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 1rf6_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.264 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.072 0.000 0.988 1 M CB 0.000 32.523 32.600 -0.128 0.000 1.302 2 K N 2.180 122.539 120.400 -0.067 0.000 2.262 2 K HA 0.666 4.986 4.320 -0.000 0.000 0.282 2 K C -1.464 175.106 176.600 -0.051 0.000 1.066 2 K CA -0.508 55.754 56.287 -0.043 0.000 0.901 2 K CB 0.820 33.300 32.500 -0.034 0.000 1.089 2 K HN 0.735 nan 8.250 nan 0.000 0.476 3 L N 3.210 124.427 121.223 -0.010 0.000 2.399 3 L HA 0.269 4.609 4.340 -0.000 0.000 0.266 3 L C 0.239 177.129 176.870 0.032 0.000 1.114 3 L CA -0.902 53.952 54.840 0.024 0.000 0.804 3 L CB 0.805 42.915 42.059 0.084 0.000 1.146 3 L HN 0.549 nan 8.230 nan 0.000 0.451 4 K N 1.843 122.274 120.400 0.052 0.000 2.412 4 K HA 0.166 4.486 4.320 -0.000 0.000 0.281 4 K C -0.213 176.421 176.600 0.057 0.000 1.027 4 K CA -0.003 56.314 56.287 0.049 0.000 0.989 4 K CB 0.577 33.114 32.500 0.061 0.000 0.935 4 K HN 0.715 nan 8.250 nan 0.000 0.475 5 T N 1.052 115.633 114.554 0.045 0.000 2.883 5 T HA 0.424 4.774 4.350 -0.000 0.000 0.284 5 T C 0.622 175.347 174.700 0.042 0.000 1.041 5 T CA -0.036 62.090 62.100 0.044 0.000 1.007 5 T CB 1.214 70.106 68.868 0.040 0.000 1.220 5 T HN 0.715 nan 8.240 nan 0.000 0.552 6 N N -0.376 118.347 118.700 0.039 0.000 3.797 6 N HA -0.277 4.463 4.740 -0.000 0.000 0.211 6 N C 0.039 175.570 175.510 0.036 0.000 0.241 6 N CA 2.071 55.143 53.050 0.035 0.000 2.596 6 N CB -1.805 36.705 38.487 0.037 0.000 1.344 6 N HN 1.786 nan 8.380 nan 0.000 0.365 7 I N 0.149 120.746 120.570 0.045 0.000 6.173 7 I HA -0.264 3.906 4.170 -0.000 0.000 0.126 7 I C 0.612 176.753 176.117 0.040 0.000 1.365 7 I CA 0.938 62.269 61.300 0.052 0.000 2.531 7 I CB 0.201 38.229 38.000 0.046 0.000 2.545 7 I HN 0.478 nan 8.210 nan 0.000 0.297 8 R N 4.521 125.072 120.500 0.086 0.000 2.282 8 R HA 0.285 4.625 4.340 -0.000 0.000 0.195 8 R C -0.140 176.042 176.300 -0.197 0.000 0.909 8 R CA 0.552 56.660 56.100 0.013 0.000 1.039 8 R CB -0.102 30.279 30.300 0.136 0.000 1.015 8 R HN 0.782 nan 8.270 nan 0.000 0.513 9 H N -0.942 118.105 119.070 -0.039 0.000 2.894 9 H HA 0.526 5.082 4.556 -0.000 0.000 0.367 9 H C -0.969 174.216 175.328 -0.239 0.000 1.144 9 H CA -0.515 55.452 56.048 -0.135 0.000 1.180 9 H CB 2.146 31.898 29.762 -0.017 0.000 1.758 9 H HN -0.197 nan 8.280 nan 0.000 0.541 10 L N 3.942 124.939 121.223 -0.378 0.000 2.406 10 L HA 0.421 4.761 4.340 -0.000 0.000 0.270 10 L C -1.057 175.499 176.870 -0.522 0.000 0.982 10 L CA -0.496 54.157 54.840 -0.312 0.000 0.843 10 L CB 0.879 42.851 42.059 -0.144 0.000 1.225 10 L HN 0.637 nan 8.230 nan 0.000 0.412 11 H N 2.169 121.225 119.070 -0.024 0.000 2.894 11 H HA 0.834 5.390 4.556 -0.000 0.000 0.367 11 H C -0.072 175.202 175.328 -0.091 0.000 1.144 11 H CA -0.660 55.369 56.048 -0.032 0.000 1.180 11 H CB 2.638 32.403 29.762 0.004 0.000 1.758 11 H HN 0.725 nan 8.280 nan 0.000 0.541 12 G N 1.165 109.993 108.800 0.048 0.000 2.347 12 G HA2 0.129 4.089 3.960 -0.000 0.000 0.321 12 G HA3 0.129 4.089 3.960 -0.000 0.000 0.321 12 G C -1.559 173.302 174.900 -0.064 0.000 1.412 12 G CA -1.019 44.059 45.100 -0.037 0.000 0.990 12 G HN 0.450 nan 8.290 nan 0.000 0.637 13 I N 0.776 121.306 120.570 -0.067 0.000 2.392 13 I HA 0.549 4.719 4.170 -0.000 0.000 0.295 13 I C -0.215 175.838 176.117 -0.107 0.000 0.985 13 I CA -0.924 60.338 61.300 -0.063 0.000 1.221 13 I CB 1.553 39.535 38.000 -0.030 0.000 1.366 13 I HN 0.242 nan 8.210 nan 0.000 0.467 14 I N 5.617 126.119 120.570 -0.113 0.000 2.582 14 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 14 I C -0.317 175.779 176.117 -0.035 0.000 1.066 14 I CA -0.672 60.547 61.300 -0.136 0.000 1.053 14 I CB 2.100 39.903 38.000 -0.328 0.000 1.241 14 I HN 0.559 nan 8.210 nan 0.000 0.421 15 R N 4.668 125.167 120.500 -0.001 0.000 2.312 15 R HA 0.442 4.782 4.340 -0.000 0.000 0.310 15 R C -0.237 176.096 176.300 0.055 0.000 1.064 15 R CA -0.574 55.543 56.100 0.028 0.000 0.983 15 R CB 1.585 31.897 30.300 0.020 0.000 1.139 15 R HN 0.524 nan 8.270 nan 0.000 0.536 16 V N 0.903 120.865 119.914 0.080 0.000 3.032 16 V HA 0.191 4.311 4.120 -0.000 0.000 0.307 16 V C -1.522 174.545 176.094 -0.044 0.000 1.097 16 V CA -1.380 60.947 62.300 0.045 0.000 1.191 16 V CB -0.211 31.650 31.823 0.063 0.000 0.964 16 V HN 0.524 nan 8.190 nan 0.000 0.494 17 P HA 0.195 nan 4.420 nan 0.000 0.271 17 P C 0.461 177.708 177.300 -0.088 0.000 1.244 17 P CA 0.273 63.314 63.100 -0.099 0.000 0.793 17 P CB 0.171 31.795 31.700 -0.128 0.000 0.984 18 G N 0.204 108.972 108.800 -0.053 0.000 2.630 18 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.236 18 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.236 18 G C -0.055 174.807 174.900 -0.063 0.000 1.248 18 G CA -0.251 44.821 45.100 -0.047 0.000 0.844 18 G HN 0.616 nan 8.290 nan 0.000 0.588 19 D N 0.581 120.945 120.400 -0.059 0.000 2.401 19 D HA -0.010 4.630 4.640 -0.000 0.000 0.254 19 D C 1.269 177.525 176.300 -0.074 0.000 1.192 19 D CA -0.066 53.893 54.000 -0.068 0.000 0.885 19 D CB 0.820 41.557 40.800 -0.105 0.000 1.147 19 D HN 0.468 nan 8.370 nan 0.000 0.478 20 K N 2.139 122.512 120.400 -0.046 0.000 2.026 20 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 20 K C 1.910 178.524 176.600 0.023 0.000 1.048 20 K CA 1.234 57.490 56.287 -0.053 0.000 0.929 20 K CB 0.092 32.605 32.500 0.022 0.000 0.713 20 K HN 0.260 nan 8.250 nan 0.000 0.439 21 S N 0.776 116.525 115.700 0.082 0.000 2.368 21 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 21 S C 1.859 176.505 174.600 0.076 0.000 1.030 21 S CA 1.410 59.701 58.200 0.151 0.000 0.999 21 S CB -0.225 63.070 63.200 0.160 0.000 0.844 21 S HN 0.285 nan 8.310 nan 0.000 0.459 22 I N 0.995 121.506 120.570 -0.099 0.000 2.353 22 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 22 I C 2.339 178.465 176.117 0.015 0.000 1.119 22 I CA 0.656 61.912 61.300 -0.072 0.000 1.417 22 I CB -0.320 37.578 38.000 -0.170 0.000 1.078 22 I HN 0.197 nan 8.210 nan 0.000 0.421 23 S N -0.266 115.415 115.700 -0.032 0.000 2.356 23 S HA -0.228 4.242 4.470 -0.000 0.000 0.223 23 S C 1.877 176.459 174.600 -0.030 0.000 1.032 23 S CA 1.387 59.553 58.200 -0.057 0.000 1.005 23 S CB -0.473 62.643 63.200 -0.140 0.000 0.867 23 S HN 0.495 nan 8.310 nan 0.000 0.449 24 H N 0.958 120.040 119.070 0.019 0.000 2.289 24 H HA -0.020 4.536 4.556 -0.000 0.000 0.296 24 H C 2.499 177.834 175.328 0.011 0.000 1.091 24 H CA 1.700 57.761 56.048 0.021 0.000 1.274 24 H CB 0.003 29.791 29.762 0.043 0.000 1.364 24 H HN 0.210 nan 8.280 nan 0.000 0.490 25 R N 0.233 120.867 120.500 0.224 0.000 2.120 25 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 25 R C 2.619 179.048 176.300 0.214 0.000 1.123 25 R CA 1.289 57.541 56.100 0.253 0.000 0.975 25 R CB -0.140 30.413 30.300 0.422 0.000 0.866 25 R HN 0.402 nan 8.270 nan 0.000 0.446 26 S N 0.732 116.514 115.700 0.136 0.000 2.382 26 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 26 S C 1.967 176.568 174.600 0.001 0.000 1.027 26 S CA 0.819 59.090 58.200 0.119 0.000 0.991 26 S CB -0.147 63.121 63.200 0.113 0.000 0.823 26 S HN 0.084 nan 8.310 nan 0.000 0.469 27 I N 1.940 122.458 120.570 -0.087 0.000 2.353 27 I HA 0.015 4.185 4.170 -0.000 0.000 0.248 27 I C 2.408 178.180 176.117 -0.575 0.000 1.119 27 I CA 0.700 61.850 61.300 -0.250 0.000 1.417 27 I CB -1.211 36.669 38.000 -0.200 0.000 1.078 27 I HN 0.340 nan 8.210 nan 0.000 0.421 28 I N -0.095 120.135 120.570 -0.566 0.000 2.193 28 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 28 I C 2.506 178.220 176.117 -0.673 0.000 1.084 28 I CA 1.469 62.267 61.300 -0.836 0.000 1.365 28 I CB -0.444 37.091 38.000 -0.775 0.000 1.064 28 I HN -0.005 nan 8.210 nan 0.000 0.410 29 F N 0.946 120.592 119.950 -0.506 0.000 2.171 29 F HA -0.124 4.403 4.527 -0.000 0.000 0.300 29 F C 2.561 178.040 175.800 -0.536 0.000 1.090 29 F CA 1.451 59.043 58.000 -0.679 0.000 1.293 29 F CB -0.909 37.238 39.000 -1.421 0.000 1.013 29 F HN 0.040 nan 8.300 nan 0.000 0.486 30 G N -1.152 107.550 108.800 -0.164 0.000 2.432 30 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 30 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 30 G C 1.788 176.664 174.900 -0.041 0.000 1.135 30 G CA 1.145 46.279 45.100 0.058 0.000 0.767 30 G HN 0.335 nan 8.290 nan 0.000 0.550 31 S N 0.187 115.749 115.700 -0.231 0.000 2.377 31 S HA 0.102 4.572 4.470 -0.000 0.000 0.223 31 S C 2.210 176.770 174.600 -0.068 0.000 1.030 31 S CA 0.409 58.496 58.200 -0.188 0.000 0.970 31 S CB -0.151 62.791 63.200 -0.431 0.000 0.830 31 S HN 0.281 nan 8.310 nan 0.000 0.473 32 L N 1.063 122.221 121.223 -0.108 0.000 2.291 32 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 32 L C 1.327 178.228 176.870 0.053 0.000 1.120 32 L CA 0.014 54.838 54.840 -0.026 0.000 0.799 32 L CB -0.605 41.406 42.059 -0.081 0.000 0.925 32 L HN 0.202 nan 8.230 nan 0.000 0.446 33 A N 0.340 123.218 122.820 0.097 0.000 2.296 33 A HA 0.238 4.558 4.320 -0.000 0.000 0.264 33 A C 0.065 177.728 177.584 0.133 0.000 1.097 33 A CA -0.261 51.885 52.037 0.182 0.000 0.811 33 A CB 0.227 19.439 19.000 0.355 0.000 1.072 33 A HN 0.214 nan 8.150 nan 0.000 0.495 34 E N -0.417 119.861 120.200 0.129 0.000 2.191 34 E HA 0.509 4.859 4.350 -0.000 0.000 0.278 34 E C 0.330 176.982 176.600 0.086 0.000 0.972 34 E CA 0.360 56.815 56.400 0.091 0.000 0.804 34 E CB 1.399 31.144 29.700 0.076 0.000 1.110 34 E HN 1.344 nan 8.360 nan 0.000 0.394 35 G N 2.364 111.205 108.800 0.068 0.000 2.631 35 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.504 35 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.504 35 G C -0.769 174.168 174.900 0.062 0.000 1.306 35 G CA -0.702 44.431 45.100 0.056 0.000 0.897 35 G HN 0.594 nan 8.290 nan 0.000 0.520 36 E N -0.688 119.540 120.200 0.048 0.000 2.277 36 E HA 0.637 4.987 4.350 -0.000 0.000 0.274 36 E C -0.414 176.220 176.600 0.056 0.000 1.022 36 E CA -0.265 56.163 56.400 0.046 0.000 0.853 36 E CB 0.980 30.699 29.700 0.031 0.000 1.086 36 E HN 0.488 nan 8.360 nan 0.000 0.397 37 T N 3.657 118.252 114.554 0.068 0.000 2.848 37 T HA 0.411 4.761 4.350 -0.000 0.000 0.285 37 T C -1.317 173.410 174.700 0.045 0.000 0.995 37 T CA -0.845 61.309 62.100 0.090 0.000 0.970 37 T CB 1.132 70.124 68.868 0.206 0.000 0.976 37 T HN 0.266 nan 8.240 nan 0.000 0.441 38 K N 1.810 122.234 120.400 0.039 0.000 2.292 38 K HA 0.716 5.036 4.320 -0.000 0.000 0.257 38 K C -1.085 175.473 176.600 -0.071 0.000 0.940 38 K CA -0.665 55.587 56.287 -0.058 0.000 0.811 38 K CB 1.945 34.431 32.500 -0.023 0.000 1.120 38 K HN 0.303 nan 8.250 nan 0.000 0.428 39 V N 3.704 123.490 119.914 -0.214 0.000 2.409 39 V HA 0.419 4.539 4.120 -0.000 0.000 0.291 39 V C -1.105 174.814 176.094 -0.292 0.000 1.020 39 V CA -0.928 61.305 62.300 -0.112 0.000 0.848 39 V CB 0.467 32.268 31.823 -0.037 0.000 0.990 39 V HN 0.569 nan 8.190 nan 0.000 0.430 40 Y N 2.054 122.357 120.300 0.006 0.000 2.387 40 Y HA 0.447 4.997 4.550 -0.000 0.000 0.336 40 Y C 0.874 176.772 175.900 -0.002 0.000 1.067 40 Y CA -0.953 57.147 58.100 0.001 0.000 1.114 40 Y CB 1.088 39.546 38.460 -0.003 0.000 1.208 40 Y HN 0.772 nan 8.280 nan 0.000 0.458 41 D N 0.687 121.156 120.400 0.115 0.000 2.837 41 D HA -0.259 4.381 4.640 -0.000 0.000 0.230 41 D C -0.052 176.263 176.300 0.025 0.000 1.152 41 D CA 0.616 54.655 54.000 0.064 0.000 0.736 41 D CB -0.994 39.849 40.800 0.071 0.000 1.084 41 D HN 0.544 nan 8.370 nan 0.000 0.429 42 I N 0.348 120.920 120.570 0.003 0.000 2.892 42 I HA -0.022 4.148 4.170 -0.000 0.000 0.287 42 I C 0.825 176.923 176.117 -0.030 0.000 1.205 42 I CA -0.238 61.050 61.300 -0.021 0.000 1.409 42 I CB 0.595 38.572 38.000 -0.038 0.000 1.367 42 I HN 0.075 nan 8.210 nan 0.000 0.597 43 L N 6.987 128.178 121.223 -0.054 0.000 2.360 43 L HA 0.195 4.535 4.340 -0.000 0.000 0.276 43 L C 0.517 177.353 176.870 -0.055 0.000 1.121 43 L CA -0.433 54.371 54.840 -0.059 0.000 0.845 43 L CB 0.217 42.221 42.059 -0.092 0.000 1.143 43 L HN 0.678 nan 8.230 nan 0.000 0.452 44 R N 3.991 124.477 120.500 -0.023 0.000 2.480 44 R HA 0.189 4.529 4.340 -0.000 0.000 0.277 44 R C 0.442 176.739 176.300 -0.006 0.000 1.008 44 R CA -0.055 56.038 56.100 -0.012 0.000 1.090 44 R CB 0.025 30.331 30.300 0.011 0.000 1.234 44 R HN 0.734 nan 8.270 nan 0.000 0.549 45 G N 0.534 109.321 108.800 -0.022 0.000 2.554 45 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.238 45 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.238 45 G C 0.889 175.773 174.900 -0.026 0.000 1.259 45 G CA -0.382 44.709 45.100 -0.014 0.000 0.843 45 G HN 0.081 nan 8.290 nan 0.000 0.582 46 E N 0.567 120.760 120.200 -0.013 0.000 2.118 46 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 46 E C 1.842 178.436 176.600 -0.011 0.000 0.992 46 E CA 1.322 57.717 56.400 -0.009 0.000 0.804 46 E CB 0.021 29.718 29.700 -0.005 0.000 0.741 46 E HN 0.546 nan 8.360 nan 0.000 0.458 47 D N -0.336 120.054 120.400 -0.016 0.000 2.123 47 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 47 D C 2.008 178.361 176.300 0.088 0.000 0.992 47 D CA 0.886 54.919 54.000 0.055 0.000 0.833 47 D CB -0.122 40.729 40.800 0.086 0.000 0.954 47 D HN 0.065 nan 8.370 nan 0.000 0.455 48 V N 0.434 120.284 119.914 -0.107 0.000 2.548 48 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 48 V C 2.276 178.351 176.094 -0.031 0.000 1.055 48 V CA 0.767 62.952 62.300 -0.192 0.000 1.065 48 V CB -0.230 31.433 31.823 -0.267 0.000 0.681 48 V HN 0.141 nan 8.190 nan 0.000 0.462 49 L N 0.073 121.285 121.223 -0.018 0.000 2.131 49 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 49 L C 2.582 179.465 176.870 0.022 0.000 1.092 49 L CA 1.810 56.652 54.840 0.003 0.000 0.759 49 L CB -1.017 41.043 42.059 0.001 0.000 0.903 49 L HN 0.272 nan 8.230 nan 0.000 0.435 50 S N -1.481 114.235 115.700 0.026 0.000 2.368 50 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 50 S C 1.953 176.582 174.600 0.048 0.000 1.029 50 S CA 1.631 59.839 58.200 0.014 0.000 0.988 50 S CB -0.371 62.825 63.200 -0.007 0.000 0.838 50 S HN 0.473 nan 8.310 nan 0.000 0.462 51 T N 2.691 117.318 114.554 0.122 0.000 2.720 51 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 51 T C 1.841 176.691 174.700 0.250 0.000 1.037 51 T CA 1.251 63.476 62.100 0.208 0.000 1.144 51 T CB -0.329 68.743 68.868 0.340 0.000 0.864 51 T HN 0.307 nan 8.240 nan 0.000 0.444 52 M N 0.597 120.289 119.600 0.152 0.000 2.086 52 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 52 M C 2.613 178.991 176.300 0.130 0.000 1.067 52 M CA 1.556 56.937 55.300 0.135 0.000 1.116 52 M CB -0.392 32.241 32.600 0.055 0.000 1.348 52 M HN 0.125 nan 8.290 nan 0.000 0.407 53 Q N 0.486 120.329 119.800 0.072 0.000 2.124 53 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 53 Q C 1.747 177.758 176.000 0.018 0.000 0.977 53 Q CA 1.526 57.352 55.803 0.039 0.000 0.850 53 Q CB -0.444 28.304 28.738 0.016 0.000 0.901 53 Q HN 0.356 nan 8.270 nan 0.000 0.429 54 V N 0.061 119.972 119.914 -0.006 0.000 2.287 54 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 54 V C 1.834 177.811 176.094 -0.196 0.000 1.053 54 V CA 1.917 64.142 62.300 -0.126 0.000 1.027 54 V CB -0.617 31.079 31.823 -0.211 0.000 0.646 54 V HN 0.340 nan 8.190 nan 0.000 0.447 55 F N 0.008 119.940 119.950 -0.031 0.000 2.259 55 F HA -0.053 4.474 4.527 -0.000 0.000 0.298 55 F C 2.536 178.323 175.800 -0.022 0.000 1.088 55 F CA 1.198 59.180 58.000 -0.030 0.000 1.358 55 F CB -0.333 38.643 39.000 -0.040 0.000 1.040 55 F HN -0.011 nan 8.300 nan 0.000 0.505 56 R N 0.174 120.746 120.500 0.120 0.000 2.075 56 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 56 R C 1.574 177.884 176.300 0.016 0.000 1.126 56 R CA 1.538 57.677 56.100 0.064 0.000 0.963 56 R CB -0.541 29.786 30.300 0.045 0.000 0.858 56 R HN 0.226 nan 8.270 nan 0.000 0.435 57 D N 0.538 120.930 120.400 -0.013 0.000 2.218 57 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 57 D C 1.232 177.490 176.300 -0.069 0.000 0.976 57 D CA 0.857 54.832 54.000 -0.042 0.000 0.853 57 D CB 0.083 40.853 40.800 -0.050 0.000 0.939 57 D HN 0.044 nan 8.370 nan 0.000 0.481 58 L N -0.489 120.691 121.223 -0.072 0.000 2.612 58 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 58 L C 1.719 178.576 176.870 -0.022 0.000 1.140 58 L CA 0.465 55.261 54.840 -0.074 0.000 0.896 58 L CB -0.551 41.447 42.059 -0.102 0.000 1.065 58 L HN 0.166 nan 8.230 nan 0.000 0.447 59 G N -1.324 107.471 108.800 -0.010 0.000 2.175 59 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 59 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 59 G C 0.372 175.295 174.900 0.040 0.000 0.982 59 G CA 0.172 45.275 45.100 0.004 0.000 0.641 59 G HN 0.126 nan 8.290 nan 0.000 0.527 60 V N 1.567 121.529 119.914 0.080 0.000 2.583 60 V HA 0.396 4.516 4.120 -0.000 0.000 0.287 60 V C 0.816 176.948 176.094 0.065 0.000 1.051 60 V CA -0.481 61.875 62.300 0.093 0.000 1.010 60 V CB 1.830 33.751 31.823 0.164 0.000 0.988 60 V HN 0.349 nan 8.190 nan 0.000 0.478 61 E N 5.141 125.367 120.200 0.043 0.000 2.180 61 E HA 0.349 4.699 4.350 -0.000 0.000 0.283 61 E C -1.115 175.499 176.600 0.023 0.000 1.061 61 E CA -0.171 56.246 56.400 0.029 0.000 0.861 61 E CB 0.654 30.366 29.700 0.021 0.000 1.056 61 E HN 0.583 nan 8.360 nan 0.000 0.407 62 I N 4.635 125.218 120.570 0.021 0.000 2.493 62 I HA 0.171 4.341 4.170 -0.000 0.000 0.279 62 I C -0.077 176.041 176.117 0.002 0.000 1.045 62 I CA -0.473 60.833 61.300 0.009 0.000 1.106 62 I CB 1.596 39.607 38.000 0.019 0.000 1.216 62 I HN 0.422 nan 8.210 nan 0.000 0.459 63 E N 5.648 125.843 120.200 -0.009 0.000 2.175 63 E HA 0.212 4.562 4.350 -0.000 0.000 0.278 63 E C -1.281 175.303 176.600 -0.026 0.000 0.969 63 E CA -0.548 55.844 56.400 -0.013 0.000 0.796 63 E CB 1.691 31.384 29.700 -0.012 0.000 1.104 63 E HN 0.399 nan 8.360 nan 0.000 0.395 64 D N 4.518 124.905 120.400 -0.021 0.000 2.441 64 D HA 0.246 4.886 4.640 -0.000 0.000 0.231 64 D C -1.325 174.961 176.300 -0.024 0.000 1.073 64 D CA -0.325 53.657 54.000 -0.029 0.000 0.850 64 D CB 0.581 41.369 40.800 -0.019 0.000 1.062 64 D HN 0.365 nan 8.370 nan 0.000 0.524 65 K N 2.913 123.294 120.400 -0.032 0.000 2.482 65 K HA 0.253 4.573 4.320 -0.000 0.000 0.251 65 K C -0.797 175.790 176.600 -0.022 0.000 0.936 65 K CA -0.505 55.769 56.287 -0.021 0.000 0.791 65 K CB 1.012 33.502 32.500 -0.017 0.000 1.213 65 K HN 0.134 nan 8.250 nan 0.000 0.428 66 D N 3.143 123.538 120.400 -0.008 0.000 2.737 66 D HA -0.208 4.432 4.640 -0.000 0.000 0.233 66 D C 0.645 176.944 176.300 -0.002 0.000 1.155 66 D CA 1.885 55.886 54.000 0.001 0.000 0.667 66 D CB -1.157 39.648 40.800 0.008 0.000 1.060 66 D HN 1.103 nan 8.370 nan 0.000 0.427 67 G N -2.298 106.495 108.800 -0.012 0.000 2.179 67 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 67 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 67 G C 0.305 175.170 174.900 -0.059 0.000 0.977 67 G CA 0.342 45.433 45.100 -0.015 0.000 0.641 67 G HN 0.617 nan 8.290 nan 0.000 0.533 68 V N 2.215 122.068 119.914 -0.102 0.000 2.555 68 V HA 0.618 4.738 4.120 -0.000 0.000 0.302 68 V C 0.330 176.312 176.094 -0.187 0.000 1.038 68 V CA -1.170 60.990 62.300 -0.233 0.000 0.887 68 V CB 1.915 33.564 31.823 -0.289 0.000 0.991 68 V HN 0.202 nan 8.190 nan 0.000 0.434 69 I N 3.382 123.822 120.570 -0.217 0.000 2.315 69 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 69 I C 0.312 176.348 176.117 -0.135 0.000 1.006 69 I CA 0.174 61.394 61.300 -0.134 0.000 1.265 69 I CB 1.262 39.203 38.000 -0.099 0.000 1.387 69 I HN 0.581 nan 8.210 nan 0.000 0.475 70 T N 6.158 120.661 114.554 -0.085 0.000 2.786 70 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 70 T C -0.061 174.623 174.700 -0.026 0.000 0.992 70 T CA -0.418 61.648 62.100 -0.057 0.000 0.954 70 T CB 1.869 70.711 68.868 -0.044 0.000 0.934 70 T HN 0.222 nan 8.240 nan 0.000 0.440 71 V N 4.302 124.211 119.914 -0.009 0.000 2.495 71 V HA 0.397 4.517 4.120 -0.000 0.000 0.298 71 V C -0.389 175.717 176.094 0.020 0.000 1.031 71 V CA -0.982 61.319 62.300 0.001 0.000 0.871 71 V CB 1.894 33.712 31.823 -0.009 0.000 0.988 71 V HN 0.696 nan 8.190 nan 0.000 0.432 72 Q N 3.223 123.036 119.800 0.021 0.000 2.421 72 Q HA 0.354 4.694 4.340 -0.000 0.000 0.242 72 Q C 0.543 176.565 176.000 0.036 0.000 1.024 72 Q CA -0.105 55.716 55.803 0.030 0.000 0.891 72 Q CB 1.410 30.163 28.738 0.026 0.000 1.222 72 Q HN 0.935 nan 8.270 nan 0.000 0.483 73 G N 0.757 109.587 108.800 0.049 0.000 2.474 73 G HA2 0.198 4.158 3.960 -0.000 0.000 0.233 73 G HA3 0.198 4.158 3.960 -0.000 0.000 0.233 73 G C 0.832 175.763 174.900 0.052 0.000 1.278 73 G CA -0.145 44.988 45.100 0.054 0.000 0.861 73 G HN 0.502 nan 8.290 nan 0.000 0.567 74 V N -0.076 119.871 119.914 0.055 0.000 3.528 74 V HA 0.643 4.763 4.120 -0.000 0.000 0.294 74 V C 1.079 177.209 176.094 0.060 0.000 1.404 74 V CA 0.452 62.787 62.300 0.058 0.000 1.065 74 V CB -0.845 31.019 31.823 0.068 0.000 0.904 74 V HN 2.197 nan 8.190 nan 0.000 0.435 75 G N 0.531 109.369 108.800 0.062 0.000 2.730 75 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 75 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 75 G C -0.177 174.759 174.900 0.060 0.000 1.343 75 G CA 0.038 45.176 45.100 0.063 0.000 0.826 75 G HN 0.448 nan 8.290 nan 0.000 0.582 76 M N 0.797 120.432 119.600 0.059 0.000 2.358 76 M HA 0.274 4.754 4.480 -0.000 0.000 0.264 76 M C 2.028 178.354 176.300 0.043 0.000 1.064 76 M CA 2.900 58.231 55.300 0.052 0.000 1.093 76 M CB -0.264 32.370 32.600 0.056 0.000 1.401 76 M HN 1.768 nan 8.290 nan 0.000 0.440 77 A N -1.499 121.350 122.820 0.048 0.000 2.705 77 A HA 0.655 4.975 4.320 -0.000 0.000 0.294 77 A C 1.264 178.889 177.584 0.070 0.000 1.039 77 A CA 0.015 52.081 52.037 0.049 0.000 1.005 77 A CB -0.813 18.209 19.000 0.038 0.000 1.192 77 A HN 0.458 nan 8.150 nan 0.000 0.513 78 G N -0.430 108.417 108.800 0.077 0.000 3.020 78 G HA2 0.350 4.310 3.960 -0.000 0.000 0.217 78 G HA3 0.350 4.310 3.960 -0.000 0.000 0.217 78 G C 0.511 175.474 174.900 0.106 0.000 1.144 78 G CA -0.097 45.053 45.100 0.083 0.000 0.760 78 G HN 0.405 nan 8.290 nan 0.000 0.548 79 L N 1.369 122.676 121.223 0.140 0.000 2.456 79 L HA 0.280 4.620 4.340 -0.000 0.000 0.272 79 L C 0.147 177.147 176.870 0.218 0.000 1.189 79 L CA 0.102 55.047 54.840 0.175 0.000 0.846 79 L CB 0.711 42.891 42.059 0.202 0.000 1.111 79 L HN -0.053 nan 8.230 nan 0.000 0.475 80 K N 1.985 122.414 120.400 0.048 0.000 2.267 80 K HA 0.560 4.880 4.320 -0.000 0.000 0.246 80 K C -0.514 175.666 176.600 -0.700 0.000 0.954 80 K CA -0.830 55.340 56.287 -0.195 0.000 0.824 80 K CB 1.945 34.365 32.500 -0.133 0.000 1.167 80 K HN 0.615 nan 8.250 nan 0.000 0.431 81 A N 3.803 125.849 122.820 -1.291 0.000 2.566 81 A HA 0.138 4.458 4.320 -0.000 0.000 0.245 81 A C -1.725 175.523 177.584 -0.560 0.000 1.056 81 A CA -0.449 50.760 52.037 -1.380 0.000 0.757 81 A CB -0.837 17.625 19.000 -0.898 0.000 0.979 81 A HN 0.373 nan 8.150 nan 0.000 0.508 82 P HA 0.188 nan 4.420 nan 0.000 0.274 82 P C -0.182 177.040 177.300 -0.129 0.000 1.246 82 P CA -0.192 62.800 63.100 -0.180 0.000 0.795 82 P CB 0.790 32.426 31.700 -0.106 0.000 1.006 83 Q N 0.672 120.422 119.800 -0.084 0.000 2.062 83 Q HA 0.020 4.360 4.340 -0.000 0.000 0.196 83 Q C 0.695 176.673 176.000 -0.036 0.000 0.967 83 Q CA 1.484 57.252 55.803 -0.059 0.000 0.832 83 Q CB -0.227 28.485 28.738 -0.043 0.000 0.899 83 Q HN 0.565 nan 8.270 nan 0.000 0.442 84 N N -0.958 117.731 118.700 -0.018 0.000 3.002 84 N HA 0.645 5.385 4.740 -0.000 0.000 0.331 84 N C -1.330 174.202 175.510 0.037 0.000 1.384 84 N CA -0.689 52.364 53.050 0.005 0.000 0.780 84 N CB 0.891 39.388 38.487 0.017 0.000 1.492 84 N HN 0.132 nan 8.380 nan 0.000 0.608 85 A N 0.706 123.572 122.820 0.076 0.000 2.462 85 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 85 A C -0.203 177.527 177.584 0.244 0.000 1.076 85 A CA -0.081 52.056 52.037 0.166 0.000 0.773 85 A CB -0.364 18.739 19.000 0.173 0.000 1.010 85 A HN 0.462 nan 8.150 nan 0.000 0.493 86 L N 2.638 123.954 121.223 0.154 0.000 2.313 86 L HA 0.167 4.507 4.340 -0.000 0.000 0.282 86 L C 0.522 177.293 176.870 -0.166 0.000 1.092 86 L CA -0.505 54.340 54.840 0.009 0.000 0.831 86 L CB 0.272 42.292 42.059 -0.065 0.000 1.159 86 L HN 0.696 nan 8.230 nan 0.000 0.442 87 N N 4.478 123.005 118.700 -0.288 0.000 2.439 87 N HA 0.131 4.871 4.740 -0.000 0.000 0.243 87 N C 0.547 175.763 175.510 -0.489 0.000 1.088 87 N CA -0.286 52.298 53.050 -0.778 0.000 0.940 87 N CB 0.951 39.199 38.487 -0.397 0.000 1.180 87 N HN 0.542 nan 8.380 nan 0.000 0.505 88 M N 1.855 121.145 119.600 -0.516 0.000 2.618 88 M HA 0.124 4.604 4.480 -0.000 0.000 0.240 88 M C 1.494 177.668 176.300 -0.209 0.000 1.123 88 M CA 0.202 55.338 55.300 -0.274 0.000 1.060 88 M CB -1.507 30.964 32.600 -0.216 0.000 1.535 88 M HN 0.647 nan 8.290 nan 0.000 0.507 89 G N 2.249 110.889 108.800 -0.267 0.000 2.629 89 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.313 89 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.313 89 G C 0.647 175.498 174.900 -0.081 0.000 1.217 89 G CA 0.996 46.013 45.100 -0.139 0.000 0.994 89 G HN 0.492 nan 8.290 nan 0.000 0.549 90 N N 0.405 119.077 118.700 -0.047 0.000 2.203 90 N HA 0.319 5.059 4.740 -0.000 0.000 0.207 90 N C 0.477 175.972 175.510 -0.025 0.000 1.130 90 N CA 1.167 54.202 53.050 -0.024 0.000 0.861 90 N CB 0.371 38.847 38.487 -0.018 0.000 1.005 90 N HN 0.549 nan 8.380 nan 0.000 0.507 91 S N -0.818 114.861 115.700 -0.035 0.000 2.399 91 S HA 0.397 4.867 4.470 -0.000 0.000 0.301 91 S C 1.322 175.883 174.600 -0.065 0.000 1.093 91 S CA -0.431 57.750 58.200 -0.031 0.000 1.077 91 S CB 0.359 63.562 63.200 0.003 0.000 0.980 91 S HN 0.441 nan 8.310 nan 0.000 0.494 92 G N 3.346 112.118 108.800 -0.046 0.000 2.403 92 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 92 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 92 G C 1.326 176.174 174.900 -0.087 0.000 1.154 92 G CA 1.042 46.114 45.100 -0.047 0.000 0.784 92 G HN 0.671 nan 8.290 nan 0.000 0.538 93 T N 1.428 115.901 114.554 -0.136 0.000 2.759 93 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 93 T C 2.829 177.354 174.700 -0.291 0.000 1.042 93 T CA 1.617 63.581 62.100 -0.228 0.000 1.140 93 T CB -0.226 68.405 68.868 -0.395 0.000 0.864 93 T HN 0.270 nan 8.240 nan 0.000 0.455 94 S N 0.956 116.461 115.700 -0.325 0.000 2.338 94 S HA 0.036 4.506 4.470 -0.000 0.000 0.218 94 S C 2.014 176.536 174.600 -0.130 0.000 1.032 94 S CA 0.881 58.956 58.200 -0.208 0.000 0.999 94 S CB -0.448 62.680 63.200 -0.121 0.000 0.905 94 S HN 0.453 nan 8.310 nan 0.000 0.439 95 I N 1.540 122.042 120.570 -0.115 0.000 2.286 95 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 95 I C 2.501 178.575 176.117 -0.072 0.000 1.115 95 I CA 1.232 62.476 61.300 -0.093 0.000 1.392 95 I CB -0.016 37.936 38.000 -0.081 0.000 1.065 95 I HN 0.172 nan 8.210 nan 0.000 0.418 96 R N 0.385 120.849 120.500 -0.061 0.000 2.066 96 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 96 R C 2.244 178.535 176.300 -0.015 0.000 1.131 96 R CA 1.356 57.435 56.100 -0.034 0.000 0.955 96 R CB -0.581 29.706 30.300 -0.021 0.000 0.851 96 R HN 0.402 nan 8.270 nan 0.000 0.432 97 L N 0.549 121.765 121.223 -0.012 0.000 2.027 97 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 97 L C 2.517 179.372 176.870 -0.024 0.000 1.074 97 L CA 1.244 56.113 54.840 0.049 0.000 0.745 97 L CB -0.550 41.550 42.059 0.069 0.000 0.898 97 L HN 0.137 nan 8.230 nan 0.000 0.433 98 I N -0.406 120.115 120.570 -0.082 0.000 2.454 98 I HA -0.236 3.934 4.170 -0.000 0.000 0.254 98 I C 2.562 178.614 176.117 -0.109 0.000 1.156 98 I CA 0.769 61.995 61.300 -0.124 0.000 1.433 98 I CB -0.237 37.661 38.000 -0.170 0.000 1.082 98 I HN 0.193 nan 8.210 nan 0.000 0.432 99 S N 0.827 116.482 115.700 -0.075 0.000 2.382 99 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 99 S C 2.120 176.686 174.600 -0.057 0.000 1.027 99 S CA 1.446 59.606 58.200 -0.067 0.000 0.991 99 S CB -0.503 62.665 63.200 -0.053 0.000 0.823 99 S HN 0.651 nan 8.310 nan 0.000 0.469 100 G N 0.911 109.699 108.800 -0.021 0.000 2.403 100 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 100 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 100 G C 1.418 176.322 174.900 0.006 0.000 1.154 100 G CA 0.632 45.739 45.100 0.013 0.000 0.784 100 G HN 0.409 nan 8.290 nan 0.000 0.538 101 V N 0.859 120.746 119.914 -0.045 0.000 2.343 101 V HA -0.097 4.023 4.120 -0.000 0.000 0.247 101 V C 2.459 178.500 176.094 -0.088 0.000 1.051 101 V CA 1.116 63.353 62.300 -0.106 0.000 1.036 101 V CB -0.287 31.421 31.823 -0.192 0.000 0.654 101 V HN 0.230 nan 8.190 nan 0.000 0.451 102 L N 0.336 121.492 121.223 -0.112 0.000 2.627 102 L HA 0.245 4.585 4.340 -0.000 0.000 0.233 102 L C 2.282 179.047 176.870 -0.176 0.000 1.144 102 L CA 1.064 55.810 54.840 -0.158 0.000 0.892 102 L CB -1.418 40.543 42.059 -0.163 0.000 1.039 102 L HN 0.229 nan 8.230 nan 0.000 0.442 103 A N -0.028 122.722 122.820 -0.115 0.000 1.986 103 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 103 A C 2.170 179.680 177.584 -0.123 0.000 1.171 103 A CA 1.744 53.718 52.037 -0.105 0.000 0.640 103 A CB -0.710 18.250 19.000 -0.066 0.000 0.811 103 A HN 0.429 nan 8.150 nan 0.000 0.451 104 G N -1.555 107.171 108.800 -0.124 0.000 3.233 104 G HA2 0.438 4.398 3.960 -0.000 0.000 0.234 104 G HA3 0.438 4.398 3.960 -0.000 0.000 0.234 104 G C 0.443 175.229 174.900 -0.190 0.000 1.137 104 G CA 0.534 45.562 45.100 -0.120 0.000 0.763 104 G HN 0.740 nan 8.290 nan 0.000 0.549 105 A N 0.828 123.445 122.820 -0.338 0.000 2.396 105 A HA 0.398 4.718 4.320 -0.000 0.000 0.279 105 A C 0.019 177.173 177.584 -0.717 0.000 1.165 105 A CA -0.308 51.325 52.037 -0.674 0.000 0.824 105 A CB 0.348 18.634 19.000 -1.191 0.000 1.100 105 A HN 0.065 nan 8.150 nan 0.000 0.516 106 D N 3.170 123.325 120.400 -0.409 0.000 2.801 106 D HA 0.395 5.035 4.640 -0.000 0.000 0.232 106 D C -0.735 175.564 176.300 -0.002 0.000 1.128 106 D CA 0.461 54.366 54.000 -0.159 0.000 1.003 106 D CB -1.000 39.797 40.800 -0.006 0.000 1.110 106 D HN 0.372 nan 8.370 nan 0.000 0.477 107 F N -1.674 118.265 119.950 -0.019 0.000 2.842 107 F HA 0.423 4.950 4.527 -0.000 0.000 0.319 107 F C -0.874 174.912 175.800 -0.024 0.000 1.159 107 F CA -1.428 56.560 58.000 -0.020 0.000 0.902 107 F CB 0.738 39.725 39.000 -0.021 0.000 1.311 107 F HN -0.175 nan 8.300 nan 0.000 0.453 108 E N 1.419 121.789 120.200 0.283 0.000 2.231 108 E HA 0.699 5.049 4.350 -0.000 0.000 0.277 108 E C -1.347 175.380 176.600 0.212 0.000 0.999 108 E CA -0.999 55.497 56.400 0.160 0.000 0.827 108 E CB 2.045 31.795 29.700 0.084 0.000 1.101 108 E HN 0.853 nan 8.360 nan 0.000 0.393 109 V N 0.407 120.403 119.914 0.136 0.000 3.078 109 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 109 V C -0.873 175.259 176.094 0.063 0.000 1.138 109 V CA -0.945 61.423 62.300 0.114 0.000 1.007 109 V CB 1.806 33.708 31.823 0.133 0.000 1.045 109 V HN 0.812 nan 8.190 nan 0.000 0.432 110 E N 2.437 122.676 120.200 0.065 0.000 2.176 110 E HA 0.686 5.036 4.350 -0.000 0.000 0.267 110 E C -1.360 175.307 176.600 0.112 0.000 0.893 110 E CA -0.868 55.577 56.400 0.074 0.000 0.761 110 E CB 1.898 31.638 29.700 0.067 0.000 1.133 110 E HN 0.830 nan 8.360 nan 0.000 0.409 111 M N 5.088 124.751 119.600 0.104 0.000 2.253 111 M HA 0.439 4.919 4.480 -0.000 0.000 0.314 111 M C -1.010 175.389 176.300 0.164 0.000 1.019 111 M CA -0.978 54.375 55.300 0.088 0.000 0.932 111 M CB 1.240 33.836 32.600 -0.007 0.000 1.606 111 M HN 0.423 nan 8.290 nan 0.000 0.430 112 F N 0.231 120.169 119.950 -0.020 0.000 2.629 112 F HA 1.058 5.585 4.527 -0.000 0.000 0.316 112 F C -0.438 175.356 175.800 -0.010 0.000 1.081 112 F CA -0.873 57.120 58.000 -0.013 0.000 0.954 112 F CB 1.373 40.367 39.000 -0.010 0.000 1.337 112 F HN 0.575 nan 8.300 nan 0.000 0.474 113 G N 0.050 108.846 108.800 -0.007 0.000 2.866 113 G HA2 0.496 4.456 3.960 -0.000 0.000 0.289 113 G HA3 0.496 4.456 3.960 -0.000 0.000 0.289 113 G C -1.751 173.191 174.900 0.070 0.000 1.396 113 G CA -0.565 44.470 45.100 -0.108 0.000 0.848 113 G HN 0.912 nan 8.290 nan 0.000 0.515 114 D N -1.158 119.261 120.400 0.033 0.000 2.376 114 D HA 0.122 4.762 4.640 -0.000 0.000 0.268 114 D C 1.226 177.570 176.300 0.074 0.000 1.252 114 D CA 0.212 54.257 54.000 0.074 0.000 1.041 114 D CB 0.238 41.067 40.800 0.049 0.000 1.109 114 D HN 0.367 nan 8.370 nan 0.000 0.552 115 D N -1.017 119.425 120.400 0.071 0.000 2.178 115 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 115 D C 1.742 178.080 176.300 0.063 0.000 0.980 115 D CA 1.700 55.740 54.000 0.067 0.000 0.842 115 D CB -0.656 40.185 40.800 0.070 0.000 0.948 115 D HN 0.293 nan 8.370 nan 0.000 0.472 116 S N -0.382 115.355 115.700 0.063 0.000 2.357 116 S HA -0.024 4.446 4.470 -0.000 0.000 0.221 116 S C 2.048 176.675 174.600 0.044 0.000 1.031 116 S CA 0.272 58.509 58.200 0.061 0.000 0.982 116 S CB -0.434 62.808 63.200 0.070 0.000 0.853 116 S HN 0.322 nan 8.310 nan 0.000 0.458 117 L N 1.106 122.350 121.223 0.034 0.000 2.093 117 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 117 L C 2.223 179.108 176.870 0.024 0.000 1.085 117 L CA 1.279 56.130 54.840 0.019 0.000 0.755 117 L CB -0.440 41.617 42.059 -0.004 0.000 0.904 117 L HN 0.340 nan 8.230 nan 0.000 0.435 118 S N -0.348 115.376 115.700 0.038 0.000 2.500 118 S HA -0.142 4.328 4.470 -0.000 0.000 0.239 118 S C 1.500 176.119 174.600 0.032 0.000 0.989 118 S CA 0.952 59.177 58.200 0.043 0.000 0.951 118 S CB -0.105 63.131 63.200 0.059 0.000 0.759 118 S HN 0.403 nan 8.310 nan 0.000 0.523 119 K N 0.506 120.923 120.400 0.028 0.000 2.374 119 K HA 0.175 4.495 4.320 -0.000 0.000 0.196 119 K C 0.136 176.745 176.600 0.014 0.000 1.023 119 K CA 0.086 56.385 56.287 0.020 0.000 1.103 119 K CB 0.413 32.924 32.500 0.019 0.000 0.848 119 K HN 0.197 nan 8.250 nan 0.000 0.528 120 R N 1.812 122.321 120.500 0.015 0.000 2.532 120 R HA 0.241 4.581 4.340 -0.000 0.000 0.295 120 R C -2.607 173.698 176.300 0.008 0.000 0.968 120 R CA -2.156 53.951 56.100 0.011 0.000 0.916 120 R CB 0.888 31.195 30.300 0.012 0.000 1.124 120 R HN -0.078 nan 8.270 nan 0.000 0.463 121 P HA 0.018 nan 4.420 nan 0.000 0.271 121 P C -0.252 177.049 177.300 0.002 0.000 1.220 121 P CA 0.099 63.202 63.100 0.005 0.000 0.768 121 P CB 0.879 32.583 31.700 0.006 0.000 0.848 122 M N 1.765 121.364 119.600 -0.001 0.000 2.313 122 M HA 0.024 4.504 4.480 -0.000 0.000 0.273 122 M C 1.129 177.423 176.300 -0.011 0.000 1.049 122 M CA 0.269 55.564 55.300 -0.008 0.000 1.004 122 M CB -0.699 31.895 32.600 -0.011 0.000 1.461 122 M HN 0.322 nan 8.290 nan 0.000 0.514 123 D N 1.477 121.874 120.400 -0.005 0.000 2.178 123 D HA -0.213 4.427 4.640 -0.000 0.000 0.201 123 D C 1.718 178.014 176.300 -0.005 0.000 0.980 123 D CA 1.045 55.041 54.000 -0.005 0.000 0.842 123 D CB -0.571 40.231 40.800 0.003 0.000 0.948 123 D HN 0.459 nan 8.370 nan 0.000 0.472 124 R N 1.278 121.782 120.500 0.006 0.000 2.159 124 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 124 R C 2.088 178.378 176.300 -0.017 0.000 1.131 124 R CA 1.784 57.896 56.100 0.021 0.000 0.982 124 R CB -0.914 29.405 30.300 0.031 0.000 0.868 124 R HN 0.413 nan 8.270 nan 0.000 0.453 125 V N -1.460 118.432 119.914 -0.037 0.000 3.379 125 V HA 0.018 4.138 4.120 -0.000 0.000 0.249 125 V C 2.474 178.511 176.094 -0.094 0.000 1.184 125 V CA 0.774 63.032 62.300 -0.070 0.000 1.106 125 V CB -0.051 31.745 31.823 -0.045 0.000 0.826 125 V HN 0.357 nan 8.190 nan 0.000 0.465 126 T N -0.694 113.820 114.554 -0.068 0.000 2.777 126 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 126 T C 1.949 176.597 174.700 -0.087 0.000 1.040 126 T CA 1.839 63.899 62.100 -0.067 0.000 1.141 126 T CB -0.523 68.320 68.868 -0.041 0.000 0.868 126 T HN 0.438 nan 8.240 nan 0.000 0.444 127 L N 2.331 123.501 121.223 -0.090 0.000 1.955 127 L HA -0.012 4.328 4.340 -0.000 0.000 0.213 127 L C -0.213 176.541 176.870 -0.194 0.000 1.072 127 L CA 1.818 56.600 54.840 -0.097 0.000 0.755 127 L CB -0.997 41.035 42.059 -0.045 0.000 0.888 127 L HN 0.208 nan 8.230 nan 0.000 0.432 128 P HA -0.189 nan 4.420 nan 0.000 0.217 128 P C 1.910 179.036 177.300 -0.290 0.000 1.150 128 P CA 1.250 64.005 63.100 -0.575 0.000 0.832 128 P CB -0.047 31.014 31.700 -1.066 0.000 0.787 129 L N 0.395 121.492 121.223 -0.210 0.000 2.046 129 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 129 L C 2.552 179.361 176.870 -0.101 0.000 1.077 129 L CA 1.904 56.664 54.840 -0.133 0.000 0.747 129 L CB -1.325 40.672 42.059 -0.105 0.000 0.896 129 L HN -0.098 nan 8.230 nan 0.000 0.432 130 K N -0.796 119.548 120.400 -0.092 0.000 2.209 130 K HA -0.184 4.136 4.320 -0.000 0.000 0.204 130 K C 2.025 178.593 176.600 -0.054 0.000 1.048 130 K CA 1.041 57.290 56.287 -0.063 0.000 0.940 130 K CB -0.081 32.389 32.500 -0.050 0.000 0.729 130 K HN 0.286 nan 8.250 nan 0.000 0.451 131 K N 0.477 120.837 120.400 -0.066 0.000 2.147 131 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 131 K C 1.909 178.491 176.600 -0.031 0.000 1.049 131 K CA 1.328 57.593 56.287 -0.038 0.000 0.936 131 K CB -0.012 32.465 32.500 -0.038 0.000 0.722 131 K HN 0.142 nan 8.250 nan 0.000 0.446 132 M N -1.024 118.544 119.600 -0.052 0.000 2.562 132 M HA 0.031 4.511 4.480 -0.000 0.000 0.257 132 M C 0.951 177.229 176.300 -0.038 0.000 1.099 132 M CA 1.065 56.337 55.300 -0.046 0.000 1.099 132 M CB 0.577 33.140 32.600 -0.062 0.000 1.427 132 M HN 0.444 nan 8.290 nan 0.000 0.489 133 G N 0.252 109.029 108.800 -0.039 0.000 2.175 133 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.182 133 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.182 133 G C -0.091 174.782 174.900 -0.045 0.000 1.003 133 G CA -0.558 44.521 45.100 -0.035 0.000 0.666 133 G HN 0.238 nan 8.290 nan 0.000 0.506 134 V N 1.451 121.332 119.914 -0.055 0.000 2.607 134 V HA 0.587 4.707 4.120 -0.000 0.000 0.289 134 V C 0.690 176.751 176.094 -0.054 0.000 1.053 134 V CA 0.015 62.277 62.300 -0.063 0.000 0.996 134 V CB 1.737 33.516 31.823 -0.073 0.000 0.995 134 V HN 0.313 nan 8.190 nan 0.000 0.476 135 S N 5.659 121.328 115.700 -0.053 0.000 2.423 135 S HA 0.705 5.175 4.470 -0.000 0.000 0.317 135 S C -0.523 174.053 174.600 -0.040 0.000 1.065 135 S CA -0.324 57.852 58.200 -0.040 0.000 1.111 135 S CB -0.045 63.135 63.200 -0.033 0.000 0.968 135 S HN 0.505 nan 8.310 nan 0.000 0.474 136 I N 1.452 122.000 120.570 -0.037 0.000 2.686 136 I HA 0.723 4.893 4.170 -0.000 0.000 0.295 136 I C -0.226 175.877 176.117 -0.024 0.000 1.114 136 I CA -0.734 60.547 61.300 -0.032 0.000 1.038 136 I CB 2.151 40.127 38.000 -0.041 0.000 1.238 136 I HN 0.495 nan 8.210 nan 0.000 0.420 137 S N 1.855 117.545 115.700 -0.016 0.000 2.537 137 S HA 0.964 5.434 4.470 -0.000 0.000 0.270 137 S C -0.576 174.022 174.600 -0.004 0.000 1.142 137 S CA -0.362 57.832 58.200 -0.010 0.000 0.870 137 S CB 1.621 64.816 63.200 -0.008 0.000 1.112 137 S HN 1.128 nan 8.310 nan 0.000 0.466 138 G N 0.511 109.311 108.800 -0.001 0.000 3.217 138 G HA2 0.636 4.596 3.960 -0.000 0.000 0.213 138 G HA3 0.636 4.596 3.960 -0.000 0.000 0.213 138 G C -1.448 173.455 174.900 0.006 0.000 1.294 138 G CA -0.741 44.362 45.100 0.005 0.000 0.987 138 G HN 0.646 nan 8.290 nan 0.000 0.584 139 Q N 0.731 120.536 119.800 0.009 0.000 2.278 139 Q HA 0.578 4.918 4.340 -0.000 0.000 0.257 139 Q C -0.108 175.896 176.000 0.006 0.000 0.928 139 Q CA -0.091 55.717 55.803 0.008 0.000 0.932 139 Q CB 0.961 29.706 28.738 0.011 0.000 1.221 139 Q HN 0.687 nan 8.270 nan 0.000 0.434 140 T N 1.157 115.714 114.554 0.004 0.000 0.541 140 T HA -0.141 4.209 4.350 -0.000 0.000 0.774 140 T C 1.059 175.761 174.700 0.003 0.000 0.992 140 T CA 0.493 62.595 62.100 0.004 0.000 4.077 140 T CB -0.212 68.659 68.868 0.004 0.000 2.303 140 T HN 0.852 nan 8.240 nan 0.000 0.398 141 E N 0.941 121.142 120.200 0.002 0.000 2.409 141 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 141 E C 1.473 178.075 176.600 0.003 0.000 1.024 141 E CA 0.999 57.400 56.400 0.002 0.000 0.861 141 E CB -0.032 29.670 29.700 0.003 0.000 0.788 141 E HN 0.470 nan 8.360 nan 0.000 0.521 142 R N 1.040 121.542 120.500 0.003 0.000 2.313 142 R HA 0.016 4.356 4.340 -0.000 0.000 0.199 142 R C -0.209 176.093 176.300 0.003 0.000 0.958 142 R CA 0.329 56.431 56.100 0.004 0.000 1.047 142 R CB -0.525 29.777 30.300 0.004 0.000 0.955 142 R HN 0.122 nan 8.270 nan 0.000 0.481 143 D N 1.262 121.663 120.400 0.002 0.000 2.735 143 D HA -0.187 4.453 4.640 -0.000 0.000 0.235 143 D C -0.417 175.885 176.300 0.003 0.000 1.175 143 D CA 0.746 54.747 54.000 0.001 0.000 0.683 143 D CB -1.126 39.671 40.800 -0.005 0.000 1.008 143 D HN 0.205 nan 8.370 nan 0.000 0.416 144 L N -0.111 121.117 121.223 0.008 0.000 2.436 144 L HA 0.311 4.651 4.340 -0.000 0.000 0.265 144 L C -1.649 175.233 176.870 0.019 0.000 1.168 144 L CA -1.601 53.247 54.840 0.012 0.000 0.815 144 L CB 0.207 42.274 42.059 0.014 0.000 1.109 144 L HN -0.161 nan 8.230 nan 0.000 0.462 145 P HA 0.103 nan 4.420 nan 0.000 0.269 145 P C -2.501 174.832 177.300 0.054 0.000 1.215 145 P CA -0.855 62.270 63.100 0.041 0.000 0.780 145 P CB -0.008 31.718 31.700 0.043 0.000 0.898 146 P HA 0.173 nan 4.420 nan 0.000 0.275 146 P C -0.724 176.606 177.300 0.051 0.000 1.227 146 P CA 0.302 63.454 63.100 0.087 0.000 0.781 146 P CB 0.438 32.193 31.700 0.092 0.000 0.906 147 L N 3.168 124.420 121.223 0.048 0.000 2.334 147 L HA 0.588 4.928 4.340 -0.000 0.000 0.272 147 L C 0.602 177.487 176.870 0.024 0.000 1.020 147 L CA -0.984 53.869 54.840 0.023 0.000 0.812 147 L CB 1.228 43.291 42.059 0.006 0.000 1.264 147 L HN 0.189 nan 8.230 nan 0.000 0.439 148 R N 3.170 123.676 120.500 0.011 0.000 2.437 148 R HA 0.591 4.931 4.340 -0.000 0.000 0.310 148 R C -1.302 174.996 176.300 -0.003 0.000 0.955 148 R CA -0.693 55.413 56.100 0.011 0.000 0.851 148 R CB 2.295 32.599 30.300 0.008 0.000 1.161 148 R HN 0.363 nan 8.270 nan 0.000 0.446 149 L N 2.562 123.784 121.223 -0.003 0.000 2.410 149 L HA 0.550 4.889 4.340 -0.000 0.000 0.270 149 L C -1.223 175.626 176.870 -0.036 0.000 0.983 149 L CA -0.666 54.157 54.840 -0.028 0.000 0.822 149 L CB 1.901 43.934 42.059 -0.042 0.000 1.285 149 L HN 0.554 nan 8.230 nan 0.000 0.409 150 K N 3.625 123.990 120.400 -0.059 0.000 2.604 150 K HA 0.672 4.992 4.320 -0.000 0.000 0.247 150 K C -0.213 176.317 176.600 -0.117 0.000 0.956 150 K CA -0.288 55.954 56.287 -0.076 0.000 0.896 150 K CB 1.419 33.897 32.500 -0.037 0.000 1.131 150 K HN 0.759 nan 8.250 nan 0.000 0.440 151 G N 0.900 109.580 108.800 -0.201 0.000 2.621 151 G HA2 0.360 4.320 3.960 -0.000 0.000 0.271 151 G HA3 0.360 4.320 3.960 -0.000 0.000 0.271 151 G C -0.846 173.964 174.900 -0.150 0.000 1.236 151 G CA -0.296 44.686 45.100 -0.197 0.000 0.958 151 G HN 0.536 nan 8.290 nan 0.000 0.512 152 T N -1.799 112.682 114.554 -0.121 0.000 2.909 152 T HA 0.411 4.761 4.350 -0.000 0.000 0.299 152 T C 0.626 175.284 174.700 -0.071 0.000 1.073 152 T CA -0.652 61.399 62.100 -0.082 0.000 0.999 152 T CB 1.822 70.656 68.868 -0.057 0.000 1.098 152 T HN 0.349 nan 8.240 nan 0.000 0.477 153 K N 2.427 122.797 120.400 -0.050 0.000 2.487 153 K HA 0.268 4.588 4.320 -0.000 0.000 0.192 153 K C 0.174 176.761 176.600 -0.023 0.000 1.027 153 K CA 0.606 56.873 56.287 -0.033 0.000 1.054 153 K CB -0.087 32.402 32.500 -0.019 0.000 0.824 153 K HN 0.563 nan 8.250 nan 0.000 0.510 154 N N 0.213 118.898 118.700 -0.025 0.000 2.660 154 N HA 0.195 4.935 4.740 -0.000 0.000 0.316 154 N C -1.194 174.304 175.510 -0.020 0.000 1.774 154 N CA -0.264 52.776 53.050 -0.017 0.000 0.946 154 N CB 0.580 39.060 38.487 -0.012 0.000 1.322 154 N HN -0.015 nan 8.380 nan 0.000 0.492 155 L N 1.049 122.256 121.223 -0.026 0.000 2.485 155 L HA 0.150 4.490 4.340 -0.000 0.000 0.275 155 L C 0.798 177.655 176.870 -0.021 0.000 1.207 155 L CA 0.045 54.867 54.840 -0.029 0.000 0.855 155 L CB 0.381 42.419 42.059 -0.034 0.000 1.114 155 L HN 0.346 nan 8.230 nan 0.000 0.485 156 R N 6.534 127.021 120.500 -0.023 0.000 2.393 156 R HA 0.473 4.813 4.340 -0.000 0.000 0.310 156 R C -2.647 173.633 176.300 -0.034 0.000 0.968 156 R CA -1.932 54.160 56.100 -0.014 0.000 0.867 156 R CB 1.058 31.358 30.300 0.000 0.000 1.124 156 R HN 0.185 nan 8.270 nan 0.000 0.450 157 P HA -0.070 nan 4.420 nan 0.000 0.267 157 P C -0.675 176.509 177.300 -0.193 0.000 1.195 157 P CA -0.081 62.949 63.100 -0.117 0.000 0.773 157 P CB 0.546 32.178 31.700 -0.114 0.000 0.837 158 I N 2.561 122.980 120.570 -0.252 0.000 2.412 158 I HA 0.306 4.476 4.170 -0.000 0.000 0.296 158 I C -0.313 175.584 176.117 -0.367 0.000 0.987 158 I CA -0.698 60.472 61.300 -0.217 0.000 1.180 158 I CB 0.666 38.600 38.000 -0.110 0.000 1.340 158 I HN 0.289 nan 8.210 nan 0.000 0.455 159 H N 7.696 126.811 119.070 0.075 0.000 2.860 159 H HA 0.350 4.906 4.556 -0.000 0.000 0.312 159 H C -1.759 173.672 175.328 0.172 0.000 0.995 159 H CA -0.334 55.766 56.048 0.087 0.000 1.311 159 H CB 1.115 30.910 29.762 0.055 0.000 1.478 159 H HN 0.638 nan 8.280 nan 0.000 0.508 160 Y N 1.601 121.937 120.300 0.059 0.000 2.442 160 Y HA 0.161 4.711 4.550 -0.000 0.000 0.330 160 Y C -0.973 174.933 175.900 0.010 0.000 1.100 160 Y CA -0.659 57.459 58.100 0.028 0.000 1.034 160 Y CB 1.772 40.235 38.460 0.005 0.000 1.285 160 Y HN 0.380 nan 8.280 nan 0.000 0.440 161 E N 5.791 125.684 120.200 -0.510 0.000 2.081 161 E HA 0.235 4.585 4.350 -0.000 0.000 0.276 161 E C -1.337 174.842 176.600 -0.701 0.000 0.950 161 E CA -0.633 55.516 56.400 -0.418 0.000 0.776 161 E CB 0.879 30.412 29.700 -0.280 0.000 1.094 161 E HN 0.679 nan 8.360 nan 0.000 0.402 162 L N 7.211 128.212 121.223 -0.371 0.000 2.499 162 L HA 0.047 4.387 4.340 -0.000 0.000 0.273 162 L C -1.096 175.668 176.870 -0.177 0.000 1.195 162 L CA -0.443 54.278 54.840 -0.198 0.000 0.882 162 L CB 0.134 42.197 42.059 0.007 0.000 1.133 162 L HN 0.401 nan 8.230 nan 0.000 0.483 163 P HA 0.004 nan 4.420 nan 0.000 0.227 163 P C -0.065 177.212 177.300 -0.038 0.000 1.161 163 P CA 0.878 63.932 63.100 -0.076 0.000 0.788 163 P CB 0.464 32.145 31.700 -0.032 0.000 0.822 164 I N -4.016 116.545 120.570 -0.014 0.000 2.892 164 I HA 0.624 4.794 4.170 -0.000 0.000 0.306 164 I C -0.429 175.682 176.117 -0.010 0.000 1.078 164 I CA -1.953 59.342 61.300 -0.008 0.000 1.032 164 I CB 1.340 39.346 38.000 0.009 0.000 1.229 164 I HN -0.292 nan 8.210 nan 0.000 0.435 165 A N 3.305 126.117 122.820 -0.014 0.000 3.048 165 A HA 0.353 4.673 4.320 -0.000 0.000 0.264 165 A C 0.465 178.051 177.584 0.003 0.000 1.796 165 A CA 0.094 52.122 52.037 -0.014 0.000 1.445 165 A CB -1.166 17.825 19.000 -0.015 0.000 1.074 165 A HN 0.702 nan 8.150 nan 0.000 0.621 166 S N 0.662 116.369 115.700 0.012 0.000 2.456 166 S HA 0.545 5.014 4.470 -0.000 0.000 0.316 166 S C 1.071 175.687 174.600 0.025 0.000 1.089 166 S CA -0.011 58.203 58.200 0.023 0.000 1.101 166 S CB 1.174 64.393 63.200 0.031 0.000 0.995 166 S HN 0.896 nan 8.310 nan 0.000 0.468 167 A N 4.380 127.217 122.820 0.028 0.000 2.016 167 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 167 A C 1.979 179.585 177.584 0.038 0.000 1.162 167 A CA 0.867 52.922 52.037 0.030 0.000 0.662 167 A CB -0.425 18.597 19.000 0.037 0.000 0.812 167 A HN 0.888 nan 8.150 nan 0.000 0.450 168 Q N -0.445 119.379 119.800 0.041 0.000 2.046 168 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 168 Q C 2.117 178.138 176.000 0.036 0.000 0.975 168 Q CA 1.691 57.519 55.803 0.042 0.000 0.836 168 Q CB -0.291 28.464 28.738 0.029 0.000 0.896 168 Q HN 0.482 nan 8.270 nan 0.000 0.428 169 V N 1.488 121.421 119.914 0.032 0.000 2.343 169 V HA -0.289 3.830 4.120 -0.000 0.000 0.247 169 V C 2.302 178.412 176.094 0.026 0.000 1.051 169 V CA 1.992 64.310 62.300 0.030 0.000 1.036 169 V CB -0.572 31.286 31.823 0.058 0.000 0.654 169 V HN 0.353 nan 8.190 nan 0.000 0.451 170 K N 0.236 120.652 120.400 0.027 0.000 2.032 170 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 170 K C 2.332 178.908 176.600 -0.041 0.000 1.048 170 K CA 2.054 58.345 56.287 0.006 0.000 0.927 170 K CB -0.271 32.230 32.500 0.002 0.000 0.712 170 K HN 0.444 nan 8.250 nan 0.000 0.441 171 S N 0.728 116.405 115.700 -0.039 0.000 2.359 171 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 171 S C 2.100 176.654 174.600 -0.077 0.000 1.035 171 S CA 1.235 59.366 58.200 -0.115 0.000 1.018 171 S CB -0.411 62.800 63.200 0.018 0.000 0.876 171 S HN 0.556 nan 8.310 nan 0.000 0.448 172 A N 1.347 124.207 122.820 0.066 0.000 1.908 172 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 172 A C 2.024 179.640 177.584 0.052 0.000 1.181 172 A CA 1.377 53.488 52.037 0.124 0.000 0.627 172 A CB -0.691 18.341 19.000 0.052 0.000 0.818 172 A HN 0.374 nan 8.150 nan 0.000 0.445 173 L N -1.000 120.213 121.223 -0.017 0.000 2.093 173 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 173 L C 2.692 179.527 176.870 -0.059 0.000 1.085 173 L CA 1.661 56.477 54.840 -0.041 0.000 0.755 173 L CB -0.766 41.268 42.059 -0.041 0.000 0.904 173 L HN 0.382 nan 8.230 nan 0.000 0.435 174 M N -2.005 117.521 119.600 -0.123 0.000 2.117 174 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 174 M C 2.304 178.495 176.300 -0.181 0.000 1.065 174 M CA 1.897 57.084 55.300 -0.189 0.000 1.114 174 M CB -0.439 31.975 32.600 -0.309 0.000 1.361 174 M HN 0.117 nan 8.290 nan 0.000 0.408 175 F N -0.035 119.875 119.950 -0.067 0.000 2.171 175 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 175 F C 2.586 178.340 175.800 -0.077 0.000 1.090 175 F CA 0.888 58.824 58.000 -0.107 0.000 1.293 175 F CB -0.445 38.466 39.000 -0.148 0.000 1.013 175 F HN 0.156 nan 8.300 nan 0.000 0.486 176 A N 0.038 122.917 122.820 0.098 0.000 1.930 176 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 176 A C 2.337 179.923 177.584 0.004 0.000 1.175 176 A CA 1.426 53.480 52.037 0.028 0.000 0.627 176 A CB -1.130 17.864 19.000 -0.010 0.000 0.815 176 A HN 0.298 nan 8.150 nan 0.000 0.443 177 A N -0.655 122.159 122.820 -0.011 0.000 1.972 177 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 177 A C 1.893 179.481 177.584 0.007 0.000 1.169 177 A CA 1.539 53.563 52.037 -0.020 0.000 0.635 177 A CB -0.476 18.502 19.000 -0.037 0.000 0.810 177 A HN 0.382 nan 8.150 nan 0.000 0.446 178 L N -0.425 120.816 121.223 0.030 0.000 2.265 178 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 178 L C 2.346 179.244 176.870 0.047 0.000 1.117 178 L CA 1.918 56.792 54.840 0.057 0.000 0.782 178 L CB -0.680 41.436 42.059 0.095 0.000 0.914 178 L HN 0.537 nan 8.230 nan 0.000 0.441 179 Q N -1.599 118.220 119.800 0.031 0.000 2.352 179 Q HA 0.329 4.669 4.340 -0.000 0.000 0.212 179 Q C 0.782 176.785 176.000 0.004 0.000 0.888 179 Q CA 0.216 56.030 55.803 0.018 0.000 0.934 179 Q CB 0.329 29.071 28.738 0.006 0.000 1.093 179 Q HN 0.395 nan 8.270 nan 0.000 0.523 180 A N 1.335 124.154 122.820 -0.002 0.000 2.332 180 A HA 0.345 4.665 4.320 -0.000 0.000 0.258 180 A C -0.527 177.056 177.584 -0.002 0.000 1.087 180 A CA -0.409 51.622 52.037 -0.011 0.000 0.802 180 A CB 0.396 19.380 19.000 -0.026 0.000 1.042 180 A HN -0.044 nan 8.150 nan 0.000 0.489 181 K N 1.046 121.445 120.400 -0.001 0.000 2.300 181 K HA 0.614 4.934 4.320 -0.000 0.000 0.264 181 K C 0.246 176.851 176.600 0.009 0.000 1.083 181 K CA 0.708 56.998 56.287 0.006 0.000 0.958 181 K CB 0.733 33.237 32.500 0.007 0.000 1.318 181 K HN 1.432 nan 8.250 nan 0.000 0.448 182 G N 0.835 109.641 108.800 0.011 0.000 2.359 182 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.303 182 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.303 182 G C -1.644 173.264 174.900 0.013 0.000 1.293 182 G CA -1.091 44.020 45.100 0.019 0.000 0.964 182 G HN 0.447 nan 8.290 nan 0.000 0.531 183 E N 0.060 120.279 120.200 0.031 0.000 2.167 183 E HA 0.588 4.938 4.350 -0.000 0.000 0.284 183 E C -0.188 176.388 176.600 -0.041 0.000 1.016 183 E CA -0.354 56.065 56.400 0.031 0.000 0.817 183 E CB 0.729 30.476 29.700 0.077 0.000 1.080 183 E HN 0.394 nan 8.360 nan 0.000 0.397 184 S N 2.516 118.166 115.700 -0.084 0.000 2.549 184 S HA 0.491 4.961 4.470 -0.000 0.000 0.297 184 S C -0.920 173.626 174.600 -0.089 0.000 1.115 184 S CA -0.731 57.343 58.200 -0.210 0.000 1.059 184 S CB 1.737 64.850 63.200 -0.146 0.000 1.046 184 S HN 0.395 nan 8.310 nan 0.000 0.506 185 V N 3.643 123.507 119.914 -0.083 0.000 2.482 185 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 185 V C -0.853 175.272 176.094 0.051 0.000 1.026 185 V CA -0.431 61.902 62.300 0.054 0.000 0.856 185 V CB 1.155 33.086 31.823 0.180 0.000 1.001 185 V HN 0.762 nan 8.190 nan 0.000 0.424 186 I N 5.877 126.466 120.570 0.033 0.000 2.362 186 I HA 0.528 4.698 4.170 -0.000 0.000 0.289 186 I C -0.592 175.536 176.117 0.019 0.000 0.994 186 I CA -0.363 60.964 61.300 0.043 0.000 1.158 186 I CB 1.810 39.827 38.000 0.028 0.000 1.315 186 I HN 0.436 nan 8.210 nan 0.000 0.451 187 I N 6.070 126.641 120.570 0.002 0.000 2.362 187 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 187 I C 0.050 176.124 176.117 -0.073 0.000 0.994 187 I CA -0.642 60.632 61.300 -0.043 0.000 1.158 187 I CB 1.279 39.244 38.000 -0.058 0.000 1.315 187 I HN 0.536 nan 8.210 nan 0.000 0.451 188 E N 4.829 124.972 120.200 -0.096 0.000 2.354 188 E HA 0.049 4.399 4.350 -0.000 0.000 0.269 188 E C 0.373 176.873 176.600 -0.167 0.000 1.036 188 E CA -0.339 55.988 56.400 -0.122 0.000 0.876 188 E CB 1.614 31.225 29.700 -0.149 0.000 1.009 188 E HN 0.360 nan 8.360 nan 0.000 0.416 189 K N 1.570 121.889 120.400 -0.136 0.000 2.103 189 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 189 K C 0.104 176.604 176.600 -0.167 0.000 1.052 189 K CA 1.277 57.484 56.287 -0.133 0.000 0.945 189 K CB 0.304 32.748 32.500 -0.094 0.000 0.722 189 K HN 0.365 nan 8.250 nan 0.000 0.443 190 E N -1.768 118.327 120.200 -0.175 0.000 2.392 190 E HA 0.215 4.565 4.350 -0.000 0.000 0.279 190 E C -1.555 174.938 176.600 -0.179 0.000 0.964 190 E CA -0.681 55.600 56.400 -0.197 0.000 0.777 190 E CB 0.506 30.159 29.700 -0.079 0.000 1.249 190 E HN 0.080 nan 8.360 nan 0.000 0.449 191 Y N 1.556 121.841 120.300 -0.026 0.000 2.650 191 Y HA 0.223 4.773 4.550 -0.000 0.000 0.331 191 Y C 1.095 176.974 175.900 -0.034 0.000 1.165 191 Y CA 0.723 58.804 58.100 -0.031 0.000 1.473 191 Y CB 0.505 38.945 38.460 -0.033 0.000 1.224 191 Y HN 0.398 nan 8.280 nan 0.000 0.533 192 T N 0.773 115.390 114.554 0.105 0.000 2.940 192 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 192 T C -0.491 174.208 174.700 -0.001 0.000 1.045 192 T CA -1.624 60.501 62.100 0.041 0.000 1.018 192 T CB 1.077 69.957 68.868 0.021 0.000 1.151 192 T HN 0.611 nan 8.240 nan 0.000 0.529 193 R N 1.787 122.259 120.500 -0.046 0.000 2.523 193 R HA 0.100 4.440 4.340 -0.000 0.000 0.281 193 R C 0.380 176.556 176.300 -0.208 0.000 0.969 193 R CA 0.044 56.035 56.100 -0.182 0.000 1.093 193 R CB -0.507 29.676 30.300 -0.194 0.000 0.917 193 R HN 0.754 nan 8.270 nan 0.000 0.408 194 N N 1.699 120.229 118.700 -0.284 0.000 2.376 194 N HA -0.017 4.723 4.740 -0.000 0.000 0.249 194 N C -0.150 175.283 175.510 -0.128 0.000 1.140 194 N CA -0.109 52.846 53.050 -0.158 0.000 0.870 194 N CB -0.258 38.172 38.487 -0.094 0.000 1.124 194 N HN 0.769 nan 8.380 nan 0.000 0.505 195 H N -0.424 118.675 119.070 0.048 0.000 2.387 195 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 195 H C 1.249 176.625 175.328 0.080 0.000 1.090 195 H CA 2.065 58.150 56.048 0.062 0.000 1.332 195 H CB 0.165 29.982 29.762 0.091 0.000 1.386 195 H HN 0.217 nan 8.280 nan 0.000 0.516 196 T N 0.561 115.230 114.554 0.193 0.000 2.746 196 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 196 T C 1.717 176.477 174.700 0.099 0.000 1.039 196 T CA 1.601 63.813 62.100 0.187 0.000 1.142 196 T CB -0.133 68.731 68.868 -0.007 0.000 0.866 196 T HN 0.407 nan 8.240 nan 0.000 0.444 197 E N 1.174 121.391 120.200 0.028 0.000 2.051 197 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 197 E C 2.168 178.759 176.600 -0.014 0.000 0.991 197 E CA 1.151 57.548 56.400 -0.005 0.000 0.799 197 E CB -0.233 29.454 29.700 -0.020 0.000 0.748 197 E HN 0.367 nan 8.360 nan 0.000 0.449 198 D N -0.003 120.396 120.400 -0.001 0.000 2.084 198 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 198 D C 1.907 178.180 176.300 -0.045 0.000 0.990 198 D CA 1.236 55.232 54.000 -0.006 0.000 0.826 198 D CB -0.201 40.622 40.800 0.038 0.000 0.971 198 D HN 0.210 nan 8.370 nan 0.000 0.453 199 M N -0.154 119.390 119.600 -0.093 0.000 2.296 199 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 199 M C 2.051 178.029 176.300 -0.538 0.000 1.064 199 M CA 0.408 55.534 55.300 -0.289 0.000 1.109 199 M CB -0.033 32.311 32.600 -0.426 0.000 1.396 199 M HN 0.009 nan 8.290 nan 0.000 0.430 200 L N 0.919 121.922 121.223 -0.366 0.000 2.017 200 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 200 L C 2.264 179.130 176.870 -0.007 0.000 1.073 200 L CA 2.019 56.790 54.840 -0.114 0.000 0.745 200 L CB -0.662 41.460 42.059 0.105 0.000 0.894 200 L HN 0.302 nan 8.230 nan 0.000 0.432 201 Q N -0.980 118.807 119.800 -0.023 0.000 2.119 201 Q HA -0.268 4.072 4.340 -0.000 0.000 0.201 201 Q C 2.253 178.255 176.000 0.003 0.000 0.972 201 Q CA 1.740 57.543 55.803 0.001 0.000 0.847 201 Q CB -0.304 28.420 28.738 -0.023 0.000 0.903 201 Q HN 0.679 nan 8.270 nan 0.000 0.433 202 Q N 0.056 119.846 119.800 -0.017 0.000 2.170 202 Q HA -0.145 4.195 4.340 -0.000 0.000 0.203 202 Q C 0.602 176.537 176.000 -0.108 0.000 0.976 202 Q CA 1.033 56.802 55.803 -0.056 0.000 0.858 202 Q CB 0.125 28.831 28.738 -0.052 0.000 0.907 202 Q HN 0.309 nan 8.270 nan 0.000 0.433 203 F N -0.561 119.305 119.950 -0.141 0.000 2.663 203 F HA 0.287 4.814 4.527 -0.000 0.000 0.299 203 F C 1.322 177.130 175.800 0.013 0.000 1.143 203 F CA 0.650 58.617 58.000 -0.056 0.000 1.387 203 F CB 0.592 39.567 39.000 -0.041 0.000 1.019 203 F HN 0.241 nan 8.300 nan 0.000 0.523 204 G N -0.047 108.815 108.800 0.102 0.000 2.159 204 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.256 204 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.256 204 G C 0.808 175.786 174.900 0.130 0.000 0.977 204 G CA -0.101 45.056 45.100 0.094 0.000 0.652 204 G HN 0.764 nan 8.290 nan 0.000 0.531 205 G N -1.222 107.673 108.800 0.158 0.000 2.588 205 G HA2 0.555 4.515 3.960 -0.000 0.000 0.281 205 G HA3 0.555 4.515 3.960 -0.000 0.000 0.281 205 G C -0.460 174.543 174.900 0.171 0.000 1.236 205 G CA 0.206 45.410 45.100 0.173 0.000 0.969 205 G HN 0.742 nan 8.290 nan 0.000 0.504 206 H N -0.719 118.389 119.070 0.064 0.000 2.851 206 H HA 0.642 5.198 4.556 -0.000 0.000 0.372 206 H C -1.051 174.299 175.328 0.036 0.000 1.158 206 H CA -0.514 55.560 56.048 0.043 0.000 1.159 206 H CB 1.958 31.742 29.762 0.036 0.000 1.757 206 H HN 0.638 nan 8.280 nan 0.000 0.546 207 L N 0.916 121.790 121.223 -0.582 0.000 2.720 207 L HA 0.588 4.928 4.340 -0.000 0.000 0.261 207 L C -1.686 174.930 176.870 -0.423 0.000 1.046 207 L CA -0.829 53.830 54.840 -0.301 0.000 0.886 207 L CB 2.064 44.051 42.059 -0.120 0.000 1.493 207 L HN 0.489 nan 8.230 nan 0.000 0.407 208 S N 0.675 116.284 115.700 -0.152 0.000 2.605 208 S HA 0.765 5.235 4.470 -0.000 0.000 0.308 208 S C -1.085 173.493 174.600 -0.036 0.000 1.113 208 S CA -0.412 57.739 58.200 -0.083 0.000 1.049 208 S CB 1.516 64.724 63.200 0.013 0.000 1.001 208 S HN 0.544 nan 8.310 nan 0.000 0.480 209 V N 4.686 124.581 119.914 -0.032 0.000 2.384 209 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 209 V C -0.573 175.532 176.094 0.017 0.000 1.020 209 V CA -0.683 61.616 62.300 -0.001 0.000 0.850 209 V CB 1.570 33.392 31.823 -0.003 0.000 0.987 209 V HN 0.880 nan 8.190 nan 0.000 0.436 210 D N 4.332 124.753 120.400 0.035 0.000 2.404 210 D HA 0.422 5.062 4.640 -0.000 0.000 0.267 210 D C 0.672 177.013 176.300 0.068 0.000 1.194 210 D CA 0.048 54.072 54.000 0.041 0.000 0.910 210 D CB 0.844 41.662 40.800 0.030 0.000 1.090 210 D HN 0.885 nan 8.370 nan 0.000 0.511 211 G N 3.864 112.733 108.800 0.114 0.000 2.186 211 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.229 211 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.229 211 G C 0.863 175.844 174.900 0.136 0.000 0.553 211 G CA 1.162 46.392 45.100 0.217 0.000 1.032 211 G HN 0.745 nan 8.290 nan 0.000 0.354 212 K N -1.636 118.857 120.400 0.155 0.000 3.376 212 K HA -0.257 4.063 4.320 -0.000 0.000 0.326 212 K C 1.236 177.808 176.600 -0.047 0.000 0.744 212 K CA 2.253 58.466 56.287 -0.124 0.000 1.436 212 K CB -0.813 31.497 32.500 -0.317 0.000 1.298 212 K HN 1.028 nan 8.250 nan 0.000 0.463 213 K N 1.892 122.290 120.400 -0.003 0.000 2.234 213 K HA 0.521 4.841 4.320 -0.000 0.000 0.277 213 K C -0.507 176.104 176.600 0.018 0.000 1.038 213 K CA -0.424 55.864 56.287 0.002 0.000 0.888 213 K CB 0.937 33.441 32.500 0.007 0.000 1.091 213 K HN 0.095 nan 8.250 nan 0.000 0.467 214 I N 3.283 123.861 120.570 0.013 0.000 2.362 214 I HA 0.163 4.333 4.170 -0.000 0.000 0.289 214 I C -0.563 175.561 176.117 0.013 0.000 0.994 214 I CA -0.767 60.539 61.300 0.009 0.000 1.158 214 I CB 2.227 40.227 38.000 -0.000 0.000 1.315 214 I HN 0.681 nan 8.210 nan 0.000 0.451 215 T N 5.805 120.369 114.554 0.016 0.000 2.794 215 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 215 T C -0.358 174.363 174.700 0.034 0.000 0.987 215 T CA -0.484 61.635 62.100 0.032 0.000 0.993 215 T CB 1.770 70.671 68.868 0.054 0.000 0.939 215 T HN 0.187 nan 8.240 nan 0.000 0.449 216 V N 3.539 123.472 119.914 0.032 0.000 2.525 216 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 216 V C -0.360 175.764 176.094 0.050 0.000 1.034 216 V CA -0.901 61.426 62.300 0.046 0.000 0.863 216 V CB 1.816 33.646 31.823 0.012 0.000 0.999 216 V HN 0.748 nan 8.190 nan 0.000 0.423 217 Q N 2.693 122.545 119.800 0.088 0.000 2.235 217 Q HA 0.734 5.074 4.340 -0.000 0.000 0.250 217 Q C -0.025 176.005 176.000 0.050 0.000 0.909 217 Q CA 0.196 56.035 55.803 0.059 0.000 0.910 217 Q CB 1.799 30.570 28.738 0.056 0.000 1.223 217 Q HN 0.946 nan 8.270 nan 0.000 0.432 218 G N 3.222 112.040 108.800 0.030 0.000 2.642 218 G HA2 0.661 4.621 3.960 -0.000 0.000 0.293 218 G HA3 0.661 4.621 3.960 -0.000 0.000 0.293 218 G C -2.812 172.102 174.900 0.022 0.000 1.341 218 G CA -1.503 43.614 45.100 0.029 0.000 0.916 218 G HN 0.645 nan 8.290 nan 0.000 0.474 219 P HA 0.286 nan 4.420 nan 0.000 0.279 219 P C -1.016 176.311 177.300 0.045 0.000 1.252 219 P CA -0.185 62.935 63.100 0.033 0.000 0.811 219 P CB 1.755 33.472 31.700 0.029 0.000 1.035 220 Q N 0.509 120.346 119.800 0.062 0.000 2.433 220 Q HA 0.501 4.841 4.340 -0.000 0.000 0.279 220 Q C -0.899 175.152 176.000 0.087 0.000 1.105 220 Q CA -0.985 54.865 55.803 0.078 0.000 0.815 220 Q CB 2.021 30.822 28.738 0.105 0.000 1.403 220 Q HN 0.265 nan 8.270 nan 0.000 0.435 221 K N 1.210 121.666 120.400 0.092 0.000 2.292 221 K HA 0.574 4.894 4.320 -0.000 0.000 0.257 221 K C -1.020 175.657 176.600 0.129 0.000 0.940 221 K CA -0.225 56.120 56.287 0.097 0.000 0.811 221 K CB 1.504 34.049 32.500 0.074 0.000 1.120 221 K HN 0.374 nan 8.250 nan 0.000 0.428 222 L N 1.128 122.447 121.223 0.159 0.000 2.322 222 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 222 L C -0.313 176.680 176.870 0.205 0.000 1.012 222 L CA -0.928 54.045 54.840 0.223 0.000 0.815 222 L CB 2.310 44.558 42.059 0.315 0.000 1.295 222 L HN 0.539 nan 8.230 nan 0.000 0.438 223 T N 0.229 114.913 114.554 0.217 0.000 2.824 223 T HA 0.418 4.768 4.350 -0.000 0.000 0.282 223 T C 0.236 175.014 174.700 0.131 0.000 0.993 223 T CA -0.558 61.623 62.100 0.136 0.000 0.967 223 T CB 1.732 70.633 68.868 0.055 0.000 0.960 223 T HN 0.764 nan 8.240 nan 0.000 0.441 224 G N 2.618 111.489 108.800 0.119 0.000 2.474 224 G HA2 0.384 4.344 3.960 -0.000 0.000 0.233 224 G HA3 0.384 4.344 3.960 -0.000 0.000 0.233 224 G C -0.440 174.368 174.900 -0.153 0.000 1.278 224 G CA -0.131 45.021 45.100 0.087 0.000 0.861 224 G HN 0.498 nan 8.290 nan 0.000 0.567 225 Q N -0.463 119.146 119.800 -0.319 0.000 2.605 225 Q HA 0.384 4.724 4.340 -0.000 0.000 0.296 225 Q C -0.613 175.289 176.000 -0.163 0.000 1.056 225 Q CA -0.950 54.606 55.803 -0.412 0.000 0.778 225 Q CB 2.304 30.482 28.738 -0.933 0.000 1.497 225 Q HN 0.690 nan 8.270 nan 0.000 0.443 226 K N 0.845 121.184 120.400 -0.100 0.000 2.213 226 K HA 0.489 4.809 4.320 -0.000 0.000 0.270 226 K C -0.733 175.893 176.600 0.043 0.000 1.002 226 K CA -0.449 55.876 56.287 0.064 0.000 0.868 226 K CB 0.859 33.399 32.500 0.067 0.000 1.093 226 K HN 0.439 nan 8.250 nan 0.000 0.454 227 V N 1.395 121.402 119.914 0.154 0.000 2.487 227 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 227 V C -0.727 175.482 176.094 0.192 0.000 1.028 227 V CA -0.936 61.442 62.300 0.131 0.000 0.860 227 V CB 1.553 33.472 31.823 0.161 0.000 0.991 227 V HN 0.438 nan 8.190 nan 0.000 0.427 228 V N 5.595 125.574 119.914 0.109 0.000 2.328 228 V HA 0.361 4.481 4.120 -0.000 0.000 0.278 228 V C 0.257 176.389 176.094 0.064 0.000 1.021 228 V CA -0.473 61.887 62.300 0.099 0.000 0.838 228 V CB 1.491 33.323 31.823 0.015 0.000 0.999 228 V HN 0.797 nan 8.190 nan 0.000 0.447 229 V N 8.886 128.840 119.914 0.068 0.000 2.455 229 V HA 0.275 4.395 4.120 -0.000 0.000 0.273 229 V C -1.507 174.595 176.094 0.013 0.000 1.045 229 V CA -1.167 61.149 62.300 0.027 0.000 0.976 229 V CB 1.121 32.953 31.823 0.014 0.000 0.993 229 V HN 0.736 nan 8.190 nan 0.000 0.475 230 P HA 0.260 nan 4.420 nan 0.000 0.276 230 P C 0.197 177.491 177.300 -0.009 0.000 1.252 230 P CA -0.166 62.933 63.100 -0.001 0.000 0.802 230 P CB 0.966 32.667 31.700 0.001 0.000 1.035 231 G N 0.503 109.302 108.800 -0.001 0.000 2.491 231 G HA2 0.034 3.994 3.960 -0.000 0.000 0.238 231 G HA3 0.034 3.994 3.960 -0.000 0.000 0.238 231 G C -0.269 174.624 174.900 -0.011 0.000 1.277 231 G CA -0.104 44.992 45.100 -0.007 0.000 0.851 231 G HN 0.472 nan 8.290 nan 0.000 0.573 232 D N 1.142 121.525 120.400 -0.028 0.000 2.317 232 D HA 0.033 4.673 4.640 -0.000 0.000 0.252 232 D C 1.427 177.727 176.300 0.000 0.000 1.174 232 D CA -0.402 53.586 54.000 -0.021 0.000 0.866 232 D CB 1.153 41.932 40.800 -0.036 0.000 1.127 232 D HN 0.221 nan 8.370 nan 0.000 0.467 233 I N 2.889 123.464 120.570 0.010 0.000 2.493 233 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 233 I C 1.654 177.752 176.117 -0.033 0.000 1.160 233 I CA 0.684 61.988 61.300 0.008 0.000 1.445 233 I CB 0.294 38.302 38.000 0.014 0.000 1.086 233 I HN 0.233 nan 8.210 nan 0.000 0.433 234 S N 0.137 115.814 115.700 -0.039 0.000 2.402 234 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 234 S C 2.031 176.544 174.600 -0.145 0.000 1.021 234 S CA 1.575 59.713 58.200 -0.104 0.000 0.974 234 S CB -0.052 63.130 63.200 -0.030 0.000 0.800 234 S HN 0.505 nan 8.310 nan 0.000 0.484 235 S N 1.334 117.034 115.700 -0.001 0.000 2.406 235 S HA 0.153 4.623 4.470 -0.000 0.000 0.224 235 S C 2.234 176.962 174.600 0.212 0.000 1.030 235 S CA 0.685 58.979 58.200 0.157 0.000 0.958 235 S CB -0.302 62.833 63.200 -0.108 0.000 0.811 235 S HN 0.576 nan 8.310 nan 0.000 0.489 236 A N 1.746 124.647 122.820 0.135 0.000 1.972 236 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 236 A C 2.306 179.948 177.584 0.097 0.000 1.169 236 A CA 1.526 53.704 52.037 0.236 0.000 0.635 236 A CB -0.974 18.121 19.000 0.158 0.000 0.810 236 A HN 0.489 nan 8.150 nan 0.000 0.446 237 A N -0.756 121.998 122.820 -0.110 0.000 1.986 237 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 237 A C 1.931 179.337 177.584 -0.297 0.000 1.171 237 A CA 1.614 53.508 52.037 -0.238 0.000 0.640 237 A CB -0.877 17.886 19.000 -0.395 0.000 0.811 237 A HN 0.549 nan 8.150 nan 0.000 0.451 238 F N -2.151 117.678 119.950 -0.202 0.000 2.216 238 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 238 F C 2.120 177.691 175.800 -0.382 0.000 1.085 238 F CA 1.070 58.843 58.000 -0.379 0.000 1.326 238 F CB -0.382 38.262 39.000 -0.593 0.000 1.027 238 F HN 0.385 nan 8.300 nan 0.000 0.497 239 W N -0.263 121.204 121.300 0.279 0.000 2.523 239 W HA 0.064 4.724 4.660 -0.000 0.000 0.278 239 W C 2.032 178.606 176.519 0.093 0.000 1.236 239 W CA -0.010 57.435 57.345 0.167 0.000 1.306 239 W CB -0.484 29.067 29.460 0.151 0.000 1.101 239 W HN -0.100 nan 8.180 nan 0.000 0.577 240 L N -0.163 121.197 121.223 0.228 0.000 2.012 240 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 240 L C 2.197 179.122 176.870 0.093 0.000 1.073 240 L CA 1.067 55.985 54.840 0.129 0.000 0.748 240 L CB -1.238 40.856 42.059 0.058 0.000 0.891 240 L HN -0.105 nan 8.230 nan 0.000 0.431 241 V N -0.117 119.832 119.914 0.058 0.000 2.358 241 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 241 V C 2.742 178.881 176.094 0.075 0.000 1.047 241 V CA 1.634 63.960 62.300 0.042 0.000 1.035 241 V CB -0.849 30.979 31.823 0.008 0.000 0.658 241 V HN 0.464 nan 8.190 nan 0.000 0.452 242 A N 0.796 123.691 122.820 0.125 0.000 1.883 242 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 242 A C 2.448 180.105 177.584 0.121 0.000 1.186 242 A CA 2.139 54.266 52.037 0.150 0.000 0.624 242 A CB -1.375 17.794 19.000 0.281 0.000 0.822 242 A HN 0.527 nan 8.150 nan 0.000 0.444 243 G N -0.402 108.482 108.800 0.140 0.000 2.442 243 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 243 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 243 G C 1.545 176.477 174.900 0.052 0.000 1.141 243 G CA 1.133 46.285 45.100 0.087 0.000 0.763 243 G HN 0.449 nan 8.290 nan 0.000 0.554 244 L N -0.606 120.648 121.223 0.053 0.000 2.131 244 L HA 0.097 4.437 4.340 -0.000 0.000 0.206 244 L C 2.612 179.496 176.870 0.023 0.000 1.087 244 L CA 0.227 55.087 54.840 0.033 0.000 0.767 244 L CB -0.192 41.885 42.059 0.030 0.000 0.917 244 L HN 0.104 nan 8.230 nan 0.000 0.441 245 I N -0.055 120.532 120.570 0.028 0.000 2.400 245 I HA 0.000 4.170 4.170 -0.000 0.000 0.248 245 I C 1.475 177.598 176.117 0.009 0.000 1.109 245 I CA 0.236 61.547 61.300 0.019 0.000 1.425 245 I CB -0.442 37.574 38.000 0.025 0.000 1.094 245 I HN 0.029 nan 8.210 nan 0.000 0.425 246 A N 2.332 125.159 122.820 0.010 0.000 2.351 246 A HA 0.461 4.781 4.320 -0.000 0.000 0.257 246 A C -2.266 175.291 177.584 -0.045 0.000 1.087 246 A CA -1.069 50.961 52.037 -0.013 0.000 0.798 246 A CB -0.606 18.390 19.000 -0.007 0.000 1.033 246 A HN 0.038 nan 8.150 nan 0.000 0.488 247 P HA 0.075 nan 4.420 nan 0.000 0.274 247 P C -0.715 176.473 177.300 -0.186 0.000 1.231 247 P CA -0.267 62.767 63.100 -0.110 0.000 0.790 247 P CB 0.353 31.982 31.700 -0.118 0.000 0.951 248 N N -1.032 117.579 118.700 -0.148 0.000 2.699 248 N HA -0.125 4.615 4.740 -0.000 0.000 0.256 248 N C -0.611 174.835 175.510 -0.107 0.000 0.993 248 N CA 1.033 54.018 53.050 -0.110 0.000 0.759 248 N CB -1.570 36.737 38.487 -0.300 0.000 0.906 248 N HN 0.353 nan 8.380 nan 0.000 0.541 249 S N 0.112 115.761 115.700 -0.085 0.000 2.532 249 S HA 0.689 5.159 4.470 -0.000 0.000 0.301 249 S C 0.320 174.935 174.600 0.025 0.000 1.083 249 S CA -0.769 57.338 58.200 -0.154 0.000 1.025 249 S CB 2.923 66.058 63.200 -0.109 0.000 1.056 249 S HN 0.467 nan 8.310 nan 0.000 0.494 250 R N 2.531 123.078 120.500 0.079 0.000 2.810 250 R HA 0.432 4.772 4.340 -0.000 0.000 0.280 250 R C -2.264 174.111 176.300 0.124 0.000 1.517 250 R CA -0.060 56.135 56.100 0.159 0.000 1.063 250 R CB -0.359 30.091 30.300 0.250 0.000 1.275 250 R HN 0.613 nan 8.270 nan 0.000 0.464 251 L N 4.368 125.634 121.223 0.072 0.000 2.329 251 L HA 0.708 5.048 4.340 -0.000 0.000 0.279 251 L C -0.209 176.690 176.870 0.047 0.000 1.014 251 L CA -1.519 53.349 54.840 0.046 0.000 0.814 251 L CB 2.153 44.247 42.059 0.058 0.000 1.257 251 L HN 0.463 nan 8.230 nan 0.000 0.424 252 V N 2.076 122.003 119.914 0.022 0.000 2.409 252 V HA 0.559 4.679 4.120 -0.000 0.000 0.291 252 V C -0.541 175.562 176.094 0.016 0.000 1.020 252 V CA -0.581 61.733 62.300 0.024 0.000 0.848 252 V CB 1.485 33.318 31.823 0.017 0.000 0.990 252 V HN 0.577 nan 8.190 nan 0.000 0.430 253 L N 5.423 126.672 121.223 0.043 0.000 2.294 253 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 253 L C 0.248 177.144 176.870 0.044 0.000 1.015 253 L CA -0.333 54.540 54.840 0.056 0.000 0.831 253 L CB 1.391 43.519 42.059 0.116 0.000 1.217 253 L HN 0.728 nan 8.230 nan 0.000 0.420 254 Q N 1.566 121.384 119.800 0.030 0.000 2.212 254 Q HA 0.227 4.567 4.340 -0.000 0.000 0.238 254 Q C 0.275 176.291 176.000 0.027 0.000 0.955 254 Q CA -0.795 55.023 55.803 0.024 0.000 0.906 254 Q CB 0.857 29.603 28.738 0.013 0.000 1.215 254 Q HN 0.532 nan 8.270 nan 0.000 0.478 255 N N -0.429 118.284 118.700 0.021 0.000 2.725 255 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 255 N C -1.736 173.787 175.510 0.023 0.000 1.031 255 N CA 0.244 53.305 53.050 0.018 0.000 0.720 255 N CB -0.814 37.682 38.487 0.015 0.000 0.930 255 N HN 0.319 nan 8.380 nan 0.000 0.543 256 V N 0.275 120.206 119.914 0.028 0.000 2.407 256 V HA 0.602 4.722 4.120 -0.000 0.000 0.278 256 V C 1.650 177.760 176.094 0.026 0.000 1.037 256 V CA -0.350 61.969 62.300 0.032 0.000 0.900 256 V CB 1.256 33.106 31.823 0.045 0.000 0.983 256 V HN 0.424 nan 8.190 nan 0.000 0.459 257 G N 3.416 112.231 108.800 0.024 0.000 2.414 257 G HA2 0.295 4.255 3.960 -0.000 0.000 0.236 257 G HA3 0.295 4.255 3.960 -0.000 0.000 0.236 257 G C 0.109 175.032 174.900 0.038 0.000 1.293 257 G CA -0.069 45.050 45.100 0.031 0.000 0.869 257 G HN 0.841 nan 8.290 nan 0.000 0.556 258 I N 1.696 122.289 120.570 0.038 0.000 3.426 258 I HA 0.144 4.314 4.170 -0.000 0.000 0.329 258 I C 0.377 176.511 176.117 0.029 0.000 1.553 258 I CA -0.665 60.653 61.300 0.030 0.000 1.019 258 I CB -0.137 37.874 38.000 0.019 0.000 1.376 258 I HN 0.404 nan 8.210 nan 0.000 0.525 259 N N 1.702 120.434 118.700 0.053 0.000 2.411 259 N HA -0.110 4.630 4.740 -0.000 0.000 0.265 259 N C 0.948 176.462 175.510 0.006 0.000 1.266 259 N CA 0.682 53.756 53.050 0.040 0.000 0.889 259 N CB 1.166 39.709 38.487 0.094 0.000 1.069 259 N HN 0.273 nan 8.380 nan 0.000 0.476 260 E N 1.247 121.436 120.200 -0.019 0.000 2.284 260 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 260 E C 1.341 177.917 176.600 -0.040 0.000 1.008 260 E CA 1.539 57.919 56.400 -0.034 0.000 0.829 260 E CB -0.138 29.529 29.700 -0.054 0.000 0.744 260 E HN 0.793 nan 8.360 nan 0.000 0.491 261 T N -2.781 111.741 114.554 -0.053 0.000 3.169 261 T HA 0.154 4.504 4.350 -0.000 0.000 0.250 261 T C 1.282 175.963 174.700 -0.031 0.000 1.111 261 T CA -0.080 61.987 62.100 -0.055 0.000 1.010 261 T CB 0.221 69.031 68.868 -0.096 0.000 0.984 261 T HN -0.031 nan 8.240 nan 0.000 0.537 262 R N 0.355 120.852 120.500 -0.004 0.000 2.539 262 R HA 0.126 4.466 4.340 -0.000 0.000 0.342 262 R C 1.127 177.435 176.300 0.014 0.000 0.941 262 R CA 0.661 56.775 56.100 0.025 0.000 1.146 262 R CB 0.484 30.835 30.300 0.085 0.000 1.541 262 R HN 0.561 nan 8.270 nan 0.000 0.525 263 T N -2.559 111.997 114.554 0.003 0.000 3.278 263 T HA 0.104 4.454 4.350 -0.000 0.000 0.251 263 T C 1.654 176.349 174.700 -0.009 0.000 1.039 263 T CA 0.377 62.476 62.100 -0.002 0.000 0.935 263 T CB 0.581 69.448 68.868 -0.001 0.000 1.034 263 T HN 0.162 nan 8.240 nan 0.000 0.575 264 G N 2.073 110.866 108.800 -0.011 0.000 2.469 264 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 264 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 264 G C 1.256 176.144 174.900 -0.020 0.000 1.136 264 G CA 0.752 45.843 45.100 -0.014 0.000 0.759 264 G HN 0.616 nan 8.290 nan 0.000 0.562 265 I N 0.250 120.802 120.570 -0.029 0.000 2.454 265 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 265 I C 2.481 178.585 176.117 -0.022 0.000 1.156 265 I CA 0.631 61.910 61.300 -0.036 0.000 1.433 265 I CB -0.020 37.945 38.000 -0.059 0.000 1.082 265 I HN 0.191 nan 8.210 nan 0.000 0.432 266 I N 0.727 121.288 120.570 -0.014 0.000 2.202 266 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 266 I C 1.958 178.072 176.117 -0.006 0.000 1.091 266 I CA 1.370 62.666 61.300 -0.006 0.000 1.368 266 I CB -0.571 37.428 38.000 -0.002 0.000 1.058 266 I HN 0.234 nan 8.210 nan 0.000 0.410 267 D N 0.599 120.994 120.400 -0.008 0.000 2.123 267 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 267 D C 2.320 178.615 176.300 -0.008 0.000 0.992 267 D CA 1.100 55.096 54.000 -0.007 0.000 0.833 267 D CB -0.455 40.340 40.800 -0.008 0.000 0.954 267 D HN 0.150 nan 8.370 nan 0.000 0.455 268 V N 1.185 121.093 119.914 -0.011 0.000 2.343 268 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 268 V C 2.525 178.614 176.094 -0.009 0.000 1.051 268 V CA 1.059 63.352 62.300 -0.012 0.000 1.036 268 V CB -0.362 31.451 31.823 -0.018 0.000 0.654 268 V HN 0.196 nan 8.190 nan 0.000 0.451 269 I N -0.702 119.863 120.570 -0.008 0.000 2.208 269 I HA -0.222 3.947 4.170 -0.000 0.000 0.245 269 I C 2.827 178.944 176.117 0.000 0.000 1.097 269 I CA 1.334 62.632 61.300 -0.003 0.000 1.363 269 I CB -0.460 37.541 38.000 0.001 0.000 1.051 269 I HN 0.235 nan 8.210 nan 0.000 0.413 270 R N 0.923 121.423 120.500 -0.000 0.000 2.073 270 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 270 R C 2.397 178.697 176.300 0.000 0.000 1.134 270 R CA 1.622 57.723 56.100 0.001 0.000 0.952 270 R CB -0.920 29.380 30.300 0.000 0.000 0.850 270 R HN 0.369 nan 8.270 nan 0.000 0.433 271 A N 1.004 123.823 122.820 -0.002 0.000 1.978 271 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 271 A C 2.143 179.726 177.584 -0.001 0.000 1.170 271 A CA 1.541 53.577 52.037 -0.002 0.000 0.636 271 A CB -0.396 18.601 19.000 -0.004 0.000 0.810 271 A HN 0.235 nan 8.150 nan 0.000 0.448 272 M N -1.680 117.919 119.600 -0.002 0.000 2.595 272 M HA 0.162 4.642 4.480 -0.000 0.000 0.248 272 M C 1.311 177.612 176.300 0.001 0.000 1.119 272 M CA 0.797 56.096 55.300 -0.001 0.000 1.079 272 M CB 0.186 32.785 32.600 -0.002 0.000 1.472 272 M HN 0.648 nan 8.290 nan 0.000 0.501 273 G N 0.879 109.681 108.800 0.003 0.000 2.132 273 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.228 273 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.228 273 G C 0.233 175.137 174.900 0.007 0.000 1.000 273 G CA -0.229 44.874 45.100 0.004 0.000 0.693 273 G HN 0.624 nan 8.290 nan 0.000 0.515 274 G N -0.312 108.493 108.800 0.008 0.000 2.503 274 G HA2 0.499 4.458 3.960 -0.000 0.000 0.257 274 G HA3 0.499 4.458 3.960 -0.000 0.000 0.257 274 G C 0.133 175.042 174.900 0.014 0.000 1.214 274 G CA -0.495 44.612 45.100 0.011 0.000 0.839 274 G HN 0.404 nan 8.290 nan 0.000 0.559 275 K N 0.765 121.176 120.400 0.018 0.000 2.250 275 K HA 0.305 4.625 4.320 -0.000 0.000 0.285 275 K C -0.775 175.840 176.600 0.025 0.000 1.097 275 K CA -0.327 55.973 56.287 0.020 0.000 0.913 275 K CB 1.005 33.519 32.500 0.023 0.000 1.179 275 K HN 0.230 nan 8.250 nan 0.000 0.462 276 L N 2.071 123.307 121.223 0.021 0.000 2.386 276 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 276 L C -1.130 175.753 176.870 0.021 0.000 0.993 276 L CA -0.293 54.561 54.840 0.024 0.000 0.819 276 L CB 1.890 43.961 42.059 0.021 0.000 1.294 276 L HN 0.603 nan 8.230 nan 0.000 0.414 277 E N 4.858 125.072 120.200 0.024 0.000 2.234 277 E HA 0.497 4.847 4.350 -0.000 0.000 0.266 277 E C -1.626 174.986 176.600 0.020 0.000 0.877 277 E CA -0.590 55.822 56.400 0.020 0.000 0.758 277 E CB 1.497 31.209 29.700 0.020 0.000 1.170 277 E HN 0.688 nan 8.360 nan 0.000 0.415 278 I N 4.790 125.369 120.570 0.016 0.000 2.354 278 I HA 0.273 4.443 4.170 -0.000 0.000 0.286 278 I C 0.071 176.195 176.117 0.012 0.000 1.007 278 I CA -0.383 60.926 61.300 0.015 0.000 1.167 278 I CB 1.370 39.377 38.000 0.012 0.000 1.320 278 I HN 0.563 nan 8.210 nan 0.000 0.458 279 T N 0.394 114.956 114.554 0.013 0.000 2.858 279 T HA 0.452 4.802 4.350 -0.000 0.000 0.285 279 T C 0.025 174.730 174.700 0.009 0.000 1.052 279 T CA -0.776 61.330 62.100 0.010 0.000 1.009 279 T CB 1.513 70.387 68.868 0.010 0.000 1.241 279 T HN 0.590 nan 8.240 nan 0.000 0.542 280 E N 0.043 120.246 120.200 0.006 0.000 2.228 280 E HA -0.153 4.197 4.350 -0.000 0.000 0.213 280 E C -0.553 176.049 176.600 0.004 0.000 1.282 280 E CA 0.080 56.482 56.400 0.004 0.000 0.707 280 E CB -1.539 28.164 29.700 0.005 0.000 1.150 280 E HN 0.531 nan 8.360 nan 0.000 0.362 281 I N 1.124 121.695 120.570 0.003 0.000 2.471 281 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 281 I C 0.820 176.937 176.117 -0.001 0.000 1.079 281 I CA 0.152 61.453 61.300 0.002 0.000 1.398 281 I CB 0.448 38.449 38.000 0.001 0.000 1.403 281 I HN 0.106 nan 8.210 nan 0.000 0.530 282 D N 9.451 129.850 120.400 -0.000 0.000 2.467 282 D HA 0.227 4.867 4.640 -0.000 0.000 0.220 282 D C -1.842 174.456 176.300 -0.004 0.000 1.103 282 D CA -2.020 51.977 54.000 -0.004 0.000 0.886 282 D CB 1.669 42.467 40.800 -0.004 0.000 1.025 282 D HN 0.195 nan 8.370 nan 0.000 0.514 283 P HA -0.150 nan 4.420 nan 0.000 0.221 283 P C 1.419 178.714 177.300 -0.008 0.000 1.145 283 P CA 0.810 63.905 63.100 -0.007 0.000 0.795 283 P CB 0.363 32.057 31.700 -0.009 0.000 0.775 284 V N -3.626 116.283 119.914 -0.009 0.000 2.484 284 V HA 0.199 4.319 4.120 -0.000 0.000 0.236 284 V C 2.159 178.249 176.094 -0.007 0.000 1.062 284 V CA 1.123 63.417 62.300 -0.011 0.000 1.081 284 V CB -1.795 30.018 31.823 -0.016 0.000 0.751 284 V HN -0.033 nan 8.190 nan 0.000 0.484 285 A N -0.262 122.554 122.820 -0.007 0.000 2.172 285 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 285 A C 1.168 178.758 177.584 0.009 0.000 1.154 285 A CA 1.030 53.066 52.037 -0.001 0.000 0.701 285 A CB -0.867 18.130 19.000 -0.005 0.000 0.789 285 A HN 0.765 nan 8.150 nan 0.000 0.465 286 K N 0.080 120.484 120.400 0.007 0.000 3.619 286 K HA -0.141 4.179 4.320 -0.000 0.000 0.275 286 K C -0.190 176.421 176.600 0.018 0.000 0.993 286 K CA 0.683 56.978 56.287 0.013 0.000 0.787 286 K CB -2.324 30.189 32.500 0.022 0.000 1.431 286 K HN 0.878 nan 8.250 nan 0.000 0.451 287 S N -1.150 114.557 115.700 0.012 0.000 2.651 287 S HA 0.942 5.412 4.470 -0.000 0.000 0.279 287 S C -0.790 173.817 174.600 0.012 0.000 1.148 287 S CA -0.325 57.884 58.200 0.014 0.000 0.837 287 S CB 3.007 66.213 63.200 0.011 0.000 1.138 287 S HN 0.877 nan 8.310 nan 0.000 0.478 288 A N 0.352 123.181 122.820 0.015 0.000 2.511 288 A HA 0.796 5.116 4.320 -0.000 0.000 0.293 288 A C -0.910 176.685 177.584 0.020 0.000 1.098 288 A CA -0.779 51.266 52.037 0.015 0.000 0.643 288 A CB 0.804 19.813 19.000 0.014 0.000 1.302 288 A HN 0.888 nan 8.150 nan 0.000 0.446 289 T N 1.148 115.713 114.554 0.019 0.000 2.771 289 T HA 0.576 4.926 4.350 -0.000 0.000 0.281 289 T C -1.090 173.627 174.700 0.028 0.000 0.982 289 T CA -0.084 62.030 62.100 0.024 0.000 0.978 289 T CB 0.443 69.322 68.868 0.018 0.000 0.930 289 T HN 0.365 nan 8.240 nan 0.000 0.447 290 L N 4.623 125.870 121.223 0.039 0.000 2.305 290 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 290 L C -0.253 176.647 176.870 0.050 0.000 1.013 290 L CA -0.342 54.524 54.840 0.044 0.000 0.819 290 L CB 1.088 43.179 42.059 0.054 0.000 1.227 290 L HN 0.608 nan 8.230 nan 0.000 0.417 291 I N 3.831 124.427 120.570 0.043 0.000 2.406 291 I HA 0.582 4.752 4.170 -0.000 0.000 0.290 291 I C -0.469 175.678 176.117 0.049 0.000 0.999 291 I CA -0.727 60.601 61.300 0.046 0.000 1.124 291 I CB 1.993 40.015 38.000 0.036 0.000 1.289 291 I HN 0.193 nan 8.210 nan 0.000 0.441 292 V N 5.748 125.698 119.914 0.060 0.000 2.960 292 V HA 0.591 4.711 4.120 -0.000 0.000 0.315 292 V C -0.592 175.537 176.094 0.059 0.000 1.087 292 V CA -0.430 61.906 62.300 0.059 0.000 0.982 292 V CB 2.446 34.312 31.823 0.073 0.000 1.039 292 V HN 0.924 nan 8.190 nan 0.000 0.437 293 E N 0.830 121.060 120.200 0.049 0.000 2.375 293 E HA 0.438 4.788 4.350 -0.000 0.000 0.280 293 E C -1.193 175.428 176.600 0.034 0.000 0.972 293 E CA -0.772 55.657 56.400 0.048 0.000 0.782 293 E CB 1.644 31.377 29.700 0.055 0.000 1.229 293 E HN 0.388 nan 8.360 nan 0.000 0.439 294 S N 1.507 117.222 115.700 0.025 0.000 3.116 294 S HA 0.056 4.526 4.470 -0.000 0.000 0.367 294 S C -0.493 174.116 174.600 0.015 0.000 1.202 294 S CA 0.541 58.748 58.200 0.013 0.000 1.018 294 S CB -0.188 63.012 63.200 0.000 0.000 0.726 294 S HN 0.486 nan 8.310 nan 0.000 0.506 295 S N 1.592 117.299 115.700 0.012 0.000 2.588 295 S HA 0.432 4.902 4.470 -0.000 0.000 0.275 295 S C -1.357 173.248 174.600 0.008 0.000 1.130 295 S CA -1.085 57.121 58.200 0.011 0.000 0.855 295 S CB 1.459 64.667 63.200 0.014 0.000 1.116 295 S HN 0.615 nan 8.310 nan 0.000 0.472 296 D N 1.939 122.343 120.400 0.007 0.000 2.274 296 D HA 0.524 5.164 4.640 -0.000 0.000 0.239 296 D C -0.526 175.777 176.300 0.005 0.000 1.104 296 D CA -0.107 53.896 54.000 0.005 0.000 0.840 296 D CB 0.830 41.633 40.800 0.005 0.000 1.100 296 D HN 0.284 nan 8.370 nan 0.000 0.477 297 L N 1.860 123.085 121.223 0.004 0.000 2.332 297 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 297 L C 0.483 177.354 176.870 0.002 0.000 1.016 297 L CA -1.018 53.824 54.840 0.003 0.000 0.809 297 L CB 1.266 43.326 42.059 0.002 0.000 1.280 297 L HN 0.210 nan 8.230 nan 0.000 0.447 298 K N -0.358 120.043 120.400 0.001 0.000 2.435 298 K HA 0.707 5.027 4.320 -0.000 0.000 0.251 298 K C -0.211 176.388 176.600 -0.001 0.000 0.954 298 K CA -0.866 55.421 56.287 0.000 0.000 0.820 298 K CB 1.768 34.268 32.500 0.001 0.000 1.292 298 K HN 0.566 nan 8.250 nan 0.000 0.436 299 G N 0.234 109.033 108.800 -0.002 0.000 2.699 299 G HA2 0.364 4.324 3.960 -0.000 0.000 0.246 299 G HA3 0.364 4.324 3.960 -0.000 0.000 0.246 299 G C -0.693 174.205 174.900 -0.003 0.000 1.219 299 G CA 0.030 45.128 45.100 -0.003 0.000 0.866 299 G HN 0.603 nan 8.290 nan 0.000 0.572 300 T N -1.586 112.965 114.554 -0.005 0.000 2.711 300 T HA 0.439 4.789 4.350 -0.000 0.000 0.302 300 T C -1.497 173.200 174.700 -0.006 0.000 1.373 300 T CA -0.616 61.481 62.100 -0.005 0.000 1.000 300 T CB 1.668 70.533 68.868 -0.005 0.000 1.483 300 T HN 0.644 nan 8.240 nan 0.000 0.499 301 E N 1.338 121.535 120.200 -0.005 0.000 2.179 301 E HA 0.640 4.990 4.350 -0.000 0.000 0.275 301 E C -1.167 175.429 176.600 -0.006 0.000 0.945 301 E CA -0.630 55.767 56.400 -0.006 0.000 0.792 301 E CB 0.899 30.597 29.700 -0.005 0.000 1.125 301 E HN 0.496 nan 8.360 nan 0.000 0.397 302 I N 5.984 126.549 120.570 -0.008 0.000 2.411 302 I HA 0.374 4.544 4.170 -0.000 0.000 0.284 302 I C -0.337 175.776 176.117 -0.007 0.000 1.012 302 I CA -0.629 60.666 61.300 -0.008 0.000 1.119 302 I CB 0.780 38.773 38.000 -0.012 0.000 1.261 302 I HN 0.724 nan 8.210 nan 0.000 0.448 303 C N 2.570 121.867 119.300 -0.005 0.000 3.276 303 C HA 0.860 5.320 4.460 -0.000 0.000 0.370 303 C C 0.723 175.712 174.990 -0.001 0.000 1.624 303 C CA -0.529 58.486 59.018 -0.004 0.000 1.179 303 C CB 0.747 28.484 27.740 -0.005 0.000 1.909 303 C HN 1.033 nan 8.230 nan 0.000 0.434 304 G N 0.285 109.084 108.800 -0.002 0.000 2.969 304 G HA2 0.292 4.252 3.960 -0.000 0.000 0.303 304 G HA3 0.292 4.252 3.960 -0.000 0.000 0.303 304 G C 1.225 176.130 174.900 0.009 0.000 0.230 304 G CA 1.887 46.987 45.100 0.000 0.000 1.225 304 G HN 2.912 nan 8.290 nan 0.000 0.295 305 A N 1.249 124.077 122.820 0.014 0.000 1.692 305 A HA -0.333 3.987 4.320 -0.000 0.000 0.227 305 A C 2.135 179.739 177.584 0.032 0.000 0.391 305 A CA 2.454 54.512 52.037 0.035 0.000 1.099 305 A CB -1.610 17.419 19.000 0.049 0.000 1.456 305 A HN 2.287 nan 8.150 nan 0.000 0.714 306 L N 0.260 121.494 121.223 0.018 0.000 2.131 306 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 306 L C 2.192 179.066 176.870 0.006 0.000 1.092 306 L CA 2.288 57.134 54.840 0.011 0.000 0.759 306 L CB -0.340 41.721 42.059 0.003 0.000 0.903 306 L HN 0.619 nan 8.230 nan 0.000 0.435 307 I N 0.633 121.205 120.570 0.004 0.000 2.091 307 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 307 I C 0.005 176.124 176.117 0.004 0.000 1.061 307 I CA 1.796 63.096 61.300 0.000 0.000 1.317 307 I CB -2.863 35.136 38.000 -0.002 0.000 1.031 307 I HN 0.247 nan 8.210 nan 0.000 0.401 308 P HA -0.122 nan 4.420 nan 0.000 0.221 308 P C 1.526 178.835 177.300 0.015 0.000 1.145 308 P CA 1.409 64.518 63.100 0.015 0.000 0.795 308 P CB -0.140 31.574 31.700 0.023 0.000 0.775 309 R N -0.862 119.645 120.500 0.012 0.000 2.276 309 R HA 0.072 4.412 4.340 -0.000 0.000 0.203 309 R C 0.503 176.802 176.300 -0.002 0.000 1.017 309 R CA 0.856 56.959 56.100 0.006 0.000 1.010 309 R CB -0.250 30.053 30.300 0.004 0.000 0.900 309 R HN 0.259 nan 8.270 nan 0.000 0.469 310 L N -4.040 117.178 121.223 -0.007 0.000 3.573 310 L HA 0.265 4.605 4.340 -0.000 0.000 0.335 310 L C 0.884 177.739 176.870 -0.026 0.000 1.321 310 L CA -0.112 54.715 54.840 -0.022 0.000 1.009 310 L CB -0.469 41.572 42.059 -0.029 0.000 1.417 310 L HN -0.210 nan 8.230 nan 0.000 0.619 311 I N 1.161 121.725 120.570 -0.011 0.000 2.194 311 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 311 I C 1.567 177.673 176.117 -0.018 0.000 1.093 311 I CA 1.893 63.188 61.300 -0.009 0.000 1.355 311 I CB -0.023 37.980 38.000 0.005 0.000 1.046 311 I HN 0.364 nan 8.210 nan 0.000 0.413 312 D N -0.061 120.328 120.400 -0.019 0.000 2.347 312 D HA -0.070 4.569 4.640 -0.000 0.000 0.215 312 D C 1.772 178.016 176.300 -0.094 0.000 0.976 312 D CA 0.530 54.510 54.000 -0.034 0.000 0.884 312 D CB 0.007 40.806 40.800 -0.001 0.000 0.915 312 D HN 0.420 nan 8.370 nan 0.000 0.526 313 E N -0.296 119.842 120.200 -0.104 0.000 2.474 313 E HA 0.138 4.488 4.350 -0.000 0.000 0.194 313 E C 1.959 178.487 176.600 -0.120 0.000 1.041 313 E CA -0.096 56.208 56.400 -0.161 0.000 0.874 313 E CB 0.022 29.633 29.700 -0.148 0.000 0.914 313 E HN 0.244 nan 8.360 nan 0.000 0.498 314 L N 0.738 121.916 121.223 -0.076 0.000 2.127 314 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 314 L C -0.733 176.106 176.870 -0.051 0.000 1.089 314 L CA 1.287 56.094 54.840 -0.054 0.000 0.757 314 L CB -1.270 40.768 42.059 -0.036 0.000 0.899 314 L HN 0.163 nan 8.230 nan 0.000 0.434 315 P HA -0.162 nan 4.420 nan 0.000 0.215 315 P C 1.765 179.051 177.300 -0.023 0.000 1.157 315 P CA 1.135 64.217 63.100 -0.030 0.000 0.859 315 P CB 0.102 31.791 31.700 -0.020 0.000 0.786 316 I N -1.103 119.434 120.570 -0.056 0.000 2.546 316 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 316 I C 1.885 177.967 176.117 -0.057 0.000 1.163 316 I CA 1.138 62.408 61.300 -0.050 0.000 1.457 316 I CB -0.620 37.267 38.000 -0.189 0.000 1.092 316 I HN -0.168 nan 8.210 nan 0.000 0.434 317 I N 0.132 120.659 120.570 -0.072 0.000 2.394 317 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 317 I C 2.520 178.618 176.117 -0.031 0.000 1.136 317 I CA 1.008 62.277 61.300 -0.052 0.000 1.425 317 I CB -0.520 37.448 38.000 -0.054 0.000 1.079 317 I HN 0.244 nan 8.210 nan 0.000 0.425 318 A N 0.876 123.679 122.820 -0.028 0.000 1.902 318 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 318 A C 2.244 179.819 177.584 -0.014 0.000 1.181 318 A CA 1.537 53.562 52.037 -0.019 0.000 0.623 318 A CB -0.747 18.244 19.000 -0.016 0.000 0.818 318 A HN 0.390 nan 8.150 nan 0.000 0.443 319 L N -0.369 120.848 121.223 -0.011 0.000 2.046 319 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 319 L C 2.217 179.084 176.870 -0.006 0.000 1.077 319 L CA 1.837 56.674 54.840 -0.005 0.000 0.747 319 L CB -0.497 41.566 42.059 0.007 0.000 0.896 319 L HN 0.459 nan 8.230 nan 0.000 0.432 320 L N -0.676 120.542 121.223 -0.009 0.000 2.042 320 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 320 L C 2.505 179.371 176.870 -0.008 0.000 1.076 320 L CA 1.647 56.483 54.840 -0.007 0.000 0.749 320 L CB -0.530 41.520 42.059 -0.015 0.000 0.893 320 L HN 0.412 nan 8.230 nan 0.000 0.432 321 A N -0.098 122.716 122.820 -0.011 0.000 1.883 321 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 321 A C 2.294 179.873 177.584 -0.009 0.000 1.186 321 A CA 2.480 54.512 52.037 -0.010 0.000 0.624 321 A CB -1.329 17.664 19.000 -0.012 0.000 0.822 321 A HN 0.650 nan 8.150 nan 0.000 0.444 322 T N -2.956 111.592 114.554 -0.010 0.000 2.918 322 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 322 T C 1.463 176.157 174.700 -0.010 0.000 1.104 322 T CA 1.646 63.739 62.100 -0.012 0.000 1.114 322 T CB -0.271 68.586 68.868 -0.018 0.000 0.855 322 T HN 0.447 nan 8.240 nan 0.000 0.518 323 Q N 0.528 120.325 119.800 -0.006 0.000 2.356 323 Q HA 0.501 4.841 4.340 -0.000 0.000 0.205 323 Q C 0.898 176.897 176.000 -0.002 0.000 0.901 323 Q CA 0.300 56.100 55.803 -0.004 0.000 0.938 323 Q CB 0.355 29.093 28.738 -0.001 0.000 1.081 323 Q HN 0.752 nan 8.270 nan 0.000 0.517 324 A N 1.271 124.090 122.820 -0.003 0.000 2.327 324 A HA 0.313 4.633 4.320 -0.000 0.000 0.283 324 A C -0.030 177.553 177.584 -0.001 0.000 1.127 324 A CA -0.353 51.683 52.037 -0.002 0.000 0.810 324 A CB 0.426 19.425 19.000 -0.003 0.000 1.066 324 A HN 0.064 nan 8.150 nan 0.000 0.492 325 Q N 1.175 120.975 119.800 0.000 0.000 2.286 325 Q HA 0.472 4.812 4.340 -0.000 0.000 0.267 325 Q C 0.615 176.615 176.000 0.000 0.000 1.028 325 Q CA 1.655 57.459 55.803 0.001 0.000 0.901 325 Q CB 0.181 28.920 28.738 0.002 0.000 1.183 325 Q HN 2.057 nan 8.270 nan 0.000 0.392 326 G N 1.324 110.125 108.800 0.000 0.000 2.526 326 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.250 326 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.250 326 G C -1.296 173.603 174.900 -0.001 0.000 1.289 326 G CA -0.622 44.478 45.100 -0.000 0.000 0.947 326 G HN 0.762 nan 8.290 nan 0.000 0.517 327 V N 0.444 120.357 119.914 -0.002 0.000 2.532 327 V HA 0.763 4.883 4.120 -0.000 0.000 0.295 327 V C 0.756 176.848 176.094 -0.004 0.000 1.041 327 V CA 0.447 62.745 62.300 -0.003 0.000 0.926 327 V CB 1.535 33.357 31.823 -0.002 0.000 0.992 327 V HN 1.496 nan 8.190 nan 0.000 0.457 328 T N 3.669 118.220 114.554 -0.005 0.000 2.841 328 T HA 0.643 4.993 4.350 -0.000 0.000 0.285 328 T C -1.111 173.585 174.700 -0.007 0.000 0.991 328 T CA -0.405 61.691 62.100 -0.006 0.000 0.966 328 T CB 1.359 70.222 68.868 -0.008 0.000 0.962 328 T HN 0.362 nan 8.240 nan 0.000 0.438 329 V N 6.660 126.570 119.914 -0.007 0.000 2.435 329 V HA 0.558 4.678 4.120 -0.000 0.000 0.290 329 V C -0.075 176.014 176.094 -0.008 0.000 1.030 329 V CA -0.788 61.508 62.300 -0.007 0.000 0.881 329 V CB 1.453 33.273 31.823 -0.006 0.000 0.983 329 V HN 0.852 nan 8.190 nan 0.000 0.445 330 I N 6.301 126.866 120.570 -0.009 0.000 2.382 330 I HA 0.510 4.680 4.170 -0.000 0.000 0.286 330 I C -0.073 176.038 176.117 -0.010 0.000 1.002 330 I CA -0.389 60.904 61.300 -0.011 0.000 1.135 330 I CB 1.281 39.273 38.000 -0.013 0.000 1.288 330 I HN 0.719 nan 8.210 nan 0.000 0.448 331 K N 3.711 124.105 120.400 -0.009 0.000 2.466 331 K HA 0.573 4.893 4.320 -0.000 0.000 0.260 331 K C -0.702 175.892 176.600 -0.009 0.000 1.011 331 K CA -0.743 55.539 56.287 -0.009 0.000 0.871 331 K CB 1.707 34.202 32.500 -0.008 0.000 1.404 331 K HN 0.318 nan 8.250 nan 0.000 0.450 332 D N -1.109 119.285 120.400 -0.009 0.000 3.076 332 D HA -0.172 4.468 4.640 -0.000 0.000 0.218 332 D C -0.219 176.076 176.300 -0.009 0.000 1.156 332 D CA 1.520 55.514 54.000 -0.009 0.000 0.921 332 D CB -1.346 39.449 40.800 -0.009 0.000 1.113 332 D HN 0.695 nan 8.370 nan 0.000 0.418 333 A N 0.657 123.472 122.820 -0.009 0.000 2.827 333 A HA 0.208 4.528 4.320 -0.000 0.000 0.300 333 A C 1.707 179.286 177.584 -0.009 0.000 1.237 333 A CA -0.065 51.967 52.037 -0.009 0.000 0.964 333 A CB 0.191 19.184 19.000 -0.011 0.000 1.143 333 A HN 0.191 nan 8.150 nan 0.000 0.554 334 E N 0.450 120.645 120.200 -0.008 0.000 2.265 334 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 334 E C 0.543 177.140 176.600 -0.006 0.000 0.996 334 E CA 0.915 57.310 56.400 -0.008 0.000 0.832 334 E CB -0.200 29.495 29.700 -0.008 0.000 0.756 334 E HN 0.546 nan 8.360 nan 0.000 0.491 335 E N 1.038 121.236 120.200 -0.004 0.000 2.267 335 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 335 E C 2.238 178.838 176.600 0.000 0.000 0.998 335 E CA 0.428 56.828 56.400 0.000 0.000 0.830 335 E CB -0.233 29.469 29.700 0.003 0.000 0.751 335 E HN 0.437 nan 8.360 nan 0.000 0.491 336 L N 0.332 121.552 121.223 -0.004 0.000 2.191 336 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 336 L C 2.163 179.028 176.870 -0.008 0.000 1.103 336 L CA 1.092 55.928 54.840 -0.006 0.000 0.769 336 L CB -0.280 41.772 42.059 -0.011 0.000 0.908 336 L HN 0.044 nan 8.230 nan 0.000 0.438 337 K N -0.525 119.869 120.400 -0.011 0.000 2.365 337 K HA -0.040 4.280 4.320 -0.000 0.000 0.199 337 K C 1.519 178.112 176.600 -0.011 0.000 1.045 337 K CA 0.658 56.935 56.287 -0.016 0.000 0.962 337 K CB 0.111 32.601 32.500 -0.017 0.000 0.759 337 K HN 0.148 nan 8.250 nan 0.000 0.469 338 V N 1.252 121.164 119.914 -0.002 0.000 3.542 338 V HA 0.017 4.137 4.120 -0.000 0.000 0.296 338 V C 0.668 176.769 176.094 0.012 0.000 1.364 338 V CA 0.291 62.593 62.300 0.003 0.000 1.118 338 V CB -0.297 31.529 31.823 0.005 0.000 0.972 338 V HN 0.149 nan 8.190 nan 0.000 0.430 339 K N 0.623 121.032 120.400 0.015 0.000 2.731 339 K HA 0.216 4.536 4.320 -0.000 0.000 0.284 339 K C 1.426 178.052 176.600 0.043 0.000 1.027 339 K CA -0.206 56.100 56.287 0.033 0.000 1.040 339 K CB 0.243 32.764 32.500 0.035 0.000 1.334 339 K HN -0.017 nan 8.250 nan 0.000 0.498 340 E N 0.422 120.665 120.200 0.072 0.000 2.219 340 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 340 E C 0.454 177.095 176.600 0.068 0.000 0.998 340 E CA 1.456 57.908 56.400 0.088 0.000 0.818 340 E CB -0.050 29.740 29.700 0.150 0.000 0.741 340 E HN 0.697 nan 8.360 nan 0.000 0.477 341 T N -3.317 111.264 114.554 0.044 0.000 2.787 341 T HA 0.190 4.540 4.350 -0.000 0.000 0.297 341 T C -1.013 173.674 174.700 -0.021 0.000 1.221 341 T CA -1.095 61.008 62.100 0.005 0.000 1.006 341 T CB 1.490 70.364 68.868 0.010 0.000 1.328 341 T HN -0.168 nan 8.240 nan 0.000 0.509 342 D N 0.276 120.639 120.400 -0.061 0.000 2.383 342 D HA 0.152 4.792 4.640 -0.000 0.000 0.245 342 D C 1.082 177.353 176.300 -0.049 0.000 1.263 342 D CA -0.262 53.706 54.000 -0.054 0.000 0.936 342 D CB 0.477 41.231 40.800 -0.075 0.000 1.053 342 D HN 0.485 nan 8.370 nan 0.000 0.507 343 R N 2.864 123.348 120.500 -0.027 0.000 2.293 343 R HA -0.029 4.311 4.340 -0.000 0.000 0.219 343 R C 1.773 178.058 176.300 -0.024 0.000 1.091 343 R CA 0.573 56.660 56.100 -0.021 0.000 1.004 343 R CB 0.311 30.603 30.300 -0.014 0.000 0.865 343 R HN 0.554 nan 8.270 nan 0.000 0.469 344 I N -0.111 120.443 120.570 -0.027 0.000 2.235 344 I HA -0.222 3.948 4.170 -0.000 0.000 0.241 344 I C 2.461 178.560 176.117 -0.030 0.000 1.085 344 I CA 0.978 62.263 61.300 -0.025 0.000 1.378 344 I CB -0.101 37.885 38.000 -0.023 0.000 1.076 344 I HN 0.060 nan 8.210 nan 0.000 0.415 345 Q N 0.746 120.520 119.800 -0.044 0.000 2.079 345 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 345 Q C 2.078 178.043 176.000 -0.058 0.000 0.974 345 Q CA 1.817 57.587 55.803 -0.054 0.000 0.840 345 Q CB -0.266 28.425 28.738 -0.078 0.000 0.898 345 Q HN 0.330 nan 8.270 nan 0.000 0.430 346 V N -0.727 119.144 119.914 -0.071 0.000 2.358 346 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 346 V C 2.219 178.317 176.094 0.007 0.000 1.047 346 V CA 1.435 63.707 62.300 -0.046 0.000 1.035 346 V CB -0.532 31.263 31.823 -0.047 0.000 0.658 346 V HN 0.187 nan 8.190 nan 0.000 0.452 347 V N 0.382 120.295 119.914 -0.002 0.000 2.358 347 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 347 V C 2.724 178.820 176.094 0.002 0.000 1.047 347 V CA 1.960 64.263 62.300 0.004 0.000 1.035 347 V CB -1.053 30.767 31.823 -0.006 0.000 0.658 347 V HN 0.545 nan 8.190 nan 0.000 0.452 348 A N 0.024 122.841 122.820 -0.005 0.000 1.877 348 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 348 A C 2.009 179.596 177.584 0.005 0.000 1.186 348 A CA 2.101 54.136 52.037 -0.004 0.000 0.620 348 A CB -0.659 18.336 19.000 -0.008 0.000 0.822 348 A HN 0.540 nan 8.150 nan 0.000 0.443 349 D N 0.057 120.462 120.400 0.009 0.000 2.117 349 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 349 D C 2.273 178.598 176.300 0.041 0.000 0.987 349 D CA 1.550 55.566 54.000 0.026 0.000 0.829 349 D CB -0.539 40.279 40.800 0.030 0.000 0.961 349 D HN 0.416 nan 8.370 nan 0.000 0.460 350 A N 0.956 123.805 122.820 0.048 0.000 1.858 350 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 350 A C 2.430 180.027 177.584 0.021 0.000 1.190 350 A CA 1.063 53.130 52.037 0.050 0.000 0.617 350 A CB -0.884 18.150 19.000 0.056 0.000 0.827 350 A HN 0.197 nan 8.150 nan 0.000 0.443 351 L N -0.405 120.822 121.223 0.006 0.000 2.093 351 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 351 L C 2.326 179.178 176.870 -0.030 0.000 1.085 351 L CA 1.111 55.941 54.840 -0.016 0.000 0.755 351 L CB -0.724 41.326 42.059 -0.015 0.000 0.904 351 L HN 0.392 nan 8.230 nan 0.000 0.435 352 N N 0.111 118.806 118.700 -0.008 0.000 2.120 352 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 352 N C 2.054 177.571 175.510 0.011 0.000 1.024 352 N CA 1.765 54.813 53.050 -0.002 0.000 0.852 352 N CB -0.252 38.243 38.487 0.014 0.000 1.003 352 N HN 0.345 nan 8.380 nan 0.000 0.424 353 S N -0.563 115.155 115.700 0.030 0.000 2.537 353 S HA 0.000 4.470 4.470 -0.000 0.000 0.240 353 S C 1.747 176.386 174.600 0.065 0.000 0.981 353 S CA 0.666 58.910 58.200 0.073 0.000 0.948 353 S CB -0.009 63.233 63.200 0.071 0.000 0.759 353 S HN 0.230 nan 8.310 nan 0.000 0.531 354 M N -0.265 119.283 119.600 -0.088 0.000 3.101 354 M HA 0.339 4.819 4.480 -0.000 0.000 0.236 354 M C 2.360 178.242 176.300 -0.696 0.000 1.538 354 M CA 1.064 56.186 55.300 -0.297 0.000 1.309 354 M CB -0.111 32.405 32.600 -0.141 0.000 1.141 354 M HN 0.432 nan 8.290 nan 0.000 0.579 355 G N -0.227 108.372 108.800 -0.335 0.000 2.768 355 G HA2 0.559 4.519 3.960 -0.000 0.000 0.201 355 G HA3 0.559 4.519 3.960 -0.000 0.000 0.201 355 G C 0.351 175.177 174.900 -0.124 0.000 1.089 355 G CA 0.572 45.516 45.100 -0.260 0.000 0.787 355 G HN 0.718 nan 8.290 nan 0.000 0.547 356 A N -0.255 122.520 122.820 -0.074 0.000 6.581 356 A HA 0.206 4.526 4.320 -0.000 0.000 0.228 356 A C 0.413 177.991 177.584 -0.011 0.000 2.346 356 A CA 0.723 52.749 52.037 -0.018 0.000 0.681 356 A CB -1.397 17.614 19.000 0.018 0.000 0.930 356 A HN 1.368 nan 8.150 nan 0.000 0.360 357 D N -1.913 118.488 120.400 0.002 0.000 2.760 357 D HA -0.130 4.510 4.640 -0.000 0.000 0.244 357 D C -0.500 175.799 176.300 -0.002 0.000 1.096 357 D CA 1.717 55.718 54.000 0.002 0.000 0.716 357 D CB -1.312 39.489 40.800 0.002 0.000 1.075 357 D HN 1.147 nan 8.370 nan 0.000 0.434 358 I N 1.021 121.590 120.570 -0.002 0.000 2.468 358 I HA 0.218 4.388 4.170 -0.000 0.000 0.285 358 I C 0.321 176.436 176.117 -0.003 0.000 1.039 358 I CA -0.602 60.696 61.300 -0.004 0.000 1.074 358 I CB 1.993 39.989 38.000 -0.006 0.000 1.228 358 I HN 0.032 nan 8.210 nan 0.000 0.436 359 T N 4.185 118.737 114.554 -0.003 0.000 2.801 359 T HA 0.472 4.822 4.350 -0.000 0.000 0.306 359 T C -2.462 172.235 174.700 -0.006 0.000 1.020 359 T CA -2.137 59.961 62.100 -0.003 0.000 0.948 359 T CB 1.073 69.939 68.868 -0.002 0.000 0.962 359 T HN 0.240 nan 8.240 nan 0.000 0.465 360 P HA 0.257 nan 4.420 nan 0.000 0.271 360 P C 0.042 177.336 177.300 -0.010 0.000 1.216 360 P CA -0.017 63.077 63.100 -0.011 0.000 0.776 360 P CB 1.069 32.761 31.700 -0.014 0.000 0.881 361 T N -1.931 112.616 114.554 -0.011 0.000 2.858 361 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 361 T C 1.225 175.918 174.700 -0.012 0.000 1.052 361 T CA -0.258 61.836 62.100 -0.010 0.000 1.009 361 T CB 0.927 69.789 68.868 -0.009 0.000 1.241 361 T HN 0.226 nan 8.240 nan 0.000 0.542 362 A N 0.423 123.236 122.820 -0.011 0.000 2.067 362 A HA 0.104 4.424 4.320 -0.000 0.000 0.219 362 A C 1.386 178.963 177.584 -0.011 0.000 1.158 362 A CA 1.591 53.621 52.037 -0.011 0.000 0.661 362 A CB -0.740 18.255 19.000 -0.010 0.000 0.801 362 A HN 0.930 nan 8.150 nan 0.000 0.452 363 D N -3.042 117.352 120.400 -0.011 0.000 2.673 363 D HA 0.429 5.069 4.640 -0.000 0.000 0.278 363 D C 0.504 176.798 176.300 -0.011 0.000 1.393 363 D CA 0.703 54.696 54.000 -0.010 0.000 0.805 363 D CB -0.126 40.668 40.800 -0.010 0.000 1.110 363 D HN 0.480 nan 8.370 nan 0.000 0.476 364 G N 0.228 109.021 108.800 -0.012 0.000 2.534 364 G HA2 0.404 4.363 3.960 -0.000 0.000 0.142 364 G HA3 0.404 4.363 3.960 -0.000 0.000 0.142 364 G C -1.383 173.510 174.900 -0.012 0.000 1.178 364 G CA -0.113 44.979 45.100 -0.012 0.000 1.037 364 G HN 0.457 nan 8.290 nan 0.000 0.474 365 M N -1.049 118.545 119.600 -0.011 0.000 2.643 365 M HA 0.752 5.232 4.480 -0.000 0.000 0.276 365 M C -1.966 174.328 176.300 -0.009 0.000 1.200 365 M CA -0.893 54.401 55.300 -0.010 0.000 0.863 365 M CB 2.042 34.635 32.600 -0.011 0.000 1.711 365 M HN 0.416 nan 8.290 nan 0.000 0.492 366 I N 2.610 123.176 120.570 -0.008 0.000 2.389 366 I HA 0.546 4.716 4.170 -0.000 0.000 0.288 366 I C -1.042 175.071 176.117 -0.006 0.000 0.999 366 I CA -0.658 60.638 61.300 -0.006 0.000 1.129 366 I CB 1.803 39.800 38.000 -0.005 0.000 1.288 366 I HN 0.584 nan 8.210 nan 0.000 0.444 367 I N 6.392 126.958 120.570 -0.007 0.000 2.404 367 I HA 0.421 4.591 4.170 -0.000 0.000 0.293 367 I C -0.365 175.749 176.117 -0.005 0.000 0.992 367 I CA -0.769 60.527 61.300 -0.007 0.000 1.149 367 I CB 1.594 39.589 38.000 -0.009 0.000 1.315 367 I HN 0.483 nan 8.210 nan 0.000 0.446 368 K N 3.739 124.137 120.400 -0.004 0.000 2.203 368 K HA 0.661 4.981 4.320 -0.000 0.000 0.251 368 K C 0.418 177.017 176.600 -0.002 0.000 0.944 368 K CA -0.703 55.583 56.287 -0.002 0.000 0.829 368 K CB 1.843 34.343 32.500 -0.000 0.000 1.125 368 K HN 0.793 nan 8.250 nan 0.000 0.430 369 G N 1.891 110.690 108.800 -0.001 0.000 2.523 369 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.734 369 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.734 369 G C -0.584 174.315 174.900 -0.001 0.000 1.344 369 G CA -0.038 45.062 45.100 -0.000 0.000 0.902 369 G HN 0.644 nan 8.290 nan 0.000 0.527 370 K N 0.226 120.626 120.400 -0.000 0.000 2.264 370 K HA 0.498 4.818 4.320 -0.000 0.000 0.277 370 K C 0.506 177.105 176.600 -0.001 0.000 1.067 370 K CA 0.106 56.392 56.287 -0.001 0.000 0.900 370 K CB 0.290 32.790 32.500 0.001 0.000 1.124 370 K HN 0.777 nan 8.250 nan 0.000 0.469 371 S N 2.668 118.364 115.700 -0.007 0.000 2.617 371 S HA 0.409 4.879 4.470 -0.000 0.000 0.283 371 S C 1.019 175.613 174.600 -0.012 0.000 1.189 371 S CA -0.593 57.602 58.200 -0.009 0.000 1.036 371 S CB 1.826 65.013 63.200 -0.022 0.000 1.014 371 S HN 0.630 nan 8.310 nan 0.000 0.522 372 A N 1.633 124.452 122.820 -0.003 0.000 1.929 372 A HA 0.391 4.711 4.320 -0.000 0.000 0.216 372 A C 0.504 178.077 177.584 -0.017 0.000 1.176 372 A CA 0.457 52.496 52.037 0.004 0.000 0.628 372 A CB -1.080 17.939 19.000 0.030 0.000 0.816 372 A HN 1.117 nan 8.150 nan 0.000 0.444 373 L N -1.116 120.065 121.223 -0.070 0.000 1.152 373 L HA -0.101 4.238 4.340 -0.000 0.000 0.395 373 L C -0.314 176.499 176.870 -0.096 0.000 1.003 373 L CA 1.073 55.815 54.840 -0.164 0.000 1.222 373 L CB -1.622 40.381 42.059 -0.094 0.000 0.742 373 L HN 0.910 nan 8.230 nan 0.000 0.402 374 H N 0.637 119.716 119.070 0.016 0.000 2.906 374 H HA 0.857 5.413 4.556 -0.000 0.000 0.337 374 H C 0.488 175.826 175.328 0.017 0.000 1.257 374 H CA -0.775 55.282 56.048 0.016 0.000 1.192 374 H CB 0.462 30.232 29.762 0.014 0.000 1.912 374 H HN 0.743 nan 8.280 nan 0.000 0.573 375 G N -0.685 108.266 108.800 0.252 0.000 2.630 375 G HA2 0.457 4.417 3.960 -0.000 0.000 0.236 375 G HA3 0.457 4.417 3.960 -0.000 0.000 0.236 375 G C -0.466 174.553 174.900 0.198 0.000 1.248 375 G CA 0.368 45.565 45.100 0.161 0.000 0.844 375 G HN 1.095 nan 8.290 nan 0.000 0.588 376 A N 0.453 123.339 122.820 0.109 0.000 2.522 376 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 376 A C -0.781 176.835 177.584 0.054 0.000 1.039 376 A CA -0.731 51.362 52.037 0.093 0.000 0.643 376 A CB 1.166 20.228 19.000 0.103 0.000 1.310 376 A HN 1.073 nan 8.150 nan 0.000 0.436 377 R N 0.103 120.629 120.500 0.044 0.000 2.338 377 R HA 0.702 5.042 4.340 -0.000 0.000 0.317 377 R C -1.454 174.860 176.300 0.022 0.000 0.968 377 R CA -0.191 55.923 56.100 0.024 0.000 0.849 377 R CB 1.350 31.659 30.300 0.015 0.000 1.128 377 R HN 1.650 nan 8.270 nan 0.000 0.448 378 V N 4.349 124.267 119.914 0.006 0.000 2.876 378 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 378 V C -1.422 174.635 176.094 -0.060 0.000 1.085 378 V CA -0.842 61.461 62.300 0.004 0.000 0.945 378 V CB 2.192 34.029 31.823 0.024 0.000 1.017 378 V HN 0.998 nan 8.190 nan 0.000 0.428 379 N N 2.437 121.061 118.700 -0.126 0.000 2.354 379 N HA 0.324 5.064 4.740 -0.000 0.000 0.287 379 N C 0.964 176.314 175.510 -0.267 0.000 1.016 379 N CA 0.154 52.988 53.050 -0.359 0.000 0.871 379 N CB 2.051 40.045 38.487 -0.822 0.000 1.299 379 N HN 0.876 nan 8.380 nan 0.000 0.482 380 T N 1.332 115.798 114.554 -0.146 0.000 3.035 380 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 380 T C 0.706 175.502 174.700 0.160 0.000 1.109 380 T CA 0.540 62.655 62.100 0.025 0.000 1.119 380 T CB -0.637 68.239 68.868 0.013 0.000 0.900 380 T HN 0.658 nan 8.240 nan 0.000 0.503 381 F N 1.436 121.398 119.950 0.019 0.000 3.093 381 F HA -0.170 4.357 4.527 -0.000 0.000 0.283 381 F C 1.447 177.265 175.800 0.030 0.000 0.848 381 F CA 0.966 58.979 58.000 0.022 0.000 1.059 381 F CB -2.046 36.965 39.000 0.018 0.000 1.191 381 F HN 0.626 nan 8.300 nan 0.000 0.514 382 G N -0.017 108.862 108.800 0.132 0.000 2.132 382 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.228 382 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.228 382 G C -0.440 174.544 174.900 0.140 0.000 1.000 382 G CA 0.001 45.168 45.100 0.112 0.000 0.693 382 G HN 0.575 nan 8.290 nan 0.000 0.515 383 D N 0.319 120.812 120.400 0.155 0.000 2.461 383 D HA 0.349 4.989 4.640 -0.000 0.000 0.240 383 D C 1.846 178.236 176.300 0.149 0.000 1.094 383 D CA -0.338 53.774 54.000 0.188 0.000 0.868 383 D CB 0.194 41.071 40.800 0.127 0.000 1.062 383 D HN 0.354 nan 8.370 nan 0.000 0.530 384 H N 4.318 123.384 119.070 -0.008 0.000 2.362 384 H HA -0.179 4.377 4.556 -0.000 0.000 0.294 384 H C 1.045 176.288 175.328 -0.141 0.000 1.113 384 H CA 1.255 57.259 56.048 -0.074 0.000 1.253 384 H CB -0.224 29.513 29.762 -0.042 0.000 1.363 384 H HN 0.387 nan 8.280 nan 0.000 0.494 385 R N 0.009 120.179 120.500 -0.550 0.000 2.148 385 R HA 0.022 4.362 4.340 -0.000 0.000 0.223 385 R C 2.467 178.667 176.300 -0.167 0.000 1.088 385 R CA 0.776 56.691 56.100 -0.308 0.000 0.985 385 R CB 0.105 30.263 30.300 -0.236 0.000 0.880 385 R HN 0.284 nan 8.270 nan 0.000 0.451 386 I N 0.290 120.791 120.570 -0.115 0.000 2.252 386 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 386 I C 2.416 178.477 176.117 -0.094 0.000 1.102 386 I CA 1.491 62.764 61.300 -0.046 0.000 1.385 386 I CB -1.498 36.523 38.000 0.035 0.000 1.064 386 I HN 0.220 nan 8.210 nan 0.000 0.414 387 G N 0.208 108.923 108.800 -0.143 0.000 2.402 387 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 387 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 387 G C 1.762 176.440 174.900 -0.371 0.000 1.162 387 G CA 0.346 45.340 45.100 -0.177 0.000 0.777 387 G HN 0.250 nan 8.290 nan 0.000 0.539 388 M N -0.137 119.031 119.600 -0.720 0.000 2.254 388 M HA 0.155 4.635 4.480 -0.000 0.000 0.265 388 M C 2.526 178.417 176.300 -0.682 0.000 1.066 388 M CA 0.957 55.480 55.300 -1.295 0.000 1.123 388 M CB -0.200 30.873 32.600 -2.545 0.000 1.388 388 M HN 0.326 nan 8.290 nan 0.000 0.425 389 M N -0.013 119.398 119.600 -0.314 0.000 2.086 389 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 389 M C 1.726 177.998 176.300 -0.046 0.000 1.067 389 M CA 1.831 57.107 55.300 -0.041 0.000 1.116 389 M CB -0.255 32.358 32.600 0.022 0.000 1.348 389 M HN 0.132 nan 8.290 nan 0.000 0.407 390 T N 1.101 115.619 114.554 -0.061 0.000 2.788 390 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 390 T C 1.838 176.551 174.700 0.022 0.000 1.044 390 T CA 1.418 63.512 62.100 -0.011 0.000 1.139 390 T CB -0.508 68.359 68.868 -0.001 0.000 0.867 390 T HN 0.609 nan 8.240 nan 0.000 0.454 391 A N 1.156 123.988 122.820 0.021 0.000 1.902 391 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 391 A C 2.146 179.803 177.584 0.122 0.000 1.181 391 A CA 1.212 53.334 52.037 0.142 0.000 0.623 391 A CB -0.634 18.539 19.000 0.289 0.000 0.818 391 A HN 0.384 nan 8.150 nan 0.000 0.443 392 I N 0.146 120.759 120.570 0.073 0.000 2.252 392 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 392 I C 2.873 179.027 176.117 0.061 0.000 1.102 392 I CA 1.120 62.466 61.300 0.077 0.000 1.385 392 I CB -0.788 37.251 38.000 0.065 0.000 1.064 392 I HN 0.300 nan 8.210 nan 0.000 0.414 393 A N 0.434 123.278 122.820 0.040 0.000 1.908 393 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 393 A C 2.543 180.145 177.584 0.029 0.000 1.181 393 A CA 2.007 54.058 52.037 0.025 0.000 0.627 393 A CB -1.198 17.808 19.000 0.009 0.000 0.818 393 A HN 0.401 nan 8.150 nan 0.000 0.445 394 A N -0.644 122.203 122.820 0.044 0.000 1.986 394 A HA -0.118 4.202 4.320 -0.000 0.000 0.220 394 A C 1.919 179.534 177.584 0.052 0.000 1.171 394 A CA 1.833 53.901 52.037 0.051 0.000 0.640 394 A CB -0.575 18.468 19.000 0.071 0.000 0.811 394 A HN 0.418 nan 8.150 nan 0.000 0.451 395 L N -0.752 120.508 121.223 0.061 0.000 2.187 395 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 395 L C 2.148 179.042 176.870 0.038 0.000 1.100 395 L CA 1.349 56.224 54.840 0.057 0.000 0.765 395 L CB -0.613 41.488 42.059 0.070 0.000 0.904 395 L HN 0.403 nan 8.230 nan 0.000 0.437 396 L N -1.650 119.591 121.223 0.030 0.000 2.567 396 L HA 0.079 4.418 4.340 -0.000 0.000 0.225 396 L C 0.403 177.285 176.870 0.019 0.000 1.119 396 L CA -0.372 54.479 54.840 0.018 0.000 0.871 396 L CB 0.093 42.157 42.059 0.009 0.000 1.036 396 L HN -0.142 nan 8.230 nan 0.000 0.459 397 V N 1.840 121.769 119.914 0.026 0.000 2.421 397 V HA 0.196 4.316 4.120 -0.000 0.000 0.271 397 V C 0.714 176.833 176.094 0.040 0.000 1.031 397 V CA -0.282 62.039 62.300 0.036 0.000 1.032 397 V CB 0.502 32.352 31.823 0.044 0.000 1.009 397 V HN 0.237 nan 8.190 nan 0.000 0.477 398 A N 4.928 127.773 122.820 0.042 0.000 2.276 398 A HA 0.514 4.834 4.320 -0.000 0.000 0.300 398 A C 0.420 178.030 177.584 0.043 0.000 1.235 398 A CA -0.308 51.752 52.037 0.038 0.000 0.867 398 A CB 0.065 19.084 19.000 0.032 0.000 1.137 398 A HN 1.028 nan 8.150 nan 0.000 0.527 399 D N 1.234 121.656 120.400 0.037 0.000 4.478 399 D HA 0.071 4.711 4.640 -0.000 0.000 0.238 399 D C -0.001 176.323 176.300 0.041 0.000 1.056 399 D CA 2.157 56.177 54.000 0.034 0.000 1.245 399 D CB -0.818 39.999 40.800 0.028 0.000 0.794 399 D HN 2.085 nan 8.370 nan 0.000 0.394 400 G N 2.885 111.708 108.800 0.038 0.000 2.329 400 G HA2 0.297 4.257 3.960 -0.000 0.000 0.308 400 G HA3 0.297 4.257 3.960 -0.000 0.000 0.308 400 G C -1.343 173.582 174.900 0.042 0.000 1.587 400 G CA -0.565 44.562 45.100 0.044 0.000 0.978 400 G HN 0.337 nan 8.290 nan 0.000 0.685 401 E N -1.040 119.183 120.200 0.039 0.000 2.207 401 E HA 0.619 4.969 4.350 -0.000 0.000 0.270 401 E C -0.813 175.811 176.600 0.040 0.000 0.927 401 E CA -1.047 55.373 56.400 0.033 0.000 0.799 401 E CB 3.130 32.842 29.700 0.020 0.000 1.172 401 E HN 0.691 nan 8.360 nan 0.000 0.404 402 V N 2.172 122.107 119.914 0.035 0.000 2.531 402 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 402 V C -1.118 174.991 176.094 0.024 0.000 1.034 402 V CA -0.356 61.966 62.300 0.037 0.000 0.865 402 V CB 1.632 33.480 31.823 0.042 0.000 0.995 402 V HN 0.743 nan 8.190 nan 0.000 0.424 403 E N 5.331 125.541 120.200 0.018 0.000 2.183 403 E HA 0.535 4.885 4.350 -0.000 0.000 0.271 403 E C -1.699 174.902 176.600 0.002 0.000 0.919 403 E CA -0.802 55.600 56.400 0.004 0.000 0.781 403 E CB 2.110 31.808 29.700 -0.004 0.000 1.140 403 E HN 0.808 nan 8.360 nan 0.000 0.402 404 L N 4.380 125.602 121.223 -0.002 0.000 2.325 404 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 404 L C -1.231 175.625 176.870 -0.024 0.000 1.004 404 L CA -0.704 54.135 54.840 -0.002 0.000 0.823 404 L CB 1.255 43.338 42.059 0.040 0.000 1.236 404 L HN 0.591 nan 8.230 nan 0.000 0.415 405 D N 4.670 125.038 120.400 -0.055 0.000 2.163 405 D HA 0.244 4.884 4.640 -0.000 0.000 0.248 405 D C 0.104 176.357 176.300 -0.078 0.000 1.035 405 D CA -0.303 53.653 54.000 -0.074 0.000 0.872 405 D CB 1.862 42.595 40.800 -0.112 0.000 1.183 405 D HN 0.503 nan 8.370 nan 0.000 0.445 406 R N 1.101 121.569 120.500 -0.054 0.000 3.423 406 R HA -0.269 4.071 4.340 -0.000 0.000 0.271 406 R C 0.514 176.813 176.300 -0.002 0.000 1.093 406 R CA 0.528 56.607 56.100 -0.035 0.000 0.730 406 R CB -1.515 28.745 30.300 -0.067 0.000 1.190 406 R HN 0.561 nan 8.270 nan 0.000 0.437 407 A N 0.538 123.372 122.820 0.023 0.000 2.015 407 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 407 A C 1.597 179.240 177.584 0.099 0.000 1.163 407 A CA 1.317 53.402 52.037 0.081 0.000 0.646 407 A CB -0.165 18.910 19.000 0.125 0.000 0.806 407 A HN 0.582 nan 8.150 nan 0.000 0.448 408 E N 0.268 120.512 120.200 0.072 0.000 2.396 408 E HA -0.160 4.190 4.350 -0.000 0.000 0.200 408 E C 2.020 178.655 176.600 0.059 0.000 1.023 408 E CA 0.924 57.368 56.400 0.073 0.000 0.857 408 E CB -0.569 29.162 29.700 0.050 0.000 0.775 408 E HN 0.653 nan 8.360 nan 0.000 0.525 409 A N 1.143 123.993 122.820 0.050 0.000 2.019 409 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 409 A C 2.231 179.852 177.584 0.060 0.000 1.164 409 A CA 0.716 52.784 52.037 0.052 0.000 0.644 409 A CB -0.577 18.461 19.000 0.063 0.000 0.805 409 A HN 0.209 nan 8.150 nan 0.000 0.449 410 I N 0.117 120.710 120.570 0.038 0.000 2.423 410 I HA -0.288 3.882 4.170 -0.000 0.000 0.254 410 I C 1.664 177.806 176.117 0.042 0.000 1.151 410 I CA 1.325 62.618 61.300 -0.010 0.000 1.421 410 I CB -0.590 37.319 38.000 -0.153 0.000 1.079 410 I HN 0.442 nan 8.210 nan 0.000 0.431 411 N N -0.286 118.448 118.700 0.057 0.000 2.573 411 N HA -0.143 4.597 4.740 -0.000 0.000 0.187 411 N C 1.711 177.238 175.510 0.029 0.000 1.107 411 N CA 0.766 53.856 53.050 0.067 0.000 0.918 411 N CB -0.009 38.517 38.487 0.066 0.000 0.966 411 N HN 0.258 nan 8.380 nan 0.000 0.448 412 T N -0.907 113.632 114.554 -0.026 0.000 2.995 412 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 412 T C 1.664 176.289 174.700 -0.125 0.000 1.091 412 T CA 1.426 63.460 62.100 -0.111 0.000 1.128 412 T CB 0.064 68.790 68.868 -0.237 0.000 0.891 412 T HN 0.335 nan 8.240 nan 0.000 0.492 413 S N -1.802 113.870 115.700 -0.047 0.000 2.661 413 S HA 0.258 4.728 4.470 -0.000 0.000 0.275 413 S C 0.054 174.751 174.600 0.161 0.000 1.075 413 S CA -0.702 57.519 58.200 0.036 0.000 1.251 413 S CB 0.020 63.274 63.200 0.091 0.000 1.167 413 S HN 0.543 nan 8.310 nan 0.000 0.648 414 Y N 1.863 122.195 120.300 0.054 0.000 2.529 414 Y HA 0.356 4.906 4.550 -0.000 0.000 0.319 414 Y C -2.662 173.298 175.900 0.099 0.000 1.063 414 Y CA -2.033 56.124 58.100 0.095 0.000 1.178 414 Y CB 1.261 39.779 38.460 0.096 0.000 1.123 414 Y HN 0.090 nan 8.280 nan 0.000 0.625 415 P HA -0.220 nan 4.420 nan 0.000 0.216 415 P C 1.135 178.574 177.300 0.231 0.000 1.154 415 P CA 2.060 65.289 63.100 0.215 0.000 0.865 415 P CB 0.194 31.989 31.700 0.158 0.000 0.789 416 S N -2.709 113.182 115.700 0.318 0.000 2.622 416 S HA 0.100 4.570 4.470 -0.000 0.000 0.236 416 S C 1.333 175.995 174.600 0.104 0.000 0.956 416 S CA -0.623 57.721 58.200 0.238 0.000 0.971 416 S CB -1.504 61.848 63.200 0.252 0.000 0.782 416 S HN -0.029 nan 8.310 nan 0.000 0.468 417 F N 2.454 122.187 119.950 -0.363 0.000 2.065 417 F HA -0.072 4.455 4.527 -0.000 0.000 0.298 417 F C 1.380 176.920 175.800 -0.434 0.000 1.112 417 F CA 1.346 58.791 58.000 -0.926 0.000 1.212 417 F CB -0.509 37.778 39.000 -1.189 0.000 0.975 417 F HN 0.300 nan 8.300 nan 0.000 0.476 418 F N 0.703 120.538 119.950 -0.191 0.000 2.325 418 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 418 F C 2.256 177.957 175.800 -0.164 0.000 1.090 418 F CA 1.279 59.150 58.000 -0.215 0.000 1.392 418 F CB -1.000 37.978 39.000 -0.036 0.000 1.053 418 F HN -0.028 nan 8.300 nan 0.000 0.521 419 D N 0.166 120.603 120.400 0.062 0.000 2.117 419 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 419 D C 1.827 178.096 176.300 -0.052 0.000 0.987 419 D CA 1.344 55.365 54.000 0.035 0.000 0.829 419 D CB -0.348 40.491 40.800 0.065 0.000 0.961 419 D HN 0.192 nan 8.370 nan 0.000 0.460 420 D N -0.061 120.267 120.400 -0.120 0.000 2.123 420 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 420 D C 2.151 178.191 176.300 -0.433 0.000 0.976 420 D CA 0.191 54.038 54.000 -0.255 0.000 0.831 420 D CB -0.297 40.387 40.800 -0.194 0.000 0.974 420 D HN 0.119 nan 8.370 nan 0.000 0.469 421 L N 1.438 122.446 121.223 -0.357 0.000 2.042 421 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 421 L C 1.944 178.710 176.870 -0.174 0.000 1.076 421 L CA 1.784 56.485 54.840 -0.231 0.000 0.749 421 L CB -0.439 41.532 42.059 -0.146 0.000 0.893 421 L HN -0.149 nan 8.230 nan 0.000 0.432 422 E N -0.031 120.109 120.200 -0.101 0.000 2.058 422 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 422 E C 2.365 178.887 176.600 -0.131 0.000 0.997 422 E CA 1.660 58.036 56.400 -0.040 0.000 0.801 422 E CB -0.446 29.273 29.700 0.032 0.000 0.746 422 E HN 0.754 nan 8.360 nan 0.000 0.450 423 S N 0.232 115.816 115.700 -0.193 0.000 2.469 423 S HA -0.073 4.397 4.470 -0.000 0.000 0.238 423 S C 2.043 176.216 174.600 -0.711 0.000 0.998 423 S CA 0.630 58.619 58.200 -0.351 0.000 0.957 423 S CB -0.360 62.741 63.200 -0.165 0.000 0.764 423 S HN 0.204 nan 8.310 nan 0.000 0.514 424 L N 0.465 121.384 121.223 -0.506 0.000 2.492 424 L HA 0.305 4.645 4.340 -0.000 0.000 0.223 424 L C 1.536 178.206 176.870 -0.334 0.000 1.132 424 L CA 0.408 55.004 54.840 -0.406 0.000 0.850 424 L CB -0.400 41.450 42.059 -0.348 0.000 0.966 424 L HN 0.324 nan 8.230 nan 0.000 0.454 425 I N -0.057 120.303 120.570 -0.351 0.000 3.555 425 I HA -0.143 4.027 4.170 -0.000 0.000 0.304 425 I C 1.352 177.456 176.117 -0.020 0.000 1.246 425 I CA 0.601 61.833 61.300 -0.113 0.000 1.220 425 I CB -0.597 37.414 38.000 0.018 0.000 1.001 425 I HN 0.520 nan 8.210 nan 0.000 0.513 426 H N -2.121 116.958 119.070 0.015 0.000 1.791 426 H HA 0.431 4.987 4.556 -0.000 0.000 0.126 426 H C 0.591 175.944 175.328 0.042 0.000 1.090 426 H CA 0.021 56.086 56.048 0.027 0.000 0.723 426 H CB 0.139 29.901 29.762 0.001 0.000 0.491 426 H HN 0.075 nan 8.280 nan 0.000 0.263 427 G N 0.000 108.725 108.800 -0.125 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.108 45.100 0.013 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925