172 0.000 2.488 138 W HN 0.647 nan 8.180 nan 0.000 1.350 139 S N 1.204 116.973 115.700 0.115 0.000 3.036 139 S HA 0.423 4.894 4.470 0.002 0.000 0.301 139 S C 0.771 175.394 174.600 0.038 0.000 1.205 139 S CA -0.167 58.080 58.200 0.078 0.000 0.999 139 S CB 0.030 63.232 63.200 0.003 0.000 1.337 139 S HN 0.167 nan 8.310 nan 0.000 0.515 140 S N 3.040 118.814 115.700 0.125 0.000 2.546 140 S HA 0.330 4.801 4.470 0.002 0.000 0.290 140 S C 1.455 176.142 174.600 0.146 0.000 1.290 140 S CA 0.435 58.711 58.200 0.127 0.000 1.069 140 S CB 0.447 63.861 63.200 0.356 0.000 0.846 140 S HN 1.252 nan 8.310 nan 0.000 0.495 141 G N 1.172 110.045 108.800 0.121 0.000 2.168 141 G HA2 -0.365 3.596 3.960 0.002 0.000 0.257 141 G HA3 -0.365 3.596 3.960 0.002 0.000 0.257 141 G C 0.991 175.982 174.900 0.152 0.000 0.997 141 G CA 0.406 45.627 45.100 0.201 0.000 0.708 141 G HN 1.231 nan 8.290 nan 0.000 0.520 142 C N -1.819 117.521 119.300 0.068 0.000 2.419 142 C HA 0.124 4.585 4.460 0.002 0.000 0.281 142 C C 2.096 177.107 174.990 0.036 0.000 1.336 142 C CA 1.252 60.304 59.018 0.056 0.000 1.770 142 C CB -0.657 27.093 27.740 0.017 0.000 1.929 142 C HN 0.486 nan 8.230 nan 0.000 0.509 143 D N -0.046 120.324 120.400 -0.051 0.000 2.310 143 D HA -0.115 4.526 4.640 0.002 0.000 0.212 143 D C 1.804 177.966 176.300 -0.231 0.000 0.965 143 D CA 0.947 54.848 54.000 -0.165 0.000 0.879 143 D CB -0.408 40.227 40.800 -0.274 0.000 0.921 143 D HN 0.655 nan 8.370 nan 0.000 0.510 144 H N -0.878 118.219 119.070 0.045 0.000 2.517 144 H HA 0.536 5.093 4.556 0.002 0.000 0.282 144 H C -0.071 175.269 175.328 0.019 0.000 1.023 144 H CA 0.187 56.253 56.048 0.030 0.000 1.169 144 H CB 0.260 30.041 29.762 0.032 0.000 1.454 144 H HN 0.079 nan 8.280 nan 0.000 0.556 145 A N 0.447 123.337 122.820 0.115 0.000 2.423 145 A HA 0.476 4.797 4.320 0.002 0.000 0.304 145 A C 0.649 178.287 177.584 0.090 0.000 1.104 145 A CA -0.334 51.772 52.037 0.116 0.000 0.757 145 A CB 1.179 20.265 19.000 0.142 0.000 1.313 145 A HN 0.175 nan 8.150 nan 0.000 0.423 146 S N -1.408 114.356 115.700 0.107 0.000 2.629 146 S HA 0.382 4.853 4.470 0.002 0.000 0.236 146 S C -0.578 173.914 174.600 -0.181 0.000 1.010 146 S CA -0.255 57.921 58.200 -0.039 0.000 0.981 146 S CB -0.286 62.888 63.200 -0.042 0.000 0.919 146 S HN 0.625 nan 8.310 nan 0.000 0.514 147 W N 0.168 121.457 121.300 -0.018 0.000 3.083 147 W HA 0.770 5.431 4.660 0.002 0.000 0.333 147 W C -0.668 175.846 176.519 -0.008 0.000 1.217 147 W CA -0.731 56.600 57.345 -0.023 0.000 1.170 147 W CB 1.632 30.966 29.460 -0.209 0.000 1.437 147 W HN 0.131 nan 8.180 nan 0.000 0.557 148 A N 1.085 124.007 122.820 0.171 0.000 2.435 148 A HA 0.827 5.148 4.320 0.002 0.000 0.304 148 A C -1.244 176.183 177.584 -0.262 0.000 1.064 148 A CA -0.852 51.083 52.037 -0.171 0.000 0.727 148 A CB 1.171 19.873 19.000 -0.496 0.000 1.284 148 A HN 0.952 nan 8.150 nan 0.000 0.415 149 V N 0.281 119.964 119.914 -0.385 0.000 2.370 149 V HA 0.798 4.919 4.120 0.002 0.000 0.283 149 V C -0.664 175.162 176.094 -0.447 0.000 1.023 149 V CA -0.512 61.572 62.300 -0.360 0.000 0.857 149 V CB 0.532 32.184 31.823 -0.285 0.000 0.985 149 V HN 0.655 nan 8.190 nan 0.000 0.443 150 L N 5.188 126.152 121.223 -0.432 0.000 2.376 150 L HA 0.787 5.128 4.340 0.002 0.000 0.275 150 L C 0.745 177.448 176.870 -0.278 0.000 0.987 150 L CA -0.531 53.840 54.840 -0.782 0.000 0.828 150 L CB 1.943 43.028 42.059 -1.623 0.000 1.249 150 L HN 0.872 nan 8.230 nan 0.000 0.409 151 G N 1.234 110.081 108.800 0.079 0.000 2.395 151 G HA2 0.680 4.641 3.960 0.002 0.000 0.283 151 G HA3 0.680 4.641 3.960 0.002 0.000 0.283 151 G C -0.180 174.947 174.900 0.378 0.000 1.178 151 G CA -0.003 45.304 45.100 0.345 0.000 0.837 151 G HN 0.843 nan 8.290 nan 0.000 0.518 152 G N 1.839 110.486 108.800 -0.255 0.000 2.368 152 G HA2 0.632 4.593 3.960 0.002 0.000 0.293 152 G HA3 0.632 4.593 3.960 0.002 0.000 0.293 152 G C -3.389 171.208 174.900 -0.504 0.000 1.467 152 G CA -0.796 44.224 45.100 -0.133 0.000 0.804 152 G HN 0.568 nan 8.290 nan 0.000 0.535 153 P HA 0.439 nan 4.420 nan 0.000 0.277 153 P C -0.256 177.127 177.300 0.138 0.000 1.240 153 P CA -0.294 62.842 63.100 0.060 0.000 0.798 153 P CB 1.810 33.638 31.700 0.213 0.000 0.979 154 V N 3.982 123.955 119.914 0.098 0.000 2.432 154 V HA 0.198 4.319 4.120 0.002 0.000 0.275 154 V C 0.563 176.761 176.094 0.174 0.000 1.043 154 V CA -0.406 61.991 62.300 0.161 0.000 0.925 154 V CB 0.748 32.627 31.823 0.093 0.000 0.985 154 V HN 0.358 nan 8.190 nan 0.000 0.466 155 I N 5.345 126.030 120.570 0.192 0.000 2.354 155 I HA 0.525 4.696 4.170 0.002 0.000 0.292 155 I C -0.061 176.144 176.117 0.146 0.000 0.989 155 I CA -0.483 60.905 61.300 0.146 0.000 1.188 155 I CB 1.281 39.352 38.000 0.118 0.000 1.342 155 I HN 0.606 nan 8.210 nan 0.000 0.457 156 K N 5.578 126.047 120.400 0.116 0.000 2.443 156 K HA 0.246 4.567 4.320 0.002 0.000 0.252 156 K C -0.688 175.955 176.600 0.072 0.000 0.933 156 K CA -0.402 55.943 56.287 0.096 0.000 0.792 156 K CB 1.263 33.822 32.500 0.098 0.000 1.185 156 K HN 0.535 nan 8.250 nan 0.000 0.425 157 D N 3.163 123.598 120.400 0.059 0.000 2.701 157 D HA -0.210 4.431 4.640 0.002 0.000 0.235 157 D C 0.616 176.944 176.300 0.047 0.000 1.155 157 D CA 1.854 55.882 54.000 0.046 0.000 0.649 157 D CB -0.935 39.889 40.800 0.040 0.000 1.050 157 D HN 1.103 nan 8.370 nan 0.000 0.425 158 G N -1.989 106.842 108.800 0.052 0.000 2.179 158 G HA2 -0.172 3.789 3.960 0.002 0.000 0.260 158 G HA3 -0.172 3.789 3.960 0.002 0.000 0.260 158 G C 0.419 175.352 174.900 0.055 0.000 0.977 158 G CA 1.181 46.310 45.100 0.049 0.000 0.641 158 G HN 0.980 nan 8.290 nan 0.000 0.533 159 R N 0.310 120.848 120.500 0.063 0.000 2.750 159 R HA 0.894 5.235 4.340 0.002 0.000 0.281 159 R C -2.951 173.400 176.300 0.085 0.000 0.972 159 R CA -1.197 54.943 56.100 0.067 0.000 0.912 159 R CB 0.907 31.242 30.300 0.058 0.000 1.187 159 R HN 0.237 nan 8.270 nan 0.000 0.464 160 P HA 0.142 nan 4.420 nan 0.000 0.271 160 P C 0.416 177.780 177.300 0.107 0.000 1.220 160 P CA 0.227 63.397 63.100 0.116 0.000 0.768 160 P CB 1.290 33.070 31.700 0.133 0.000 0.848 161 V N -1.423 118.558 119.914 0.112 0.000 3.451 161 V HA 0.451 4.572 4.120 0.002 0.000 0.288 161 V C 0.060 176.212 176.094 0.096 0.000 1.502 161 V CA 0.235 62.593 62.300 0.097 0.000 1.026 161 V CB 0.372 32.251 31.823 0.093 0.000 0.840 161 V HN 0.380 nan 8.190 nan 0.000 0.437 162 D N -0.726 119.739 120.400 0.109 0.000 2.653 162 D HA 0.451 5.092 4.640 0.002 0.000 0.258 162 D C -2.094 174.302 176.300 0.160 0.000 1.252 162 D CA -0.312 53.748 54.000 0.100 0.000 0.777 162 D CB 2.634 43.449 40.800 0.024 0.000 1.339 162 D HN 0.051 nan 8.370 nan 0.000 0.422 163 F N 2.144 122.113 119.950 0.031 0.000 2.536 163 F HA 0.549 5.077 4.527 0.001 0.000 0.322 163 F C -0.693 175.160 175.800 0.089 0.000 1.144 163 F CA -0.340 57.708 58.000 0.079 0.000 0.924 163 F CB 1.068 40.138 39.000 0.117 0.000 1.181 163 F HN 0.198 nan 8.300 nan 0.000 0.438 164 V N 0.984 120.632 119.914 -0.444 0.000 3.167 164 V HA 0.745 4.866 4.120 0.002 0.000 0.310 164 V C -0.909 174.825 176.094 -0.600 0.000 1.207 164 V CA -0.886 61.081 62.300 -0.556 0.000 1.059 164 V CB 1.653 32.947 31.823 -0.882 0.000 1.079 164 V HN 0.608 nan 8.190 nan 0.000 0.446 165 S N 1.104 116.401 115.700 -0.671 0.000 2.451 165 S HA 0.786 5.257 4.470 0.002 0.000 0.301 165 S C -0.987 173.299 174.600 -0.524 0.000 1.116 165 S CA -0.163 57.802 58.200 -0.392 0.000 1.093 165 S CB 0.804 63.968 63.200 -0.061 0.000 1.017 165 S HN 0.531 nan 8.310 nan 0.000 0.482 166 F N 2.476 122.299 119.950 -0.210 0.000 2.410 166 F HA 0.450 4.978 4.527 0.002 0.000 0.349 166 F C 0.019 175.690 175.800 -0.215 0.000 1.117 166 F CA -1.004 56.867 58.000 -0.216 0.000 1.104 166 F CB 0.714 39.555 39.000 -0.266 0.000 1.122 166 F HN 0.323 nan 8.300 nan 0.000 0.483 167 L N 5.933 127.153 121.223 -0.005 0.000 2.260 167 L HA 0.591 4.932 4.340 0.002 0.000 0.289 167 L C -0.868 176.034 176.870 0.053 0.000 1.057 167 L CA -0.104 54.652 54.840 -0.140 0.000 0.811 167 L CB 0.002 41.782 42.059 -0.465 0.000 1.184 167 L HN 0.466 nan 8.230 nan 0.000 0.429 168 I N 7.234 127.877 120.570 0.122 0.000 2.533 168 I HA 0.466 4.637 4.170 0.002 0.000 0.290 168 I C -2.353 173.795 176.117 0.051 0.000 1.056 168 I CA -1.879 59.483 61.300 0.103 0.000 1.057 168 I CB 2.366 40.392 38.000 0.044 0.000 1.240 168 I HN 0.488 nan 8.210 nan 0.000 0.423 169 P HA 0.217 nan 4.420 nan 0.000 0.277 169 P C 0.149 176.958 177.300 -0.818 0.000 1.240 169 P CA -0.501 61.873 63.100 -1.211 0.000 0.798 169 P CB 1.380 32.140 31.700 -1.566 0.000 0.979 170 R N 1.976 121.879 120.500 -0.994 0.000 2.159 170 R HA -0.167 4.174 4.340 0.002 0.000 0.237 170 R C 2.063 177.804 176.300 -0.931 0.000 1.131 170 R CA 1.746 57.020 56.100 -1.376 0.000 0.982 170 R CB -0.300 29.505 30.300 -0.824 0.000 0.868 170 R HN 0.576 nan 8.270 nan 0.000 0.453 171 E N -0.489 119.341 120.200 -0.617 0.000 2.267 171 E HA -0.207 4.144 4.350 0.002 0.000 0.197 171 E C 0.288 176.698 176.600 -0.317 0.000 0.998 171 E CA 1.352 57.516 56.400 -0.393 0.000 0.830 171 E CB -0.015 29.503 29.700 -0.304 0.000 0.751 171 E HN 0.355 nan 8.360 nan 0.000 0.491 172 D N -0.291 119.899 120.400 -0.349 0.000 2.369 172 D HA 0.100 4.741 4.640 0.002 0.000 0.211 172 D C -0.344 175.932 176.300 -0.041 0.000 1.077 172 D CA 0.174 54.078 54.000 -0.159 0.000 0.842 172 D CB 0.205 40.947 40.800 -0.098 0.000 0.947 172 D HN 0.370 nan 8.370 nan 0.000 0.509 173 Y N -1.433 118.804 120.300 -0.105 0.000 2.609 173 Y HA 0.626 5.176 4.550 0.001 0.000 0.342 173 Y C -0.541 175.327 175.900 -0.055 0.000 1.058 173 Y CA -1.654 56.408 58.100 -0.063 0.000 1.055 173 Y CB 1.168 39.593 38.460 -0.059 0.000 1.292 173 Y HN -0.386 nan 8.280 nan 0.000 0.476 174 R N 1.882 122.521 120.500 0.232 0.000 2.637 174 R HA 0.702 5.043 4.340 0.002 0.000 0.291 174 R C -1.652 174.760 176.300 0.187 0.000 0.963 174 R CA -0.799 55.382 56.100 0.136 0.000 0.901 174 R CB 1.286 31.629 30.300 0.070 0.000 1.160 174 R HN 0.923 nan 8.270 nan 0.000 0.457 175 I N 3.465 124.115 120.570 0.135 0.000 2.321 175 I HA 0.184 4.355 4.170 0.002 0.000 0.291 175 I C -0.652 175.498 176.117 0.055 0.000 0.998 175 I CA -0.606 60.755 61.300 0.101 0.000 1.227 175 I CB 1.648 39.702 38.000 0.090 0.000 1.368 175 I HN 0.443 nan 8.210 nan 0.000 0.466 176 D N 5.157 125.584 120.400 0.046 0.000 2.232 176 D HA 0.118 4.759 4.640 0.002 0.000 0.242 176 D C -0.353 175.965 176.300 0.031 0.000 1.093 176 D CA -0.180 53.839 54.000 0.032 0.000 0.845 176 D CB 1.398 42.214 40.800 0.027 0.000 1.124 176 D HN 0.357 nan 8.370 nan 0.000 0.467 177 D N 2.052 122.471 120.400 0.031 0.000 2.374 177 D HA 0.064 4.705 4.640 0.002 0.000 0.240 177 D C 0.678 177.007 176.300 0.048 0.000 1.229 177 D CA -0.325 53.703 54.000 0.046 0.000 0.895 177 D CB 0.436 41.261 40.800 0.041 0.000 1.046 177 D HN 0.142 nan 8.370 nan 0.000 0.498 178 V N 2.092 122.047 119.914 0.069 0.000 3.398 178 V HA 0.317 4.438 4.120 0.002 0.000 0.298 178 V C 0.535 176.678 176.094 0.081 0.000 1.496 178 V CA -0.936 61.390 62.300 0.043 0.000 1.044 178 V CB -0.584 31.240 31.823 0.002 0.000 0.880 178 V HN 0.527 nan 8.190 nan 0.000 0.443 179 W N 3.497 124.735 121.300 -0.104 0.000 2.666 179 W HA 0.392 5.053 4.660 0.002 0.000 0.365 179 W C -0.748 175.719 176.519 -0.087 0.000 1.224 179 W CA -0.005 57.270 57.345 -0.116 0.000 1.515 179 W CB 0.326 29.744 29.460 -0.071 0.000 1.562 179 W HN 0.343 nan 8.180 nan 0.000 0.455 180 N N 5.865 124.308 118.700 -0.428 0.000 2.707 180 N HA 0.160 4.901 4.740 0.002 0.000 0.249 180 N C -0.821 174.398 175.510 -0.485 0.000 1.299 180 N CA -0.082 52.742 53.050 -0.375 0.000 0.769 180 N CB 1.362 39.736 38.487 -0.188 0.000 1.236 180 N HN 0.185 nan 8.380 nan 0.000 0.524 181 V N -2.294 117.228 119.914 -0.654 0.000 3.141 181 V HA 0.509 4.629 4.120 0.002 0.000 0.312 181 V C 0.994 176.862 176.094 -0.378 0.000 1.157 181 V CA -0.809 61.137 62.300 -0.589 0.000 1.041 181 V CB 1.768 33.012 31.823 -0.965 0.000 1.071 181 V HN 0.037 nan 8.190 nan 0.000 0.441 182 V N 0.999 120.748 119.914 -0.274 0.000 2.871 182 V HA 0.479 4.599 4.120 0.002 0.000 0.256 182 V C 0.897 176.880 176.094 -0.184 0.000 1.082 182 V CA 1.949 64.130 62.300 -0.198 0.000 1.105 182 V CB -0.103 31.614 31.823 -0.178 0.000 0.713 182 V HN 1.410 nan 8.190 nan 0.000 0.473 183 G N -2.156 106.529 108.800 -0.193 0.000 2.684 183 G HA2 0.480 4.441 3.960 0.002 0.000 0.290 183 G HA3 0.480 4.441 3.960 0.002 0.000 0.290 183 G C -0.374 174.479 174.900 -0.079 0.000 1.425 183 G CA -0.465 44.552 45.100 -0.138 0.000 0.822 183 G HN 0.186 nan 8.290 nan 0.000 0.482 184 L N -0.457 120.745 121.223 -0.034 0.000 3.781 184 L HA -0.251 4.090 4.340 0.002 0.000 0.426 184 L C 2.336 179.392 176.870 0.311 0.000 1.197 184 L CA 0.231 55.109 54.840 0.063 0.000 0.907 184 L CB -0.734 41.282 42.059 -0.071 0.000 1.812 184 L HN 0.710 nan 8.230 nan 0.000 0.956 185 R N 0.178 120.774 120.500 0.161 0.000 2.096 185 R HA -0.123 4.218 4.340 0.002 0.000 0.235 185 R C 2.177 178.702 176.300 0.374 0.000 1.127 185 R CA 1.519 57.733 56.100 0.189 0.000 0.968 185 R CB -0.280 30.027 30.300 0.012 0.000 0.861 185 R HN 0.615 nan 8.270 nan 0.000 0.440 186 G N 0.366 109.307 108.800 0.234 0.000 2.535 186 G HA2 -0.242 3.719 3.960 0.002 0.000 0.218 186 G HA3 -0.242 3.719 3.960 0.002 0.000 0.218 186 G C 1.413 176.440 174.900 0.212 0.000 1.122 186 G CA 1.187 46.406 45.100 0.197 0.000 0.769 186 G HN 0.460 nan 8.290 nan 0.000 0.549 187 T N -1.999 112.700 114.554 0.243 0.000 3.035 187 T HA 0.239 4.590 4.350 0.002 0.000 0.268 187 T C 1.891 176.544 174.700 -0.078 0.000 1.109 187 T CA 0.879 63.054 62.100 0.125 0.000 1.119 187 T CB -0.367 68.583 68.868 0.137 0.000 0.900 187 T HN 1.227 nan 8.240 nan 0.000 0.503 188 G N 1.317 110.017 108.800 -0.167 0.000 2.393 188 G HA2 -0.239 3.722 3.960 0.002 0.000 0.299 188 G HA3 -0.239 3.722 3.960 0.002 0.000 0.299 188 G C 0.144 174.728 174.900 -0.527 0.000 0.990 188 G CA 0.290 45.241 45.100 -0.248 0.000 1.118 188 G HN 0.616 nan 8.290 nan 0.000 0.513 189 S N 0.293 115.171 115.700 -1.371 0.000 4.183 189 S HA 0.218 4.689 4.470 0.002 0.000 0.195 189 S C 1.014 175.257 174.600 -0.596 0.000 1.421 189 S CA -0.236 57.344 58.200 -1.033 0.000 0.920 189 S CB -0.080 62.213 63.200 -1.513 0.000 1.525 189 S HN 0.714 nan 8.310 nan 0.000 0.447 190 N N 0.699 119.244 118.700 -0.258 0.000 2.366 190 N HA 0.299 5.040 4.740 0.002 0.000 0.277 190 N C -0.193 175.293 175.510 -0.039 0.000 1.275 190 N CA -0.256 52.747 53.050 -0.078 0.000 0.964 190 N CB 0.486 38.962 38.487 -0.019 0.000 1.167 190 N HN 0.113 nan 8.380 nan 0.000 0.568 191 T N 0.559 115.113 114.554 0.001 0.000 2.771 191 T HA 0.339 4.690 4.350 0.002 0.000 0.281 191 T C -0.618 174.110 174.700 0.046 0.000 0.982 191 T CA -0.548 61.572 62.100 0.033 0.000 0.978 191 T CB 0.994 69.877 68.868 0.025 0.000 0.930 191 T HN 0.031 nan 8.240 nan 0.000 0.447 192 V N 4.780 124.728 119.914 0.056 0.000 2.348 192 V HA 0.304 4.425 4.120 0.002 0.000 0.270 192 V C 0.005 176.165 176.094 0.110 0.000 1.037 192 V CA -0.580 61.712 62.300 -0.015 0.000 0.872 192 V CB 1.119 32.769 31.823 -0.287 0.000 1.002 192 V HN 0.680 nan 8.190 nan 0.000 0.464 193 V N 6.346 126.332 119.914 0.120 0.000 2.370 193 V HA 0.480 4.601 4.120 0.002 0.000 0.279 193 V C -0.124 176.066 176.094 0.160 0.000 1.029 193 V CA -0.479 61.900 62.300 0.132 0.000 0.870 193 V CB 1.784 33.658 31.823 0.086 0.000 0.984 193 V HN 0.575 nan 8.190 nan 0.000 0.451 194 V N 4.817 124.836 119.914 0.175 0.000 2.483 194 V HA 0.493 4.613 4.120 0.002 0.000 0.297 194 V C -0.389 175.766 176.094 0.102 0.000 1.027 194 V CA -0.594 61.806 62.300 0.167 0.000 0.855 194 V CB 1.808 33.780 31.823 0.249 0.000 0.995 194 V HN 0.959 nan 8.190 nan 0.000 0.424 195 E N 3.151 123.393 120.200 0.069 0.000 2.235 195 E HA 0.379 4.730 4.350 0.002 0.000 0.252 195 E C -0.719 175.902 176.600 0.035 0.000 0.886 195 E CA -0.513 55.911 56.400 0.040 0.000 0.767 195 E CB 1.291 31.010 29.700 0.031 0.000 1.205 195 E HN 0.775 nan 8.360 nan 0.000 0.421 196 D N 1.801 122.219 120.400 0.030 0.000 2.699 196 D HA -0.161 4.480 4.640 0.002 0.000 0.239 196 D C -1.358 174.972 176.300 0.051 0.000 1.136 196 D CA 0.493 54.514 54.000 0.034 0.000 0.668 196 D CB -0.652 40.164 40.800 0.026 0.000 1.060 196 D HN 0.151 nan 8.370 nan 0.000 0.429 197 V N 2.021 121.965 119.914 0.049 0.000 2.394 197 V HA 0.412 4.533 4.120 0.002 0.000 0.282 197 V C 0.485 176.638 176.094 0.097 0.000 1.031 197 V CA -0.872 61.465 62.300 0.061 0.000 0.881 197 V CB 1.188 33.029 31.823 0.029 0.000 0.982 197 V HN 0.260 nan 8.190 nan 0.000 0.451 198 F N 6.515 126.463 119.950 -0.004 0.000 2.467 198 F HA 0.520 5.048 4.527 0.002 0.000 0.362 198 F C -0.102 175.715 175.800 0.029 0.000 1.090 198 F CA -0.208 57.799 58.000 0.012 0.000 1.202 198 F CB 0.888 39.892 39.000 0.007 0.000 1.113 198 F HN 0.232 nan 8.300 nan 0.000 0.541 199 V N 8.821 128.314 119.914 -0.701 0.000 2.407 199 V HA 0.362 4.483 4.120 0.002 0.000 0.291 199 V C -2.109 173.459 176.094 -0.875 0.000 1.018 199 V CA -1.801 60.146 62.300 -0.588 0.000 0.842 199 V CB 1.395 33.136 31.823 -0.137 0.000 0.996 199 V HN 0.652 nan 8.190 nan 0.000 0.426 200 P HA 0.147 nan 4.420 nan 0.000 0.274 200 P C 0.932 178.127 177.300 -0.176 0.000 1.231 200 P CA 0.001 62.810 63.100 -0.485 0.000 0.790 200 P CB 0.975 32.581 31.700 -0.157 0.000 0.951 201 T N 0.896 115.454 114.554 0.007 0.000 2.685 201 T HA -0.229 4.122 4.350 0.002 0.000 0.268 201 T C 1.603 176.351 174.700 0.079 0.000 1.034 201 T CA 2.047 64.222 62.100 0.127 0.000 1.149 201 T CB -1.097 67.831 68.868 0.099 0.000 0.860 201 T HN 0.651 nan 8.240 nan 0.000 0.449 202 H N 0.925 120.020 119.070 0.041 0.000 2.545 202 H HA 0.086 4.643 4.556 0.001 0.000 0.282 202 H C 1.461 176.809 175.328 0.035 0.000 1.020 202 H CA 0.721 56.781 56.048 0.020 0.000 1.243 202 H CB -0.249 29.520 29.762 0.011 0.000 1.377 202 H HN 0.310 nan 8.280 nan 0.000 0.581 203 R N 1.082 121.373 120.500 -0.348 0.000 2.480 203 R HA 0.323 4.664 4.340 0.002 0.000 0.277 203 R C -0.588 175.737 176.300 0.042 0.000 1.008 203 R CA -0.125 55.865 56.100 -0.183 0.000 1.090 203 R CB 0.945 31.052 30.300 -0.321 0.000 1.234 203 R HN 0.033 nan 8.270 nan 0.000 0.549 204 V N 1.501 121.394 119.914 -0.035 0.000 2.656 204 V HA 0.379 4.500 4.120 0.002 0.000 0.307 204 V C -1.093 174.696 176.094 -0.508 0.000 1.051 204 V CA -1.024 61.132 62.300 -0.241 0.000 0.893 204 V CB 2.324 33.981 31.823 -0.276 0.000 0.999 204 V HN 0.007 nan 8.190 nan 0.000 0.426 205 L N 3.820 124.535 121.223 -0.847 0.000 2.406 205 L HA 0.658 4.999 4.340 0.002 0.000 0.272 205 L C -0.016 176.374 176.870 -0.800 0.000 0.980 205 L CA 0.160 54.400 54.840 -1.000 0.000 0.831 205 L CB 2.087 43.067 42.059 -1.798 0.000 1.253 205 L HN 0.707 nan 8.230 nan 0.000 0.406 206 S N 3.456 118.834 115.700 -0.536 0.000 2.548 206 S HA 0.265 4.736 4.470 0.002 0.000 0.277 206 S C 1.080 175.472 174.600 -0.346 0.000 1.315 206 S CA -0.047 57.938 58.200 -0.359 0.000 1.050 206 S CB 0.260 63.351 63.200 -0.182 0.000 0.918 206 S HN 0.510 nan 8.310 nan 0.000 0.497 207 F N 3.099 122.973 119.950 -0.127 0.000 2.365 207 F HA 0.073 4.601 4.527 0.001 0.000 0.300 207 F C 2.259 178.024 175.800 -0.058 0.000 1.090 207 F CA 0.920 58.853 58.000 -0.111 0.000 1.408 207 F CB -0.208 38.779 39.000 -0.022 0.000 1.060 207 F HN 0.508 nan 8.300 nan 0.000 0.534 208 K N 1.173 121.647 120.400 0.124 0.000 2.097 208 K HA 0.061 4.381 4.320 0.002 0.000 0.205 208 K C 1.152 177.761 176.600 0.016 0.000 1.050 208 K CA 0.811 57.142 56.287 0.073 0.000 0.938 208 K CB -0.566 31.970 32.500 0.060 0.000 0.718 208 K HN 0.109 nan 8.250 nan 0.000 0.442 212 N N 2.185 120.916 118.700 0.052 0.000 2.550 212 N HA 0.315 5.056 4.740 0.002 0.000 0.186 212 N C 0.614 176.143 175.510 0.031 0.000 1.110 212 N CA 0.837 53.907 53.050 0.033 0.000 0.912 212 N CB -0.595 37.899 38.487 0.013 0.000 0.968 212 N HN 0.633 nan 8.380 nan 0.000 0.448 213 L N -0.052 121.194 121.223 0.039 0.000 3.717 213 L HA -0.241 4.100 4.340 0.002 0.000 0.414 213 L C 0.336 177.209 176.870 0.005 0.000 1.228 213 L CA 0.894 55.754 54.840 0.034 0.000 0.918 213 L CB -2.248 39.841 42.059 0.051 0.000 1.865 213 L HN 0.284 nan 8.230 nan 0.000 0.922 214 T N -4.048 110.496 114.554 -0.017 0.000 3.132 214 T HA 0.590 4.941 4.350 0.002 0.000 0.274 214 T C 0.812 175.470 174.700 -0.070 0.000 1.011 214 T CA 0.290 62.369 62.100 -0.035 0.000 0.899 214 T CB 0.535 69.385 68.868 -0.030 0.000 1.089 214 T HN 0.474 nan 8.240 nan 0.000 0.543 215 A N 3.558 126.321 122.820 -0.095 0.000 2.540 215 A HA 0.426 4.747 4.320 0.002 0.000 0.239 215 A C -0.482 177.025 177.584 -0.128 0.000 1.061 215 A CA -1.033 50.912 52.037 -0.155 0.000 0.758 215 A CB 0.248 19.128 19.000 -0.199 0.000 0.991 215 A HN 0.292 nan 8.150 nan 0.000 0.502 216 P HA -0.101 nan 4.420 nan 0.000 0.221 216 P C 1.489 178.741 177.300 -0.080 0.000 1.150 216 P CA 1.639 64.685 63.100 -0.090 0.000 0.800 216 P CB -0.056 31.595 31.700 -0.082 0.000 0.787 217 G N 0.563 109.299 108.800 -0.107 0.000 2.470 217 G HA2 -0.182 3.779 3.960 0.002 0.000 0.220 217 G HA3 -0.182 3.779 3.960 0.002 0.000 0.220 217 G C 1.565 176.397 174.900 -0.114 0.000 1.121 217 G CA 0.219 45.257 45.100 -0.105 0.000 0.766 217 G HN 0.247 nan 8.290 nan 0.000 0.553 218 L N 0.101 121.265 121.223 -0.099 0.000 2.362 218 L HA -0.008 4.333 4.340 0.002 0.000 0.219 218 L C 2.605 179.455 176.870 -0.033 0.000 1.134 218 L CA 0.975 55.781 54.840 -0.058 0.000 0.807 218 L CB -0.252 41.789 42.059 -0.030 0.000 0.927 218 L HN 0.368 nan 8.230 nan 0.000 0.447 219 E N 0.765 120.942 120.200 -0.039 0.000 2.077 219 E HA -0.210 4.141 4.350 0.002 0.000 0.193 219 E C 2.234 178.817 176.600 -0.029 0.000 0.989 219 E CA 1.196 57.579 56.400 -0.028 0.000 0.800 219 E CB 0.199 29.882 29.700 -0.029 0.000 0.746 219 E HN 0.441 nan 8.360 nan 0.000 0.452 220 R N -0.380 120.096 120.500 -0.040 0.000 2.206 220 R HA 0.124 4.465 4.340 0.002 0.000 0.198 220 R C 0.175 176.443 176.300 -0.052 0.000 0.986 220 R CA 0.036 56.105 56.100 -0.051 0.000 1.029 220 R CB 0.244 30.506 30.300 -0.064 0.000 0.966 220 R HN 0.024 nan 8.270 nan 0.000 0.487 221 N N 1.689 120.350 118.700 -0.065 0.000 2.918 221 N HA 0.017 4.758 4.740 0.002 0.000 0.247 221 N C 0.329 175.874 175.510 0.058 0.000 1.117 221 N CA 0.213 53.224 53.050 -0.066 0.000 1.005 221 N CB 1.450 39.750 38.487 -0.312 0.000 1.297 221 N HN 0.168 nan 8.380 nan 0.000 0.513 222 T N -2.619 111.988 114.554 0.090 0.000 3.129 222 T HA 0.213 4.564 4.350 0.002 0.000 0.251 222 T C 0.943 175.735 174.700 0.152 0.000 1.117 222 T CA -0.456 61.705 62.100 0.101 0.000 1.034 222 T CB 0.190 69.089 68.868 0.051 0.000 0.968 222 T HN 0.306 nan 8.240 nan 0.000 0.526 223 A N 3.397 126.361 122.820 0.240 0.000 2.531 223 A HA 0.408 4.729 4.320 0.002 0.000 0.236 223 A C -0.431 177.235 177.584 0.136 0.000 1.062 223 A CA -1.208 50.935 52.037 0.177 0.000 0.760 223 A CB 0.210 19.310 19.000 0.167 0.000 0.995 223 A HN 0.226 nan 8.150 nan 0.000 0.501 224 P HA -0.146 nan 4.420 nan 0.000 0.219 224 P C 1.490 178.910 177.300 0.201 0.000 1.146 224 P CA 1.227 64.388 63.100 0.102 0.000 0.808 224 P CB -0.055 31.619 31.700 -0.043 0.000 0.779 225 V N -0.918 119.103 119.914 0.178 0.000 2.568 225 V HA -0.228 3.893 4.120 0.002 0.000 0.253 225 V C 1.875 178.068 176.094 0.165 0.000 1.072 225 V CA 1.710 64.082 62.300 0.120 0.000 1.084 225 V CB -1.362 30.353 31.823 -0.181 0.000 0.676 225 V HN -0.020 nan 8.190 nan 0.000 0.469 226 Y N 0.624 121.084 120.300 0.267 0.000 2.583 226 Y HA 0.194 4.746 4.550 0.002 0.000 0.293 226 Y C 1.499 177.477 175.900 0.131 0.000 1.157 226 Y CA 0.049 58.170 58.100 0.035 0.000 1.315 226 Y CB -0.401 37.957 38.460 -0.170 0.000 1.021 226 Y HN 0.307 nan 8.280 nan 0.000 0.536 230 W N 2.600 123.990 121.300 0.150 0.000 2.342 230 W HA -0.103 4.557 4.660 0.001 0.000 0.297 230 W C 1.281 177.796 176.519 -0.007 0.000 1.213 230 W CA 1.921 59.303 57.345 0.063 0.000 1.251 230 W CB -0.233 29.326 29.460 0.165 0.000 1.136 230 W HN 0.687 nan 8.180 nan 0.000 0.526 231 G N -0.217 108.614 108.800 0.051 0.000 2.498 231 G HA2 -0.205 3.756 3.960 0.002 0.000 0.219 231 G HA3 -0.205 3.756 3.960 0.002 0.000 0.219 231 G C 1.304 176.091 174.900 -0.187 0.000 1.119 231 G CA 1.460 46.497 45.100 -0.105 0.000 0.766 231 G HN 0.281 nan 8.290 nan 0.000 0.552 232 T N 0.878 115.336 114.554 -0.160 0.000 2.953 232 T HA 0.121 4.472 4.350 0.002 0.000 0.247 232 T C 2.379 176.900 174.700 -0.297 0.000 1.029 232 T CA 0.076 62.050 62.100 -0.210 0.000 1.144 232 T CB 0.039 68.827 68.868 -0.133 0.000 0.870 232 T HN 0.038 nan 8.240 nan 0.000 0.446 233 I N 1.472 121.855 120.570 -0.311 0.000 2.127 233 I HA -0.193 3.978 4.170 0.002 0.000 0.241 233 I C 2.431 178.274 176.117 -0.456 0.000 1.075 233 I CA 1.971 63.033 61.300 -0.397 0.000 1.334 233 I CB -1.056 36.482 38.000 -0.769 0.000 1.040 233 I HN 0.337 nan 8.210 nan 0.000 0.405 234 H N 1.705 120.223 119.070 -0.921 0.000 2.307 234 H HA -0.033 4.523 4.556 0.001 0.000 0.303 234 H C -0.815 174.156 175.328 -0.594 0.000 1.073 234 H CA 1.512 56.953 56.048 -1.011 0.000 1.338 234 H CB -1.329 27.255 29.762 -1.963 0.000 1.389 234 H HN 0.083 nan 8.280 nan 0.000 0.503 235 P HA -0.105 nan 4.420 nan 0.000 0.216 235 P C 1.379 178.380 177.300 -0.497 0.000 1.150 235 P CA 2.188 64.931 63.100 -0.595 0.000 0.837 235 P CB -0.073 31.385 31.700 -0.403 0.000 0.786 236 T N -1.102 113.163 114.554 -0.481 0.000 2.833 236 T HA -0.155 4.195 4.350 0.002 0.000 0.269 236 T C 1.849 176.270 174.700 -0.466 0.000 1.054 236 T CA 2.059 63.817 62.100 -0.570 0.000 1.135 236 T CB -1.251 67.095 68.868 -0.870 0.000 0.869 236 T HN 0.336 nan 8.240 nan 0.000 0.466 237 T N 0.719 115.123 114.554 -0.249 0.000 2.881 237 T HA -0.033 4.318 4.350 0.002 0.000 0.270 237 T C 1.819 176.339 174.700 -0.299 0.000 1.068 237 T CA 0.556 62.636 62.100 -0.033 0.000 1.131 237 T CB -0.364 68.533 68.868 0.048 0.000 0.871 237 T HN 0.192 nan 8.240 nan 0.000 0.479 238 I N 1.228 121.506 120.570 -0.487 0.000 2.480 238 I HA 0.090 4.261 4.170 0.002 0.000 0.251 238 I C 2.649 178.632 176.117 -0.224 0.000 1.124 238 I CA 0.597 61.560 61.300 -0.560 0.000 1.444 238 I CB -1.162 36.385 38.000 -0.755 0.000 1.098 238 I HN 0.304 nan 8.210 nan 0.000 0.428 239 S N 1.088 116.664 115.700 -0.207 0.000 2.388 239 S HA 0.062 4.533 4.470 0.002 0.000 0.223 239 S C 2.280 176.868 174.600 -0.019 0.000 1.034 239 S CA 0.930 59.074 58.200 -0.094 0.000 0.963 239 S CB -0.100 63.013 63.200 -0.144 0.000 0.827 239 S HN 0.457 nan 8.310 nan 0.000 0.481 240 A N 2.890 125.679 122.820 -0.050 0.000 1.892 240 A HA -0.104 4.217 4.320 0.002 0.000 0.218 240 A C 0.053 177.689 177.584 0.087 0.000 1.188 240 A CA 1.829 53.912 52.037 0.077 0.000 0.631 240 A CB -1.844 17.233 19.000 0.129 0.000 0.822 240 A HN 0.455 nan 8.150 nan 0.000 0.447 241 P HA -0.103 nan 4.420 nan 0.000 0.218 241 P C 1.488 178.891 177.300 0.171 0.000 1.149 241 P CA 1.013 64.190 63.100 0.129 0.000 0.817 241 P CB -0.200 31.628 31.700 0.214 0.000 0.785 242 I N -0.702 119.978 120.570 0.183 0.000 2.252 242 I HA -0.168 4.003 4.170 0.002 0.000 0.245 242 I C 2.498 178.667 176.117 0.086 0.000 1.102 242 I CA 1.042 62.425 61.300 0.138 0.000 1.385 242 I CB -0.818 37.252 38.000 0.116 0.000 1.064 242 I HN -0.209 nan 8.210 nan 0.000 0.414 243 V N 1.216 121.190 119.914 0.100 0.000 2.332 243 V HA -0.177 3.944 4.120 0.002 0.000 0.248 243 V C 1.748 177.939 176.094 0.162 0.000 1.055 243 V CA 1.582 63.962 62.300 0.133 0.000 1.038 243 V CB -1.570 30.398 31.823 0.242 0.000 0.651 243 V HN 0.534 nan 8.190 nan 0.000 0.450 247 Y N 1.271 121.452 120.300 -0.198 0.000 2.165 247 Y HA -0.068 4.483 4.550 0.002 0.000 0.286 247 Y C 2.727 178.518 175.900 -0.182 0.000 1.155 247 Y CA 2.332 60.334 58.100 -0.162 0.000 1.164 247 Y CB -0.345 37.994 38.460 -0.203 0.000 0.978 247 Y HN 0.419 nan 8.280 nan 0.000 0.513 248 G N -0.827 107.823 108.800 -0.249 0.000 2.402 248 G HA2 -0.211 3.749 3.960 0.002 0.000 0.216 248 G HA3 -0.211 3.749 3.960 0.002 0.000 0.216 248 G C 1.888 176.458 174.900 -0.550 0.000 1.162 248 G CA 0.893 45.729 45.100 -0.441 0.000 0.777 248 G HN 0.478 nan 8.290 nan 0.000 0.539 249 A N 0.059 122.378 122.820 -0.834 0.000 1.877 249 A HA -0.047 4.274 4.320 0.002 0.000 0.216 249 A C 2.196 179.779 177.584 -0.002 0.000 1.186 249 A CA 1.724 53.589 52.037 -0.288 0.000 0.620 249 A CB -0.743 18.157 19.000 -0.166 0.000 0.822 249 A HN 0.464 nan 8.150 nan 0.000 0.443 250 Y N 1.201 121.433 120.300 -0.114 0.000 2.097 250 Y HA -0.257 4.294 4.550 0.002 0.000 0.282 250 Y C 1.970 177.902 175.900 0.052 0.000 1.152 250 Y CA 2.251 60.336 58.100 -0.025 0.000 1.136 250 Y CB -0.244 38.153 38.460 -0.105 0.000 0.975 250 Y HN 0.354 nan 8.280 nan 0.000 0.498 251 D N 0.077 120.540 120.400 0.105 0.000 2.117 251 D HA -0.185 4.456 4.640 0.002 0.000 0.197 251 D C 2.276 178.584 176.300 0.013 0.000 0.987 251 D CA 1.494 55.526 54.000 0.054 0.000 0.829 251 D CB -0.655 40.216 40.800 0.119 0.000 0.961 251 D HN 0.498 nan 8.370 nan 0.000 0.460 252 A N 0.355 123.220 122.820 0.076 0.000 1.877 252 A HA -0.238 4.083 4.320 0.002 0.000 0.216 252 A C 2.078 179.722 177.584 0.100 0.000 1.186 252 A CA 2.051 54.162 52.037 0.123 0.000 0.620 252 A CB -0.965 18.173 19.000 0.229 0.000 0.822 252 A HN 0.340 nan 8.150 nan 0.000 0.443 253 H N -0.300 118.759 119.070 -0.018 0.000 2.290 253 H HA -0.099 4.458 4.556 0.001 0.000 0.298 253 H C 1.828 177.104 175.328 -0.088 0.000 1.087 253 H CA 2.238 58.263 56.048 -0.038 0.000 1.291 253 H CB -0.295 29.420 29.762 -0.079 0.000 1.369 253 H HN 0.111 nan 8.280 nan 0.000 0.492 254 V N 0.789 120.544 119.914 -0.265 0.000 2.427 254 V HA -0.209 3.912 4.120 0.002 0.000 0.248 254 V C 2.452 178.432 176.094 -0.189 0.000 1.051 254 V CA 2.134 64.243 62.300 -0.319 0.000 1.048 254 V CB -0.527 31.056 31.823 -0.401 0.000 0.666 254 V HN 0.574 nan 8.190 nan 0.000 0.456 255 E N -0.084 120.055 120.200 -0.101 0.000 2.051 255 E HA -0.316 4.035 4.350 0.002 0.000 0.192 255 E C 2.215 178.792 176.600 -0.039 0.000 0.991 255 E CA 1.942 58.316 56.400 -0.043 0.000 0.799 255 E CB -0.185 29.522 29.700 0.011 0.000 0.748 255 E HN 0.794 nan 8.360 nan 0.000 0.449 256 H N -0.074 118.928 119.070 -0.113 0.000 2.326 256 H HA -0.055 4.502 4.556 0.001 0.000 0.301 256 H C 2.175 177.416 175.328 -0.146 0.000 1.081 256 H CA 1.989 57.976 56.048 -0.101 0.000 1.334 256 H CB 0.168 29.888 29.762 -0.070 0.000 1.385 256 H HN 0.109 nan 8.280 nan 0.000 0.504 257 Q N -0.191 119.474 119.800 -0.225 0.000 2.119 257 Q HA -0.035 4.306 4.340 0.002 0.000 0.201 257 Q C 2.619 178.490 176.000 -0.216 0.000 0.972 257 Q CA 1.105 56.741 55.803 -0.277 0.000 0.847 257 Q CB -0.803 27.682 28.738 -0.421 0.000 0.903 257 Q HN 0.655 nan 8.270 nan 0.000 0.433 258 G N 1.681 110.371 108.800 -0.184 0.000 2.446 258 G HA2 -0.290 3.671 3.960 0.002 0.000 0.217 258 G HA3 -0.290 3.671 3.960 0.002 0.000 0.217 258 G C 1.516 176.342 174.900 -0.123 0.000 1.168 258 G CA 0.930 45.954 45.100 -0.127 0.000 0.771 258 G HN 0.308 nan 8.290 nan 0.000 0.551 259 K N -0.184 120.127 120.400 -0.148 0.000 2.063 259 K HA -0.072 4.248 4.320 0.002 0.000 0.208 259 K C 2.606 179.110 176.600 -0.159 0.000 1.048 259 K CA 1.103 57.304 56.287 -0.144 0.000 0.928 259 K CB -0.164 32.240 32.500 -0.160 0.000 0.713 259 K HN 0.172 nan 8.250 nan 0.000 0.442 260 R N 1.033 121.399 120.500 -0.223 0.000 2.096 260 R HA -0.061 4.280 4.340 0.002 0.000 0.235 260 R C 0.856 177.086 176.300 -0.117 0.000 1.127 260 R CA 0.678 56.663 56.100 -0.191 0.000 0.968 260 R CB 0.004 30.160 30.300 -0.240 0.000 0.861 260 R HN -0.059 nan 8.270 nan 0.000 0.440 273 D N 1.033 121.441 120.400 0.012 0.000 2.462 273 D HA 0.318 4.959 4.640 0.002 0.000 0.249 273 D C -1.239 175.058 176.300 -0.005 0.000 1.117 273 D CA -2.032 51.998 54.000 0.051 0.000 0.900 273 D CB 2.252 43.098 40.800 0.078 0.000 1.039 273 D HN 0.168 nan 8.370 nan 0.000 0.516 274 P HA -0.068 nan 4.420 nan 0.000 0.223 274 P C 1.343 178.486 177.300 -0.261 0.000 1.151 274 P CA 0.475 63.427 63.100 -0.246 0.000 0.787 274 P CB 0.118 31.571 31.700 -0.411 0.000 0.788 275 F N 1.316 121.270 119.950 0.007 0.000 2.186 275 F HA -0.022 4.506 4.527 0.002 0.000 0.299 275 F C 2.725 178.536 175.800 0.019 0.000 1.090 275 F CA 1.207 59.212 58.000 0.009 0.000 1.307 275 F CB -1.576 37.425 39.000 0.002 0.000 1.019 275 F HN -0.069 nan 8.300 nan 0.000 0.489 276 A N 0.242 123.175 122.820 0.188 0.000 1.933 276 A HA -0.205 4.116 4.320 0.002 0.000 0.218 276 A C 2.211 179.860 177.584 0.108 0.000 1.175 276 A CA 1.655 53.776 52.037 0.139 0.000 0.628 276 A CB -0.612 18.453 19.000 0.109 0.000 0.814 276 A HN 0.351 nan 8.150 nan 0.000 0.444 277 K N -0.491 119.944 120.400 0.058 0.000 2.057 277 K HA -0.051 4.270 4.320 0.002 0.000 0.206 277 K C 1.836 178.464 176.600 0.047 0.000 1.050 277 K CA 1.347 57.657 56.287 0.038 0.000 0.935 277 K CB -0.373 32.125 32.500 -0.004 0.000 0.715 277 K HN 0.291 nan 8.250 nan 0.000 0.439 278 V N 1.762 121.696 119.914 0.033 0.000 2.343 278 V HA -0.232 3.889 4.120 0.002 0.000 0.247 278 V C 2.295 178.432 176.094 0.073 0.000 1.051 278 V CA 1.578 63.902 62.300 0.041 0.000 1.036 278 V CB -0.443 31.401 31.823 0.035 0.000 0.654 278 V HN 0.272 nan 8.190 nan 0.000 0.451 279 R N -0.276 120.281 120.500 0.096 0.000 2.081 279 R HA -0.035 4.306 4.340 0.002 0.000 0.235 279 R C 2.169 178.528 176.300 0.100 0.000 1.131 279 R CA 1.459 57.610 56.100 0.085 0.000 0.960 279 R CB -0.834 29.510 30.300 0.073 0.000 0.856 279 R HN 0.453 nan 8.270 nan 0.000 0.436 280 I N 0.823 121.476 120.570 0.138 0.000 2.208 280 I HA -0.283 3.888 4.170 0.002 0.000 0.245 280 I C 2.506 178.754 176.117 0.219 0.000 1.097 280 I CA 1.395 62.830 61.300 0.225 0.000 1.363 280 I CB -0.358 37.760 38.000 0.196 0.000 1.051 280 I HN 0.113 nan 8.210 nan 0.000 0.413 281 A N 0.365 123.258 122.820 0.121 0.000 1.858 281 A HA -0.240 4.081 4.320 0.002 0.000 0.216 281 A C 2.192 179.796 177.584 0.034 0.000 1.190 281 A CA 1.785 53.863 52.037 0.068 0.000 0.617 281 A CB -0.646 18.378 19.000 0.041 0.000 0.827 281 A HN 0.430 nan 8.150 nan 0.000 0.443 282 E N -0.264 119.959 120.200 0.038 0.000 2.038 282 E HA -0.156 4.195 4.350 0.002 0.000 0.195 282 E C 2.361 178.959 176.600 -0.003 0.000 1.000 282 E CA 1.143 57.553 56.400 0.017 0.000 0.803 282 E CB -0.330 29.388 29.700 0.030 0.000 0.750 282 E HN 0.609 nan 8.360 nan 0.000 0.448 283 A N 1.383 124.218 122.820 0.024 0.000 1.877 283 A HA -0.223 4.098 4.320 0.002 0.000 0.216 283 A C 2.372 179.878 177.584 -0.129 0.000 1.186 283 A CA 2.140 54.176 52.037 -0.001 0.000 0.620 283 A CB -0.778 18.277 19.000 0.092 0.000 0.822 283 A HN 0.346 nan 8.150 nan 0.000 0.443 284 S N -0.628 114.959 115.700 -0.188 0.000 2.368 284 S HA -0.170 4.301 4.470 0.002 0.000 0.225 284 S C 2.171 176.593 174.600 -0.296 0.000 1.030 284 S CA 1.744 59.641 58.200 -0.505 0.000 0.999 284 S CB -0.871 61.987 63.200 -0.570 0.000 0.844 284 S HN 0.554 nan 8.310 nan 0.000 0.459 285 S N 1.851 117.460 115.700 -0.151 0.000 2.356 285 S HA -0.156 4.315 4.470 0.002 0.000 0.223 285 S C 1.526 176.069 174.600 -0.095 0.000 1.032 285 S CA 1.595 59.736 58.200 -0.098 0.000 1.005 285 S CB -0.867 62.301 63.200 -0.052 0.000 0.867 285 S HN 0.576 nan 8.310 nan 0.000 0.449 286 D N 1.001 121.345 120.400 -0.094 0.000 2.183 286 D HA 0.035 4.675 4.640 0.002 0.000 0.203 286 D C 1.870 178.112 176.300 -0.098 0.000 0.969 286 D CA 0.800 54.756 54.000 -0.074 0.000 0.842 286 D CB -0.344 40.425 40.800 -0.052 0.000 0.957 286 D HN 0.463 nan 8.370 nan 0.000 0.484 287 I N 0.803 121.263 120.570 -0.183 0.000 2.179 287 I HA -0.260 3.911 4.170 0.002 0.000 0.242 287 I C 2.134 178.152 176.117 -0.166 0.000 1.088 287 I CA 1.254 62.392 61.300 -0.269 0.000 1.357 287 I CB -0.160 37.498 38.000 -0.570 0.000 1.051 287 I HN -0.094 nan 8.210 nan 0.000 0.409 288 D N 0.901 121.209 120.400 -0.155 0.000 2.117 288 D HA -0.192 4.449 4.640 0.002 0.000 0.197 288 D C 2.177 178.528 176.300 0.086 0.000 0.987 288 D CA 1.526 55.543 54.000 0.029 0.000 0.829 288 D CB 0.068 40.861 40.800 -0.012 0.000 0.961 288 D HN 0.305 nan 8.370 nan 0.000 0.460 289 A N 0.552 123.379 122.820 0.011 0.000 1.877 289 A HA -0.007 4.314 4.320 0.002 0.000 0.216 289 A C 2.411 180.002 177.584 0.012 0.000 1.186 289 A CA 2.277 54.315 52.037 0.002 0.000 0.620 289 A CB -1.240 17.746 19.000 -0.025 0.000 0.822 289 A HN 0.349 nan 8.150 nan 0.000 0.443 290 A N -1.152 121.684 122.820 0.027 0.000 1.873 290 A HA -0.242 4.079 4.320 0.002 0.000 0.218 290 A C 2.182 179.827 177.584 0.101 0.000 1.193 290 A CA 1.553 53.614 52.037 0.042 0.000 0.629 290 A CB -1.091 17.939 19.000 0.049 0.000 0.826 290 A HN 0.872 nan 8.150 nan 0.000 0.447 291 W N 0.627 121.932 121.300 0.009 0.000 2.358 291 W HA -0.181 4.479 4.660 0.001 0.000 0.303 291 W C 2.357 178.877 176.519 0.002 0.000 1.208 291 W CA 1.691 59.060 57.345 0.039 0.000 1.274 291 W CB -0.241 29.314 29.460 0.157 0.000 1.138 291 W HN 0.340 nan 8.180 nan 0.000 0.515 292 R N 0.058 120.534 120.500 -0.040 0.000 2.083 292 R HA -0.228 4.112 4.340 0.002 0.000 0.237 292 R C 2.406 178.566 176.300 -0.233 0.000 1.137 292 R CA 2.235 58.242 56.100 -0.154 0.000 0.951 292 R CB -0.674 29.606 30.300 -0.034 0.000 0.851 292 R HN 0.385 nan 8.270 nan 0.000 0.434 293 Q N 0.121 119.816 119.800 -0.175 0.000 2.049 293 Q HA -0.130 4.211 4.340 0.002 0.000 0.198 293 Q C 2.209 178.055 176.000 -0.256 0.000 0.971 293 Q CA 0.948 56.643 55.803 -0.181 0.000 0.833 293 Q CB -0.140 28.519 28.738 -0.132 0.000 0.896 293 Q HN 0.170 nan 8.270 nan 0.000 0.434 294 L N 1.014 122.058 121.223 -0.297 0.000 1.989 294 L HA -0.223 4.118 4.340 0.002 0.000 0.211 294 L C 2.476 179.029 176.870 -0.528 0.000 1.071 294 L CA 2.312 56.928 54.840 -0.373 0.000 0.749 294 L CB -0.610 41.260 42.059 -0.315 0.000 0.890 294 L HN 0.247 nan 8.230 nan 0.000 0.431 295 S N -1.513 113.694 115.700 -0.822 0.000 2.387 295 S HA -0.030 4.440 4.470 0.002 0.000 0.226 295 S C 2.105 176.460 174.600 -0.408 0.000 1.026 295 S CA 0.573 58.300 58.200 -0.788 0.000 0.972 295 S CB -1.346 61.067 63.200 -1.311 0.000 0.814 295 S HN 0.462 nan 8.310 nan 0.000 0.477 296 G N 2.141 110.733 108.800 -0.347 0.000 2.421 296 G HA2 -0.211 3.750 3.960 0.002 0.000 0.216 296 G HA3 -0.211 3.750 3.960 0.002 0.000 0.216 296 G C 1.376 176.192 174.900 -0.141 0.000 1.171 296 G CA 0.953 45.938 45.100 -0.192 0.000 0.775 296 G HN 0.670 nan 8.290 nan 0.000 0.543 297 N N -0.067 118.534 118.700 -0.165 0.000 2.120 297 N HA -0.087 4.654 4.740 0.002 0.000 0.188 297 N C 2.176 177.628 175.510 -0.096 0.000 1.024 297 N CA 1.054 54.029 53.050 -0.124 0.000 0.852 297 N CB -0.112 38.289 38.487 -0.144 0.000 1.003 297 N HN 0.174 nan 8.380 nan 0.000 0.424 298 V N 1.355 121.191 119.914 -0.132 0.000 2.287 298 V HA -0.255 3.866 4.120 0.002 0.000 0.248 298 V C 2.376 178.481 176.094 0.018 0.000 1.053 298 V CA 1.985 64.247 62.300 -0.062 0.000 1.027 298 V CB -0.951 30.826 31.823 -0.076 0.000 0.646 298 V HN 0.375 nan 8.190 nan 0.000 0.447 299 A N -0.100 122.717 122.820 -0.005 0.000 1.908 299 A HA -0.264 4.057 4.320 0.002 0.000 0.218 299 A C 1.980 179.618 177.584 0.091 0.000 1.181 299 A CA 2.147 54.227 52.037 0.071 0.000 0.627 299 A CB -0.642 18.380 19.000 0.036 0.000 0.818 299 A HN 0.549 nan 8.150 nan 0.000 0.445 300 D N -0.303 120.116 120.400 0.032 0.000 2.117 300 D HA -0.106 4.535 4.640 0.002 0.000 0.198 300 D C 1.979 178.306 176.300 0.045 0.000 0.982 300 D CA 1.392 55.408 54.000 0.026 0.000 0.828 300 D CB -0.406 40.392 40.800 -0.003 0.000 0.967 300 D HN 0.650 nan 8.370 nan 0.000 0.464 301 E N -0.428 119.805 120.200 0.055 0.000 2.051 301 E HA -0.211 4.140 4.350 0.002 0.000 0.192 301 E C 1.986 178.661 176.600 0.125 0.000 0.991 301 E CA 0.727 57.172 56.400 0.076 0.000 0.799 301 E CB -0.218 29.525 29.700 0.072 0.000 0.748 301 E HN 0.316 nan 8.360 nan 0.000 0.449 302 Y N 1.232 121.543 120.300 0.019 0.000 2.224 302 Y HA -0.177 4.374 4.550 0.002 0.000 0.289 302 Y C 2.206 178.122 175.900 0.027 0.000 1.146 302 Y CA 1.122 59.239 58.100 0.028 0.000 1.182 302 Y CB -0.446 38.029 38.460 0.026 0.000 0.983 302 Y HN -0.008 nan 8.280 nan 0.000 0.524 303 A N 0.080 122.906 122.820 0.009 0.000 1.933 303 A HA -0.170 4.151 4.320 0.002 0.000 0.218 303 A C 2.316 179.848 177.584 -0.087 0.000 1.175 303 A CA 1.853 53.850 52.037 -0.066 0.000 0.628 303 A CB -1.105 17.898 19.000 0.004 0.000 0.814 303 A HN 0.534 nan 8.150 nan 0.000 0.444 304 L N -0.722 120.477 121.223 -0.039 0.000 2.027 304 L HA -0.173 4.168 4.340 0.002 0.000 0.206 304 L C 2.581 179.421 176.870 -0.050 0.000 1.074 304 L CA 1.108 55.931 54.840 -0.027 0.000 0.745 304 L CB -0.549 41.514 42.059 0.007 0.000 0.898 304 L HN 0.373 nan 8.230 nan 0.000 0.433 305 L N -0.995 120.190 121.223 -0.064 0.000 2.042 305 L HA -0.217 4.124 4.340 0.002 0.000 0.210 305 L C 2.521 179.305 176.870 -0.142 0.000 1.076 305 L CA 0.937 55.734 54.840 -0.070 0.000 0.749 305 L CB -0.635 41.406 42.059 -0.029 0.000 0.893 305 L HN 0.075 nan 8.230 nan 0.000 0.432 306 V N 0.140 119.885 119.914 -0.281 0.000 2.490 306 V HA -0.240 3.881 4.120 0.002 0.000 0.250 306 V C 2.399 178.415 176.094 -0.130 0.000 1.061 306 V CA 1.688 63.827 62.300 -0.268 0.000 1.064 306 V CB -0.784 30.803 31.823 -0.393 0.000 0.670 306 V HN 0.494 nan 8.190 nan 0.000 0.461 307 A N -0.574 122.186 122.820 -0.100 0.000 2.259 307 A HA 0.408 4.729 4.320 0.002 0.000 0.208 307 A C 1.923 179.486 177.584 -0.034 0.000 1.201 307 A CA 0.888 52.893 52.037 -0.054 0.000 0.824 307 A CB -0.654 18.322 19.000 -0.041 0.000 0.838 307 A HN 1.165 nan 8.150 nan 0.000 0.485 308 G N -0.711 108.067 108.800 -0.036 0.000 2.148 308 G HA2 -0.240 3.721 3.960 0.002 0.000 0.254 308 G HA3 -0.240 3.721 3.960 0.002 0.000 0.254 308 G C -0.096 174.803 174.900 -0.003 0.000 0.981 308 G CA 0.473 45.563 45.100 -0.015 0.000 0.670 308 G HN 0.639 nan 8.290 nan 0.000 0.528 309 E N 0.051 120.249 120.200 -0.003 0.000 2.250 309 E HA 0.457 4.808 4.350 0.002 0.000 0.269 309 E C 0.250 176.865 176.600 0.025 0.000 1.018 309 E CA -0.709 55.697 56.400 0.010 0.000 0.873 309 E CB 1.267 30.971 29.700 0.007 0.000 1.134 309 E HN 0.406 nan 8.360 nan 0.000 0.403 310 E N 1.092 121.313 120.200 0.035 0.000 2.366 310 E HA 0.102 4.453 4.350 0.002 0.000 0.266 310 E C -0.871 175.765 176.600 0.060 0.000 1.051 310 E CA -0.478 55.954 56.400 0.054 0.000 0.884 310 E CB 0.949 30.682 29.700 0.055 0.000 1.006 310 E HN 0.122 nan 8.360 nan 0.000 0.417 311 V N 6.150 126.111 119.914 0.078 0.000 2.470 311 V HA 0.147 4.268 4.120 0.002 0.000 0.276 311 V C -2.025 174.125 176.094 0.094 0.000 1.040 311 V CA -1.335 61.012 62.300 0.078 0.000 1.008 311 V CB 0.557 32.433 31.823 0.088 0.000 0.990 311 V HN 0.724 nan 8.190 nan 0.000 0.477 312 P HA 0.078 nan 4.420 nan 0.000 0.268 312 P C 0.526 177.910 177.300 0.141 0.000 1.205 312 P CA -0.215 62.948 63.100 0.106 0.000 0.771 312 P CB 0.423 32.165 31.700 0.070 0.000 0.858 313 F N 3.439 123.400 119.950 0.019 0.000 2.154 313 F HA -0.256 4.272 4.527 0.001 0.000 0.301 313 F C 1.977 177.785 175.800 0.013 0.000 1.087 313 F CA 2.076 60.085 58.000 0.016 0.000 1.274 313 F CB -0.394 38.611 39.000 0.009 0.000 1.009 313 F HN 0.408 nan 8.300 nan 0.000 0.485 314 E N -0.015 120.221 120.200 0.059 0.000 2.160 314 E HA -0.243 4.108 4.350 0.002 0.000 0.195 314 E C 1.909 178.476 176.600 -0.054 0.000 0.991 314 E CA 1.701 58.086 56.400 -0.026 0.000 0.810 314 E CB -1.151 28.560 29.700 0.019 0.000 0.742 314 E HN 0.417 nan 8.360 nan 0.000 0.466 315 L N 0.677 121.879 121.223 -0.036 0.000 2.072 315 L HA 0.068 4.409 4.340 0.002 0.000 0.205 315 L C 2.236 179.054 176.870 -0.087 0.000 1.079 315 L CA 1.674 56.491 54.840 -0.038 0.000 0.752 315 L CB -0.436 41.617 42.059 -0.011 0.000 0.906 315 L HN -0.017 nan 8.230 nan 0.000 0.436 316 R N -0.793 119.623 120.500 -0.140 0.000 2.105 316 R HA -0.148 4.193 4.340 0.002 0.000 0.239 316 R C 2.250 178.398 176.300 -0.253 0.000 1.135 316 R CA 1.798 57.778 56.100 -0.199 0.000 0.967 316 R CB -0.521 29.637 30.300 -0.237 0.000 0.861 316 R HN 0.379 nan 8.270 nan 0.000 0.442 317 L N -0.048 120.980 121.223 -0.326 0.000 2.056 317 L HA -0.151 4.190 4.340 0.002 0.000 0.207 317 L C 2.562 179.451 176.870 0.033 0.000 1.078 317 L CA 1.360 56.094 54.840 -0.177 0.000 0.749 317 L CB -0.347 41.593 42.059 -0.198 0.000 0.901 317 L HN 0.142 nan 8.230 nan 0.000 0.433 318 R N -0.106 120.417 120.500 0.037 0.000 2.096 318 R HA -0.135 4.206 4.340 0.002 0.000 0.235 318 R C 2.430 178.670 176.300 -0.100 0.000 1.127 318 R CA 1.250 57.341 56.100 -0.016 0.000 0.968 318 R CB -0.481 29.814 30.300 -0.009 0.000 0.861 318 R HN 0.362 nan 8.270 nan 0.000 0.440 319 A N 1.356 124.113 122.820 -0.105 0.000 1.883 319 A HA -0.173 4.148 4.320 0.002 0.000 0.217 319 A C 2.105 179.599 177.584 -0.150 0.000 1.186 319 A CA 1.184 53.139 52.037 -0.138 0.000 0.624 319 A CB -0.333 18.584 19.000 -0.139 0.000 0.822 319 A HN 0.115 nan 8.150 nan 0.000 0.444 320 R N -0.676 119.743 120.500 -0.136 0.000 2.081 320 R HA -0.116 4.225 4.340 0.002 0.000 0.235 320 R C 2.413 178.645 176.300 -0.112 0.000 1.131 320 R CA 1.455 57.474 56.100 -0.135 0.000 0.960 320 R CB -0.739 29.488 30.300 -0.121 0.000 0.856 320 R HN 0.693 nan 8.270 nan 0.000 0.436 321 R N 0.962 121.413 120.500 -0.080 0.000 2.094 321 R HA -0.174 4.167 4.340 0.002 0.000 0.239 321 R C 1.153 177.434 176.300 -0.032 0.000 1.137 321 R CA 2.222 58.290 56.100 -0.053 0.000 0.943 321 R CB -0.166 29.931 30.300 -0.338 0.000 0.850 321 R HN 0.121 nan 8.270 nan 0.000 0.433 322 D N -0.127 120.204 120.400 -0.114 0.000 2.234 322 D HA -0.144 4.497 4.640 0.002 0.000 0.205 322 D C 1.879 178.116 176.300 -0.105 0.000 0.962 322 D CA 0.591 54.527 54.000 -0.107 0.000 0.855 322 D CB -0.157 40.559 40.800 -0.140 0.000 0.951 322 D HN 0.365 nan 8.370 nan 0.000 0.500 323 Q N 1.414 121.131 119.800 -0.139 0.000 2.016 323 Q HA -0.116 4.225 4.340 0.002 0.000 0.200 323 Q C 2.305 178.219 176.000 -0.143 0.000 0.978 323 Q CA 1.618 57.321 55.803 -0.167 0.000 0.833 323 Q CB -0.156 28.451 28.738 -0.218 0.000 0.895 323 Q HN 0.266 nan 8.270 nan 0.000 0.427 324 V N -0.686 119.135 119.914 -0.156 0.000 2.392 324 V HA -0.201 3.920 4.120 0.002 0.000 0.249 324 V C 2.549 178.585 176.094 -0.096 0.000 1.059 324 V CA 2.221 64.415 62.300 -0.177 0.000 1.051 324 V CB -0.911 30.716 31.823 -0.326 0.000 0.658 324 V HN 0.248 nan 8.190 nan 0.000 0.455 325 R N 0.554 121.051 120.500 -0.006 0.000 2.115 325 R HA 0.058 4.399 4.340 0.002 0.000 0.230 325 R C 2.377 178.680 176.300 0.004 0.000 1.111 325 R CA 1.382 57.526 56.100 0.074 0.000 0.976 325 R CB -0.608 29.761 30.300 0.115 0.000 0.870 325 R HN 0.627 nan 8.270 nan 0.000 0.445 326 A N -0.264 122.538 122.820 -0.031 0.000 1.902 326 A HA -0.152 4.169 4.320 0.002 0.000 0.217 326 A C 2.112 179.685 177.584 -0.018 0.000 1.181 326 A CA 2.042 54.063 52.037 -0.026 0.000 0.623 326 A CB -0.924 18.050 19.000 -0.043 0.000 0.818 326 A HN 0.388 nan 8.150 nan 0.000 0.443 327 T N -0.240 114.292 114.554 -0.036 0.000 2.684 327 T HA -0.081 4.269 4.350 0.002 0.000 0.267 327 T C 1.954 176.631 174.700 -0.037 0.000 1.036 327 T CA 1.636 63.715 62.100 -0.034 0.000 1.148 327 T CB -0.669 68.171 68.868 -0.046 0.000 0.863 327 T HN 0.606 nan 8.240 nan 0.000 0.436 328 G N 1.277 110.061 108.800 -0.027 0.000 2.418 328 G HA2 -0.202 3.759 3.960 0.002 0.000 0.217 328 G HA3 -0.202 3.759 3.960 0.002 0.000 0.217 328 G C 1.718 176.613 174.900 -0.009 0.000 1.158 328 G CA 0.357 45.449 45.100 -0.013 0.000 0.771 328 G HN 0.420 nan 8.290 nan 0.000 0.545 329 R N 0.531 121.026 120.500 -0.007 0.000 2.081 329 R HA 0.013 4.353 4.340 0.002 0.000 0.235 329 R C 3.035 179.319 176.300 -0.026 0.000 1.131 329 R CA 1.138 57.230 56.100 -0.014 0.000 0.960 329 R CB -0.416 29.872 30.300 -0.020 0.000 0.856 329 R HN 0.350 nan 8.270 nan 0.000 0.436 330 A N 1.414 124.216 122.820 -0.030 0.000 1.877 330 A HA -0.159 4.162 4.320 0.002 0.000 0.216 330 A C 2.182 179.743 177.584 -0.037 0.000 1.186 330 A CA 1.327 53.340 52.037 -0.040 0.000 0.620 330 A CB -0.516 18.472 19.000 -0.020 0.000 0.822 330 A HN 0.181 nan 8.150 nan 0.000 0.443 331 I N -0.846 119.689 120.570 -0.059 0.000 2.226 331 I HA -0.208 3.963 4.170 0.002 0.000 0.245 331 I C 2.820 178.943 176.117 0.010 0.000 1.100 331 I CA 1.465 62.704 61.300 -0.102 0.000 1.374 331 I CB -0.290 37.568 38.000 -0.236 0.000 1.057 331 I HN 0.399 nan 8.210 nan 0.000 0.413 332 S N 0.154 115.867 115.700 0.022 0.000 2.370 332 S HA -0.189 4.282 4.470 0.002 0.000 0.226 332 S C 2.225 176.866 174.600 0.067 0.000 1.033 332 S CA 2.103 60.340 58.200 0.062 0.000 1.011 332 S CB -0.141 63.083 63.200 0.039 0.000 0.852 332 S HN 0.411 nan 8.310 nan 0.000 0.457 333 S N 1.122 116.841 115.700 0.032 0.000 2.368 333 S HA 0.080 4.551 4.470 0.002 0.000 0.224 333 S C 1.762 176.394 174.600 0.053 0.000 1.029 333 S CA 1.275 59.487 58.200 0.022 0.000 0.988 333 S CB -0.399 62.782 63.200 -0.031 0.000 0.838 333 S HN 0.527 nan 8.310 nan 0.000 0.462 334 I N 1.875 122.491 120.570 0.077 0.000 2.226 334 I HA -0.209 3.962 4.170 0.002 0.000 0.245 334 I C 1.996 178.255 176.117 0.236 0.000 1.100 334 I CA 1.141 62.527 61.300 0.145 0.000 1.374 334 I CB -0.460 37.648 38.000 0.181 0.000 1.057 334 I HN 0.154 nan 8.210 nan 0.000 0.413 335 D N 1.135 121.712 120.400 0.295 0.000 2.123 335 D HA -0.177 4.463 4.640 0.002 0.000 0.196 335 D C 2.178 178.583 176.300 0.175 0.000 0.992 335 D CA 1.270 55.481 54.000 0.353 0.000 0.833 335 D CB -0.187 40.837 40.800 0.374 0.000 0.954 335 D HN 0.283 nan 8.370 nan 0.000 0.455 336 K N 0.044 120.505 120.400 0.101 0.000 2.032 336 K HA -0.095 4.226 4.320 0.002 0.000 0.209 336 K C 2.299 178.869 176.600 -0.050 0.000 1.048 336 K CA 0.775 57.080 56.287 0.029 0.000 0.927 336 K CB -0.191 32.325 32.500 0.027 0.000 0.712 336 K HN 0.159 nan 8.250 nan 0.000 0.441 337 L N -0.312 120.854 121.223 -0.094 0.000 2.056 337 L HA -0.146 4.194 4.340 0.002 0.000 0.207 337 L C 2.387 179.103 176.870 -0.257 0.000 1.078 337 L CA 0.864 55.483 54.840 -0.368 0.000 0.749 337 L CB -0.468 41.362 42.059 -0.381 0.000 0.901 337 L HN 0.092 nan 8.230 nan 0.000 0.433 338 F N 1.178 120.990 119.950 -0.230 0.000 2.102 338 F HA -0.246 4.281 4.527 0.001 0.000 0.298 338 F C 2.568 178.212 175.800 -0.261 0.000 1.105 338 F CA 1.994 59.830 58.000 -0.274 0.000 1.239 338 F CB -0.284 38.427 39.000 -0.483 0.000 0.991 338 F HN 0.125 nan 8.300 nan 0.000 0.474 339 E N -0.767 119.248 120.200 -0.309 0.000 2.051 339 E HA -0.244 4.107 4.350 0.002 0.000 0.192 339 E C 2.409 178.859 176.600 -0.250 0.000 0.991 339 E CA 1.449 57.648 56.400 -0.334 0.000 0.799 339 E CB -0.456 29.160 29.700 -0.139 0.000 0.748 339 E HN 0.394 nan 8.360 nan 0.000 0.449 340 S N -0.337 115.272 115.700 -0.151 0.000 2.382 340 S HA -0.164 4.307 4.470 0.002 0.000 0.228 340 S C 2.090 176.688 174.600 -0.003 0.000 1.027 340 S CA 1.564 59.733 58.200 -0.051 0.000 0.991 340 S CB -0.390 62.813 63.200 0.005 0.000 0.823 340 S HN 0.332 nan 8.310 nan 0.000 0.469 341 S N -0.296 115.406 115.700 0.003 0.000 2.382 341 S HA 0.160 4.630 4.470 0.002 0.000 0.228 341 S C 1.332 175.881 174.600 -0.084 0.000 1.027 341 S CA 1.704 59.946 58.200 0.069 0.000 0.991 341 S CB -1.241 62.025 63.200 0.110 0.000 0.823 341 S HN 1.177 nan 8.310 nan 0.000 0.469 342 G N 0.410 109.061 108.800 -0.248 0.000 2.528 342 G HA2 -0.231 3.730 3.960 0.002 0.000 0.262 342 G HA3 -0.231 3.730 3.960 0.002 0.000 0.262 342 G C 0.978 175.739 174.900 -0.231 0.000 1.200 342 G CA 0.359 45.310 45.100 -0.249 0.000 0.951 342 G HN 1.253 nan 8.290 nan 0.000 0.566 343 A N -1.775 120.960 122.820 -0.141 0.000 1.908 343 A HA 0.037 4.358 4.320 0.002 0.000 0.218 343 A C 2.640 180.177 177.584 -0.078 0.000 1.181 343 A CA 3.603 55.576 52.037 -0.105 0.000 0.627 343 A CB -1.171 17.790 19.000 -0.065 0.000 0.818 343 A HN 2.029 nan 8.150 nan 0.000 0.445 344 T N -0.666 113.856 114.554 -0.053 0.000 2.849 344 T HA -0.009 4.342 4.350 0.002 0.000 0.270 344 T C 1.709 176.371 174.700 -0.063 0.000 1.066 344 T CA 1.770 63.850 62.100 -0.034 0.000 1.130 344 T CB -0.403 68.482 68.868 0.028 0.000 0.864 344 T HN 0.553 nan 8.240 nan 0.000 0.481 345 A N 0.333 123.108 122.820 -0.075 0.000 2.206 345 A HA 0.319 4.640 4.320 0.002 0.000 0.211 345 A C 2.105 179.750 177.584 0.102 0.000 1.158 345 A CA 0.356 52.395 52.037 0.003 0.000 0.761 345 A CB -0.426 18.572 19.000 -0.003 0.000 0.801 345 A HN 0.592 nan 8.150 nan 0.000 0.473 346 L N -0.527 120.708 121.223 0.019 0.000 2.376 346 L HA 0.039 4.380 4.340 0.002 0.000 0.219 346 L C 1.540 178.449 176.870 0.065 0.000 1.133 346 L CA 0.117 54.999 54.840 0.071 0.000 0.816 346 L CB -0.621 41.443 42.059 0.009 0.000 0.933 346 L HN 0.399 nan 8.230 nan 0.000 0.449 347 A N 1.147 123.987 122.820 0.033 0.000 2.524 347 A HA 0.076 4.397 4.320 0.002 0.000 0.250 347 A C 0.229 177.828 177.584 0.026 0.000 1.078 347 A CA -0.274 51.774 52.037 0.019 0.000 0.761 347 A CB -0.205 18.795 19.000 -0.000 0.000 1.012 347 A HN 0.259 nan 8.150 nan 0.000 0.500 348 N N 1.012 119.726 118.700 0.023 0.000 2.407 348 N HA 0.269 5.010 4.740 0.002 0.000 0.250 348 N C 1.345 176.858 175.510 0.005 0.000 1.236 348 N CA 1.630 54.690 53.050 0.017 0.000 0.879 348 N CB 0.711 39.206 38.487 0.013 0.000 1.088 348 N HN 1.237 nan 8.380 nan 0.000 0.450 349 G N -0.209 108.588 108.800 -0.004 0.000 2.199 349 G HA2 -0.285 3.676 3.960 0.002 0.000 0.254 349 G HA3 -0.285 3.676 3.960 0.002 0.000 0.254 349 G C 0.248 175.134 174.900 -0.023 0.000 0.982 349 G CA 0.707 45.798 45.100 -0.014 0.000 0.632 349 G HN 0.884 nan 8.290 nan 0.000 0.529 350 T N -1.542 113.001 114.554 -0.018 0.000 2.928 350 T HA 0.664 5.015 4.350 0.002 0.000 0.284 350 T C -0.965 173.715 174.700 -0.032 0.000 1.008 350 T CA -1.067 61.020 62.100 -0.022 0.000 1.057 350 T CB 2.609 71.463 68.868 -0.023 0.000 1.018 350 T HN -0.069 nan 8.240 nan 0.000 0.493 351 P HA -0.015 nan 4.420 nan 0.000 0.216 351 P C 1.633 178.947 177.300 0.024 0.000 1.153 351 P CA 0.167 63.217 63.100 -0.084 0.000 0.848 351 P CB -0.003 31.725 31.700 0.047 0.000 0.787 352 L N 0.630 121.955 121.223 0.169 0.000 2.027 352 L HA -0.205 4.136 4.340 0.002 0.000 0.206 352 L C 2.271 179.263 176.870 0.204 0.000 1.074 352 L CA 2.119 57.137 54.840 0.296 0.000 0.745 352 L CB -1.637 40.588 42.059 0.276 0.000 0.898 352 L HN -0.065 nan 8.230 nan 0.000 0.433 353 Q N -0.785 119.083 119.800 0.114 0.000 2.170 353 Q HA -0.231 4.110 4.340 0.002 0.000 0.203 353 Q C 2.256 178.294 176.000 0.062 0.000 0.976 353 Q CA 1.897 57.691 55.803 -0.015 0.000 0.858 353 Q CB -0.754 28.036 28.738 0.087 0.000 0.907 353 Q HN 0.493 nan 8.270 nan 0.000 0.433 354 R N -0.513 119.985 120.500 -0.004 0.000 2.066 354 R HA -0.083 4.258 4.340 0.002 0.000 0.232 354 R C 1.645 177.915 176.300 -0.050 0.000 1.131 354 R CA 1.461 57.508 56.100 -0.088 0.000 0.955 354 R CB -0.247 29.918 30.300 -0.225 0.000 0.851 354 R HN 0.332 nan 8.270 nan 0.000 0.432 355 F N -0.569 119.419 119.950 0.062 0.000 2.161 355 F HA -0.213 4.315 4.527 0.002 0.000 0.300 355 F C 2.118 177.968 175.800 0.082 0.000 1.089 355 F CA 1.239 59.279 58.000 0.066 0.000 1.282 355 F CB -0.864 38.186 39.000 0.084 0.000 1.010 355 F HN 0.244 nan 8.300 nan 0.000 0.485 356 W N 1.498 122.829 121.300 0.052 0.000 2.354 356 W HA -0.178 4.483 4.660 0.001 0.000 0.315 356 W C 2.535 179.061 176.519 0.012 0.000 1.206 356 W CA 1.891 59.202 57.345 -0.057 0.000 1.290 356 W CB -0.524 28.650 29.460 -0.477 0.000 1.152 356 W HN -0.161 nan 8.180 nan 0.000 0.489 357 R N -0.090 120.330 120.500 -0.134 0.000 2.092 357 R HA -0.148 4.193 4.340 0.002 0.000 0.231 357 R C 1.793 177.985 176.300 -0.181 0.000 1.119 357 R CA 1.684 57.594 56.100 -0.316 0.000 0.970 357 R CB -0.692 29.492 30.300 -0.193 0.000 0.864 357 R HN 0.142 nan 8.270 nan 0.000 0.440 358 D N 0.618 120.971 120.400 -0.079 0.000 2.117 358 D HA -0.120 4.521 4.640 0.002 0.000 0.197 358 D C 1.807 178.052 176.300 -0.093 0.000 0.987 358 D CA 1.552 55.512 54.000 -0.067 0.000 0.829 358 D CB -0.238 40.568 40.800 0.010 0.000 0.961 358 D HN 0.235 nan 8.370 nan 0.000 0.460 359 A N 0.578 123.367 122.820 -0.052 0.000 1.898 359 A HA -0.190 4.131 4.320 0.002 0.000 0.216 359 A C 1.933 179.376 177.584 -0.235 0.000 1.181 359 A CA 1.210 53.181 52.037 -0.109 0.000 0.620 359 A CB -0.747 18.197 19.000 -0.094 0.000 0.819 359 A HN 0.323 nan 8.150 nan 0.000 0.442 360 H N -0.596 118.334 119.070 -0.234 0.000 2.423 360 H HA 0.007 4.565 4.556 0.002 0.000 0.297 360 H C 2.487 177.694 175.328 -0.202 0.000 1.075 360 H CA 1.253 57.146 56.048 -0.258 0.000 1.342 360 H CB -0.143 29.350 29.762 -0.448 0.000 1.395 360 H HN 0.550 nan 8.280 nan 0.000 0.530 361 A N 0.633 123.384 122.820 -0.116 0.000 1.897 361 A HA -0.047 4.274 4.320 0.002 0.000 0.215 361 A C 2.805 180.286 177.584 -0.171 0.000 1.181 361 A CA 1.350 53.318 52.037 -0.116 0.000 0.620 361 A CB -0.991 17.933 19.000 -0.126 0.000 0.821 361 A HN 0.432 nan 8.150 nan 0.000 0.443 362 G N -0.357 108.263 108.800 -0.301 0.000 2.432 362 G HA2 -0.251 3.710 3.960 0.002 0.000 0.219 362 G HA3 -0.251 3.710 3.960 0.002 0.000 0.219 362 G C 1.626 176.519 174.900 -0.012 0.000 1.135 362 G CA 1.198 46.064 45.100 -0.390 0.000 0.767 362 G HN 0.515 nan 8.290 nan 0.000 0.550 363 R N 1.045 121.514 120.500 -0.051 0.000 2.159 363 R HA -0.100 4.241 4.340 0.002 0.000 0.237 363 R C 2.517 178.822 176.300 0.009 0.000 1.131 363 R CA 1.817 57.901 56.100 -0.026 0.000 0.982 363 R CB -0.893 29.353 30.300 -0.090 0.000 0.868 363 R HN 0.463 nan 8.270 nan 0.000 0.453 364 V N -1.356 118.559 119.914 0.001 0.000 3.141 364 V HA -0.004 4.117 4.120 0.002 0.000 0.265 364 V C 1.186 177.255 176.094 -0.043 0.000 1.126 364 V CA 0.608 62.887 62.300 -0.034 0.000 1.141 364 V CB -1.048 30.731 31.823 -0.074 0.000 0.743 364 V HN 0.305 nan 8.190 nan 0.000 0.492 365 H N 0.857 119.914 119.070 -0.022 0.000 3.001 365 H HA 0.257 4.814 4.556 0.002 0.000 0.334 365 H C 1.552 176.853 175.328 -0.045 0.000 1.034 365 H CA 0.641 56.693 56.048 0.006 0.000 1.420 365 H CB 1.761 31.633 29.762 0.182 0.000 1.405 365 H HN 0.348 nan 8.280 nan 0.000 0.593 366 A N 5.063 127.771 122.820 -0.187 0.000 1.958 366 A HA -0.247 4.074 4.320 0.002 0.000 0.221 366 A C 2.402 180.027 177.584 0.067 0.000 1.178 366 A CA 2.027 54.024 52.037 -0.066 0.000 0.642 366 A CB -0.881 18.046 19.000 -0.122 0.000 0.816 366 A HN 0.809 nan 8.150 nan 0.000 0.453 367 A N -0.810 122.193 122.820 0.305 0.000 2.168 367 A HA -0.077 4.244 4.320 0.002 0.000 0.215 367 A C 1.633 179.184 177.584 -0.057 0.000 1.152 367 A CA 1.348 53.413 52.037 0.048 0.000 0.716 367 A CB -0.646 18.263 19.000 -0.151 0.000 0.794 367 A HN 0.733 nan 8.150 nan 0.000 0.465 368 N N -0.307 118.394 118.700 0.003 0.000 2.299 368 N HA -0.007 4.734 4.740 0.002 0.000 0.187 368 N C -0.012 175.438 175.510 -0.102 0.000 1.099 368 N CA -0.165 52.850 53.050 -0.059 0.000 0.867 368 N CB 0.239 38.724 38.487 -0.003 0.000 0.974 368 N HN 0.396 nan 8.380 nan 0.000 0.477 369 D N 2.050 122.394 120.400 -0.092 0.000 2.451 369 D HA -0.028 4.613 4.640 0.002 0.000 0.254 369 D C -1.535 174.633 176.300 -0.220 0.000 1.204 369 D CA -1.261 52.667 54.000 -0.121 0.000 0.896 369 D CB 1.276 42.020 40.800 -0.093 0.000 1.136 369 D HN 0.186 nan 8.370 nan 0.000 0.499 370 P HA -0.057 nan 4.420 nan 0.000 0.217 370 P C 0.860 177.722 177.300 -0.730 0.000 1.154 370 P CA 0.801 63.520 63.100 -0.634 0.000 0.841 370 P CB 0.431 31.811 31.700 -0.533 0.000 0.790 371 E N 0.019 120.039 120.200 -0.301 0.000 2.153 371 E HA -0.156 4.195 4.350 0.002 0.000 0.194 371 E C 2.296 178.845 176.600 -0.084 0.000 0.988 371 E CA 0.830 57.172 56.400 -0.096 0.000 0.811 371 E CB -0.637 29.070 29.700 0.011 0.000 0.746 371 E HN 0.164 nan 8.360 nan 0.000 0.466 372 R N 0.452 120.879 120.500 -0.123 0.000 2.080 372 R HA -0.173 4.168 4.340 0.002 0.000 0.236 372 R C 2.124 178.379 176.300 -0.075 0.000 1.137 372 R CA 1.690 57.742 56.100 -0.080 0.000 0.943 372 R CB -0.278 29.969 30.300 -0.088 0.000 0.846 372 R HN 0.244 nan 8.270 nan 0.000 0.431 373 A N -0.237 122.489 122.820 -0.157 0.000 1.929 373 A HA -0.120 4.201 4.320 0.002 0.000 0.216 373 A C 1.886 179.500 177.584 0.050 0.000 1.176 373 A CA 0.939 52.912 52.037 -0.106 0.000 0.628 373 A CB -0.602 18.278 19.000 -0.200 0.000 0.816 373 A HN 0.430 nan 8.150 nan 0.000 0.444 374 Y N 0.160 120.453 120.300 -0.012 0.000 2.163 374 Y HA -0.021 4.529 4.550 0.001 0.000 0.288 374 Y C 1.722 177.650 175.900 0.046 0.000 1.136 374 Y CA -0.178 57.928 58.100 0.009 0.000 1.147 374 Y CB -1.377 37.074 38.460 -0.016 0.000 0.987 374 Y HN 0.015 nan 8.280 nan 0.000 0.509 378 G N 0.331 109.048 108.800 -0.138 0.000 2.422 378 G HA2 -0.160 3.801 3.960 0.002 0.000 0.218 378 G HA3 -0.160 3.801 3.960 0.002 0.000 0.218 378 G C 1.369 175.927 174.900 -0.570 0.000 1.146 378 G CA 1.758 46.604 45.100 -0.425 0.000 0.769 378 G HN 0.432 nan 8.290 nan 0.000 0.547 379 T N 1.047 115.467 114.554 -0.222 0.000 2.684 379 T HA -0.082 4.269 4.350 0.002 0.000 0.267 379 T C 2.502 177.144 174.700 -0.097 0.000 1.036 379 T CA 1.541 63.602 62.100 -0.065 0.000 1.148 379 T CB -0.621 68.262 68.868 0.025 0.000 0.863 379 T HN 0.357 nan 8.240 nan 0.000 0.436 380 G N 1.485 110.188 108.800 -0.162 0.000 2.418 380 G HA2 -0.207 3.754 3.960 0.002 0.000 0.217 380 G HA3 -0.207 3.754 3.960 0.002 0.000 0.217 380 G C 1.542 176.306 174.900 -0.227 0.000 1.158 380 G CA 0.533 45.551 45.100 -0.137 0.000 0.771 380 G HN 0.370 nan 8.290 nan 0.000 0.545 381 E N 0.328 120.242 120.200 -0.477 0.000 2.204 381 E HA -0.068 4.283 4.350 0.002 0.000 0.195 381 E C 1.849 178.364 176.600 -0.143 0.000 0.990 381 E CA 0.582 56.726 56.400 -0.426 0.000 0.821 381 E CB -0.262 29.058 29.700 -0.633 0.000 0.750 381 E HN 0.507 nan 8.360 nan 0.000 0.477 382 F N -0.155 119.746 119.950 -0.082 0.000 2.797 382 F HA 0.256 4.784 4.527 0.002 0.000 0.302 382 F C 1.675 177.458 175.800 -0.028 0.000 1.130 382 F CA 0.334 58.309 58.000 -0.042 0.000 1.387 382 F CB -0.383 38.600 39.000 -0.029 0.000 1.107 382 F HN 0.021 nan 8.300 nan 0.000 0.577 383 G N 1.168 110.041 108.800 0.121 0.000 2.198 383 G HA2 -0.311 3.649 3.960 0.002 0.000 0.260 383 G HA3 -0.311 3.649 3.960 0.002 0.000 0.260 383 G C 0.105 175.050 174.900 0.075 0.000 1.025 383 G CA 0.074 45.220 45.100 0.076 0.000 0.769 383 G HN 0.322 nan 8.290 nan 0.000 0.507 384 L N 0.917 122.199 121.223 0.098 0.000 2.379 384 L HA 0.529 4.869 4.340 0.002 0.000 0.269 384 L C -1.250 175.654 176.870 0.057 0.000 1.084 384 L CA -2.326 52.562 54.840 0.081 0.000 0.802 384 L CB 0.922 43.050 42.059 0.116 0.000 1.175 384 L HN -0.045 nan 8.230 nan 0.000 0.448 385 P HA 0.198 nan 4.420 nan 0.000 0.269 385 P C -0.938 176.386 177.300 0.039 0.000 1.209 385 P CA 0.146 63.257 63.100 0.019 0.000 0.776 385 P CB 0.785 32.488 31.700 0.006 0.000 0.876 386 I N 1.847 122.441 120.570 0.039 0.000 2.436 386 I HA 0.188 4.359 4.170 0.002 0.000 0.289 386 I C 1.359 177.506 176.117 0.050 0.000 1.010 386 I CA -0.253 61.095 61.300 0.080 0.000 1.098 386 I CB 2.101 40.220 38.000 0.198 0.000 1.266 386 I HN 0.385 nan 8.210 nan 0.000 0.434 387 T N -0.653 113.927 114.554 0.044 0.000 2.990 387 T HA 0.070 4.421 4.350 0.002 0.000 0.249 387 T C 0.612 175.330 174.700 0.029 0.000 1.039 387 T CA -0.200 61.916 62.100 0.025 0.000 1.036 387 T CB 0.018 68.893 68.868 0.012 0.000 0.994 387 T HN 0.436 nan 8.240 nan 0.000 0.489 388 D N 3.978 124.401 120.400 0.039 0.000 2.487 388 D HA 0.079 4.720 4.640 0.002 0.000 0.243 388 D C 0.704 177.032 176.300 0.047 0.000 1.154 388 D CA 0.524 54.539 54.000 0.025 0.000 0.876 388 D CB 1.192 42.007 40.800 0.025 0.000 1.161 388 D HN 0.548 nan 8.370 nan 0.000 0.478 391 V N 0.000 119.921 119.914 0.012 0.000 2.409 391 V HA 0.000 4.121 4.120 0.002 0.000 0.244 391 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 391 V CB 0.000 31.802 31.823 -0.034 0.000 1.184 391 V HN 0.000 nan 8.190 nan 0.000 0.556