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 1h6u_1_A DATA FIRST_RESID 36 DATA SEQUENCE GSITQPTAIN VIFPDPALAN AIKIAAGKSN VTDTVTQADL DGITTLSAFG DATA SEQUENCE TGVTTIEGVQ YLNNLIGLEL KDNQITDLAP LKNLTKITEL ELSGNPLKNV DATA SEQUENCE SAIAGLQSIK TLDLTSTQIT DVTPLAGLSN LQVLYLDLNQ ITNISPLAGL DATA SEQUENCE TNLQYLSIGN AQVSDLTPLA NLSKLTTLKA DDNKISDISP LASLPNLIEV DATA SEQUENCE HLKNNQISDV SPLANTSNLF IVTLTNQTIT NQPVFYNNNL VVPNVVKGPS DATA SEQUENCE GAPIAPATIS DNGTYASPNL TWNLTSFINN VSYTFNQSVT FKNTTVPFSG DATA SEQUENCE TVTQPLTE 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 36 G HA2 0.000 nan 3.960 nan 0.000 0.244 36 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 36 G C 0.000 175.059 174.900 0.265 0.000 0.946 36 G CA 0.000 45.187 45.100 0.145 0.000 0.502 37 S N -1.326 114.504 115.700 0.217 0.000 2.618 37 S HA 0.602 5.072 4.470 -0.001 0.000 0.277 37 S C -0.790 173.801 174.600 -0.016 0.000 1.138 37 S CA -0.710 57.606 58.200 0.194 0.000 0.844 37 S CB 1.353 64.617 63.200 0.107 0.000 1.127 37 S HN 0.684 nan 8.310 nan 0.000 0.474 38 I N 4.163 124.652 120.570 -0.135 0.000 2.471 38 I HA 0.118 4.288 4.170 -0.001 0.000 0.294 38 I C 1.738 177.802 176.117 -0.089 0.000 1.123 38 I CA 0.525 61.696 61.300 -0.214 0.000 1.336 38 I CB -0.624 37.244 38.000 -0.219 0.000 1.430 38 I HN 0.746 nan 8.210 nan 0.000 0.533 39 T N 5.551 120.059 114.554 -0.076 0.000 2.720 39 T HA -0.131 4.219 4.350 -0.001 0.000 0.268 39 T C 0.943 175.622 174.700 -0.034 0.000 1.037 39 T CA 1.362 63.437 62.100 -0.040 0.000 1.144 39 T CB 0.025 68.870 68.868 -0.038 0.000 0.864 39 T HN 0.740 nan 8.240 nan 0.000 0.444 40 Q N 0.419 120.192 119.800 -0.045 0.000 2.495 40 Q HA 0.442 4.781 4.340 -0.001 0.000 0.287 40 Q C -3.420 172.557 176.000 -0.038 0.000 1.078 40 Q CA -2.697 53.086 55.803 -0.033 0.000 0.793 40 Q CB 1.213 29.934 28.738 -0.029 0.000 1.459 40 Q HN -0.047 nan 8.270 nan 0.000 0.422 41 P HA 0.089 nan 4.420 nan 0.000 0.262 41 P C -1.000 176.284 177.300 -0.027 0.000 1.182 41 P CA 0.637 63.725 63.100 -0.019 0.000 0.761 41 P CB 0.454 32.148 31.700 -0.010 0.000 0.795 42 T N 1.719 116.255 114.554 -0.029 0.000 2.909 42 T HA 0.587 4.936 4.350 -0.001 0.000 0.299 42 T C -0.375 174.321 174.700 -0.007 0.000 1.073 42 T CA -0.506 61.574 62.100 -0.033 0.000 0.999 42 T CB 1.599 70.423 68.868 -0.073 0.000 1.098 42 T HN 0.343 nan 8.240 nan 0.000 0.477 43 A N 2.304 125.124 122.820 -0.000 0.000 2.540 43 A HA 0.291 4.611 4.320 -0.001 0.000 0.239 43 A C 1.586 179.202 177.584 0.053 0.000 1.061 43 A CA -0.086 51.964 52.037 0.021 0.000 0.758 43 A CB -0.496 18.514 19.000 0.017 0.000 0.991 43 A HN 0.952 nan 8.150 nan 0.000 0.502 44 I N 1.520 122.140 120.570 0.083 0.000 2.151 44 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 44 I C 2.176 178.422 176.117 0.215 0.000 1.080 44 I CA 1.995 63.398 61.300 0.171 0.000 1.339 44 I CB -0.298 37.765 38.000 0.105 0.000 1.039 44 I HN 0.934 nan 8.210 nan 0.000 0.409 45 N N 0.518 119.291 118.700 0.121 0.000 2.461 45 N HA -0.048 4.692 4.740 -0.001 0.000 0.188 45 N C 1.223 176.777 175.510 0.073 0.000 1.134 45 N CA 0.557 53.675 53.050 0.114 0.000 0.878 45 N CB -0.153 38.377 38.487 0.072 0.000 0.972 45 N HN 0.210 nan 8.380 nan 0.000 0.456 46 V N 0.559 120.500 119.914 0.045 0.000 2.599 46 V HA 0.083 4.203 4.120 -0.001 0.000 0.245 46 V C 2.193 178.260 176.094 -0.045 0.000 1.046 46 V CA 0.678 62.977 62.300 -0.001 0.000 1.065 46 V CB -0.194 31.619 31.823 -0.018 0.000 0.703 46 V HN 0.164 nan 8.190 nan 0.000 0.464 47 I N -1.255 119.275 120.570 -0.067 0.000 2.406 47 I HA -0.042 4.127 4.170 -0.001 0.000 0.249 47 I C 0.342 176.207 176.117 -0.418 0.000 1.122 47 I CA 1.283 62.419 61.300 -0.273 0.000 1.431 47 I CB 0.063 37.853 38.000 -0.349 0.000 1.087 47 I HN 0.164 nan 8.210 nan 0.000 0.424 48 F N 2.193 122.156 119.950 0.022 0.000 2.359 48 F HA 0.315 4.841 4.527 -0.001 0.000 0.370 48 F C -1.512 174.299 175.800 0.018 0.000 1.077 48 F CA -2.241 55.777 58.000 0.030 0.000 1.136 48 F CB 0.555 39.572 39.000 0.027 0.000 1.387 48 F HN -0.152 nan 8.300 nan 0.000 0.468 49 P HA -0.160 nan 4.420 nan 0.000 0.223 49 P C 0.230 177.579 177.300 0.081 0.000 1.151 49 P CA 0.850 63.996 63.100 0.077 0.000 0.787 49 P CB 0.309 32.032 31.700 0.038 0.000 0.788 50 D N 0.989 121.451 120.400 0.104 0.000 2.382 50 D HA 0.024 4.664 4.640 -0.001 0.000 0.259 50 D C -1.453 174.887 176.300 0.067 0.000 1.224 50 D CA -1.552 52.494 54.000 0.076 0.000 0.894 50 D CB 1.427 42.275 40.800 0.080 0.000 1.127 50 D HN 0.022 nan 8.370 nan 0.000 0.487 51 P HA -0.078 nan 4.420 nan 0.000 0.218 51 P C 0.874 178.181 177.300 0.011 0.000 1.149 51 P CA 0.844 63.960 63.100 0.027 0.000 0.817 51 P CB 0.260 31.970 31.700 0.016 0.000 0.785 52 A N -0.704 122.118 122.820 0.004 0.000 1.897 52 A HA -0.126 4.193 4.320 -0.001 0.000 0.215 52 A C 2.106 179.676 177.584 -0.023 0.000 1.181 52 A CA 1.166 53.196 52.037 -0.012 0.000 0.620 52 A CB -1.591 17.399 19.000 -0.017 0.000 0.821 52 A HN 0.121 nan 8.150 nan 0.000 0.443 53 L N -0.204 121.012 121.223 -0.011 0.000 2.083 53 L HA -0.056 4.284 4.340 -0.001 0.000 0.209 53 L C 2.736 179.531 176.870 -0.126 0.000 1.083 53 L CA 1.891 56.705 54.840 -0.044 0.000 0.752 53 L CB -0.651 41.423 42.059 0.024 0.000 0.899 53 L HN 0.363 nan 8.230 nan 0.000 0.433 54 A N -0.501 122.290 122.820 -0.047 0.000 1.908 54 A HA -0.280 4.039 4.320 -0.001 0.000 0.218 54 A C 2.102 179.630 177.584 -0.093 0.000 1.181 54 A CA 2.260 54.261 52.037 -0.061 0.000 0.627 54 A CB -0.987 18.047 19.000 0.058 0.000 0.818 54 A HN 0.639 nan 8.150 nan 0.000 0.445 55 N N -0.126 118.540 118.700 -0.057 0.000 2.309 55 N HA 0.008 4.747 4.740 -0.001 0.000 0.182 55 N C 1.761 177.225 175.510 -0.077 0.000 1.018 55 N CA 1.028 54.047 53.050 -0.052 0.000 0.876 55 N CB -0.214 38.254 38.487 -0.030 0.000 0.972 55 N HN 0.513 nan 8.380 nan 0.000 0.434 56 A N 0.733 123.492 122.820 -0.101 0.000 1.929 56 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 56 A C 1.957 179.448 177.584 -0.154 0.000 1.176 56 A CA 0.787 52.760 52.037 -0.107 0.000 0.628 56 A CB -0.256 18.685 19.000 -0.098 0.000 0.816 56 A HN 0.134 nan 8.150 nan 0.000 0.444 57 I N 0.147 120.563 120.570 -0.257 0.000 2.286 57 I HA -0.188 3.981 4.170 -0.001 0.000 0.245 57 I C 2.395 178.411 176.117 -0.169 0.000 1.104 57 I CA 1.714 62.821 61.300 -0.322 0.000 1.397 57 I CB -0.992 36.587 38.000 -0.702 0.000 1.072 57 I HN 0.473 nan 8.210 nan 0.000 0.417 58 K N 1.533 121.858 120.400 -0.124 0.000 2.044 58 K HA -0.204 4.116 4.320 -0.001 0.000 0.210 58 K C 2.146 178.716 176.600 -0.051 0.000 1.049 58 K CA 1.659 57.908 56.287 -0.063 0.000 0.927 58 K CB -0.123 32.351 32.500 -0.042 0.000 0.713 58 K HN 0.224 nan 8.250 nan 0.000 0.443 59 I N 0.926 121.462 120.570 -0.055 0.000 2.202 59 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 59 I C 2.532 178.625 176.117 -0.040 0.000 1.091 59 I CA 1.122 62.398 61.300 -0.040 0.000 1.368 59 I CB -0.343 37.635 38.000 -0.037 0.000 1.058 59 I HN 0.265 nan 8.210 nan 0.000 0.410 60 A N 0.579 123.366 122.820 -0.056 0.000 1.972 60 A HA -0.085 4.235 4.320 -0.001 0.000 0.219 60 A C 2.370 179.933 177.584 -0.034 0.000 1.169 60 A CA 1.751 53.760 52.037 -0.047 0.000 0.635 60 A CB -0.601 18.360 19.000 -0.064 0.000 0.810 60 A HN 0.441 nan 8.150 nan 0.000 0.446 61 A N -1.918 120.880 122.820 -0.037 0.000 2.218 61 A HA 0.418 4.738 4.320 -0.001 0.000 0.209 61 A C 1.754 179.332 177.584 -0.011 0.000 1.168 61 A CA 1.161 53.188 52.037 -0.017 0.000 0.804 61 A CB -0.791 18.202 19.000 -0.012 0.000 0.834 61 A HN 1.873 nan 8.150 nan 0.000 0.482 62 G N -0.437 108.354 108.800 -0.016 0.000 2.160 62 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.244 62 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.244 62 G C 0.048 174.943 174.900 -0.008 0.000 1.022 62 G CA 0.472 45.566 45.100 -0.011 0.000 0.741 62 G HN 0.398 nan 8.290 nan 0.000 0.508 63 K N 0.060 120.454 120.400 -0.010 0.000 2.106 63 K HA 0.669 4.989 4.320 -0.001 0.000 0.246 63 K C 1.493 178.088 176.600 -0.008 0.000 0.987 63 K CA -0.009 56.275 56.287 -0.006 0.000 0.904 63 K CB 1.390 33.888 32.500 -0.004 0.000 1.071 63 K HN 0.409 nan 8.250 nan 0.000 0.453 64 S N -0.711 114.986 115.700 -0.005 0.000 2.511 64 S HA 0.090 4.560 4.470 -0.001 0.000 0.214 64 S C 0.415 175.013 174.600 -0.005 0.000 0.997 64 S CA -0.121 58.076 58.200 -0.005 0.000 0.908 64 S CB 0.069 63.267 63.200 -0.004 0.000 0.803 64 S HN 0.566 nan 8.310 nan 0.000 0.504 65 N N 0.857 119.555 118.700 -0.003 0.000 2.324 65 N HA 0.210 4.949 4.740 -0.001 0.000 0.285 65 N C 0.619 176.130 175.510 0.002 0.000 1.076 65 N CA -0.186 52.864 53.050 -0.001 0.000 0.864 65 N CB 2.322 40.809 38.487 0.001 0.000 1.632 65 N HN 0.026 nan 8.380 nan 0.000 0.478 66 V N 0.555 120.471 119.914 0.003 0.000 3.026 66 V HA -0.093 4.027 4.120 -0.001 0.000 0.265 66 V C 1.713 177.821 176.094 0.023 0.000 1.121 66 V CA 2.181 64.488 62.300 0.012 0.000 1.142 66 V CB -1.550 30.281 31.823 0.014 0.000 0.730 66 V HN 0.812 nan 8.190 nan 0.000 0.503 67 T N -3.391 111.173 114.554 0.016 0.000 3.081 67 T HA 0.056 4.406 4.350 -0.001 0.000 0.255 67 T C 0.498 175.207 174.700 0.015 0.000 1.113 67 T CA 0.090 62.200 62.100 0.016 0.000 1.082 67 T CB -0.545 68.329 68.868 0.010 0.000 0.939 67 T HN 0.471 nan 8.240 nan 0.000 0.506 68 D N 3.694 124.102 120.400 0.013 0.000 2.443 68 D HA 0.184 4.823 4.640 -0.001 0.000 0.239 68 D C 0.714 177.024 176.300 0.017 0.000 1.136 68 D CA 0.435 54.442 54.000 0.011 0.000 0.879 68 D CB 1.095 41.900 40.800 0.008 0.000 1.195 68 D HN 0.502 nan 8.370 nan 0.000 0.443 69 T N -1.697 112.864 114.554 0.012 0.000 2.899 69 T HA 0.506 4.856 4.350 -0.001 0.000 0.295 69 T C 0.319 175.030 174.700 0.018 0.000 1.033 69 T CA -0.839 61.269 62.100 0.012 0.000 1.084 69 T CB 0.907 69.777 68.868 0.003 0.000 0.979 69 T HN 0.203 nan 8.240 nan 0.000 0.532 70 V N -0.546 119.382 119.914 0.023 0.000 3.001 70 V HA 0.895 5.015 4.120 -0.001 0.000 0.314 70 V C 0.238 176.342 176.094 0.016 0.000 1.099 70 V CA -0.892 61.425 62.300 0.029 0.000 0.989 70 V CB 1.407 33.265 31.823 0.058 0.000 1.040 70 V HN 1.268 nan 8.190 nan 0.000 0.434 71 T N -0.878 113.687 114.554 0.018 0.000 2.923 71 T HA 0.418 4.768 4.350 -0.001 0.000 0.281 71 T C 0.708 175.421 174.700 0.022 0.000 0.995 71 T CA 0.014 62.120 62.100 0.009 0.000 0.985 71 T CB 1.664 70.538 68.868 0.010 0.000 1.114 71 T HN 0.725 nan 8.240 nan 0.000 0.548 72 Q N 0.561 120.370 119.800 0.016 0.000 2.124 72 Q HA 0.014 4.354 4.340 -0.001 0.000 0.202 72 Q C 2.335 178.364 176.000 0.048 0.000 0.977 72 Q CA 2.206 58.033 55.803 0.040 0.000 0.850 72 Q CB -1.174 27.587 28.738 0.039 0.000 0.901 72 Q HN 0.891 nan 8.270 nan 0.000 0.429 73 A N 0.557 123.397 122.820 0.034 0.000 1.883 73 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 73 A C 1.844 179.449 177.584 0.036 0.000 1.186 73 A CA 1.926 53.981 52.037 0.031 0.000 0.624 73 A CB -0.853 18.160 19.000 0.022 0.000 0.822 73 A HN 0.459 nan 8.150 nan 0.000 0.444 74 D N 0.105 120.526 120.400 0.036 0.000 2.092 74 D HA -0.142 4.497 4.640 -0.001 0.000 0.193 74 D C 2.014 178.347 176.300 0.055 0.000 0.994 74 D CA 1.360 55.383 54.000 0.038 0.000 0.828 74 D CB -0.444 40.379 40.800 0.038 0.000 0.963 74 D HN 0.467 nan 8.370 nan 0.000 0.450 75 L N 0.847 122.118 121.223 0.080 0.000 2.046 75 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 75 L C 1.800 178.727 176.870 0.095 0.000 1.077 75 L CA 1.018 55.928 54.840 0.117 0.000 0.747 75 L CB -0.388 41.773 42.059 0.170 0.000 0.896 75 L HN -0.093 nan 8.230 nan 0.000 0.432 76 D N 0.178 120.624 120.400 0.077 0.000 2.351 76 D HA -0.095 4.544 4.640 -0.001 0.000 0.216 76 D C 1.941 178.266 176.300 0.043 0.000 0.968 76 D CA 1.088 55.123 54.000 0.059 0.000 0.899 76 D CB -0.090 40.739 40.800 0.049 0.000 0.907 76 D HN 0.354 nan 8.370 nan 0.000 0.514 77 G N -0.239 108.584 108.800 0.039 0.000 3.042 77 G HA2 0.088 4.047 3.960 -0.001 0.000 0.212 77 G HA3 0.088 4.047 3.960 -0.001 0.000 0.212 77 G C 0.669 175.583 174.900 0.023 0.000 1.166 77 G CA -0.289 44.826 45.100 0.026 0.000 0.767 77 G HN 0.202 nan 8.290 nan 0.000 0.546 78 I N 2.403 122.992 120.570 0.031 0.000 2.322 78 I HA 0.132 4.302 4.170 -0.001 0.000 0.292 78 I C 1.588 177.718 176.117 0.022 0.000 1.060 78 I CA -0.116 61.196 61.300 0.021 0.000 1.309 78 I CB 1.593 39.607 38.000 0.022 0.000 1.415 78 I HN 0.093 nan 8.210 nan 0.000 0.492 79 T N -0.140 114.421 114.554 0.012 0.000 3.015 79 T HA 0.092 4.441 4.350 -0.001 0.000 0.250 79 T C 0.688 175.392 174.700 0.007 0.000 1.057 79 T CA 0.128 62.235 62.100 0.011 0.000 1.066 79 T CB 0.158 69.031 68.868 0.008 0.000 0.959 79 T HN 0.606 nan 8.240 nan 0.000 0.488 80 T N 0.143 114.698 114.554 0.001 0.000 2.909 80 T HA 0.726 5.076 4.350 -0.001 0.000 0.299 80 T C -1.589 173.104 174.700 -0.011 0.000 1.073 80 T CA -0.924 61.175 62.100 -0.003 0.000 0.999 80 T CB 2.195 71.059 68.868 -0.006 0.000 1.098 80 T HN 0.153 nan 8.240 nan 0.000 0.477 81 L N 1.877 123.094 121.223 -0.010 0.000 2.476 81 L HA 0.751 5.091 4.340 -0.001 0.000 0.269 81 L C -1.120 175.743 176.870 -0.012 0.000 0.965 81 L CA -0.120 54.706 54.840 -0.024 0.000 0.845 81 L CB 2.170 44.211 42.059 -0.030 0.000 1.259 81 L HN 0.963 nan 8.230 nan 0.000 0.403 82 S N 3.563 119.255 115.700 -0.012 0.000 2.538 82 S HA 0.927 5.397 4.470 -0.001 0.000 0.288 82 S C -0.316 174.295 174.600 0.017 0.000 1.108 82 S CA -0.112 58.094 58.200 0.010 0.000 0.971 82 S CB 1.908 65.115 63.200 0.012 0.000 1.041 82 S HN 0.878 nan 8.310 nan 0.000 0.483 83 A N 1.958 124.803 122.820 0.041 0.000 3.426 83 A HA 0.410 4.730 4.320 -0.001 0.000 0.222 83 A C -0.557 177.055 177.584 0.047 0.000 1.090 83 A CA -0.634 51.424 52.037 0.034 0.000 1.026 83 A CB -0.261 18.735 19.000 -0.006 0.000 1.342 83 A HN 0.728 nan 8.150 nan 0.000 0.695 84 F N 1.792 121.726 119.950 -0.027 0.000 2.608 84 F HA 0.406 4.932 4.527 -0.001 0.000 0.380 84 F C 1.271 177.057 175.800 -0.022 0.000 1.083 84 F CA 1.632 59.616 58.000 -0.027 0.000 1.266 84 F CB 0.641 39.623 39.000 -0.031 0.000 1.076 84 F HN 1.107 nan 8.300 nan 0.000 0.574 85 G N 3.940 112.187 108.800 -0.923 0.000 2.305 85 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.287 85 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.287 85 G C 0.471 175.203 174.900 -0.280 0.000 1.036 85 G CA 0.659 45.301 45.100 -0.762 0.000 0.887 85 G HN 1.394 nan 8.290 nan 0.000 0.505 86 T N -3.535 110.910 114.554 -0.182 0.000 3.084 86 T HA 0.496 4.846 4.350 -0.001 0.000 0.270 86 T C 1.863 176.518 174.700 -0.073 0.000 1.008 86 T CA 1.042 63.090 62.100 -0.087 0.000 0.900 86 T CB 0.797 69.636 68.868 -0.047 0.000 1.084 86 T HN 2.078 nan 8.240 nan 0.000 0.538 87 G N 1.375 110.119 108.800 -0.093 0.000 2.160 87 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.244 87 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.244 87 G C 0.020 174.894 174.900 -0.043 0.000 1.022 87 G CA -0.126 44.935 45.100 -0.065 0.000 0.741 87 G HN 0.700 nan 8.290 nan 0.000 0.508 88 V N 0.924 120.811 119.914 -0.044 0.000 2.585 88 V HA 0.388 4.507 4.120 -0.001 0.000 0.296 88 V C 1.769 177.854 176.094 -0.015 0.000 1.035 88 V CA 1.393 63.681 62.300 -0.020 0.000 1.084 88 V CB 1.152 32.966 31.823 -0.015 0.000 0.953 88 V HN 0.842 nan 8.190 nan 0.000 0.483 89 T N -0.277 114.276 114.554 -0.000 0.000 2.969 89 T HA 0.171 4.520 4.350 -0.001 0.000 0.250 89 T C 0.611 175.318 174.700 0.012 0.000 1.021 89 T CA 0.506 62.607 62.100 0.001 0.000 1.003 89 T CB 0.618 69.486 68.868 0.001 0.000 1.040 89 T HN 0.652 nan 8.240 nan 0.000 0.492 90 T N 1.165 115.735 114.554 0.026 0.000 2.933 90 T HA 0.581 4.931 4.350 -0.001 0.000 0.305 90 T C -0.044 174.695 174.700 0.064 0.000 1.092 90 T CA -0.911 61.211 62.100 0.037 0.000 1.008 90 T CB 1.472 70.361 68.868 0.035 0.000 1.102 90 T HN 0.377 nan 8.240 nan 0.000 0.469 91 I N 0.550 121.158 120.570 0.064 0.000 3.941 91 I HA 0.548 4.718 4.170 -0.001 0.000 0.335 91 I C 0.524 176.703 176.117 0.103 0.000 1.402 91 I CA -0.509 60.850 61.300 0.099 0.000 1.112 91 I CB 0.050 38.095 38.000 0.075 0.000 1.043 91 I HN 0.401 nan 8.210 nan 0.000 0.395 92 E N 2.549 122.789 120.200 0.067 0.000 2.652 92 E HA 0.241 4.590 4.350 -0.001 0.000 0.255 92 E C 1.244 177.828 176.600 -0.027 0.000 0.952 92 E CA 1.656 58.068 56.400 0.021 0.000 0.947 92 E CB 0.213 29.920 29.700 0.010 0.000 0.912 92 E HN 0.621 nan 8.360 nan 0.000 0.489 93 G N 2.210 110.930 108.800 -0.133 0.000 2.313 93 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.215 93 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.215 93 G C 1.047 175.852 174.900 -0.158 0.000 1.023 93 G CA 0.478 45.297 45.100 -0.467 0.000 0.626 93 G HN 1.104 nan 8.290 nan 0.000 0.503 94 V N 0.837 120.837 119.914 0.142 0.000 2.720 94 V HA -0.085 4.035 4.120 -0.001 0.000 0.256 94 V C 2.614 178.724 176.094 0.027 0.000 1.082 94 V CA 2.541 64.978 62.300 0.229 0.000 1.101 94 V CB -0.475 31.458 31.823 0.182 0.000 0.693 94 V HN 0.749 nan 8.190 nan 0.000 0.479 95 Q N 0.367 120.083 119.800 -0.140 0.000 2.368 95 Q HA -0.234 4.106 4.340 -0.001 0.000 0.210 95 Q C 1.697 177.384 176.000 -0.522 0.000 0.982 95 Q CA 2.051 57.652 55.803 -0.337 0.000 0.884 95 Q CB -0.970 27.506 28.738 -0.438 0.000 0.933 95 Q HN 0.769 nan 8.270 nan 0.000 0.460 96 Y N 0.595 120.887 120.300 -0.015 0.000 2.490 96 Y HA 0.244 4.794 4.550 0.000 0.000 0.281 96 Y C 0.976 176.911 175.900 0.058 0.000 1.174 96 Y CA -0.128 57.975 58.100 0.005 0.000 1.295 96 Y CB 0.455 38.893 38.460 -0.037 0.000 1.062 96 Y HN -0.037 nan 8.280 nan 0.000 0.522 97 L N 1.514 122.819 121.223 0.137 0.000 2.480 97 L HA 0.102 4.442 4.340 -0.001 0.000 0.243 97 L C 0.691 177.599 176.870 0.063 0.000 1.315 97 L CA -0.220 54.698 54.840 0.129 0.000 1.231 97 L CB -0.213 41.930 42.059 0.141 0.000 1.444 97 L HN 0.304 nan 8.230 nan 0.000 0.409 98 N N 1.049 119.782 118.700 0.056 0.000 2.205 98 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 98 N C 0.916 176.441 175.510 0.026 0.000 1.015 98 N CA 1.278 54.345 53.050 0.028 0.000 0.862 98 N CB 0.075 38.582 38.487 0.034 0.000 0.986 98 N HN 0.494 nan 8.380 nan 0.000 0.429 99 N N 0.772 119.493 118.700 0.034 0.000 2.276 99 N HA 0.046 4.785 4.740 -0.001 0.000 0.212 99 N C -0.190 175.334 175.510 0.024 0.000 1.127 99 N CA -0.197 52.869 53.050 0.026 0.000 0.834 99 N CB 0.089 38.592 38.487 0.026 0.000 1.014 99 N HN 0.170 nan 8.380 nan 0.000 0.491 100 L N 1.071 122.311 121.223 0.028 0.000 2.410 100 L HA 0.184 4.524 4.340 -0.001 0.000 0.273 100 L C 1.061 177.941 176.870 0.017 0.000 1.144 100 L CA 0.468 55.323 54.840 0.026 0.000 0.863 100 L CB 0.479 42.558 42.059 0.034 0.000 1.140 100 L HN 0.046 nan 8.230 nan 0.000 0.463 101 I N 3.185 123.763 120.570 0.014 0.000 3.445 101 I HA 0.280 4.449 4.170 -0.001 0.000 0.288 101 I C 0.989 177.112 176.117 0.010 0.000 1.198 101 I CA 0.338 61.644 61.300 0.010 0.000 1.417 101 I CB 0.112 38.116 38.000 0.008 0.000 1.205 101 I HN 0.715 nan 8.210 nan 0.000 0.448 102 G N 1.704 110.509 108.800 0.009 0.000 2.643 102 G HA2 0.603 4.563 3.960 -0.001 0.000 0.305 102 G HA3 0.603 4.563 3.960 -0.001 0.000 0.305 102 G C -1.884 173.022 174.900 0.009 0.000 1.387 102 G CA -0.218 44.886 45.100 0.008 0.000 0.982 102 G HN -0.080 nan 8.290 nan 0.000 0.501 103 L N 1.214 122.445 121.223 0.013 0.000 2.372 103 L HA 0.728 5.068 4.340 -0.001 0.000 0.274 103 L C -1.003 175.876 176.870 0.016 0.000 0.988 103 L CA -0.955 53.894 54.840 0.015 0.000 0.833 103 L CB 1.901 43.973 42.059 0.021 0.000 1.236 103 L HN 0.503 nan 8.230 nan 0.000 0.410 104 E N 6.112 126.322 120.200 0.017 0.000 2.235 104 E HA 0.488 4.837 4.350 -0.001 0.000 0.252 104 E C -0.644 175.981 176.600 0.041 0.000 0.886 104 E CA 0.056 56.471 56.400 0.026 0.000 0.767 104 E CB 1.440 31.152 29.700 0.020 0.000 1.205 104 E HN 0.578 nan 8.360 nan 0.000 0.421 105 L N 2.722 123.968 121.223 0.039 0.000 3.193 105 L HA 0.307 4.646 4.340 -0.001 0.000 0.305 105 L C 0.106 176.986 176.870 0.018 0.000 1.299 105 L CA -0.494 54.361 54.840 0.026 0.000 0.904 105 L CB 0.342 42.407 42.059 0.010 0.000 1.331 105 L HN 0.271 nan 8.230 nan 0.000 0.588 106 K N 1.118 121.563 120.400 0.075 0.000 2.448 106 K HA 0.004 4.323 4.320 -0.001 0.000 0.278 106 K C -0.309 176.236 176.600 -0.092 0.000 1.009 106 K CA 0.222 56.559 56.287 0.083 0.000 0.995 106 K CB 0.381 33.038 32.500 0.261 0.000 0.917 106 K HN 0.152 nan 8.250 nan 0.000 0.481 107 D N 2.112 122.446 120.400 -0.110 0.000 2.828 107 D HA -0.188 4.452 4.640 -0.001 0.000 0.241 107 D C -0.951 175.206 176.300 -0.240 0.000 1.142 107 D CA 0.826 54.701 54.000 -0.208 0.000 0.755 107 D CB -0.864 39.719 40.800 -0.362 0.000 1.014 107 D HN 0.614 nan 8.370 nan 0.000 0.420 108 N N 0.007 118.626 118.700 -0.136 0.000 3.201 108 N HA 0.328 5.068 4.740 -0.001 0.000 0.344 108 N C 0.306 175.777 175.510 -0.065 0.000 1.465 108 N CA -0.499 52.488 53.050 -0.105 0.000 0.731 108 N CB 0.685 39.124 38.487 -0.080 0.000 1.677 108 N HN -0.064 nan 8.380 nan 0.000 0.631 109 Q N 0.934 120.707 119.800 -0.045 0.000 2.182 109 Q HA 0.423 4.763 4.340 -0.001 0.000 0.305 109 Q C -0.532 175.459 176.000 -0.016 0.000 0.880 109 Q CA -0.229 55.556 55.803 -0.029 0.000 1.131 109 Q CB 0.277 28.999 28.738 -0.027 0.000 1.237 109 Q HN 0.507 nan 8.270 nan 0.000 0.447 110 I N 1.167 121.729 120.570 -0.014 0.000 2.496 110 I HA 0.013 4.183 4.170 -0.001 0.000 0.285 110 I C 1.417 177.533 176.117 -0.001 0.000 1.080 110 I CA 0.495 61.792 61.300 -0.003 0.000 1.404 110 I CB 1.209 39.210 38.000 0.001 0.000 1.403 110 I HN 0.106 nan 8.210 nan 0.000 0.539 111 T N -0.896 113.659 114.554 0.002 0.000 2.975 111 T HA 0.156 4.506 4.350 -0.001 0.000 0.261 111 T C 0.041 174.743 174.700 0.004 0.000 0.984 111 T CA -0.255 61.847 62.100 0.002 0.000 0.911 111 T CB 0.189 69.058 68.868 0.001 0.000 1.127 111 T HN 0.479 nan 8.240 nan 0.000 0.514 112 D N 0.729 121.132 120.400 0.005 0.000 2.620 112 D HA 0.387 5.026 4.640 -0.001 0.000 0.252 112 D C 0.207 176.511 176.300 0.006 0.000 1.207 112 D CA -0.736 53.267 54.000 0.005 0.000 0.884 112 D CB 1.397 42.200 40.800 0.004 0.000 1.262 112 D HN 0.165 nan 8.370 nan 0.000 0.552 113 L N 2.869 124.094 121.223 0.004 0.000 2.700 113 L HA 0.323 4.663 4.340 -0.001 0.000 0.234 113 L C 2.105 178.974 176.870 -0.002 0.000 1.156 113 L CA -0.145 54.698 54.840 0.005 0.000 0.946 113 L CB 0.165 42.227 42.059 0.006 0.000 1.216 113 L HN 0.439 nan 8.230 nan 0.000 0.493 114 A N 1.341 124.158 122.820 -0.005 0.000 1.948 114 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 114 A C -0.187 177.383 177.584 -0.024 0.000 1.177 114 A CA 1.574 53.603 52.037 -0.014 0.000 0.636 114 A CB -1.472 17.519 19.000 -0.013 0.000 0.815 114 A HN 0.283 nan 8.150 nan 0.000 0.449 115 P HA -0.102 nan 4.420 nan 0.000 0.223 115 P C 1.011 178.286 177.300 -0.042 0.000 1.144 115 P CA 0.755 63.831 63.100 -0.040 0.000 0.783 115 P CB -0.093 31.597 31.700 -0.017 0.000 0.771 116 L N -1.385 119.825 121.223 -0.022 0.000 2.509 116 L HA 0.048 4.388 4.340 -0.001 0.000 0.222 116 L C 2.290 179.146 176.870 -0.025 0.000 1.123 116 L CA 0.581 55.411 54.840 -0.016 0.000 0.856 116 L CB -0.483 41.575 42.059 -0.002 0.000 0.985 116 L HN -0.077 nan 8.230 nan 0.000 0.456 117 K N 0.900 121.281 120.400 -0.031 0.000 2.152 117 K HA -0.148 4.172 4.320 -0.001 0.000 0.206 117 K C 1.323 177.905 176.600 -0.031 0.000 1.048 117 K CA 1.339 57.610 56.287 -0.027 0.000 0.933 117 K CB 0.142 32.625 32.500 -0.029 0.000 0.721 117 K HN 0.230 nan 8.250 nan 0.000 0.447 118 N N 0.077 118.749 118.700 -0.046 0.000 2.214 118 N HA 0.102 4.842 4.740 -0.001 0.000 0.214 118 N C -0.675 174.810 175.510 -0.042 0.000 1.132 118 N CA 0.025 53.047 53.050 -0.046 0.000 0.856 118 N CB 0.398 38.847 38.487 -0.064 0.000 1.020 118 N HN 0.114 nan 8.380 nan 0.000 0.509 119 L N 0.693 121.895 121.223 -0.034 0.000 2.397 119 L HA 0.185 4.525 4.340 -0.001 0.000 0.271 119 L C 1.367 178.230 176.870 -0.011 0.000 1.148 119 L CA 0.258 55.086 54.840 -0.022 0.000 0.825 119 L CB 0.919 42.970 42.059 -0.012 0.000 1.117 119 L HN 0.117 nan 8.230 nan 0.000 0.456 120 T N -3.203 111.347 114.554 -0.006 0.000 3.087 120 T HA 0.161 4.511 4.350 -0.001 0.000 0.283 120 T C 0.937 175.638 174.700 0.002 0.000 0.956 120 T CA -0.409 61.689 62.100 -0.003 0.000 0.894 120 T CB 0.239 69.105 68.868 -0.004 0.000 1.160 120 T HN 0.481 nan 8.240 nan 0.000 0.532 121 K N 0.713 121.115 120.400 0.004 0.000 2.374 121 K HA 0.412 4.732 4.320 -0.001 0.000 0.202 121 K C 0.322 176.927 176.600 0.008 0.000 1.040 121 K CA -0.284 56.007 56.287 0.007 0.000 1.085 121 K CB 0.835 33.340 32.500 0.009 0.000 0.873 121 K HN 0.431 nan 8.250 nan 0.000 0.539 122 I N 2.672 123.247 120.570 0.008 0.000 2.581 122 I HA -0.096 4.073 4.170 -0.001 0.000 0.285 122 I C 1.016 177.139 176.117 0.010 0.000 1.129 122 I CA 0.648 61.954 61.300 0.010 0.000 1.397 122 I CB 0.834 38.841 38.000 0.011 0.000 1.399 122 I HN 0.144 nan 8.210 nan 0.000 0.537 123 T N 2.398 116.958 114.554 0.010 0.000 2.971 123 T HA 0.226 4.575 4.350 -0.001 0.000 0.252 123 T C 0.490 175.199 174.700 0.014 0.000 1.022 123 T CA -0.193 61.914 62.100 0.011 0.000 0.980 123 T CB 0.132 69.004 68.868 0.008 0.000 1.044 123 T HN 0.606 nan 8.240 nan 0.000 0.501 124 E N 0.683 120.891 120.200 0.014 0.000 2.241 124 E HA 0.505 4.854 4.350 -0.001 0.000 0.263 124 E C -2.130 174.481 176.600 0.019 0.000 0.882 124 E CA -0.792 55.619 56.400 0.017 0.000 0.769 124 E CB 2.108 31.814 29.700 0.010 0.000 1.185 124 E HN 0.248 nan 8.360 nan 0.000 0.415 125 L N 4.398 125.637 121.223 0.026 0.000 2.404 125 L HA 0.408 4.748 4.340 -0.001 0.000 0.272 125 L C -1.248 175.640 176.870 0.029 0.000 0.980 125 L CA -0.449 54.406 54.840 0.026 0.000 0.836 125 L CB 1.659 43.734 42.059 0.027 0.000 1.238 125 L HN 0.465 nan 8.230 nan 0.000 0.408 126 E N 4.967 125.179 120.200 0.020 0.000 2.149 126 E HA 0.450 4.799 4.350 -0.001 0.000 0.255 126 E C -1.068 175.542 176.600 0.017 0.000 0.888 126 E CA 0.040 56.447 56.400 0.011 0.000 0.742 126 E CB 0.695 30.394 29.700 -0.002 0.000 1.164 126 E HN 0.711 nan 8.360 nan 0.000 0.422 127 L N 3.005 124.239 121.223 0.018 0.000 3.267 127 L HA 0.309 4.648 4.340 -0.001 0.000 0.289 127 L C 0.498 177.376 176.870 0.013 0.000 1.260 127 L CA -0.474 54.376 54.840 0.016 0.000 1.034 127 L CB 0.700 42.770 42.059 0.019 0.000 1.413 127 L HN 0.410 nan 8.230 nan 0.000 0.594 128 S N 0.648 116.354 115.700 0.010 0.000 2.558 128 S HA 0.224 4.694 4.470 -0.001 0.000 0.291 128 S C 1.379 175.984 174.600 0.008 0.000 1.306 128 S CA 0.948 59.153 58.200 0.008 0.000 1.056 128 S CB 0.373 63.568 63.200 -0.009 0.000 0.836 128 S HN 0.723 nan 8.310 nan 0.000 0.504 129 G N 4.000 112.804 108.800 0.005 0.000 2.246 129 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.273 129 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.273 129 G C -0.189 174.699 174.900 -0.020 0.000 1.055 129 G CA 0.069 45.165 45.100 -0.006 0.000 0.851 129 G HN 0.757 nan 8.290 nan 0.000 0.500 130 N N 0.170 118.863 118.700 -0.011 0.000 2.314 130 N HA 0.439 5.179 4.740 -0.001 0.000 0.304 130 N C -2.704 172.803 175.510 -0.005 0.000 1.073 130 N CA -1.555 51.488 53.050 -0.013 0.000 0.822 130 N CB 2.646 41.128 38.487 -0.009 0.000 1.280 130 N HN -0.032 nan 8.380 nan 0.000 0.489 131 P HA 0.152 nan 4.420 nan 0.000 0.226 131 P C 0.867 178.168 177.300 0.001 0.000 1.783 131 P CA -0.020 63.079 63.100 -0.002 0.000 0.980 131 P CB -0.158 31.539 31.700 -0.005 0.000 1.967 132 L N 0.437 121.663 121.223 0.004 0.000 2.027 132 L HA -0.170 4.170 4.340 -0.001 0.000 0.206 132 L C 1.809 178.683 176.870 0.007 0.000 1.074 132 L CA 1.274 56.117 54.840 0.006 0.000 0.745 132 L CB -0.856 41.209 42.059 0.010 0.000 0.898 132 L HN 0.195 nan 8.230 nan 0.000 0.433 133 K N -0.545 119.860 120.400 0.008 0.000 3.658 133 K HA -0.279 4.040 4.320 -0.001 0.000 0.372 133 K C 0.149 176.755 176.600 0.009 0.000 0.598 133 K CA 1.861 58.153 56.287 0.008 0.000 1.635 133 K CB -1.100 31.403 32.500 0.005 0.000 1.178 133 K HN 0.701 nan 8.250 nan 0.000 0.470 134 N N -1.903 116.802 118.700 0.009 0.000 2.591 134 N HA 0.437 5.177 4.740 -0.001 0.000 0.263 134 N C -0.317 175.199 175.510 0.010 0.000 1.308 134 N CA -0.436 52.620 53.050 0.009 0.000 0.837 134 N CB 2.227 40.718 38.487 0.007 0.000 1.548 134 N HN -0.068 nan 8.380 nan 0.000 0.493 135 V N -2.400 117.520 119.914 0.011 0.000 2.991 135 V HA 0.398 4.518 4.120 -0.001 0.000 0.355 135 V C 0.824 176.924 176.094 0.009 0.000 1.384 135 V CA -0.216 62.091 62.300 0.012 0.000 1.171 135 V CB -0.231 31.602 31.823 0.016 0.000 1.190 135 V HN 0.628 nan 8.190 nan 0.000 0.540 136 S N 2.171 117.875 115.700 0.007 0.000 2.380 136 S HA -0.239 4.231 4.470 -0.001 0.000 0.229 136 S C 2.225 176.827 174.600 0.003 0.000 1.043 136 S CA 2.272 60.475 58.200 0.005 0.000 1.038 136 S CB -0.297 62.905 63.200 0.004 0.000 0.872 136 S HN 1.065 nan 8.310 nan 0.000 0.456 137 A N 1.397 124.219 122.820 0.003 0.000 2.070 137 A HA -0.030 4.290 4.320 -0.001 0.000 0.220 137 A C 1.922 179.507 177.584 0.001 0.000 1.159 137 A CA 1.280 53.317 52.037 0.000 0.000 0.656 137 A CB -0.814 18.186 19.000 -0.001 0.000 0.800 137 A HN 0.744 nan 8.150 nan 0.000 0.453 138 I N -4.418 116.155 120.570 0.005 0.000 3.793 138 I HA 0.375 4.545 4.170 -0.001 0.000 0.315 138 I C 1.801 177.921 176.117 0.006 0.000 1.275 138 I CA 0.644 61.947 61.300 0.006 0.000 1.214 138 I CB -0.154 37.852 38.000 0.011 0.000 1.018 138 I HN 0.100 nan 8.210 nan 0.000 0.439 139 A N 1.972 124.794 122.820 0.004 0.000 1.978 139 A HA -0.044 4.276 4.320 -0.001 0.000 0.220 139 A C 2.203 179.789 177.584 0.003 0.000 1.170 139 A CA 1.767 53.806 52.037 0.004 0.000 0.636 139 A CB -1.170 17.832 19.000 0.003 0.000 0.810 139 A HN 0.579 nan 8.150 nan 0.000 0.448 140 G N -1.021 107.779 108.800 0.001 0.000 3.042 140 G HA2 0.346 4.305 3.960 -0.001 0.000 0.212 140 G HA3 0.346 4.305 3.960 -0.001 0.000 0.212 140 G C 0.525 175.425 174.900 -0.000 0.000 1.166 140 G CA -0.295 44.804 45.100 -0.001 0.000 0.767 140 G HN 0.396 nan 8.290 nan 0.000 0.546 141 L N 1.368 122.591 121.223 0.001 0.000 2.391 141 L HA 0.202 4.542 4.340 -0.001 0.000 0.249 141 L C 1.731 178.604 176.870 0.005 0.000 1.308 141 L CA -0.183 54.658 54.840 0.002 0.000 1.209 141 L CB 0.393 42.455 42.059 0.004 0.000 1.401 141 L HN 0.232 nan 8.230 nan 0.000 0.416 142 Q N 0.769 120.571 119.800 0.004 0.000 2.369 142 Q HA -0.141 4.199 4.340 -0.001 0.000 0.206 142 Q C 2.120 178.123 176.000 0.006 0.000 0.963 142 Q CA 1.332 57.138 55.803 0.005 0.000 0.894 142 Q CB 0.306 29.046 28.738 0.003 0.000 0.965 142 Q HN 0.809 nan 8.270 nan 0.000 0.475 143 S N -0.239 115.464 115.700 0.005 0.000 2.469 143 S HA -0.069 4.401 4.470 -0.001 0.000 0.238 143 S C 0.883 175.488 174.600 0.009 0.000 0.998 143 S CA 0.175 58.379 58.200 0.006 0.000 0.957 143 S CB -0.410 62.794 63.200 0.006 0.000 0.764 143 S HN 0.308 nan 8.310 nan 0.000 0.514 144 I N 2.019 122.595 120.570 0.010 0.000 2.618 144 I HA 0.083 4.253 4.170 -0.001 0.000 0.284 144 I C 1.215 177.341 176.117 0.015 0.000 1.146 144 I CA 0.139 61.448 61.300 0.014 0.000 1.425 144 I CB 0.842 38.853 38.000 0.017 0.000 1.383 144 I HN 0.195 nan 8.210 nan 0.000 0.562 145 K N 2.882 123.292 120.400 0.016 0.000 2.399 145 K HA 0.189 4.508 4.320 -0.001 0.000 0.196 145 K C -0.057 176.555 176.600 0.020 0.000 1.117 145 K CA 0.434 56.730 56.287 0.015 0.000 0.965 145 K CB 0.708 33.215 32.500 0.011 0.000 0.983 145 K HN 0.544 nan 8.250 nan 0.000 0.531 146 T N 1.419 115.990 114.554 0.028 0.000 2.928 146 T HA 0.467 4.816 4.350 -0.001 0.000 0.296 146 T C -1.886 172.854 174.700 0.066 0.000 1.000 146 T CA -0.576 61.552 62.100 0.046 0.000 0.989 146 T CB 1.654 70.544 68.868 0.037 0.000 1.005 146 T HN -0.081 nan 8.240 nan 0.000 0.442 147 L N 3.536 124.822 121.223 0.105 0.000 2.476 147 L HA 0.672 5.012 4.340 -0.001 0.000 0.269 147 L C -1.785 175.200 176.870 0.192 0.000 0.965 147 L CA -0.470 54.435 54.840 0.109 0.000 0.845 147 L CB 1.966 44.070 42.059 0.075 0.000 1.259 147 L HN 0.488 nan 8.230 nan 0.000 0.403 148 D N 4.893 125.384 120.400 0.153 0.000 2.414 148 D HA 0.394 5.033 4.640 -0.001 0.000 0.232 148 D C -0.227 176.124 176.300 0.085 0.000 1.070 148 D CA -0.032 54.057 54.000 0.149 0.000 0.839 148 D CB 1.064 41.839 40.800 -0.041 0.000 1.079 148 D HN 0.671 nan 8.370 nan 0.000 0.521 149 L N 2.815 124.105 121.223 0.112 0.000 3.066 149 L HA 0.202 4.542 4.340 -0.001 0.000 0.265 149 L C 0.576 177.487 176.870 0.069 0.000 1.232 149 L CA -0.299 54.585 54.840 0.072 0.000 1.031 149 L CB 0.583 42.681 42.059 0.066 0.000 1.379 149 L HN 0.253 nan 8.230 nan 0.000 0.563 150 T N 0.409 115.008 114.554 0.074 0.000 2.933 150 T HA -0.056 4.293 4.350 -0.001 0.000 0.306 150 T C 0.979 175.700 174.700 0.036 0.000 1.045 150 T CA 0.485 62.621 62.100 0.060 0.000 1.143 150 T CB 0.373 69.262 68.868 0.034 0.000 1.003 150 T HN 0.405 nan 8.240 nan 0.000 0.540 151 S N 1.522 117.243 115.700 0.034 0.000 3.447 151 S HA -0.153 4.316 4.470 -0.001 0.000 0.371 151 S C 1.070 175.680 174.600 0.018 0.000 0.951 151 S CA 0.837 59.051 58.200 0.023 0.000 1.269 151 S CB -1.476 61.735 63.200 0.018 0.000 0.919 151 S HN 1.056 nan 8.310 nan 0.000 0.516 152 T N -2.469 112.098 114.554 0.021 0.000 3.182 152 T HA 0.371 4.721 4.350 -0.001 0.000 0.277 152 T C 0.395 175.103 174.700 0.014 0.000 1.013 152 T CA -0.061 62.049 62.100 0.016 0.000 0.900 152 T CB 0.089 68.969 68.868 0.020 0.000 1.098 152 T HN 0.496 nan 8.240 nan 0.000 0.543 153 Q N 0.867 120.675 119.800 0.014 0.000 2.461 153 Q HA -0.185 4.155 4.340 -0.001 0.000 0.264 153 Q C 0.209 176.216 176.000 0.013 0.000 1.085 153 Q CA 0.833 56.644 55.803 0.012 0.000 1.006 153 Q CB -1.931 26.811 28.738 0.008 0.000 1.437 153 Q HN 0.935 nan 8.270 nan 0.000 0.514 154 I N -3.520 117.060 120.570 0.016 0.000 2.677 154 I HA 0.493 4.663 4.170 -0.001 0.000 0.305 154 I C 1.213 177.339 176.117 0.016 0.000 0.988 154 I CA 0.056 61.366 61.300 0.016 0.000 1.260 154 I CB 1.491 39.503 38.000 0.019 0.000 1.410 154 I HN 0.111 nan 8.210 nan 0.000 0.523 155 T N -1.371 113.192 114.554 0.014 0.000 3.010 155 T HA 0.214 4.564 4.350 -0.001 0.000 0.253 155 T C -0.020 174.687 174.700 0.013 0.000 0.939 155 T CA 0.004 62.112 62.100 0.013 0.000 0.910 155 T CB -0.277 68.598 68.868 0.011 0.000 1.226 155 T HN 0.766 nan 8.240 nan 0.000 0.508 156 D N 1.445 121.852 120.400 0.012 0.000 2.375 156 D HA 0.456 5.096 4.640 -0.001 0.000 0.247 156 D C 0.768 177.076 176.300 0.013 0.000 1.061 156 D CA -0.747 53.260 54.000 0.011 0.000 0.834 156 D CB 2.207 43.013 40.800 0.009 0.000 1.247 156 D HN 0.098 nan 8.370 nan 0.000 0.489 157 V N 1.009 120.931 119.914 0.013 0.000 3.271 157 V HA 0.168 4.288 4.120 -0.001 0.000 0.327 157 V C 1.506 177.607 176.094 0.011 0.000 1.389 157 V CA 0.011 62.319 62.300 0.014 0.000 1.156 157 V CB -0.264 31.568 31.823 0.015 0.000 1.103 157 V HN 0.578 nan 8.190 nan 0.000 0.453 158 T N 2.400 116.960 114.554 0.009 0.000 2.653 158 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 158 T C -0.116 174.589 174.700 0.008 0.000 1.035 158 T CA 2.809 64.913 62.100 0.007 0.000 1.154 158 T CB -1.205 67.666 68.868 0.006 0.000 0.862 158 T HN 0.562 nan 8.240 nan 0.000 0.441 159 P HA 0.047 nan 4.420 nan 0.000 0.226 159 P C 1.022 178.327 177.300 0.009 0.000 1.146 159 P CA 0.775 63.880 63.100 0.008 0.000 0.773 159 P CB -0.321 31.384 31.700 0.009 0.000 0.772 160 L N -2.054 119.175 121.223 0.011 0.000 2.558 160 L HA 0.167 4.506 4.340 -0.001 0.000 0.225 160 L C 2.240 179.115 176.870 0.009 0.000 1.128 160 L CA 0.405 55.252 54.840 0.012 0.000 0.868 160 L CB -0.843 41.225 42.059 0.015 0.000 1.006 160 L HN -0.066 nan 8.230 nan 0.000 0.454 161 A N 0.908 123.733 122.820 0.007 0.000 2.024 161 A HA -0.100 4.219 4.320 -0.001 0.000 0.220 161 A C 2.179 179.766 177.584 0.005 0.000 1.164 161 A CA 1.697 53.737 52.037 0.005 0.000 0.643 161 A CB -0.744 18.259 19.000 0.005 0.000 0.806 161 A HN 0.432 nan 8.150 nan 0.000 0.451 162 G N -1.063 107.740 108.800 0.005 0.000 3.141 162 G HA2 0.363 4.323 3.960 -0.001 0.000 0.218 162 G HA3 0.363 4.323 3.960 -0.001 0.000 0.218 162 G C 0.445 175.348 174.900 0.005 0.000 1.170 162 G CA -0.284 44.819 45.100 0.005 0.000 0.769 162 G HN 0.384 nan 8.290 nan 0.000 0.546 163 L N 2.610 123.837 121.223 0.007 0.000 2.466 163 L HA 0.145 4.485 4.340 -0.001 0.000 0.248 163 L C 1.713 178.588 176.870 0.008 0.000 1.240 163 L CA -0.395 54.450 54.840 0.008 0.000 1.180 163 L CB 0.562 42.628 42.059 0.011 0.000 1.413 163 L HN 0.228 nan 8.230 nan 0.000 0.406 164 S N -1.095 114.609 115.700 0.006 0.000 2.481 164 S HA -0.061 4.408 4.470 -0.001 0.000 0.231 164 S C 1.277 175.880 174.600 0.006 0.000 0.996 164 S CA 0.378 58.581 58.200 0.005 0.000 0.942 164 S CB -0.090 63.113 63.200 0.004 0.000 0.768 164 S HN 0.588 nan 8.310 nan 0.000 0.520 165 N N 0.972 119.676 118.700 0.007 0.000 2.336 165 N HA 0.213 4.953 4.740 -0.001 0.000 0.189 165 N C -0.320 175.196 175.510 0.010 0.000 1.113 165 N CA -0.061 52.994 53.050 0.008 0.000 0.858 165 N CB -0.197 38.295 38.487 0.008 0.000 0.970 165 N HN 0.294 nan 8.380 nan 0.000 0.471 166 L N 1.602 122.832 121.223 0.010 0.000 2.540 166 L HA -0.040 4.300 4.340 -0.001 0.000 0.276 166 L C 1.354 178.231 176.870 0.012 0.000 1.212 166 L CA 1.032 55.879 54.840 0.012 0.000 0.893 166 L CB 0.512 42.579 42.059 0.013 0.000 1.138 166 L HN 0.138 nan 8.230 nan 0.000 0.491 167 Q N 2.312 122.121 119.800 0.014 0.000 2.422 167 Q HA 0.264 4.604 4.340 -0.001 0.000 0.255 167 Q C -0.765 175.250 176.000 0.025 0.000 0.864 167 Q CA 0.106 55.920 55.803 0.019 0.000 0.968 167 Q CB 1.132 29.881 28.738 0.017 0.000 1.130 167 Q HN 0.451 nan 8.270 nan 0.000 0.556 168 V N 1.931 121.850 119.914 0.010 0.000 2.531 168 V HA 0.443 4.562 4.120 -0.001 0.000 0.301 168 V C -1.334 174.739 176.094 -0.035 0.000 1.034 168 V CA -0.757 61.531 62.300 -0.020 0.000 0.865 168 V CB 2.022 33.808 31.823 -0.062 0.000 0.995 168 V HN 0.090 nan 8.190 nan 0.000 0.424 169 L N 5.832 126.986 121.223 -0.116 0.000 2.438 169 L HA 0.679 5.018 4.340 -0.001 0.000 0.270 169 L C -1.698 175.039 176.870 -0.222 0.000 0.972 169 L CA -0.307 54.491 54.840 -0.071 0.000 0.831 169 L CB 1.859 43.905 42.059 -0.021 0.000 1.273 169 L HN 0.553 nan 8.230 nan 0.000 0.405 170 Y N 5.695 126.033 120.300 0.063 0.000 2.335 170 Y HA 0.545 5.095 4.550 -0.000 0.000 0.338 170 Y C 0.470 176.393 175.900 0.039 0.000 0.977 170 Y CA -0.575 57.561 58.100 0.059 0.000 1.114 170 Y CB 1.657 40.147 38.460 0.049 0.000 1.182 170 Y HN 0.489 nan 8.280 nan 0.000 0.463 171 L N 1.937 123.251 121.223 0.150 0.000 3.184 171 L HA 0.266 4.606 4.340 -0.001 0.000 0.283 171 L C -0.537 176.389 176.870 0.093 0.000 1.218 171 L CA -0.313 54.586 54.840 0.098 0.000 1.028 171 L CB 0.151 42.243 42.059 0.055 0.000 1.400 171 L HN 0.612 nan 8.230 nan 0.000 0.591 172 D N 1.077 121.553 120.400 0.126 0.000 2.515 172 D HA 0.091 4.731 4.640 -0.001 0.000 0.232 172 D C 0.838 177.175 176.300 0.062 0.000 1.157 172 D CA 0.586 54.640 54.000 0.090 0.000 0.871 172 D CB 0.385 41.248 40.800 0.105 0.000 1.200 172 D HN 0.004 nan 8.370 nan 0.000 0.466 173 L N 0.229 121.479 121.223 0.045 0.000 3.598 173 L HA -0.255 4.084 4.340 -0.001 0.000 0.422 173 L C -0.624 176.264 176.870 0.030 0.000 1.262 173 L CA 0.324 55.184 54.840 0.034 0.000 0.889 173 L CB -1.369 40.709 42.059 0.032 0.000 1.857 173 L HN 0.507 nan 8.230 nan 0.000 0.858 174 N N 0.196 118.915 118.700 0.031 0.000 2.225 174 N HA 0.301 5.041 4.740 -0.001 0.000 0.298 174 N C -0.389 175.135 175.510 0.022 0.000 1.076 174 N CA -0.760 52.305 53.050 0.026 0.000 0.792 174 N CB 1.524 40.029 38.487 0.030 0.000 1.498 174 N HN 0.042 nan 8.380 nan 0.000 0.474 175 Q N 1.642 121.453 119.800 0.018 0.000 3.184 175 Q HA 0.333 4.673 4.340 -0.001 0.000 0.288 175 Q C -0.165 175.845 176.000 0.016 0.000 1.412 175 Q CA 0.178 55.990 55.803 0.016 0.000 0.991 175 Q CB -0.476 28.270 28.738 0.013 0.000 1.688 175 Q HN 0.492 nan 8.270 nan 0.000 0.554 176 I N 0.701 121.282 120.570 0.017 0.000 2.336 176 I HA 0.121 4.291 4.170 -0.001 0.000 0.292 176 I C 1.300 177.426 176.117 0.014 0.000 0.991 176 I CA -0.127 61.183 61.300 0.016 0.000 1.227 176 I CB 1.726 39.737 38.000 0.018 0.000 1.366 176 I HN 0.245 nan 8.210 nan 0.000 0.466 177 T N 0.544 115.106 114.554 0.012 0.000 2.985 177 T HA 0.172 4.522 4.350 -0.001 0.000 0.254 177 T C 0.318 175.025 174.700 0.010 0.000 1.021 177 T CA -0.183 61.923 62.100 0.012 0.000 0.957 177 T CB -0.076 68.798 68.868 0.011 0.000 1.047 177 T HN 0.476 nan 8.240 nan 0.000 0.511 178 N N 1.119 119.825 118.700 0.010 0.000 2.430 178 N HA 0.420 5.160 4.740 -0.001 0.000 0.290 178 N C -0.162 175.353 175.510 0.007 0.000 1.063 178 N CA -0.986 52.069 53.050 0.008 0.000 0.883 178 N CB 1.641 40.133 38.487 0.008 0.000 1.465 178 N HN 0.378 nan 8.380 nan 0.000 0.493 179 I N 0.272 120.846 120.570 0.005 0.000 3.877 179 I HA 0.370 4.540 4.170 -0.001 0.000 0.332 179 I C 0.691 176.809 176.117 0.002 0.000 1.525 179 I CA -0.404 60.898 61.300 0.004 0.000 1.146 179 I CB 0.402 38.403 38.000 0.002 0.000 1.137 179 I HN 0.189 nan 8.210 nan 0.000 0.424 180 S N 2.742 118.444 115.700 0.003 0.000 2.380 180 S HA -0.091 4.379 4.470 -0.001 0.000 0.229 180 S C -0.456 174.146 174.600 0.002 0.000 1.043 180 S CA 1.975 60.176 58.200 0.002 0.000 1.038 180 S CB -1.163 62.038 63.200 0.003 0.000 0.872 180 S HN 0.471 nan 8.310 nan 0.000 0.456 181 P HA 0.012 nan 4.420 nan 0.000 0.228 181 P C 0.799 178.101 177.300 0.003 0.000 1.151 181 P CA 0.738 63.840 63.100 0.004 0.000 0.770 181 P CB -0.149 31.554 31.700 0.006 0.000 0.786 182 L N -1.794 119.430 121.223 0.002 0.000 2.554 182 L HA 0.071 4.410 4.340 -0.001 0.000 0.226 182 L C 2.233 179.102 176.870 -0.002 0.000 1.137 182 L CA 0.481 55.321 54.840 -0.000 0.000 0.863 182 L CB -0.852 41.205 42.059 -0.003 0.000 0.985 182 L HN -0.036 nan 8.230 nan 0.000 0.451 183 A N 0.697 123.516 122.820 -0.001 0.000 2.019 183 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 183 A C 2.174 179.757 177.584 -0.002 0.000 1.164 183 A CA 1.603 53.638 52.037 -0.003 0.000 0.644 183 A CB -0.706 18.293 19.000 -0.002 0.000 0.805 183 A HN 0.428 nan 8.150 nan 0.000 0.449 184 G N -1.016 107.784 108.800 -0.001 0.000 3.141 184 G HA2 0.359 4.319 3.960 -0.001 0.000 0.218 184 G HA3 0.359 4.319 3.960 -0.001 0.000 0.218 184 G C 0.476 175.376 174.900 0.001 0.000 1.170 184 G CA -0.306 44.794 45.100 0.000 0.000 0.769 184 G HN 0.382 nan 8.290 nan 0.000 0.546 185 L N 2.749 123.972 121.223 -0.000 0.000 2.480 185 L HA 0.133 4.472 4.340 -0.001 0.000 0.243 185 L C 1.980 178.850 176.870 0.000 0.000 1.315 185 L CA -0.143 54.698 54.840 0.001 0.000 1.231 185 L CB -0.161 41.898 42.059 0.001 0.000 1.444 185 L HN 0.205 nan 8.230 nan 0.000 0.409 186 T N -4.170 110.384 114.554 0.001 0.000 3.113 186 T HA -0.056 4.294 4.350 -0.001 0.000 0.263 186 T C 1.278 175.979 174.700 0.002 0.000 1.143 186 T CA 0.472 62.572 62.100 0.000 0.000 1.090 186 T CB -0.139 68.730 68.868 0.000 0.000 0.922 186 T HN 0.363 nan 8.240 nan 0.000 0.521 187 N N 0.580 119.282 118.700 0.004 0.000 2.336 187 N HA 0.193 4.932 4.740 -0.001 0.000 0.189 187 N C 0.042 175.558 175.510 0.009 0.000 1.113 187 N CA -0.150 52.904 53.050 0.007 0.000 0.858 187 N CB -0.057 38.434 38.487 0.008 0.000 0.970 187 N HN 0.344 nan 8.380 nan 0.000 0.471 188 L N 1.452 122.679 121.223 0.006 0.000 2.499 188 L HA -0.026 4.314 4.340 -0.001 0.000 0.273 188 L C 1.246 178.124 176.870 0.013 0.000 1.195 188 L CA 0.876 55.721 54.840 0.008 0.000 0.882 188 L CB 0.676 42.734 42.059 -0.002 0.000 1.133 188 L HN 0.058 nan 8.230 nan 0.000 0.483 189 Q N 3.041 122.860 119.800 0.033 0.000 2.422 189 Q HA 0.151 4.490 4.340 -0.001 0.000 0.255 189 Q C -0.930 175.115 176.000 0.075 0.000 0.864 189 Q CA 0.157 55.990 55.803 0.050 0.000 0.968 189 Q CB 0.909 29.689 28.738 0.069 0.000 1.130 189 Q HN 0.639 nan 8.270 nan 0.000 0.556 190 Y N 0.836 121.091 120.300 -0.075 0.000 2.329 190 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 190 Y C -1.803 173.987 175.900 -0.184 0.000 0.992 190 Y CA -1.295 56.735 58.100 -0.117 0.000 1.151 190 Y CB 1.323 39.707 38.460 -0.125 0.000 1.150 190 Y HN -0.034 nan 8.280 nan 0.000 0.450 191 L N 5.419 126.539 121.223 -0.173 0.000 2.376 191 L HA 0.644 4.983 4.340 -0.001 0.000 0.275 191 L C -1.219 175.532 176.870 -0.198 0.000 0.987 191 L CA -0.170 54.581 54.840 -0.149 0.000 0.828 191 L CB 1.925 43.924 42.059 -0.100 0.000 1.249 191 L HN 0.494 nan 8.230 nan 0.000 0.409 192 S N 5.351 120.946 115.700 -0.176 0.000 2.519 192 S HA 0.712 5.182 4.470 -0.001 0.000 0.309 192 S C 0.011 174.603 174.600 -0.013 0.000 1.100 192 S CA -0.551 57.593 58.200 -0.094 0.000 1.059 192 S CB 0.601 63.774 63.200 -0.046 0.000 1.008 192 S HN 0.629 nan 8.310 nan 0.000 0.478 193 I N 2.140 122.710 120.570 0.001 0.000 3.578 193 I HA 0.516 4.686 4.170 -0.001 0.000 0.321 193 I C 0.672 176.804 176.117 0.025 0.000 1.510 193 I CA -0.944 60.367 61.300 0.019 0.000 1.002 193 I CB 0.104 38.105 38.000 0.003 0.000 1.427 193 I HN 0.614 nan 8.210 nan 0.000 0.575 194 G N 1.049 109.868 108.800 0.032 0.000 2.491 194 G HA2 0.123 4.083 3.960 -0.001 0.000 0.238 194 G HA3 0.123 4.083 3.960 -0.001 0.000 0.238 194 G C 0.435 175.355 174.900 0.034 0.000 1.277 194 G CA 0.112 45.230 45.100 0.030 0.000 0.851 194 G HN 0.588 nan 8.290 nan 0.000 0.573 195 N N -1.311 117.406 118.700 0.029 0.000 2.756 195 N HA -0.182 4.557 4.740 -0.001 0.000 0.248 195 N C 0.428 175.953 175.510 0.026 0.000 1.062 195 N CA 1.009 54.075 53.050 0.027 0.000 0.696 195 N CB -1.254 37.250 38.487 0.027 0.000 0.946 195 N HN 1.010 nan 8.380 nan 0.000 0.548 196 A N 0.006 122.841 122.820 0.024 0.000 3.509 196 A HA 0.673 4.992 4.320 -0.001 0.000 0.188 196 A C 0.280 177.875 177.584 0.019 0.000 1.116 196 A CA -0.136 51.914 52.037 0.022 0.000 0.859 196 A CB 0.776 19.790 19.000 0.023 0.000 1.471 196 A HN 0.073 nan 8.150 nan 0.000 0.606 197 Q N 0.114 119.924 119.800 0.017 0.000 2.129 197 Q HA 0.285 4.625 4.340 -0.001 0.000 0.274 197 Q C -0.883 175.126 176.000 0.015 0.000 0.854 197 Q CA -0.011 55.801 55.803 0.016 0.000 1.123 197 Q CB 0.725 29.471 28.738 0.014 0.000 1.226 197 Q HN 0.353 nan 8.270 nan 0.000 0.454 198 V N 1.829 121.752 119.914 0.015 0.000 2.614 198 V HA 0.136 4.255 4.120 -0.001 0.000 0.291 198 V C 1.270 177.372 176.094 0.013 0.000 1.049 198 V CA 0.757 63.065 62.300 0.012 0.000 1.038 198 V CB 1.421 33.250 31.823 0.010 0.000 0.980 198 V HN 0.466 nan 8.190 nan 0.000 0.481 199 S N 2.088 117.795 115.700 0.012 0.000 3.249 199 S HA 0.134 4.603 4.470 -0.001 0.000 0.237 199 S C 0.504 175.110 174.600 0.010 0.000 1.007 199 S CA -0.092 58.116 58.200 0.013 0.000 0.811 199 S CB -0.071 63.138 63.200 0.015 0.000 0.832 199 S HN 0.640 nan 8.310 nan 0.000 0.573 200 D N 1.543 121.948 120.400 0.008 0.000 2.358 200 D HA 0.263 4.903 4.640 -0.001 0.000 0.258 200 D C 0.351 176.651 176.300 0.001 0.000 1.223 200 D CA -0.024 53.979 54.000 0.005 0.000 0.886 200 D CB 0.450 41.253 40.800 0.006 0.000 1.120 200 D HN 0.379 nan 8.370 nan 0.000 0.482 201 L N 3.129 124.351 121.223 -0.002 0.000 2.628 201 L HA 0.044 4.384 4.340 -0.001 0.000 0.229 201 L C 1.958 178.822 176.870 -0.009 0.000 1.137 201 L CA -0.059 54.777 54.840 -0.007 0.000 0.909 201 L CB -0.023 42.029 42.059 -0.012 0.000 1.137 201 L HN 0.374 nan 8.230 nan 0.000 0.470 202 T N 0.827 115.378 114.554 -0.005 0.000 2.737 202 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 202 T C -0.550 174.146 174.700 -0.006 0.000 1.040 202 T CA 1.334 63.431 62.100 -0.005 0.000 1.142 202 T CB -0.816 68.051 68.868 -0.002 0.000 0.861 202 T HN 0.249 nan 8.240 nan 0.000 0.456 203 P HA 0.051 nan 4.420 nan 0.000 0.223 203 P C 1.050 178.345 177.300 -0.009 0.000 1.144 203 P CA 0.766 63.863 63.100 -0.006 0.000 0.783 203 P CB -0.230 31.468 31.700 -0.004 0.000 0.771 204 L N -2.056 119.159 121.223 -0.013 0.000 2.558 204 L HA 0.129 4.469 4.340 -0.001 0.000 0.225 204 L C 2.238 179.098 176.870 -0.018 0.000 1.128 204 L CA 0.358 55.187 54.840 -0.018 0.000 0.868 204 L CB -0.798 41.246 42.059 -0.025 0.000 1.006 204 L HN -0.053 nan 8.230 nan 0.000 0.454 205 A N 0.772 123.583 122.820 -0.015 0.000 1.940 205 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 205 A C 1.705 179.280 177.584 -0.013 0.000 1.176 205 A CA 1.631 53.660 52.037 -0.015 0.000 0.631 205 A CB -0.316 18.677 19.000 -0.011 0.000 0.814 205 A HN 0.441 nan 8.150 nan 0.000 0.446 206 N N -0.203 118.491 118.700 -0.011 0.000 2.251 206 N HA 0.186 4.925 4.740 -0.001 0.000 0.217 206 N C -0.314 175.191 175.510 -0.009 0.000 1.124 206 N CA 0.094 53.139 53.050 -0.009 0.000 0.843 206 N CB 0.341 38.824 38.487 -0.006 0.000 1.024 206 N HN 0.410 nan 8.380 nan 0.000 0.501 207 L N 1.724 122.940 121.223 -0.012 0.000 2.480 207 L HA 0.137 4.477 4.340 -0.001 0.000 0.243 207 L C 1.492 178.354 176.870 -0.013 0.000 1.315 207 L CA -0.177 54.656 54.840 -0.012 0.000 1.231 207 L CB -0.269 41.781 42.059 -0.016 0.000 1.444 207 L HN 0.079 nan 8.230 nan 0.000 0.409 208 S N -0.339 115.355 115.700 -0.009 0.000 2.447 208 S HA -0.121 4.349 4.470 -0.001 0.000 0.233 208 S C 1.509 176.105 174.600 -0.007 0.000 1.006 208 S CA 0.517 58.711 58.200 -0.009 0.000 0.957 208 S CB -0.068 63.129 63.200 -0.006 0.000 0.773 208 S HN 0.551 nan 8.310 nan 0.000 0.507 209 K N 0.670 121.068 120.400 -0.003 0.000 2.487 209 K HA 0.288 4.608 4.320 -0.001 0.000 0.192 209 K C 0.086 176.687 176.600 0.001 0.000 1.027 209 K CA -0.147 56.142 56.287 0.003 0.000 1.054 209 K CB -0.151 32.353 32.500 0.008 0.000 0.824 209 K HN 0.397 nan 8.250 nan 0.000 0.510 210 L N 2.039 123.256 121.223 -0.011 0.000 2.513 210 L HA -0.053 4.286 4.340 -0.001 0.000 0.272 210 L C 1.427 178.283 176.870 -0.024 0.000 1.187 210 L CA 0.517 55.343 54.840 -0.022 0.000 0.895 210 L CB 0.753 42.788 42.059 -0.040 0.000 1.147 210 L HN 0.309 nan 8.230 nan 0.000 0.483 211 T N -2.388 112.152 114.554 -0.023 0.000 2.987 211 T HA 0.085 4.435 4.350 -0.001 0.000 0.248 211 T C 0.707 175.371 174.700 -0.060 0.000 0.997 211 T CA -0.053 62.037 62.100 -0.016 0.000 1.013 211 T CB 0.480 69.364 68.868 0.027 0.000 1.077 211 T HN 0.440 nan 8.240 nan 0.000 0.483 212 T N 2.651 117.117 114.554 -0.146 0.000 2.840 212 T HA 0.685 5.035 4.350 -0.001 0.000 0.287 212 T C -1.754 172.740 174.700 -0.343 0.000 0.991 212 T CA -0.523 61.398 62.100 -0.297 0.000 0.964 212 T CB 1.699 70.198 68.868 -0.616 0.000 0.954 212 T HN 0.267 nan 8.240 nan 0.000 0.438 213 L N 4.327 125.425 121.223 -0.207 0.000 2.343 213 L HA 0.600 4.940 4.340 -0.001 0.000 0.278 213 L C -0.894 175.923 176.870 -0.089 0.000 0.996 213 L CA -0.428 54.316 54.840 -0.160 0.000 0.831 213 L CB 0.920 42.919 42.059 -0.101 0.000 1.232 213 L HN 0.429 nan 8.230 nan 0.000 0.413 214 K N 4.957 125.280 120.400 -0.129 0.000 2.367 214 K HA 0.774 5.094 4.320 -0.001 0.000 0.263 214 K C -0.186 176.397 176.600 -0.029 0.000 1.000 214 K CA -0.007 56.235 56.287 -0.074 0.000 0.891 214 K CB 1.727 34.118 32.500 -0.182 0.000 1.117 214 K HN 0.655 nan 8.250 nan 0.000 0.443 215 A N 2.989 125.820 122.820 0.019 0.000 2.573 215 A HA 0.149 4.468 4.320 -0.001 0.000 0.269 215 A C -0.651 176.954 177.584 0.035 0.000 0.901 215 A CA -0.600 51.447 52.037 0.017 0.000 1.066 215 A CB 0.112 19.114 19.000 0.003 0.000 1.221 215 A HN 0.598 nan 8.150 nan 0.000 0.483 216 D N 1.573 122.003 120.400 0.050 0.000 2.400 216 D HA 0.168 4.808 4.640 -0.001 0.000 0.238 216 D C -0.077 176.246 176.300 0.039 0.000 1.157 216 D CA 1.029 55.061 54.000 0.054 0.000 0.889 216 D CB 0.375 41.212 40.800 0.061 0.000 1.199 216 D HN 0.359 nan 8.370 nan 0.000 0.436 217 D N 0.849 121.272 120.400 0.038 0.000 2.705 217 D HA -0.168 4.471 4.640 -0.001 0.000 0.240 217 D C 0.015 176.331 176.300 0.027 0.000 1.137 217 D CA 0.695 54.713 54.000 0.030 0.000 0.677 217 D CB -0.561 40.255 40.800 0.027 0.000 1.049 217 D HN 0.372 nan 8.370 nan 0.000 0.427 218 N N -0.044 118.673 118.700 0.028 0.000 3.312 218 N HA 0.328 5.068 4.740 -0.001 0.000 0.361 218 N C 0.555 176.080 175.510 0.025 0.000 1.476 218 N CA -0.515 52.549 53.050 0.024 0.000 0.669 218 N CB 0.803 39.303 38.487 0.021 0.000 1.629 218 N HN -0.058 nan 8.380 nan 0.000 0.612 219 K N 0.729 121.143 120.400 0.023 0.000 2.758 219 K HA 0.450 4.770 4.320 -0.001 0.000 0.208 219 K C -0.558 176.058 176.600 0.026 0.000 1.091 219 K CA -0.110 56.191 56.287 0.024 0.000 1.059 219 K CB 0.247 32.759 32.500 0.020 0.000 0.801 219 K HN 0.360 nan 8.250 nan 0.000 0.470 220 I N 1.691 122.278 120.570 0.028 0.000 2.471 220 I HA -0.076 4.094 4.170 -0.001 0.000 0.286 220 I C 1.374 177.515 176.117 0.039 0.000 1.079 220 I CA 0.244 61.561 61.300 0.027 0.000 1.398 220 I CB 1.228 39.241 38.000 0.022 0.000 1.403 220 I HN 0.206 nan 8.210 nan 0.000 0.530 221 S N 2.413 118.135 115.700 0.036 0.000 2.539 221 S HA 0.131 4.601 4.470 -0.001 0.000 0.226 221 S C 0.223 174.849 174.600 0.044 0.000 1.054 221 S CA -0.310 57.918 58.200 0.047 0.000 0.910 221 S CB 0.348 63.573 63.200 0.042 0.000 0.818 221 S HN 0.650 nan 8.310 nan 0.000 0.490 222 D N 1.491 121.909 120.400 0.029 0.000 2.593 222 D HA 0.407 5.047 4.640 -0.001 0.000 0.251 222 D C 0.141 176.446 176.300 0.008 0.000 1.140 222 D CA -0.756 53.257 54.000 0.021 0.000 0.855 222 D CB 1.608 42.418 40.800 0.017 0.000 1.267 222 D HN 0.404 nan 8.370 nan 0.000 0.532 223 I N 0.617 121.186 120.570 -0.001 0.000 3.877 223 I HA 0.244 4.414 4.170 -0.001 0.000 0.332 223 I C 1.023 177.127 176.117 -0.021 0.000 1.525 223 I CA -0.497 60.792 61.300 -0.017 0.000 1.146 223 I CB 0.489 38.468 38.000 -0.035 0.000 1.137 223 I HN -0.004 nan 8.210 nan 0.000 0.424 224 S N 2.665 118.358 115.700 -0.011 0.000 2.387 224 S HA -0.076 4.394 4.470 -0.001 0.000 0.230 224 S C -0.422 174.168 174.600 -0.016 0.000 1.035 224 S CA 1.871 60.064 58.200 -0.011 0.000 1.014 224 S CB -1.132 62.066 63.200 -0.004 0.000 0.836 224 S HN 0.462 nan 8.310 nan 0.000 0.466 225 P HA -0.002 nan 4.420 nan 0.000 0.220 225 P C 1.104 178.388 177.300 -0.027 0.000 1.148 225 P CA 0.744 63.833 63.100 -0.018 0.000 0.803 225 P CB -0.159 31.532 31.700 -0.016 0.000 0.782 226 L N -1.289 119.912 121.223 -0.036 0.000 2.353 226 L HA -0.129 4.210 4.340 -0.001 0.000 0.220 226 L C 2.292 179.132 176.870 -0.049 0.000 1.133 226 L CA 1.009 55.819 54.840 -0.050 0.000 0.798 226 L CB -1.017 41.001 42.059 -0.069 0.000 0.922 226 L HN -0.009 nan 8.230 nan 0.000 0.445 227 A N 0.310 123.107 122.820 -0.038 0.000 2.019 227 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 227 A C 2.327 179.893 177.584 -0.030 0.000 1.164 227 A CA 1.796 53.813 52.037 -0.032 0.000 0.644 227 A CB -0.436 18.551 19.000 -0.021 0.000 0.805 227 A HN 0.516 nan 8.150 nan 0.000 0.449 228 S N -0.880 114.804 115.700 -0.027 0.000 2.671 228 S HA 0.386 4.855 4.470 -0.001 0.000 0.220 228 S C 0.205 174.790 174.600 -0.025 0.000 0.951 228 S CA -0.273 57.914 58.200 -0.022 0.000 0.932 228 S CB -0.415 62.775 63.200 -0.017 0.000 0.777 228 S HN 0.333 nan 8.310 nan 0.000 0.508 229 L N 2.798 124.000 121.223 -0.034 0.000 2.335 229 L HA 0.388 4.728 4.340 -0.001 0.000 0.268 229 L C -1.745 175.101 176.870 -0.040 0.000 1.037 229 L CA -1.739 53.079 54.840 -0.036 0.000 0.895 229 L CB 1.357 43.390 42.059 -0.044 0.000 1.266 229 L HN 0.037 nan 8.230 nan 0.000 0.439 230 P HA -0.005 nan 4.420 nan 0.000 0.240 230 P C 0.362 177.646 177.300 -0.027 0.000 1.190 230 P CA 0.611 63.693 63.100 -0.030 0.000 0.781 230 P CB 0.461 32.149 31.700 -0.019 0.000 0.931 231 N N -0.098 118.590 118.700 -0.020 0.000 2.280 231 N HA 0.116 4.855 4.740 -0.001 0.000 0.192 231 N C 0.622 176.126 175.510 -0.011 0.000 1.109 231 N CA -0.046 53.000 53.050 -0.006 0.000 0.855 231 N CB 0.254 38.744 38.487 0.004 0.000 0.974 231 N HN 0.258 nan 8.380 nan 0.000 0.482 232 L N 1.336 122.534 121.223 -0.040 0.000 2.513 232 L HA 0.057 4.396 4.340 -0.001 0.000 0.272 232 L C 1.454 178.299 176.870 -0.043 0.000 1.187 232 L CA 0.189 54.996 54.840 -0.055 0.000 0.895 232 L CB 0.647 42.651 42.059 -0.091 0.000 1.147 232 L HN 0.001 nan 8.230 nan 0.000 0.483 233 I N 1.389 121.957 120.570 -0.003 0.000 3.039 233 I HA 0.089 4.259 4.170 -0.001 0.000 0.270 233 I C 0.332 176.471 176.117 0.037 0.000 1.150 233 I CA 0.438 61.783 61.300 0.074 0.000 1.448 233 I CB 0.414 38.494 38.000 0.133 0.000 1.197 233 I HN 0.607 nan 8.210 nan 0.000 0.450 234 E N 0.993 121.184 120.200 -0.014 0.000 2.246 234 E HA 0.550 4.900 4.350 -0.001 0.000 0.266 234 E C -1.389 175.170 176.600 -0.069 0.000 0.880 234 E CA -0.362 56.017 56.400 -0.035 0.000 0.762 234 E CB 3.284 33.014 29.700 0.051 0.000 1.180 234 E HN -0.193 nan 8.360 nan 0.000 0.416 235 V N 3.474 123.295 119.914 -0.154 0.000 2.569 235 V HA 0.241 4.360 4.120 -0.001 0.000 0.301 235 V C -0.814 175.152 176.094 -0.214 0.000 1.044 235 V CA -0.783 61.436 62.300 -0.135 0.000 0.874 235 V CB 1.610 33.321 31.823 -0.186 0.000 1.002 235 V HN 0.705 nan 8.190 nan 0.000 0.424 236 H N 6.246 125.264 119.070 -0.087 0.000 2.551 236 H HA 0.518 5.074 4.556 -0.000 0.000 0.321 236 H C -0.332 174.972 175.328 -0.041 0.000 1.028 236 H CA -0.363 55.653 56.048 -0.052 0.000 1.215 236 H CB 2.243 31.983 29.762 -0.038 0.000 1.414 236 H HN 0.489 nan 8.280 nan 0.000 0.480 237 L N 2.646 123.892 121.223 0.038 0.000 3.439 237 L HA 0.181 4.521 4.340 -0.001 0.000 0.313 237 L C 0.371 177.275 176.870 0.057 0.000 1.292 237 L CA -0.106 54.753 54.840 0.033 0.000 1.020 237 L CB 0.500 42.555 42.059 -0.007 0.000 1.424 237 L HN 0.270 nan 8.230 nan 0.000 0.612 238 K N 1.419 121.861 120.400 0.070 0.000 2.469 238 K HA 0.044 4.363 4.320 -0.001 0.000 0.274 238 K C 0.238 176.876 176.600 0.064 0.000 0.983 238 K CA 0.128 56.459 56.287 0.073 0.000 0.974 238 K CB 0.130 32.675 32.500 0.074 0.000 0.913 238 K HN 0.171 nan 8.250 nan 0.000 0.493 239 N N 1.761 120.496 118.700 0.058 0.000 2.758 239 N HA -0.206 4.533 4.740 -0.001 0.000 0.248 239 N C -0.741 174.796 175.510 0.046 0.000 1.076 239 N CA 0.653 53.729 53.050 0.042 0.000 0.696 239 N CB -1.040 37.467 38.487 0.032 0.000 0.979 239 N HN 0.633 nan 8.380 nan 0.000 0.550 240 N N 0.416 119.153 118.700 0.062 0.000 3.223 240 N HA 0.298 5.037 4.740 -0.001 0.000 0.350 240 N C 0.322 175.875 175.510 0.072 0.000 1.425 240 N CA -0.283 52.803 53.050 0.060 0.000 0.668 240 N CB 0.379 38.902 38.487 0.060 0.000 1.435 240 N HN 0.151 nan 8.380 nan 0.000 0.569 241 Q N 0.549 120.397 119.800 0.079 0.000 2.144 241 Q HA 0.434 4.773 4.340 -0.001 0.000 0.305 241 Q C -0.771 175.300 176.000 0.119 0.000 0.876 241 Q CA -0.097 55.757 55.803 0.086 0.000 1.130 241 Q CB 0.631 29.403 28.738 0.057 0.000 1.267 241 Q HN 0.410 nan 8.270 nan 0.000 0.433 242 I N 1.263 121.933 120.570 0.167 0.000 2.416 242 I HA 0.010 4.180 4.170 -0.001 0.000 0.288 242 I C 1.231 177.540 176.117 0.320 0.000 1.051 242 I CA 0.204 61.620 61.300 0.193 0.000 1.375 242 I CB 1.316 39.414 38.000 0.163 0.000 1.407 242 I HN 0.213 nan 8.210 nan 0.000 0.516 243 S N 2.361 118.199 115.700 0.231 0.000 2.527 243 S HA 0.109 4.579 4.470 -0.001 0.000 0.227 243 S C 0.323 175.065 174.600 0.237 0.000 1.059 243 S CA -0.226 58.105 58.200 0.219 0.000 0.919 243 S CB 0.263 63.520 63.200 0.095 0.000 0.805 243 S HN 0.652 nan 8.310 nan 0.000 0.500 244 D N 1.899 122.381 120.400 0.138 0.000 2.481 244 D HA 0.364 5.004 4.640 -0.001 0.000 0.246 244 D C 0.531 176.819 176.300 -0.020 0.000 1.109 244 D CA -0.594 53.444 54.000 0.064 0.000 0.845 244 D CB 2.091 42.916 40.800 0.042 0.000 1.160 244 D HN 0.113 nan 8.370 nan 0.000 0.534 245 V N 1.876 121.723 119.914 -0.111 0.000 3.542 245 V HA 0.108 4.228 4.120 -0.001 0.000 0.296 245 V C 1.639 177.756 176.094 0.039 0.000 1.364 245 V CA 0.766 62.994 62.300 -0.120 0.000 1.118 245 V CB -0.433 31.221 31.823 -0.282 0.000 0.972 245 V HN 0.470 nan 8.190 nan 0.000 0.430 246 S N 1.272 116.980 115.700 0.013 0.000 2.419 246 S HA -0.024 4.445 4.470 -0.001 0.000 0.235 246 S C -0.137 174.486 174.600 0.038 0.000 1.019 246 S CA 1.420 59.638 58.200 0.029 0.000 0.982 246 S CB -1.804 61.399 63.200 0.004 0.000 0.789 246 S HN 0.587 nan 8.310 nan 0.000 0.490 247 P HA 0.060 nan 4.420 nan 0.000 0.226 247 P C 0.830 178.122 177.300 -0.013 0.000 1.146 247 P CA 0.795 63.892 63.100 -0.004 0.000 0.773 247 P CB -0.119 31.569 31.700 -0.019 0.000 0.772 248 L N -2.345 118.884 121.223 0.010 0.000 2.640 248 L HA 0.258 4.598 4.340 -0.001 0.000 0.230 248 L C 2.041 178.959 176.870 0.080 0.000 1.123 248 L CA 0.046 54.848 54.840 -0.063 0.000 0.900 248 L CB -0.352 41.514 42.059 -0.322 0.000 1.146 248 L HN -0.078 nan 8.230 nan 0.000 0.484 249 A N 0.252 123.170 122.820 0.164 0.000 2.015 249 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 249 A C 1.664 179.291 177.584 0.072 0.000 1.163 249 A CA 1.577 53.718 52.037 0.173 0.000 0.646 249 A CB -0.329 18.713 19.000 0.069 0.000 0.806 249 A HN 0.402 nan 8.150 nan 0.000 0.448 250 N N -0.729 117.986 118.700 0.025 0.000 2.235 250 N HA 0.093 4.833 4.740 -0.001 0.000 0.209 250 N C -0.658 174.833 175.510 -0.032 0.000 1.122 250 N CA 0.161 53.207 53.050 -0.006 0.000 0.845 250 N CB 0.283 38.765 38.487 -0.008 0.000 1.004 250 N HN 0.184 nan 8.380 nan 0.000 0.499 251 T N -0.025 114.497 114.554 -0.053 0.000 2.775 251 T HA 0.026 4.375 4.350 -0.001 0.000 0.287 251 T C 1.382 176.009 174.700 -0.122 0.000 0.909 251 T CA -0.154 61.892 62.100 -0.091 0.000 1.081 251 T CB 0.649 69.438 68.868 -0.132 0.000 0.891 251 T HN 0.216 nan 8.240 nan 0.000 0.544 252 S N 3.070 118.711 115.700 -0.099 0.000 2.489 252 S HA -0.030 4.440 4.470 -0.001 0.000 0.228 252 S C 1.146 175.641 174.600 -0.174 0.000 0.995 252 S CA 0.340 58.472 58.200 -0.113 0.000 0.934 252 S CB -0.282 62.887 63.200 -0.051 0.000 0.771 252 S HN 0.687 nan 8.310 nan 0.000 0.522 253 N N 0.552 119.161 118.700 -0.151 0.000 2.251 253 N HA 0.302 5.041 4.740 -0.001 0.000 0.217 253 N C -0.878 174.462 175.510 -0.283 0.000 1.124 253 N CA -0.244 52.742 53.050 -0.107 0.000 0.843 253 N CB 0.321 38.836 38.487 0.046 0.000 1.024 253 N HN 0.261 nan 8.380 nan 0.000 0.501 254 L N 0.592 121.524 121.223 -0.486 0.000 2.260 254 L HA 0.309 4.648 4.340 -0.001 0.000 0.289 254 L C -0.463 176.042 176.870 -0.608 0.000 1.057 254 L CA 0.369 54.966 54.840 -0.406 0.000 0.811 254 L CB 0.144 42.004 42.059 -0.332 0.000 1.184 254 L HN 0.027 nan 8.230 nan 0.000 0.429 255 F N 4.561 124.470 119.950 -0.068 0.000 2.778 255 F HA 0.405 4.932 4.527 -0.000 0.000 0.314 255 F C 0.383 176.146 175.800 -0.061 0.000 1.073 255 F CA -0.229 57.745 58.000 -0.044 0.000 1.218 255 F CB 0.337 39.324 39.000 -0.021 0.000 1.037 255 F HN 0.186 nan 8.300 nan 0.000 0.594 256 I N 1.621 122.215 120.570 0.041 0.000 2.466 256 I HA 0.475 4.645 4.170 -0.001 0.000 0.289 256 I C -1.394 174.601 176.117 -0.202 0.000 1.026 256 I CA -1.061 60.204 61.300 -0.059 0.000 1.078 256 I CB 2.151 40.122 38.000 -0.049 0.000 1.249 256 I HN -0.326 nan 8.210 nan 0.000 0.429 257 V N 1.964 121.743 119.914 -0.226 0.000 2.610 257 V HA 0.563 4.683 4.120 -0.001 0.000 0.298 257 V C -0.273 175.700 176.094 -0.202 0.000 1.067 257 V CA -0.544 61.585 62.300 -0.286 0.000 0.894 257 V CB 1.202 32.789 31.823 -0.392 0.000 1.015 257 V HN 0.774 nan 8.190 nan 0.000 0.432 258 T N 2.109 116.532 114.554 -0.220 0.000 2.794 258 T HA 0.827 5.177 4.350 -0.001 0.000 0.280 258 T C -0.050 174.641 174.700 -0.014 0.000 0.987 258 T CA -0.524 61.523 62.100 -0.090 0.000 0.993 258 T CB 1.746 70.573 68.868 -0.069 0.000 0.939 258 T HN 0.668 nan 8.240 nan 0.000 0.449 259 L N 1.857 123.122 121.223 0.070 0.000 3.521 259 L HA 0.228 4.568 4.340 -0.001 0.000 0.323 259 L C 0.964 177.988 176.870 0.258 0.000 1.268 259 L CA -0.606 54.329 54.840 0.158 0.000 1.064 259 L CB 0.537 42.688 42.059 0.152 0.000 1.455 259 L HN 0.911 nan 8.230 nan 0.000 0.622 260 T N -3.025 111.619 114.554 0.150 0.000 2.868 260 T HA 0.240 4.590 4.350 -0.001 0.000 0.292 260 T C 0.786 175.517 174.700 0.052 0.000 1.028 260 T CA -0.291 61.867 62.100 0.096 0.000 1.059 260 T CB 0.906 69.803 68.868 0.049 0.000 0.991 260 T HN 0.243 nan 8.240 nan 0.000 0.531 261 N N 1.181 119.863 118.700 -0.030 0.000 2.756 261 N HA -0.134 4.606 4.740 -0.001 0.000 0.248 261 N C -0.692 174.805 175.510 -0.022 0.000 1.062 261 N CA 0.453 53.468 53.050 -0.057 0.000 0.696 261 N CB -0.728 37.742 38.487 -0.028 0.000 0.946 261 N HN 0.690 nan 8.380 nan 0.000 0.548 262 Q N 0.027 119.821 119.800 -0.009 0.000 2.327 262 Q HA 0.300 4.640 4.340 -0.001 0.000 0.254 262 Q C 0.371 176.371 176.000 0.001 0.000 0.952 262 Q CA 0.405 56.248 55.803 0.067 0.000 0.884 262 Q CB 0.803 29.681 28.738 0.234 0.000 1.224 262 Q HN 0.102 nan 8.270 nan 0.000 0.422 263 T N 3.265 117.833 114.554 0.024 0.000 2.963 263 T HA 0.520 4.870 4.350 -0.001 0.000 0.343 263 T C 0.075 174.787 174.700 0.019 0.000 1.146 263 T CA -0.348 61.751 62.100 -0.002 0.000 1.016 263 T CB -0.020 68.842 68.868 -0.009 0.000 1.046 263 T HN 0.301 nan 8.240 nan 0.000 0.496 264 I N 2.866 123.446 120.570 0.017 0.000 2.336 264 I HA 0.349 4.519 4.170 -0.001 0.000 0.292 264 I C 0.370 176.486 176.117 -0.003 0.000 0.991 264 I CA -0.390 60.926 61.300 0.026 0.000 1.227 264 I CB 1.627 39.656 38.000 0.049 0.000 1.366 264 I HN 0.395 nan 8.210 nan 0.000 0.466 265 T N 5.057 119.617 114.554 0.010 0.000 2.772 265 T HA 0.361 4.710 4.350 -0.001 0.000 0.288 265 T C -0.079 174.633 174.700 0.020 0.000 0.994 265 T CA -0.777 61.327 62.100 0.006 0.000 0.951 265 T CB 0.531 69.403 68.868 0.005 0.000 0.933 265 T HN 0.361 nan 8.240 nan 0.000 0.447 266 N N 2.488 121.203 118.700 0.025 0.000 2.445 266 N HA 0.215 4.954 4.740 -0.001 0.000 0.264 266 N C 0.296 175.829 175.510 0.038 0.000 1.227 266 N CA -0.579 52.496 53.050 0.042 0.000 0.963 266 N CB 0.481 39.007 38.487 0.064 0.000 1.188 266 N HN 0.471 nan 8.380 nan 0.000 0.491 267 Q N 0.718 120.543 119.800 0.042 0.000 2.373 267 Q HA 0.300 4.640 4.340 -0.001 0.000 0.255 267 Q C -2.012 174.018 176.000 0.050 0.000 0.980 267 Q CA -1.251 54.577 55.803 0.042 0.000 0.882 267 Q CB -0.247 28.513 28.738 0.037 0.000 1.249 267 Q HN 0.327 nan 8.270 nan 0.000 0.438 268 P HA 0.005 nan 4.420 nan 0.000 0.269 268 P C -0.664 176.693 177.300 0.095 0.000 1.209 268 P CA -0.007 63.147 63.100 0.089 0.000 0.776 268 P CB 0.610 32.380 31.700 0.117 0.000 0.876 269 V N -0.432 119.554 119.914 0.121 0.000 3.126 269 V HA 0.549 4.669 4.120 -0.001 0.000 0.314 269 V C -0.589 175.692 176.094 0.313 0.000 1.138 269 V CA -1.236 61.123 62.300 0.100 0.000 1.034 269 V CB 1.475 33.326 31.823 0.047 0.000 1.075 269 V HN 0.292 nan 8.190 nan 0.000 0.442 270 F N 1.544 121.553 119.950 0.098 0.000 2.443 270 F HA 0.335 4.862 4.527 -0.001 0.000 0.353 270 F C 0.188 176.092 175.800 0.172 0.000 1.101 270 F CA -0.625 57.452 58.000 0.128 0.000 1.226 270 F CB 0.723 39.772 39.000 0.082 0.000 1.140 270 F HN 0.774 nan 8.300 nan 0.000 0.557 271 Y N 5.900 126.379 120.300 0.297 0.000 2.511 271 Y HA 0.193 4.743 4.550 -0.000 0.000 0.332 271 Y C -0.269 175.745 175.900 0.190 0.000 1.177 271 Y CA -0.870 57.358 58.100 0.214 0.000 1.422 271 Y CB 0.113 38.761 38.460 0.312 0.000 1.271 271 Y HN 0.714 nan 8.280 nan 0.000 0.550 272 N N 2.302 120.810 118.700 -0.320 0.000 3.227 272 N HA 0.109 4.848 4.740 -0.001 0.000 0.241 272 N C -0.492 174.867 175.510 -0.251 0.000 1.480 272 N CA -0.908 51.881 53.050 -0.436 0.000 0.886 272 N CB 0.705 39.116 38.487 -0.126 0.000 1.406 272 N HN 0.543 nan 8.380 nan 0.000 0.514 273 N N 0.472 119.067 118.700 -0.175 0.000 2.025 273 N HA -0.194 4.546 4.740 -0.001 0.000 0.194 273 N C 0.025 175.557 175.510 0.037 0.000 1.044 273 N CA 1.614 54.638 53.050 -0.042 0.000 0.851 273 N CB -0.343 38.129 38.487 -0.025 0.000 1.036 273 N HN 0.618 nan 8.380 nan 0.000 0.422 274 N N 0.094 118.812 118.700 0.030 0.000 2.602 274 N HA 0.147 4.887 4.740 -0.001 0.000 0.238 274 N C -1.658 173.903 175.510 0.085 0.000 1.084 274 N CA -0.413 52.671 53.050 0.056 0.000 0.952 274 N CB -0.000 38.505 38.487 0.030 0.000 1.244 274 N HN 0.216 nan 8.380 nan 0.000 0.512 275 L N 4.562 125.879 121.223 0.156 0.000 2.257 275 L HA 0.532 4.872 4.340 -0.001 0.000 0.290 275 L C -1.197 175.816 176.870 0.238 0.000 1.044 275 L CA -0.521 54.448 54.840 0.215 0.000 0.810 275 L CB 1.111 43.349 42.059 0.298 0.000 1.193 275 L HN 0.187 nan 8.230 nan 0.000 0.425 276 V N 6.063 126.075 119.914 0.164 0.000 2.444 276 V HA 0.577 4.697 4.120 -0.001 0.000 0.294 276 V C -0.611 175.564 176.094 0.134 0.000 1.022 276 V CA -0.621 61.746 62.300 0.111 0.000 0.850 276 V CB 1.847 33.693 31.823 0.038 0.000 0.992 276 V HN 0.486 nan 8.190 nan 0.000 0.426 277 V N 7.052 127.064 119.914 0.162 0.000 2.525 277 V HA 0.418 4.538 4.120 -0.001 0.000 0.299 277 V C -2.514 173.657 176.094 0.129 0.000 1.034 277 V CA -1.980 60.435 62.300 0.192 0.000 0.863 277 V CB 2.314 34.370 31.823 0.388 0.000 0.999 277 V HN 0.681 nan 8.190 nan 0.000 0.423 278 P HA 0.105 nan 4.420 nan 0.000 0.269 278 P C -0.625 176.750 177.300 0.125 0.000 1.209 278 P CA -0.130 63.017 63.100 0.077 0.000 0.776 278 P CB 0.426 32.159 31.700 0.056 0.000 0.876 279 N N 2.186 120.959 118.700 0.122 0.000 2.420 279 N HA 0.056 4.795 4.740 -0.001 0.000 0.249 279 N C 0.758 176.345 175.510 0.130 0.000 1.033 279 N CA -0.315 52.828 53.050 0.155 0.000 0.944 279 N CB 0.300 38.875 38.487 0.147 0.000 1.113 279 N HN 0.103 nan 8.380 nan 0.000 0.502 280 V N 1.560 121.565 119.914 0.151 0.000 3.380 280 V HA 0.136 4.255 4.120 -0.001 0.000 0.268 280 V C 0.476 176.591 176.094 0.035 0.000 1.168 280 V CA 0.298 62.650 62.300 0.086 0.000 1.156 280 V CB -0.594 31.280 31.823 0.086 0.000 0.785 280 V HN 0.302 nan 8.190 nan 0.000 0.487 281 V N 3.508 123.412 119.914 -0.018 0.000 2.405 281 V HA 0.389 4.509 4.120 -0.001 0.000 0.264 281 V C 0.115 176.157 176.094 -0.087 0.000 1.048 281 V CA -0.242 61.948 62.300 -0.183 0.000 0.966 281 V CB 0.279 31.744 31.823 -0.596 0.000 1.015 281 V HN 0.438 nan 8.190 nan 0.000 0.477 282 K N 3.797 124.210 120.400 0.022 0.000 2.259 282 K HA 0.635 4.954 4.320 -0.001 0.000 0.252 282 K C 0.354 177.017 176.600 0.105 0.000 0.936 282 K CA -0.349 55.966 56.287 0.047 0.000 0.810 282 K CB 2.376 34.895 32.500 0.032 0.000 1.143 282 K HN 0.666 nan 8.250 nan 0.000 0.427 283 G N 1.403 110.234 108.800 0.052 0.000 2.543 283 G HA2 0.269 4.229 3.960 -0.001 0.000 0.290 283 G HA3 0.269 4.229 3.960 -0.001 0.000 0.290 283 G C -1.720 173.130 174.900 -0.083 0.000 1.310 283 G CA -1.237 43.865 45.100 0.003 0.000 1.025 283 G HN 0.206 nan 8.290 nan 0.000 0.502 284 P HA -0.115 nan 4.420 nan 0.000 0.218 284 P C 2.134 179.371 177.300 -0.105 0.000 1.148 284 P CA 2.004 64.971 63.100 -0.221 0.000 0.822 284 P CB 0.101 31.472 31.700 -0.548 0.000 0.784 285 S N -1.907 113.736 115.700 -0.096 0.000 2.555 285 S HA 0.140 4.610 4.470 -0.001 0.000 0.230 285 S C 1.783 176.365 174.600 -0.031 0.000 0.978 285 S CA 0.855 59.022 58.200 -0.054 0.000 0.934 285 S CB -1.322 61.848 63.200 -0.050 0.000 0.766 285 S HN 0.302 nan 8.310 nan 0.000 0.533 286 G N 0.555 109.339 108.800 -0.025 0.000 2.199 286 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.254 286 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.254 286 G C 0.265 175.164 174.900 -0.002 0.000 0.982 286 G CA 0.014 45.109 45.100 -0.009 0.000 0.632 286 G HN 1.322 nan 8.290 nan 0.000 0.529 287 A N 0.817 123.634 122.820 -0.006 0.000 2.322 287 A HA 0.756 5.076 4.320 -0.001 0.000 0.269 287 A C -1.764 175.828 177.584 0.013 0.000 1.094 287 A CA -0.972 51.068 52.037 0.004 0.000 0.807 287 A CB 0.512 19.512 19.000 -0.000 0.000 1.047 287 A HN 0.161 nan 8.150 nan 0.000 0.487 288 P HA 0.216 nan 4.420 nan 0.000 0.271 288 P C -0.722 176.590 177.300 0.020 0.000 1.218 288 P CA 0.189 63.312 63.100 0.038 0.000 0.780 288 P CB 0.407 32.166 31.700 0.099 0.000 0.901 289 I N 1.555 122.097 120.570 -0.047 0.000 2.331 289 I HA 0.297 4.467 4.170 -0.001 0.000 0.292 289 I C 0.707 176.723 176.117 -0.170 0.000 0.998 289 I CA -0.866 60.382 61.300 -0.087 0.000 1.267 289 I CB 1.153 39.059 38.000 -0.156 0.000 1.386 289 I HN 0.348 nan 8.210 nan 0.000 0.476 290 A N 8.911 131.639 122.820 -0.153 0.000 2.520 290 A HA 0.344 4.664 4.320 -0.001 0.000 0.245 290 A C -2.292 175.090 177.584 -0.337 0.000 1.072 290 A CA -0.872 50.937 52.037 -0.381 0.000 0.761 290 A CB -0.597 18.321 19.000 -0.136 0.000 1.004 290 A HN 0.423 nan 8.150 nan 0.000 0.499 291 P HA 0.190 nan 4.420 nan 0.000 0.267 291 P C 0.658 177.913 177.300 -0.075 0.000 1.200 291 P CA 0.601 63.602 63.100 -0.165 0.000 0.772 291 P CB 0.905 32.431 31.700 -0.289 0.000 0.855 292 A N 2.277 125.113 122.820 0.027 0.000 1.903 292 A HA 0.132 4.452 4.320 -0.001 0.000 0.213 292 A C 0.887 178.477 177.584 0.011 0.000 1.185 292 A CA 1.754 53.797 52.037 0.009 0.000 0.628 292 A CB -0.711 18.293 19.000 0.006 0.000 0.830 292 A HN 0.613 nan 8.150 nan 0.000 0.446 293 T N -2.674 111.906 114.554 0.044 0.000 2.903 293 T HA 0.707 5.056 4.350 -0.001 0.000 0.299 293 T C -0.940 173.827 174.700 0.111 0.000 1.093 293 T CA -0.594 61.538 62.100 0.054 0.000 1.002 293 T CB 1.458 70.355 68.868 0.047 0.000 1.127 293 T HN 0.182 nan 8.240 nan 0.000 0.488 294 I N 2.419 123.052 120.570 0.106 0.000 2.533 294 I HA 0.431 4.601 4.170 -0.001 0.000 0.290 294 I C 0.679 176.943 176.117 0.245 0.000 1.056 294 I CA -1.043 60.369 61.300 0.187 0.000 1.057 294 I CB 2.488 40.498 38.000 0.016 0.000 1.240 294 I HN 0.976 nan 8.210 nan 0.000 0.423 295 S N 3.599 119.521 115.700 0.371 0.000 2.596 295 S HA 0.080 4.550 4.470 -0.001 0.000 0.260 295 S C 0.436 175.285 174.600 0.414 0.000 1.336 295 S CA -0.125 58.258 58.200 0.305 0.000 0.993 295 S CB 0.520 63.842 63.200 0.203 0.000 0.923 295 S HN 0.829 nan 8.310 nan 0.000 0.567 296 D N 0.931 121.472 120.400 0.235 0.000 2.737 296 D HA -0.283 4.357 4.640 -0.001 0.000 0.233 296 D C 0.413 176.882 176.300 0.281 0.000 1.155 296 D CA 1.103 55.242 54.000 0.231 0.000 0.667 296 D CB -1.965 38.931 40.800 0.160 0.000 1.060 296 D HN 0.935 nan 8.370 nan 0.000 0.427 297 N N -1.244 117.567 118.700 0.185 0.000 2.753 297 N HA -0.180 4.559 4.740 -0.001 0.000 0.251 297 N C 0.700 176.243 175.510 0.056 0.000 1.097 297 N CA 0.624 53.737 53.050 0.106 0.000 0.786 297 N CB -0.934 37.605 38.487 0.086 0.000 1.137 297 N HN 0.484 nan 8.380 nan 0.000 0.566 298 G N -0.143 108.674 108.800 0.027 0.000 2.636 298 G HA2 0.394 4.354 3.960 -0.001 0.000 0.246 298 G HA3 0.394 4.354 3.960 -0.001 0.000 0.246 298 G C 0.293 174.996 174.900 -0.329 0.000 1.216 298 G CA 0.746 45.594 45.100 -0.420 0.000 0.854 298 G HN 0.405 nan 8.290 nan 0.000 0.572 299 T N -2.677 111.643 114.554 -0.389 0.000 2.907 299 T HA 0.615 4.964 4.350 -0.001 0.000 0.290 299 T C -1.248 173.325 174.700 -0.212 0.000 1.066 299 T CA -0.841 61.129 62.100 -0.218 0.000 1.012 299 T CB 1.985 70.763 68.868 -0.149 0.000 1.184 299 T HN 0.625 nan 8.240 nan 0.000 0.522 300 Y N -0.070 120.072 120.300 -0.264 0.000 2.442 300 Y HA 0.619 5.169 4.550 -0.000 0.000 0.344 300 Y C -1.249 174.546 175.900 -0.175 0.000 0.976 300 Y CA -0.959 56.987 58.100 -0.257 0.000 1.040 300 Y CB 1.750 40.061 38.460 -0.247 0.000 1.228 300 Y HN 1.114 nan 8.280 nan 0.000 0.451 301 A N 4.376 126.703 122.820 -0.823 0.000 2.651 301 A HA 0.416 4.736 4.320 -0.001 0.000 0.290 301 A C -0.693 176.374 177.584 -0.861 0.000 1.185 301 A CA -0.552 51.079 52.037 -0.677 0.000 0.746 301 A CB 0.657 19.452 19.000 -0.342 0.000 1.213 301 A HN 0.710 nan 8.150 nan 0.000 0.429 302 S N 3.107 118.188 115.700 -1.031 0.000 2.702 302 S HA 0.158 4.627 4.470 -0.001 0.000 0.314 302 S C -0.759 173.656 174.600 -0.309 0.000 1.244 302 S CA 0.398 58.231 58.200 -0.611 0.000 1.058 302 S CB 0.309 63.391 63.200 -0.197 0.000 0.783 302 S HN 0.597 nan 8.310 nan 0.000 0.503 303 P HA 0.251 nan 4.420 nan 0.000 0.263 303 P C -0.825 176.426 177.300 -0.082 0.000 1.448 303 P CA -0.182 62.854 63.100 -0.107 0.000 0.983 303 P CB 0.112 31.792 31.700 -0.033 0.000 1.481 304 N N 0.496 119.056 118.700 -0.233 0.000 2.321 304 N HA 0.322 5.062 4.740 -0.001 0.000 0.299 304 N C -0.501 174.898 175.510 -0.184 0.000 1.048 304 N CA -0.547 52.419 53.050 -0.140 0.000 0.836 304 N CB 1.860 40.272 38.487 -0.125 0.000 1.269 304 N HN -0.069 nan 8.380 nan 0.000 0.486 305 L N 0.967 122.119 121.223 -0.118 0.000 2.375 305 L HA 0.416 4.756 4.340 -0.001 0.000 0.271 305 L C 0.652 177.299 176.870 -0.372 0.000 1.107 305 L CA 0.210 54.839 54.840 -0.351 0.000 0.806 305 L CB 1.044 42.713 42.059 -0.650 0.000 1.146 305 L HN 0.425 nan 8.230 nan 0.000 0.447 306 T N 1.472 115.728 114.554 -0.497 0.000 2.881 306 T HA 0.476 4.826 4.350 -0.001 0.000 0.290 306 T C -1.251 173.215 174.700 -0.390 0.000 1.000 306 T CA -0.423 61.511 62.100 -0.276 0.000 0.978 306 T CB 0.885 69.657 68.868 -0.161 0.000 0.997 306 T HN 0.288 nan 8.240 nan 0.000 0.443 307 W N 2.112 123.429 121.300 0.028 0.000 2.761 307 W HA 0.460 5.120 4.660 -0.001 0.000 0.340 307 W C -0.041 176.500 176.519 0.038 0.000 1.072 307 W CA -0.790 56.577 57.345 0.038 0.000 1.215 307 W CB 1.768 31.261 29.460 0.055 0.000 1.420 307 W HN 0.507 nan 8.180 nan 0.000 0.519 308 N N 2.703 121.552 118.700 0.248 0.000 2.706 308 N HA 0.401 5.141 4.740 -0.001 0.000 0.240 308 N C -1.408 174.205 175.510 0.171 0.000 1.039 308 N CA -0.022 53.123 53.050 0.158 0.000 0.888 308 N CB 0.346 38.890 38.487 0.094 0.000 1.128 308 N HN 0.264 nan 8.380 nan 0.000 0.512 309 L N 1.336 122.669 121.223 0.184 0.000 2.334 309 L HA 0.538 4.878 4.340 -0.001 0.000 0.272 309 L C 1.054 178.037 176.870 0.189 0.000 1.020 309 L CA -0.526 54.434 54.840 0.200 0.000 0.812 309 L CB 1.956 44.181 42.059 0.278 0.000 1.264 309 L HN 0.594 nan 8.230 nan 0.000 0.439 310 T N -3.957 110.710 114.554 0.189 0.000 3.016 310 T HA 0.133 4.483 4.350 -0.001 0.000 0.271 310 T C 0.289 175.127 174.700 0.230 0.000 0.968 310 T CA -0.236 61.967 62.100 0.171 0.000 0.891 310 T CB 0.466 69.399 68.868 0.108 0.000 1.149 310 T HN 0.401 nan 8.240 nan 0.000 0.524 311 S N 0.345 116.189 115.700 0.240 0.000 2.569 311 S HA 0.690 5.160 4.470 -0.001 0.000 0.280 311 S C -1.424 173.176 174.600 -0.000 0.000 1.111 311 S CA -0.910 57.395 58.200 0.174 0.000 0.887 311 S CB 1.304 64.551 63.200 0.077 0.000 1.095 311 S HN 0.345 nan 8.310 nan 0.000 0.476 312 F N 4.306 124.048 119.950 -0.346 0.000 2.412 312 F HA 0.698 5.224 4.527 -0.001 0.000 0.348 312 F C -0.639 174.889 175.800 -0.454 0.000 1.102 312 F CA -0.064 57.409 58.000 -0.877 0.000 1.196 312 F CB 0.333 38.894 39.000 -0.732 0.000 1.144 312 F HN 0.496 nan 8.300 nan 0.000 0.541 313 I N 5.220 124.940 120.570 -1.416 0.000 2.828 313 I HA 0.248 4.418 4.170 -0.001 0.000 0.302 313 I C 0.649 176.002 176.117 -1.273 0.000 1.101 313 I CA -0.965 59.759 61.300 -0.960 0.000 1.031 313 I CB 1.925 39.610 38.000 -0.524 0.000 1.231 313 I HN 0.534 nan 8.210 nan 0.000 0.427 314 N N 2.597 120.886 118.700 -0.686 0.000 2.149 314 N HA -0.128 4.611 4.740 -0.001 0.000 0.188 314 N C -0.166 175.147 175.510 -0.329 0.000 1.019 314 N CA 1.381 54.192 53.050 -0.399 0.000 0.857 314 N CB -0.506 37.878 38.487 -0.172 0.000 0.997 314 N HN 0.823 nan 8.380 nan 0.000 0.426 315 N N -2.084 116.415 118.700 -0.335 0.000 3.227 315 N HA 0.337 5.076 4.740 -0.001 0.000 0.241 315 N C -1.197 174.113 175.510 -0.333 0.000 1.480 315 N CA -0.867 52.016 53.050 -0.280 0.000 0.886 315 N CB 1.437 39.819 38.487 -0.175 0.000 1.406 315 N HN -0.165 nan 8.380 nan 0.000 0.514 316 V N -3.146 116.529 119.914 -0.398 0.000 3.113 316 V HA 1.026 5.146 4.120 -0.001 0.000 0.316 316 V C -0.237 175.715 176.094 -0.236 0.000 1.125 316 V CA -0.288 61.704 62.300 -0.514 0.000 1.026 316 V CB 1.141 32.163 31.823 -1.334 0.000 1.080 316 V HN 1.360 nan 8.190 nan 0.000 0.444 317 S N 0.652 116.357 115.700 0.008 0.000 2.615 317 S HA 0.890 5.359 4.470 -0.001 0.000 0.269 317 S C -1.293 173.560 174.600 0.421 0.000 1.161 317 S CA -0.421 57.875 58.200 0.161 0.000 0.817 317 S CB 1.752 64.963 63.200 0.018 0.000 1.131 317 S HN 2.324 nan 8.310 nan 0.000 0.467 318 Y N -1.666 118.743 120.300 0.181 0.000 2.638 318 Y HA 0.839 5.389 4.550 -0.000 0.000 0.335 318 Y C -0.612 175.343 175.900 0.091 0.000 1.155 318 Y CA -0.560 57.629 58.100 0.148 0.000 1.046 318 Y CB 0.928 39.485 38.460 0.162 0.000 1.303 318 Y HN 1.061 nan 8.280 nan 0.000 0.460 319 T N 0.106 114.768 114.554 0.180 0.000 2.932 319 T HA 0.847 5.197 4.350 -0.001 0.000 0.289 319 T C -1.112 173.673 174.700 0.143 0.000 1.039 319 T CA -0.625 61.483 62.100 0.013 0.000 1.024 319 T CB 1.787 70.610 68.868 -0.075 0.000 1.090 319 T HN 1.078 nan 8.240 nan 0.000 0.496 320 F N -0.618 119.276 119.950 -0.093 0.000 2.613 320 F HA 0.862 5.388 4.527 -0.000 0.000 0.310 320 F C -1.123 174.584 175.800 -0.156 0.000 1.085 320 F CA -1.178 56.748 58.000 -0.124 0.000 0.945 320 F CB 1.712 40.606 39.000 -0.176 0.000 1.298 320 F HN 0.698 nan 8.300 nan 0.000 0.455 321 N N 1.872 120.570 118.700 -0.003 0.000 2.812 321 N HA 0.203 4.942 4.740 -0.001 0.000 0.262 321 N C -2.218 173.322 175.510 0.050 0.000 1.241 321 N CA -0.157 52.867 53.050 -0.043 0.000 0.854 321 N CB 1.585 40.016 38.487 -0.093 0.000 1.506 321 N HN 0.970 nan 8.380 nan 0.000 0.576 322 Q N 1.364 121.231 119.800 0.112 0.000 2.359 322 Q HA 0.530 4.870 4.340 -0.001 0.000 0.274 322 Q C -1.023 175.055 176.000 0.130 0.000 1.074 322 Q CA -0.632 55.235 55.803 0.107 0.000 0.810 322 Q CB 1.425 30.228 28.738 0.108 0.000 1.342 322 Q HN 0.483 nan 8.270 nan 0.000 0.427 323 S N 1.797 117.546 115.700 0.083 0.000 2.488 323 S HA 0.310 4.780 4.470 -0.001 0.000 0.278 323 S C -0.183 174.446 174.600 0.048 0.000 1.259 323 S CA -0.520 57.724 58.200 0.072 0.000 1.061 323 S CB 0.242 63.468 63.200 0.043 0.000 0.910 323 S HN 0.423 nan 8.310 nan 0.000 0.491 324 V N 1.559 121.492 119.914 0.033 0.000 2.815 324 V HA 0.762 4.881 4.120 -0.001 0.000 0.314 324 V C -0.130 175.831 176.094 -0.222 0.000 1.064 324 V CA -0.726 61.505 62.300 -0.115 0.000 0.952 324 V CB 1.907 33.621 31.823 -0.182 0.000 1.020 324 V HN 0.614 nan 8.190 nan 0.000 0.439 325 T N 4.520 118.883 114.554 -0.319 0.000 2.772 325 T HA 0.666 5.016 4.350 -0.001 0.000 0.288 325 T C -0.553 173.916 174.700 -0.385 0.000 0.994 325 T CA 0.145 62.100 62.100 -0.241 0.000 0.951 325 T CB 0.366 69.161 68.868 -0.123 0.000 0.933 325 T HN 0.501 nan 8.240 nan 0.000 0.447 326 F N 1.293 121.209 119.950 -0.057 0.000 2.272 326 F HA 0.467 4.993 4.527 -0.000 0.000 0.316 326 F C 1.898 177.645 175.800 -0.089 0.000 1.068 326 F CA -1.078 56.872 58.000 -0.083 0.000 1.114 326 F CB 0.367 39.301 39.000 -0.111 0.000 1.611 326 F HN 0.268 nan 8.300 nan 0.000 0.519 327 K N 0.436 120.899 120.400 0.106 0.000 2.044 327 K HA -0.153 4.167 4.320 -0.001 0.000 0.210 327 K C 1.378 177.955 176.600 -0.039 0.000 1.049 327 K CA 1.851 58.135 56.287 -0.005 0.000 0.927 327 K CB -0.289 32.180 32.500 -0.052 0.000 0.713 327 K HN 0.430 nan 8.250 nan 0.000 0.443 328 N N -1.674 116.973 118.700 -0.088 0.000 2.511 328 N HA -0.004 4.736 4.740 -0.001 0.000 0.190 328 N C 0.648 176.165 175.510 0.011 0.000 1.037 328 N CA 0.642 53.636 53.050 -0.093 0.000 0.895 328 N CB 0.247 38.517 38.487 -0.362 0.000 1.149 328 N HN 0.125 nan 8.380 nan 0.000 0.437 329 T N -0.999 113.576 114.554 0.035 0.000 2.773 329 T HA 0.410 4.760 4.350 -0.001 0.000 0.278 329 T C -1.080 173.688 174.700 0.115 0.000 1.011 329 T CA -0.431 61.720 62.100 0.084 0.000 1.014 329 T CB 1.674 70.605 68.868 0.106 0.000 1.293 329 T HN 0.010 nan 8.240 nan 0.000 0.554 330 T N 0.978 115.591 114.554 0.098 0.000 2.861 330 T HA 0.721 5.071 4.350 -0.001 0.000 0.287 330 T C -1.006 173.758 174.700 0.106 0.000 1.003 330 T CA -0.280 61.872 62.100 0.087 0.000 0.977 330 T CB 0.547 69.438 68.868 0.038 0.000 0.996 330 T HN 0.824 nan 8.240 nan 0.000 0.448 331 V N 1.900 121.894 119.914 0.133 0.000 3.206 331 V HA 0.891 5.011 4.120 -0.001 0.000 0.305 331 V C -3.074 173.108 176.094 0.146 0.000 1.257 331 V CA -2.766 59.613 62.300 0.132 0.000 1.057 331 V CB 1.794 33.705 31.823 0.146 0.000 1.075 331 V HN 0.708 nan 8.190 nan 0.000 0.443 332 P HA 0.381 nan 4.420 nan 0.000 0.281 332 P C -1.386 176.077 177.300 0.273 0.000 1.252 332 P CA 0.183 63.381 63.100 0.163 0.000 0.778 332 P CB 0.579 32.342 31.700 0.105 0.000 0.895 333 F N 3.594 123.617 119.950 0.121 0.000 2.477 333 F HA 0.563 5.090 4.527 -0.001 0.000 0.335 333 F C -0.646 175.285 175.800 0.217 0.000 1.130 333 F CA -0.881 57.236 58.000 0.195 0.000 0.948 333 F CB 1.230 40.366 39.000 0.227 0.000 1.154 333 F HN 0.425 nan 8.300 nan 0.000 0.439 334 S N 3.776 119.466 115.700 -0.016 0.000 2.570 334 S HA 1.016 5.486 4.470 -0.001 0.000 0.270 334 S C -0.702 173.320 174.600 -0.963 0.000 1.149 334 S CA -0.176 57.652 58.200 -0.620 0.000 0.837 334 S CB 1.707 64.725 63.200 -0.304 0.000 1.124 334 S HN 1.507 nan 8.310 nan 0.000 0.465 335 G N 0.199 108.011 108.800 -1.646 0.000 2.321 335 G HA2 0.530 4.489 3.960 -0.001 0.000 0.296 335 G HA3 0.530 4.489 3.960 -0.001 0.000 0.296 335 G C -1.612 172.794 174.900 -0.823 0.000 1.287 335 G CA -0.438 44.061 45.100 -1.001 0.000 0.846 335 G HN 0.944 nan 8.290 nan 0.000 0.508 336 T N 0.066 114.411 114.554 -0.349 0.000 2.848 336 T HA 0.599 4.949 4.350 -0.001 0.000 0.285 336 T C -0.618 173.989 174.700 -0.156 0.000 0.995 336 T CA -0.348 61.619 62.100 -0.222 0.000 0.970 336 T CB 1.817 70.590 68.868 -0.158 0.000 0.976 336 T HN 0.621 nan 8.240 nan 0.000 0.441 337 V N 3.564 123.296 119.914 -0.303 0.000 2.398 337 V HA 0.484 4.603 4.120 -0.001 0.000 0.286 337 V C 0.279 176.235 176.094 -0.230 0.000 1.026 337 V CA -0.566 61.529 62.300 -0.341 0.000 0.868 337 V CB 1.663 33.011 31.823 -0.792 0.000 0.982 337 V HN 0.967 nan 8.190 nan 0.000 0.443 338 T N 4.440 118.930 114.554 -0.107 0.000 2.794 338 T HA 0.398 4.748 4.350 -0.001 0.000 0.280 338 T C -0.399 174.284 174.700 -0.029 0.000 0.987 338 T CA -0.332 61.731 62.100 -0.062 0.000 0.993 338 T CB 1.408 70.243 68.868 -0.055 0.000 0.939 338 T HN 0.644 nan 8.240 nan 0.000 0.449 339 Q N 4.272 124.051 119.800 -0.034 0.000 2.431 339 Q HA 0.376 4.716 4.340 -0.001 0.000 0.249 339 Q C -2.738 173.220 176.000 -0.071 0.000 1.025 339 Q CA -2.317 53.471 55.803 -0.025 0.000 0.835 339 Q CB 0.842 29.568 28.738 -0.020 0.000 1.207 339 Q HN 0.227 nan 8.270 nan 0.000 0.490 340 P HA 0.104 nan 4.420 nan 0.000 0.268 340 P C -0.947 176.355 177.300 0.004 0.000 1.205 340 P CA 0.135 63.220 63.100 -0.024 0.000 0.771 340 P CB 0.662 32.370 31.700 0.014 0.000 0.858 341 L N 1.951 123.172 121.223 -0.005 0.000 2.362 341 L HA 0.510 4.850 4.340 -0.001 0.000 0.271 341 L C 0.275 177.291 176.870 0.244 0.000 1.002 341 L CA -0.487 54.406 54.840 0.088 0.000 0.818 341 L CB 2.186 44.220 42.059 -0.041 0.000 1.298 341 L HN 0.217 nan 8.230 nan 0.000 0.420 342 T N 1.471 116.230 114.554 0.341 0.000 2.823 342 T HA 0.417 4.767 4.350 -0.001 0.000 0.279 342 T C -0.415 174.455 174.700 0.283 0.000 0.998 342 T CA -0.610 61.671 62.100 0.302 0.000 0.994 342 T CB 1.697 70.725 68.868 0.266 0.000 0.960 342 T HN 0.703 nan 8.240 nan 0.000 0.448 343 E N 0.000 120.238 120.200 0.063 0.000 2.725 343 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 343 E CA 0.000 56.321 56.400 -0.132 0.000 0.976 343 E CB 0.000 29.302 29.700 -0.664 0.000 0.812 343 E HN 0.000 nan 8.360 nan 0.000 0.440