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 2bwm_1_A DATA FIRST_RESID 1 DATA SEQUENCE SVVVISQALP VPTRIPGVAD LVGFGNGGVY IIRNSLLIQV VKVINNFGYD DATA SEQUENCE AGGWRVEKHV RLLADTTGDN QSDVVGFGEN GVWISTNNGN NTFVDPPKMV DATA SEQUENCE LANFAYAAGG WRVEKHIRFM ADLRKTGRAD IVGFGDGGIY ISRNNGGGQF DATA SEQUENCE APAQLALNNF GYAQGWRLDR HLRFLADVTG DGLLDVVGFG ENQVYIARNS DATA SEQUENCE GNGTFQPAQA VVNNFCIGAG GWTISAHPRV VADLTGDRKA DILGFGVAGV DATA SEQUENCE YTSLNNGNGT FGAVNLVLKD FGVNSGWRVE KHVRCVSSLT NKKVGDIIGF DATA SEQUENCE GDAGVYVALN NGNGTFGPVK RVIDNFGYNQ GWRVDKHPRF VVDLTGDGCA DATA SEQUENCE DIVGFGENSV WACMNKGDGT FGPIMKLIDD MTVSKGWTLQ KTVRYAANLY DATA SEQUENCE L 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.617 174.600 0.029 0.000 1.055 1 S CA 0.000 58.219 58.200 0.031 0.000 1.107 1 S CB 0.000 63.225 63.200 0.042 0.000 0.593 2 V N -0.935 118.996 119.914 0.029 0.000 3.211 2 V HA 0.885 5.005 4.120 0.001 0.000 0.319 2 V C 0.078 176.189 176.094 0.029 0.000 1.096 2 V CA -0.998 61.317 62.300 0.025 0.000 1.029 2 V CB 1.225 33.062 31.823 0.023 0.000 1.137 2 V HN 0.960 nan 8.190 nan 0.000 0.453 3 V N 2.110 122.039 119.914 0.024 0.000 2.415 3 V HA 0.327 4.448 4.120 0.001 0.000 0.267 3 V C 0.079 176.189 176.094 0.027 0.000 1.042 3 V CA 0.146 62.458 62.300 0.020 0.000 1.000 3 V CB 0.474 32.306 31.823 0.014 0.000 1.015 3 V HN 0.662 nan 8.190 nan 0.000 0.478 4 V N 6.906 126.839 119.914 0.032 0.000 2.588 4 V HA 0.525 4.645 4.120 0.001 0.000 0.304 4 V C -0.234 175.872 176.094 0.019 0.000 1.042 4 V CA -0.527 61.804 62.300 0.052 0.000 0.877 4 V CB 2.202 34.075 31.823 0.083 0.000 0.996 4 V HN 0.661 nan 8.190 nan 0.000 0.425 5 I N 4.307 124.855 120.570 -0.036 0.000 2.362 5 I HA 0.570 4.741 4.170 0.001 0.000 0.289 5 I C 0.250 176.226 176.117 -0.236 0.000 0.994 5 I CA 0.005 61.148 61.300 -0.262 0.000 1.158 5 I CB 1.864 39.540 38.000 -0.541 0.000 1.315 5 I HN 0.763 nan 8.210 nan 0.000 0.451 6 S N 3.814 119.410 115.700 -0.174 0.000 2.677 6 S HA 0.403 4.874 4.470 0.001 0.000 0.304 6 S C 0.425 175.032 174.600 0.012 0.000 1.108 6 S CA -0.745 57.388 58.200 -0.112 0.000 0.944 6 S CB 2.082 65.330 63.200 0.081 0.000 1.127 6 S HN 0.644 nan 8.310 nan 0.000 0.511 7 Q N 0.406 120.202 119.800 -0.006 0.000 2.084 7 Q HA -0.074 4.267 4.340 0.001 0.000 0.202 7 Q C 2.386 178.462 176.000 0.127 0.000 0.978 7 Q CA 1.789 57.665 55.803 0.121 0.000 0.844 7 Q CB -0.557 28.160 28.738 -0.035 0.000 0.898 7 Q HN 0.893 nan 8.270 nan 0.000 0.426 8 A N 0.328 123.195 122.820 0.078 0.000 1.929 8 A HA -0.023 4.297 4.320 0.001 0.000 0.216 8 A C 1.052 178.752 177.584 0.193 0.000 1.176 8 A CA 0.839 52.952 52.037 0.126 0.000 0.628 8 A CB 0.103 19.174 19.000 0.118 0.000 0.816 8 A HN 0.268 nan 8.150 nan 0.000 0.444 9 L N 0.277 121.608 121.223 0.179 0.000 2.495 9 L HA 0.275 4.615 4.340 0.001 0.000 0.248 9 L C -1.994 174.934 176.870 0.097 0.000 1.229 9 L CA -1.275 53.686 54.840 0.200 0.000 0.942 9 L CB 1.992 44.171 42.059 0.200 0.000 1.242 9 L HN 0.141 nan 8.230 nan 0.000 0.484 10 P HA -0.009 nan 4.420 nan 0.000 0.236 10 P C 0.352 177.593 177.300 -0.099 0.000 1.177 10 P CA 0.519 63.618 63.100 -0.001 0.000 0.773 10 P CB 0.709 32.566 31.700 0.263 0.000 0.878 11 V N 3.334 123.184 119.914 -0.107 0.000 2.284 11 V HA 0.277 4.397 4.120 0.001 0.000 0.274 11 V C -2.235 173.792 176.094 -0.112 0.000 1.023 11 V CA -1.918 60.253 62.300 -0.215 0.000 0.808 11 V CB 0.952 32.448 31.823 -0.545 0.000 1.035 11 V HN 0.002 nan 8.190 nan 0.000 0.445 12 P HA 0.333 nan 4.420 nan 0.000 0.272 12 P C -0.087 177.192 177.300 -0.034 0.000 1.223 12 P CA 0.064 63.143 63.100 -0.036 0.000 0.784 12 P CB 0.603 32.284 31.700 -0.033 0.000 0.923 13 T N -0.732 113.819 114.554 -0.004 0.000 2.912 13 T HA 0.595 4.945 4.350 0.001 0.000 0.288 13 T C 0.031 174.741 174.700 0.017 0.000 1.030 13 T CA -1.146 60.954 62.100 0.000 0.000 1.020 13 T CB 1.324 70.197 68.868 0.009 0.000 1.056 13 T HN 0.205 nan 8.240 nan 0.000 0.480 14 R N 1.189 121.699 120.500 0.016 0.000 2.490 14 R HA 0.544 4.884 4.340 0.001 0.000 0.278 14 R C -0.305 176.013 176.300 0.030 0.000 1.069 14 R CA -0.644 55.468 56.100 0.020 0.000 1.080 14 R CB 0.522 30.832 30.300 0.017 0.000 1.030 14 R HN 0.534 nan 8.270 nan 0.000 0.491 15 I N 4.508 125.096 120.570 0.029 0.000 2.439 15 I HA 0.275 4.445 4.170 0.001 0.000 0.283 15 I C -2.007 174.124 176.117 0.023 0.000 1.023 15 I CA -2.322 58.997 61.300 0.031 0.000 1.100 15 I CB 1.570 39.592 38.000 0.037 0.000 1.238 15 I HN 0.458 nan 8.210 nan 0.000 0.445 16 P HA 0.582 nan 4.420 nan 0.000 0.276 16 P C -0.228 177.087 177.300 0.026 0.000 1.244 16 P CA -0.051 63.062 63.100 0.023 0.000 0.801 16 P CB 1.867 33.578 31.700 0.017 0.000 1.006 17 G N -1.056 107.762 108.800 0.030 0.000 2.506 17 G HA2 0.475 4.436 3.960 0.001 0.000 0.292 17 G HA3 0.475 4.436 3.960 0.001 0.000 0.292 17 G C -1.399 173.524 174.900 0.037 0.000 1.425 17 G CA -0.630 44.490 45.100 0.033 0.000 0.788 17 G HN 0.479 nan 8.290 nan 0.000 0.490 18 V N -1.950 117.989 119.914 0.042 0.000 2.260 18 V HA 0.777 4.897 4.120 0.001 0.000 0.263 18 V C 0.644 176.770 176.094 0.052 0.000 1.036 18 V CA -0.360 61.968 62.300 0.046 0.000 0.874 18 V CB 0.232 32.081 31.823 0.043 0.000 1.116 18 V HN 1.697 nan 8.190 nan 0.000 0.454 19 A N 3.159 126.008 122.820 0.048 0.000 2.462 19 A HA 0.477 4.798 4.320 0.001 0.000 0.243 19 A C 0.294 177.908 177.584 0.051 0.000 1.076 19 A CA -0.003 52.060 52.037 0.044 0.000 0.773 19 A CB 0.077 19.097 19.000 0.033 0.000 1.010 19 A HN 0.799 nan 8.150 nan 0.000 0.493 20 D N 0.521 120.954 120.400 0.055 0.000 2.388 20 D HA 0.524 5.164 4.640 0.001 0.000 0.254 20 D C -0.329 176.008 176.300 0.063 0.000 1.111 20 D CA -0.025 54.014 54.000 0.065 0.000 0.993 20 D CB 1.016 41.868 40.800 0.087 0.000 1.118 20 D HN 0.409 nan 8.370 nan 0.000 0.502 21 L N 0.471 121.741 121.223 0.078 0.000 2.329 21 L HA 0.518 4.859 4.340 0.001 0.000 0.279 21 L C -0.549 176.385 176.870 0.107 0.000 1.014 21 L CA -0.958 53.962 54.840 0.132 0.000 0.814 21 L CB 1.943 44.096 42.059 0.155 0.000 1.257 21 L HN -0.032 nan 8.230 nan 0.000 0.424 22 V N 1.151 121.135 119.914 0.116 0.000 2.638 22 V HA 0.746 4.867 4.120 0.001 0.000 0.306 22 V C 0.116 176.240 176.094 0.049 0.000 1.052 22 V CA -0.506 61.810 62.300 0.026 0.000 0.885 22 V CB 1.906 33.705 31.823 -0.040 0.000 0.999 22 V HN 0.888 nan 8.190 nan 0.000 0.424 23 G N 2.586 111.406 108.800 0.033 0.000 2.590 23 G HA2 0.673 4.633 3.960 0.001 0.000 0.310 23 G HA3 0.673 4.633 3.960 0.001 0.000 0.310 23 G C -1.238 173.844 174.900 0.302 0.000 1.347 23 G CA -0.452 44.803 45.100 0.257 0.000 0.963 23 G HN 0.448 nan 8.290 nan 0.000 0.494 24 F N 2.596 122.762 119.950 0.359 0.000 2.406 24 F HA 0.448 4.976 4.527 0.001 0.000 0.358 24 F C 1.261 177.110 175.800 0.082 0.000 1.161 24 F CA -0.306 57.811 58.000 0.195 0.000 1.185 24 F CB 1.326 40.374 39.000 0.079 0.000 1.421 24 F HN 0.541 nan 8.300 nan 0.000 0.576 25 G N 1.643 110.475 108.800 0.054 0.000 2.543 25 G HA2 0.064 4.024 3.960 0.001 0.000 0.290 25 G HA3 0.064 4.024 3.960 0.001 0.000 0.290 25 G C 0.791 175.536 174.900 -0.259 0.000 1.310 25 G CA -0.625 44.032 45.100 -0.739 0.000 1.025 25 G HN 0.424 nan 8.290 nan 0.000 0.502 26 N N 0.004 118.484 118.700 -0.367 0.000 2.149 26 N HA -0.098 4.643 4.740 0.001 0.000 0.188 26 N C 2.113 177.642 175.510 0.033 0.000 1.019 26 N CA 1.468 54.466 53.050 -0.087 0.000 0.857 26 N CB -0.191 38.209 38.487 -0.145 0.000 0.997 26 N HN 0.528 nan 8.380 nan 0.000 0.426 27 G N -1.445 107.389 108.800 0.057 0.000 3.042 27 G HA2 0.462 4.422 3.960 0.001 0.000 0.212 27 G HA3 0.462 4.422 3.960 0.001 0.000 0.212 27 G C 0.565 175.515 174.900 0.082 0.000 1.166 27 G CA 0.502 45.673 45.100 0.118 0.000 0.767 27 G HN 0.646 nan 8.290 nan 0.000 0.546 28 G N -1.379 107.475 108.800 0.090 0.000 2.278 28 G HA2 0.208 4.168 3.960 0.001 0.000 0.265 28 G HA3 0.208 4.168 3.960 0.001 0.000 0.265 28 G C -1.434 173.399 174.900 -0.110 0.000 1.329 28 G CA -0.253 44.809 45.100 -0.065 0.000 1.017 28 G HN 0.595 nan 8.290 nan 0.000 0.472 29 V N 0.749 120.460 119.914 -0.338 0.000 2.435 29 V HA 0.717 4.838 4.120 0.001 0.000 0.290 29 V C -0.821 174.958 176.094 -0.525 0.000 1.030 29 V CA -0.414 61.646 62.300 -0.400 0.000 0.881 29 V CB 0.911 32.397 31.823 -0.561 0.000 0.983 29 V HN 0.633 nan 8.190 nan 0.000 0.445 30 Y N 4.581 124.814 120.300 -0.111 0.000 2.462 30 Y HA 0.759 5.309 4.550 0.001 0.000 0.346 30 Y C 0.126 175.983 175.900 -0.071 0.000 0.976 30 Y CA -0.959 57.130 58.100 -0.017 0.000 1.044 30 Y CB 2.044 40.586 38.460 0.137 0.000 1.230 30 Y HN 0.654 nan 8.280 nan 0.000 0.455 31 I N 0.452 121.085 120.570 0.105 0.000 2.785 31 I HA 0.729 4.899 4.170 0.001 0.000 0.302 31 I C -1.382 174.792 176.117 0.095 0.000 1.069 31 I CA -1.105 60.238 61.300 0.072 0.000 1.045 31 I CB 2.467 40.511 38.000 0.073 0.000 1.236 31 I HN 0.524 nan 8.210 nan 0.000 0.429 32 I N 4.245 124.861 120.570 0.076 0.000 2.437 32 I HA 0.373 4.544 4.170 0.001 0.000 0.279 32 I C -0.161 175.997 176.117 0.069 0.000 1.028 32 I CA -0.558 60.776 61.300 0.057 0.000 1.142 32 I CB 1.266 39.279 38.000 0.022 0.000 1.266 32 I HN 0.590 nan 8.210 nan 0.000 0.461 33 R N 5.020 125.570 120.500 0.083 0.000 2.401 33 R HA 0.075 4.415 4.340 0.001 0.000 0.299 33 R C 0.168 176.505 176.300 0.061 0.000 1.064 33 R CA 0.061 56.218 56.100 0.096 0.000 1.000 33 R CB 0.242 30.603 30.300 0.101 0.000 0.973 33 R HN 0.482 nan 8.270 nan 0.000 0.438 34 N N 2.790 121.529 118.700 0.066 0.000 2.406 34 N HA 0.048 4.789 4.740 0.001 0.000 0.265 34 N C -1.479 174.053 175.510 0.036 0.000 1.203 34 N CA 0.510 53.587 53.050 0.046 0.000 0.945 34 N CB 0.211 38.730 38.487 0.052 0.000 1.165 34 N HN 0.744 nan 8.380 nan 0.000 0.485 35 S N 2.175 117.889 115.700 0.023 0.000 2.683 35 S HA 0.268 4.739 4.470 0.001 0.000 0.269 35 S C 0.900 175.505 174.600 0.009 0.000 1.165 35 S CA -0.809 57.399 58.200 0.013 0.000 0.840 35 S CB 0.219 63.424 63.200 0.008 0.000 1.169 35 S HN 0.217 nan 8.310 nan 0.000 0.490 36 L N -0.190 121.036 121.223 0.004 0.000 2.362 36 L HA 0.207 4.547 4.340 0.001 0.000 0.219 36 L C 0.412 177.282 176.870 0.001 0.000 1.134 36 L CA 0.843 55.685 54.840 0.002 0.000 0.807 36 L CB -0.430 41.629 42.059 -0.000 0.000 0.927 36 L HN 0.552 nan 8.230 nan 0.000 0.447 37 L N 0.879 122.103 121.223 0.002 0.000 2.318 37 L HA 0.435 4.776 4.340 0.001 0.000 0.277 37 L C -0.478 176.394 176.870 0.003 0.000 1.008 37 L CA -0.250 54.591 54.840 0.001 0.000 0.846 37 L CB 0.953 43.013 42.059 0.002 0.000 1.220 37 L HN -0.181 nan 8.230 nan 0.000 0.423 38 I N 5.753 126.322 120.570 -0.003 0.000 2.304 38 I HA 0.414 4.585 4.170 0.001 0.000 0.291 38 I C -0.023 176.088 176.117 -0.010 0.000 1.018 38 I CA -0.030 61.265 61.300 -0.008 0.000 1.260 38 I CB 0.756 38.742 38.000 -0.023 0.000 1.390 38 I HN 0.806 nan 8.210 nan 0.000 0.475 39 Q N 4.825 124.626 119.800 0.002 0.000 2.575 39 Q HA 0.629 4.969 4.340 0.001 0.000 0.290 39 Q C -2.020 173.996 176.000 0.027 0.000 0.963 39 Q CA -0.916 54.892 55.803 0.009 0.000 0.783 39 Q CB 2.203 30.952 28.738 0.019 0.000 1.467 39 Q HN 0.188 nan 8.270 nan 0.000 0.402 40 V N 1.402 121.339 119.914 0.039 0.000 2.465 40 V HA 0.442 4.562 4.120 0.001 0.000 0.279 40 V C -0.459 175.711 176.094 0.126 0.000 1.045 40 V CA -0.513 61.836 62.300 0.083 0.000 0.938 40 V CB 1.415 33.281 31.823 0.072 0.000 0.986 40 V HN 0.582 nan 8.190 nan 0.000 0.467 41 V N 5.038 125.041 119.914 0.148 0.000 2.444 41 V HA 0.370 4.490 4.120 0.001 0.000 0.294 41 V C 0.107 176.280 176.094 0.131 0.000 1.022 41 V CA -1.018 61.361 62.300 0.132 0.000 0.850 41 V CB 1.656 33.539 31.823 0.100 0.000 0.992 41 V HN 0.844 nan 8.190 nan 0.000 0.426 42 K N 3.006 123.459 120.400 0.088 0.000 2.339 42 K HA 0.319 4.639 4.320 0.001 0.000 0.286 42 K C 0.701 177.218 176.600 -0.139 0.000 1.050 42 K CA -0.063 56.111 56.287 -0.188 0.000 0.956 42 K CB 1.253 33.607 32.500 -0.243 0.000 0.990 42 K HN 0.651 nan 8.250 nan 0.000 0.475 43 V N 2.417 122.209 119.914 -0.203 0.000 3.570 43 V HA 0.347 4.468 4.120 0.001 0.000 0.257 43 V C 0.329 176.376 176.094 -0.078 0.000 1.272 43 V CA -0.067 62.194 62.300 -0.065 0.000 1.079 43 V CB 0.024 31.868 31.823 0.035 0.000 0.829 43 V HN 0.564 nan 8.190 nan 0.000 0.454 44 I N 1.315 121.773 120.570 -0.186 0.000 2.571 44 I HA 0.358 4.528 4.170 0.001 0.000 0.289 44 I C -0.442 175.592 176.117 -0.139 0.000 1.115 44 I CA -0.240 61.000 61.300 -0.100 0.000 1.045 44 I CB 2.122 40.108 38.000 -0.023 0.000 1.238 44 I HN 0.041 nan 8.210 nan 0.000 0.424 45 N N 5.674 124.315 118.700 -0.098 0.000 3.259 45 N HA 0.167 4.907 4.740 0.001 0.000 0.308 45 N C -0.716 174.725 175.510 -0.115 0.000 1.334 45 N CA 0.171 53.161 53.050 -0.100 0.000 1.202 45 N CB 0.139 38.584 38.487 -0.070 0.000 1.485 45 N HN 0.601 nan 8.380 nan 0.000 0.549 46 N N 0.037 118.658 118.700 -0.132 0.000 3.261 46 N HA 0.141 4.882 4.740 0.001 0.000 0.248 46 N C -0.717 174.654 175.510 -0.231 0.000 1.498 46 N CA -0.333 52.556 53.050 -0.267 0.000 0.884 46 N CB 0.450 38.649 38.487 -0.479 0.000 1.428 46 N HN 0.101 nan 8.380 nan 0.000 0.517 47 F N -1.561 118.003 119.950 -0.643 0.000 3.084 47 F HA -0.133 4.394 4.527 0.001 0.000 0.286 47 F C 0.784 176.274 175.800 -0.517 0.000 0.855 47 F CA 1.114 58.347 58.000 -1.277 0.000 1.091 47 F CB -1.671 36.927 39.000 -0.670 0.000 1.177 47 F HN 0.437 nan 8.300 nan 0.000 0.542 48 G N -1.998 106.769 108.800 -0.054 0.000 2.537 48 G HA2 0.416 4.377 3.960 0.001 0.000 0.308 48 G HA3 0.416 4.377 3.960 0.001 0.000 0.308 48 G C 0.009 175.063 174.900 0.256 0.000 1.237 48 G CA -0.559 44.631 45.100 0.150 0.000 0.968 48 G HN 0.080 nan 8.290 nan 0.000 0.481 49 Y N -0.029 120.345 120.300 0.122 0.000 2.128 49 Y HA -0.135 4.415 4.550 0.001 0.000 0.284 49 Y C 1.635 177.575 175.900 0.067 0.000 1.154 49 Y CA 2.346 60.506 58.100 0.100 0.000 1.149 49 Y CB 0.528 39.002 38.460 0.023 0.000 0.976 49 Y HN 0.385 nan 8.280 nan 0.000 0.505 50 D N -0.665 119.853 120.400 0.197 0.000 2.402 50 D HA 0.281 4.921 4.640 0.001 0.000 0.216 50 D C -0.305 176.024 176.300 0.049 0.000 1.128 50 D CA 0.454 54.514 54.000 0.100 0.000 0.833 50 D CB 0.395 41.271 40.800 0.127 0.000 0.971 50 D HN 0.221 nan 8.370 nan 0.000 0.503 51 A N 0.110 122.965 122.820 0.059 0.000 3.030 51 A HA 0.586 4.907 4.320 0.001 0.000 0.335 51 A C 1.058 178.671 177.584 0.049 0.000 1.089 51 A CA -0.081 51.967 52.037 0.018 0.000 0.807 51 A CB 0.329 19.326 19.000 -0.004 0.000 1.099 51 A HN 0.091 nan 8.150 nan 0.000 0.474 52 G N -0.074 108.744 108.800 0.030 0.000 2.184 52 G HA2 0.213 4.174 3.960 0.001 0.000 0.206 52 G HA3 0.213 4.174 3.960 0.001 0.000 0.206 52 G C 1.397 176.257 174.900 -0.067 0.000 0.995 52 G CA 0.646 45.768 45.100 0.036 0.000 0.651 52 G HN 2.437 nan 8.290 nan 0.000 0.511 53 G N -1.152 107.613 108.800 -0.059 0.000 2.221 53 G HA2 -0.240 3.721 3.960 0.001 0.000 0.265 53 G HA3 -0.240 3.721 3.960 0.001 0.000 0.265 53 G C 0.295 175.051 174.900 -0.240 0.000 1.041 53 G CA 0.508 45.478 45.100 -0.216 0.000 0.807 53 G HN 1.109 nan 8.290 nan 0.000 0.502 54 W N -0.086 121.115 121.300 -0.166 0.000 2.218 54 W HA 0.735 5.396 4.660 0.001 0.000 0.326 54 W C 0.823 177.406 176.519 0.108 0.000 1.276 54 W CA -0.408 56.943 57.345 0.010 0.000 1.210 54 W CB 0.690 30.163 29.460 0.021 0.000 1.143 54 W HN 0.032 nan 8.180 nan 0.000 0.563 55 R N 2.346 123.133 120.500 0.478 0.000 2.538 55 R HA 0.185 4.525 4.340 0.001 0.000 0.292 55 R C 0.774 177.159 176.300 0.142 0.000 1.008 55 R CA -0.563 55.642 56.100 0.176 0.000 0.896 55 R CB 1.146 31.395 30.300 -0.085 0.000 1.187 55 R HN 0.550 nan 8.270 nan 0.000 0.440 56 V N 0.309 120.316 119.914 0.155 0.000 2.568 56 V HA -0.211 3.910 4.120 0.001 0.000 0.253 56 V C 1.099 177.221 176.094 0.047 0.000 1.072 56 V CA 1.651 64.017 62.300 0.110 0.000 1.084 56 V CB -0.239 31.640 31.823 0.094 0.000 0.676 56 V HN 0.621 nan 8.190 nan 0.000 0.469 57 E N 0.377 120.574 120.200 -0.005 0.000 2.358 57 E HA 0.048 4.399 4.350 0.001 0.000 0.195 57 E C 1.961 178.506 176.600 -0.092 0.000 1.010 57 E CA 0.874 57.253 56.400 -0.035 0.000 0.856 57 E CB -0.046 29.628 29.700 -0.044 0.000 0.795 57 E HN 0.709 nan 8.360 nan 0.000 0.504 58 K N -1.210 119.030 120.400 -0.266 0.000 2.511 58 K HA 0.215 4.535 4.320 0.001 0.000 0.209 58 K C -0.188 176.206 176.600 -0.343 0.000 1.301 58 K CA 0.101 56.120 56.287 -0.447 0.000 0.967 58 K CB 0.821 32.668 32.500 -1.087 0.000 1.109 58 K HN 0.141 nan 8.250 nan 0.000 0.561 59 H N -0.661 118.487 119.070 0.129 0.000 2.865 59 H HA 0.474 5.030 4.556 0.001 0.000 0.372 59 H C -1.270 174.232 175.328 0.290 0.000 1.173 59 H CA -1.177 55.001 56.048 0.216 0.000 1.147 59 H CB 2.479 32.336 29.762 0.157 0.000 1.805 59 H HN -0.271 nan 8.280 nan 0.000 0.553 60 V N 1.765 121.997 119.914 0.529 0.000 2.604 60 V HA 0.494 4.615 4.120 0.001 0.000 0.305 60 V C -0.396 175.951 176.094 0.422 0.000 1.043 60 V CA -0.769 61.761 62.300 0.383 0.000 0.888 60 V CB 1.778 33.722 31.823 0.202 0.000 0.995 60 V HN 0.677 nan 8.190 nan 0.000 0.429 61 R N 4.322 124.903 120.500 0.135 0.000 2.502 61 R HA 0.836 5.176 4.340 0.001 0.000 0.300 61 R C -1.459 174.773 176.300 -0.114 0.000 0.984 61 R CA -0.458 55.493 56.100 -0.249 0.000 0.882 61 R CB 1.912 31.596 30.300 -1.027 0.000 1.180 61 R HN 0.593 nan 8.270 nan 0.000 0.444 62 L N 2.883 124.080 121.223 -0.043 0.000 2.322 62 L HA 0.662 5.003 4.340 0.001 0.000 0.252 62 L C -1.131 175.718 176.870 -0.035 0.000 1.055 62 L CA -1.211 53.611 54.840 -0.030 0.000 0.849 62 L CB 1.892 43.996 42.059 0.075 0.000 1.446 62 L HN 0.346 nan 8.230 nan 0.000 0.416 63 L N 0.863 122.003 121.223 -0.138 0.000 2.365 63 L HA 0.949 5.289 4.340 0.001 0.000 0.273 63 L C -0.598 176.224 176.870 -0.079 0.000 1.000 63 L CA -0.277 54.505 54.840 -0.096 0.000 0.819 63 L CB 1.964 43.945 42.059 -0.130 0.000 1.284 63 L HN 0.713 nan 8.230 nan 0.000 0.418 64 A N 1.107 123.907 122.820 -0.033 0.000 2.594 64 A HA 0.486 4.807 4.320 0.001 0.000 0.296 64 A C -1.842 175.745 177.584 0.006 0.000 1.061 64 A CA -0.619 51.411 52.037 -0.012 0.000 0.689 64 A CB 1.515 20.526 19.000 0.017 0.000 1.280 64 A HN 0.617 nan 8.150 nan 0.000 0.406 65 D N 1.840 122.242 120.400 0.002 0.000 2.352 65 D HA 0.327 4.968 4.640 0.001 0.000 0.245 65 D C 1.317 177.636 176.300 0.032 0.000 1.224 65 D CA 0.856 54.860 54.000 0.006 0.000 0.879 65 D CB 0.840 41.634 40.800 -0.009 0.000 1.057 65 D HN 0.592 nan 8.370 nan 0.000 0.491 66 T N -0.545 114.042 114.554 0.055 0.000 3.086 66 T HA 0.016 4.367 4.350 0.001 0.000 0.250 66 T C 1.279 176.007 174.700 0.047 0.000 1.074 66 T CA 0.654 62.812 62.100 0.097 0.000 0.988 66 T CB -0.042 68.948 68.868 0.203 0.000 0.988 66 T HN 0.362 nan 8.240 nan 0.000 0.530 67 T N -3.565 110.999 114.554 0.017 0.000 2.958 67 T HA 0.503 4.854 4.350 0.001 0.000 0.256 67 T C 1.809 176.499 174.700 -0.016 0.000 0.983 67 T CA 0.738 62.835 62.100 -0.005 0.000 0.924 67 T CB 0.029 68.898 68.868 0.002 0.000 1.136 67 T HN 0.919 nan 8.240 nan 0.000 0.506 68 G N 2.732 111.525 108.800 -0.012 0.000 2.176 68 G HA2 -0.232 3.728 3.960 0.001 0.000 0.232 68 G HA3 -0.232 3.728 3.960 0.001 0.000 0.232 68 G C 0.418 175.313 174.900 -0.009 0.000 0.986 68 G CA 0.458 45.550 45.100 -0.014 0.000 0.643 68 G HN 0.747 nan 8.290 nan 0.000 0.522 69 D N 0.481 120.877 120.400 -0.007 0.000 2.319 69 D HA 0.108 4.748 4.640 0.001 0.000 0.230 69 D C 0.931 177.235 176.300 0.006 0.000 1.094 69 D CA 0.240 54.239 54.000 -0.001 0.000 0.856 69 D CB -1.126 39.674 40.800 -0.000 0.000 0.915 69 D HN 0.608 nan 8.370 nan 0.000 0.517 70 N N -0.777 117.922 118.700 -0.001 0.000 2.708 70 N HA -0.224 4.516 4.740 0.001 0.000 0.251 70 N C -0.837 174.664 175.510 -0.015 0.000 1.123 70 N CA 0.746 53.795 53.050 -0.001 0.000 0.739 70 N CB -1.087 37.407 38.487 0.013 0.000 1.113 70 N HN 0.481 nan 8.380 nan 0.000 0.561 71 Q N 0.054 119.828 119.800 -0.043 0.000 2.282 71 Q HA 0.531 4.872 4.340 0.001 0.000 0.260 71 Q C -0.605 175.310 176.000 -0.142 0.000 0.964 71 Q CA -0.588 55.125 55.803 -0.149 0.000 0.880 71 Q CB 1.735 30.386 28.738 -0.146 0.000 1.286 71 Q HN 0.068 nan 8.270 nan 0.000 0.445 72 S N 2.013 117.603 115.700 -0.184 0.000 2.545 72 S HA 0.214 4.685 4.470 0.001 0.000 0.275 72 S C -0.496 174.130 174.600 0.043 0.000 1.299 72 S CA -0.589 57.570 58.200 -0.067 0.000 1.048 72 S CB 0.483 63.643 63.200 -0.068 0.000 0.938 72 S HN 0.402 nan 8.310 nan 0.000 0.496 73 D N 1.199 121.646 120.400 0.078 0.000 2.326 73 D HA 0.383 5.023 4.640 0.001 0.000 0.251 73 D C -0.408 175.942 176.300 0.084 0.000 1.023 73 D CA -0.448 53.657 54.000 0.175 0.000 0.966 73 D CB 1.342 42.206 40.800 0.107 0.000 1.156 73 D HN 0.181 nan 8.370 nan 0.000 0.494 74 V N 1.294 121.222 119.914 0.024 0.000 2.432 74 V HA 0.273 4.393 4.120 0.001 0.000 0.275 74 V C 0.070 176.024 176.094 -0.233 0.000 1.043 74 V CA -0.478 61.689 62.300 -0.221 0.000 0.925 74 V CB 1.489 32.996 31.823 -0.527 0.000 0.985 74 V HN 0.241 nan 8.190 nan 0.000 0.466 75 V N 4.059 123.840 119.914 -0.221 0.000 2.483 75 V HA 0.795 4.916 4.120 0.001 0.000 0.297 75 V C 0.429 176.425 176.094 -0.163 0.000 1.027 75 V CA -0.375 61.825 62.300 -0.168 0.000 0.855 75 V CB 1.829 33.564 31.823 -0.148 0.000 0.995 75 V HN 0.944 nan 8.190 nan 0.000 0.424 76 G N 3.059 111.886 108.800 0.045 0.000 2.544 76 G HA2 0.669 4.629 3.960 0.001 0.000 0.313 76 G HA3 0.669 4.629 3.960 0.001 0.000 0.313 76 G C -1.116 174.069 174.900 0.475 0.000 1.316 76 G CA -0.468 44.840 45.100 0.348 0.000 0.944 76 G HN 0.473 nan 8.290 nan 0.000 0.489 77 F N 2.846 123.100 119.950 0.506 0.000 2.377 77 F HA 0.431 4.959 4.527 0.001 0.000 0.360 77 F C 1.310 177.346 175.800 0.394 0.000 1.147 77 F CA -0.228 57.992 58.000 0.366 0.000 1.170 77 F CB 1.300 40.423 39.000 0.206 0.000 1.339 77 F HN 0.572 nan 8.300 nan 0.000 0.552 78 G N 1.603 110.623 108.800 0.366 0.000 2.582 78 G HA2 0.091 4.052 3.960 0.001 0.000 0.232 78 G HA3 0.091 4.052 3.960 0.001 0.000 0.232 78 G C 0.706 175.561 174.900 -0.074 0.000 1.458 78 G CA -0.155 44.731 45.100 -0.357 0.000 1.062 78 G HN 0.478 nan 8.290 nan 0.000 0.566 79 E N -0.366 119.676 120.200 -0.264 0.000 2.072 79 E HA -0.044 4.307 4.350 0.001 0.000 0.190 79 E C 1.652 178.345 176.600 0.154 0.000 0.982 79 E CA 1.714 58.142 56.400 0.048 0.000 0.803 79 E CB -0.037 29.630 29.700 -0.054 0.000 0.755 79 E HN 0.546 nan 8.360 nan 0.000 0.453 80 N N -1.246 117.535 118.700 0.134 0.000 2.170 80 N HA 0.369 5.110 4.740 0.001 0.000 0.222 80 N C -0.130 175.408 175.510 0.048 0.000 1.218 80 N CA 0.186 53.298 53.050 0.104 0.000 0.889 80 N CB 1.992 40.526 38.487 0.077 0.000 1.083 80 N HN 0.166 nan 8.380 nan 0.000 0.520 81 G N -0.527 108.307 108.800 0.057 0.000 2.340 81 G HA2 0.331 4.291 3.960 0.001 0.000 0.299 81 G HA3 0.331 4.291 3.960 0.001 0.000 0.299 81 G C -1.979 172.877 174.900 -0.072 0.000 1.291 81 G CA -0.643 44.411 45.100 -0.078 0.000 0.841 81 G HN -0.091 nan 8.290 nan 0.000 0.500 82 V N 0.242 120.013 119.914 -0.238 0.000 2.407 82 V HA 0.574 4.695 4.120 0.001 0.000 0.278 82 V C -0.881 175.017 176.094 -0.327 0.000 1.037 82 V CA -0.211 61.905 62.300 -0.307 0.000 0.900 82 V CB 0.904 32.404 31.823 -0.539 0.000 0.983 82 V HN 0.565 nan 8.190 nan 0.000 0.459 83 W N 4.967 126.248 121.300 -0.032 0.000 2.573 83 W HA 0.782 5.443 4.660 0.001 0.000 0.326 83 W C -0.355 176.237 176.519 0.123 0.000 1.049 83 W CA -0.445 56.956 57.345 0.094 0.000 1.220 83 W CB 1.384 30.986 29.460 0.236 0.000 1.373 83 W HN 0.329 nan 8.180 nan 0.000 0.507 84 I N 2.593 123.368 120.570 0.341 0.000 2.499 84 I HA 0.249 4.420 4.170 0.001 0.000 0.288 84 I C -0.392 175.911 176.117 0.309 0.000 1.048 84 I CA -0.836 60.605 61.300 0.235 0.000 1.062 84 I CB 1.977 40.027 38.000 0.083 0.000 1.238 84 I HN 0.157 nan 8.210 nan 0.000 0.426 85 S N 3.670 119.551 115.700 0.302 0.000 2.438 85 S HA 0.369 4.839 4.470 0.001 0.000 0.316 85 S C 0.142 174.913 174.600 0.285 0.000 1.084 85 S CA -0.628 57.751 58.200 0.298 0.000 1.107 85 S CB 1.063 64.464 63.200 0.336 0.000 0.981 85 S HN 0.717 nan 8.310 nan 0.000 0.466 86 T N 1.486 116.166 114.554 0.209 0.000 2.910 86 T HA 0.306 4.657 4.350 0.001 0.000 0.293 86 T C 0.151 174.851 174.700 -0.001 0.000 1.015 86 T CA -0.905 61.270 62.100 0.124 0.000 1.094 86 T CB 0.457 69.363 68.868 0.063 0.000 0.968 86 T HN 0.412 nan 8.240 nan 0.000 0.521 87 N N 1.898 120.460 118.700 -0.230 0.000 2.452 87 N HA 0.052 4.792 4.740 0.001 0.000 0.266 87 N C 0.509 175.798 175.510 -0.369 0.000 1.175 87 N CA -0.212 52.386 53.050 -0.753 0.000 0.945 87 N CB 0.374 38.489 38.487 -0.620 0.000 1.063 87 N HN 0.526 nan 8.380 nan 0.000 0.472 88 N N 2.449 120.931 118.700 -0.362 0.000 2.467 88 N HA 0.031 4.772 4.740 0.001 0.000 0.184 88 N C 1.079 176.540 175.510 -0.080 0.000 1.106 88 N CA 0.869 53.830 53.050 -0.148 0.000 0.892 88 N CB 0.181 38.609 38.487 -0.099 0.000 0.969 88 N HN 0.821 nan 8.380 nan 0.000 0.454 89 G N 1.307 110.085 108.800 -0.037 0.000 2.213 89 G HA2 -0.261 3.699 3.960 0.001 0.000 0.226 89 G HA3 -0.261 3.699 3.960 0.001 0.000 0.226 89 G C 0.177 175.050 174.900 -0.046 0.000 0.992 89 G CA 0.269 45.421 45.100 0.088 0.000 0.632 89 G HN 0.517 nan 8.290 nan 0.000 0.511 90 N N 0.190 118.862 118.700 -0.047 0.000 2.497 90 N HA 0.236 4.977 4.740 0.001 0.000 0.284 90 N C 0.495 175.992 175.510 -0.021 0.000 1.459 90 N CA -0.231 52.770 53.050 -0.082 0.000 0.899 90 N CB -0.372 38.082 38.487 -0.055 0.000 1.316 90 N HN 0.209 nan 8.380 nan 0.000 0.500 91 N N -0.395 118.342 118.700 0.062 0.000 2.741 91 N HA -0.155 4.586 4.740 0.001 0.000 0.250 91 N C -0.841 174.764 175.510 0.159 0.000 1.115 91 N CA 1.674 54.820 53.050 0.161 0.000 0.724 91 N CB -1.838 36.713 38.487 0.107 0.000 1.090 91 N HN 0.842 nan 8.380 nan 0.000 0.558 92 T N -3.577 111.022 114.554 0.074 0.000 2.883 92 T HA 0.824 5.174 4.350 0.001 0.000 0.296 92 T C -0.591 174.074 174.700 -0.058 0.000 1.117 92 T CA -0.735 61.436 62.100 0.118 0.000 1.006 92 T CB 2.140 71.044 68.868 0.061 0.000 1.191 92 T HN 0.015 nan 8.240 nan 0.000 0.508 93 F N -0.176 119.785 119.950 0.020 0.000 2.613 93 F HA 0.592 5.119 4.527 0.001 0.000 0.314 93 F C -0.080 175.737 175.800 0.029 0.000 1.075 93 F CA -1.366 56.645 58.000 0.018 0.000 0.945 93 F CB 2.232 41.228 39.000 -0.006 0.000 1.310 93 F HN 0.441 nan 8.300 nan 0.000 0.467 94 V N 1.665 121.701 119.914 0.203 0.000 2.599 94 V HA 0.099 4.220 4.120 0.001 0.000 0.300 94 V C -0.641 175.555 176.094 0.169 0.000 1.034 94 V CA 0.593 62.983 62.300 0.150 0.000 1.115 94 V CB 0.640 32.540 31.823 0.129 0.000 0.934 94 V HN 0.592 nan 8.190 nan 0.000 0.485 95 D N 5.367 125.836 120.400 0.115 0.000 2.736 95 D HA 0.487 5.128 4.640 0.001 0.000 0.243 95 D C -2.147 174.186 176.300 0.056 0.000 1.304 95 D CA -1.068 52.982 54.000 0.084 0.000 0.934 95 D CB 2.016 42.851 40.800 0.059 0.000 1.382 95 D HN 0.421 nan 8.370 nan 0.000 0.571 96 P HA 0.460 nan 4.420 nan 0.000 0.276 96 P C -2.649 174.726 177.300 0.124 0.000 1.252 96 P CA -1.173 61.952 63.100 0.042 0.000 0.802 96 P CB 0.213 31.925 31.700 0.019 0.000 1.035 97 P HA 0.113 nan 4.420 nan 0.000 0.272 97 P C -0.519 177.036 177.300 0.425 0.000 1.240 97 P CA -0.100 63.190 63.100 0.316 0.000 0.791 97 P CB 0.689 32.630 31.700 0.402 0.000 0.978 98 K N 1.119 121.732 120.400 0.355 0.000 2.156 98 K HA 0.543 4.863 4.320 0.001 0.000 0.250 98 K C -0.297 176.287 176.600 -0.026 0.000 0.955 98 K CA -1.028 55.380 56.287 0.202 0.000 0.855 98 K CB 1.522 34.081 32.500 0.098 0.000 1.101 98 K HN 0.397 nan 8.250 nan 0.000 0.434 99 M N 4.241 123.552 119.600 -0.481 0.000 2.105 99 M HA 0.021 4.501 4.480 0.001 0.000 0.350 99 M C 0.364 176.426 176.300 -0.396 0.000 1.308 99 M CA -0.475 54.328 55.300 -0.829 0.000 1.108 99 M CB 1.193 33.045 32.600 -1.247 0.000 1.622 99 M HN 0.739 nan 8.290 nan 0.000 0.468 100 V N 4.096 123.811 119.914 -0.331 0.000 3.471 100 V HA 0.341 4.462 4.120 0.001 0.000 0.258 100 V C -0.131 175.869 176.094 -0.157 0.000 1.192 100 V CA 0.200 62.387 62.300 -0.187 0.000 1.116 100 V CB 0.317 32.009 31.823 -0.219 0.000 0.792 100 V HN 0.726 nan 8.190 nan 0.000 0.459 101 L N 0.861 121.945 121.223 -0.232 0.000 2.641 101 L HA 0.793 5.134 4.340 0.001 0.000 0.261 101 L C -0.154 176.636 176.870 -0.133 0.000 0.926 101 L CA -0.025 54.741 54.840 -0.123 0.000 0.917 101 L CB 1.708 43.732 42.059 -0.059 0.000 1.361 101 L HN 0.074 nan 8.230 nan 0.000 0.417 102 A N 3.836 126.600 122.820 -0.094 0.000 3.091 102 A HA 0.667 4.988 4.320 0.001 0.000 0.264 102 A C -0.057 177.497 177.584 -0.051 0.000 1.673 102 A CA 0.029 52.018 52.037 -0.081 0.000 1.362 102 A CB -0.954 18.004 19.000 -0.070 0.000 1.137 102 A HN 0.645 nan 8.150 nan 0.000 0.617 103 N N -0.731 117.947 118.700 -0.037 0.000 3.179 103 N HA 0.373 5.113 4.740 0.001 0.000 0.250 103 N C -0.416 175.050 175.510 -0.074 0.000 1.507 103 N CA -0.861 52.123 53.050 -0.110 0.000 0.883 103 N CB 0.330 38.678 38.487 -0.233 0.000 1.435 103 N HN 0.296 nan 8.380 nan 0.000 0.532 104 F N -1.683 117.992 119.950 -0.460 0.000 3.091 104 F HA -0.140 4.388 4.527 0.001 0.000 0.288 104 F C 0.147 175.716 175.800 -0.385 0.000 0.907 104 F CA 0.953 58.300 58.000 -1.088 0.000 1.028 104 F CB -1.774 36.898 39.000 -0.547 0.000 1.022 104 F HN 0.539 nan 8.300 nan 0.000 0.665 105 A N -1.566 121.296 122.820 0.071 0.000 2.527 105 A HA 0.641 4.961 4.320 0.001 0.000 0.293 105 A C 0.319 178.113 177.584 0.351 0.000 1.117 105 A CA -0.526 51.683 52.037 0.286 0.000 0.723 105 A CB 0.475 19.611 19.000 0.228 0.000 1.313 105 A HN 0.137 nan 8.150 nan 0.000 0.411 106 Y N 0.983 121.428 120.300 0.241 0.000 2.114 106 Y HA -0.129 4.422 4.550 0.001 0.000 0.282 106 Y C 1.949 177.924 175.900 0.124 0.000 1.165 106 Y CA 3.254 61.459 58.100 0.174 0.000 1.148 106 Y CB 0.107 38.635 38.460 0.113 0.000 0.972 106 Y HN 0.656 nan 8.280 nan 0.000 0.504 107 A N -1.219 121.761 122.820 0.267 0.000 2.574 107 A HA 0.699 5.020 4.320 0.001 0.000 0.283 107 A C 0.214 177.853 177.584 0.092 0.000 1.270 107 A CA 0.271 52.398 52.037 0.149 0.000 0.945 107 A CB -0.544 18.565 19.000 0.182 0.000 1.127 107 A HN 0.347 nan 8.150 nan 0.000 0.522 108 A N -0.978 121.906 122.820 0.106 0.000 2.702 108 A HA 0.561 4.881 4.320 0.001 0.000 0.305 108 A C 0.903 178.549 177.584 0.102 0.000 1.213 108 A CA 0.239 52.314 52.037 0.064 0.000 0.745 108 A CB -0.309 18.714 19.000 0.039 0.000 1.161 108 A HN 1.750 nan 8.150 nan 0.000 0.445 109 G N 0.811 109.644 108.800 0.054 0.000 2.176 109 G HA2 0.178 4.138 3.960 0.001 0.000 0.232 109 G HA3 0.178 4.138 3.960 0.001 0.000 0.232 109 G C 1.563 176.417 174.900 -0.077 0.000 0.986 109 G CA 0.797 45.923 45.100 0.043 0.000 0.643 109 G HN 2.656 nan 8.290 nan 0.000 0.522 110 G N -1.224 107.551 108.800 -0.042 0.000 2.246 110 G HA2 -0.231 3.729 3.960 0.001 0.000 0.273 110 G HA3 -0.231 3.729 3.960 0.001 0.000 0.273 110 G C 0.302 175.068 174.900 -0.223 0.000 1.055 110 G CA 0.541 45.528 45.100 -0.189 0.000 0.851 110 G HN 1.138 nan 8.290 nan 0.000 0.500 111 W N -0.228 120.985 121.300 -0.145 0.000 2.218 111 W HA 0.729 5.389 4.660 0.001 0.000 0.326 111 W C 0.859 177.436 176.519 0.098 0.000 1.276 111 W CA -0.355 56.992 57.345 0.002 0.000 1.210 111 W CB 0.687 30.160 29.460 0.021 0.000 1.143 111 W HN 0.046 nan 8.180 nan 0.000 0.563 112 R N 2.122 122.907 120.500 0.475 0.000 2.574 112 R HA 0.246 4.586 4.340 0.001 0.000 0.288 112 R C 0.400 176.775 176.300 0.126 0.000 1.004 112 R CA -0.761 55.428 56.100 0.148 0.000 0.895 112 R CB 1.488 31.714 30.300 -0.123 0.000 1.191 112 R HN 0.398 nan 8.270 nan 0.000 0.444 113 V N 2.228 122.222 119.914 0.133 0.000 2.594 113 V HA -0.218 3.902 4.120 0.001 0.000 0.253 113 V C 1.948 178.059 176.094 0.027 0.000 1.069 113 V CA 1.986 64.342 62.300 0.093 0.000 1.082 113 V CB -0.263 31.610 31.823 0.085 0.000 0.680 113 V HN 0.666 nan 8.190 nan 0.000 0.469 114 E N 0.181 120.370 120.200 -0.018 0.000 2.481 114 E HA -0.103 4.248 4.350 0.001 0.000 0.195 114 E C 1.442 177.986 176.600 -0.094 0.000 1.047 114 E CA 0.584 56.960 56.400 -0.040 0.000 0.867 114 E CB 0.027 29.708 29.700 -0.032 0.000 0.858 114 E HN 0.580 nan 8.360 nan 0.000 0.513 115 K N -0.441 119.801 120.400 -0.263 0.000 2.474 115 K HA 0.207 4.527 4.320 0.001 0.000 0.204 115 K C -0.014 176.377 176.600 -0.349 0.000 1.220 115 K CA 0.135 56.146 56.287 -0.459 0.000 0.966 115 K CB 0.790 32.576 32.500 -1.190 0.000 1.049 115 K HN 0.136 nan 8.250 nan 0.000 0.554 116 H N -0.661 118.455 119.070 0.076 0.000 2.865 116 H HA 0.487 5.043 4.556 0.001 0.000 0.372 116 H C -1.060 174.356 175.328 0.148 0.000 1.173 116 H CA -0.928 55.203 56.048 0.139 0.000 1.147 116 H CB 2.380 32.219 29.762 0.129 0.000 1.805 116 H HN -0.154 nan 8.280 nan 0.000 0.553 117 I N 1.470 122.223 120.570 0.304 0.000 2.465 117 I HA 0.428 4.598 4.170 0.001 0.000 0.291 117 I C -0.586 175.492 176.117 -0.064 0.000 1.014 117 I CA -0.547 60.735 61.300 -0.030 0.000 1.093 117 I CB 1.821 39.612 38.000 -0.350 0.000 1.267 117 I HN 0.346 nan 8.210 nan 0.000 0.431 118 R N 5.313 125.614 120.500 -0.332 0.000 2.476 118 R HA 0.652 4.993 4.340 0.001 0.000 0.305 118 R C -1.578 174.515 176.300 -0.346 0.000 0.965 118 R CA -0.519 55.273 56.100 -0.513 0.000 0.867 118 R CB 1.725 31.395 30.300 -1.049 0.000 1.176 118 R HN 0.302 nan 8.270 nan 0.000 0.447 119 F N 1.771 121.672 119.950 -0.081 0.000 2.611 119 F HA 0.563 5.090 4.527 0.001 0.000 0.324 119 F C 0.019 175.867 175.800 0.079 0.000 1.061 119 F CA -1.340 56.680 58.000 0.034 0.000 0.954 119 F CB 1.497 40.559 39.000 0.103 0.000 1.301 119 F HN 0.104 nan 8.300 nan 0.000 0.482 120 M N 1.906 121.691 119.600 0.308 0.000 2.294 120 M HA 0.749 5.230 4.480 0.001 0.000 0.335 120 M C -0.718 175.659 176.300 0.129 0.000 1.079 120 M CA -0.659 54.755 55.300 0.190 0.000 0.982 120 M CB 1.203 33.888 32.600 0.142 0.000 1.651 120 M HN 0.699 nan 8.290 nan 0.000 0.437 121 A N 1.937 124.828 122.820 0.118 0.000 2.566 121 A HA 0.500 4.821 4.320 0.001 0.000 0.297 121 A C -1.313 176.312 177.584 0.070 0.000 1.059 121 A CA -0.747 51.340 52.037 0.083 0.000 0.691 121 A CB 1.297 20.361 19.000 0.108 0.000 1.282 121 A HN 0.681 nan 8.150 nan 0.000 0.401 122 D N 2.328 122.754 120.400 0.043 0.000 2.402 122 D HA 0.320 4.961 4.640 0.001 0.000 0.235 122 D C 0.475 176.787 176.300 0.021 0.000 1.226 122 D CA 0.022 54.036 54.000 0.024 0.000 0.918 122 D CB 0.108 40.914 40.800 0.011 0.000 1.043 122 D HN 0.411 nan 8.370 nan 0.000 0.506 123 L N 2.730 123.962 121.223 0.015 0.000 2.567 123 L HA 0.222 4.562 4.340 0.001 0.000 0.225 123 L C 1.572 178.411 176.870 -0.050 0.000 1.119 123 L CA 0.154 54.990 54.840 -0.007 0.000 0.871 123 L CB 0.222 42.274 42.059 -0.011 0.000 1.036 123 L HN 0.190 nan 8.230 nan 0.000 0.459 124 R N -0.510 119.965 120.500 -0.040 0.000 2.590 124 R HA 0.177 4.517 4.340 0.001 0.000 0.410 124 R C -0.151 176.127 176.300 -0.037 0.000 1.010 124 R CA -0.251 55.818 56.100 -0.051 0.000 1.155 124 R CB 0.567 30.834 30.300 -0.056 0.000 1.455 124 R HN -0.054 nan 8.270 nan 0.000 0.567 125 K N 0.553 120.937 120.400 -0.026 0.000 3.096 125 K HA -0.177 4.143 4.320 0.001 0.000 0.266 125 K C 0.619 177.205 176.600 -0.024 0.000 1.043 125 K CA 1.147 57.422 56.287 -0.020 0.000 0.758 125 K CB -1.340 31.149 32.500 -0.019 0.000 1.260 125 K HN 0.469 nan 8.250 nan 0.000 0.481 126 T N -4.376 110.161 114.554 -0.028 0.000 3.044 126 T HA 0.250 4.601 4.350 0.001 0.000 0.250 126 T C 1.486 176.168 174.700 -0.029 0.000 1.081 126 T CA 0.729 62.809 62.100 -0.034 0.000 1.040 126 T CB 0.747 69.586 68.868 -0.048 0.000 0.962 126 T HN 0.685 nan 8.240 nan 0.000 0.506 127 G N 1.581 110.368 108.800 -0.021 0.000 2.176 127 G HA2 -0.230 3.730 3.960 0.001 0.000 0.253 127 G HA3 -0.230 3.730 3.960 0.001 0.000 0.253 127 G C 0.110 175.001 174.900 -0.016 0.000 0.979 127 G CA -0.078 45.012 45.100 -0.016 0.000 0.641 127 G HN 0.692 nan 8.290 nan 0.000 0.530 128 R N 0.128 120.614 120.500 -0.023 0.000 2.637 128 R HA 0.703 5.043 4.340 0.001 0.000 0.291 128 R C 0.127 176.427 176.300 -0.001 0.000 0.963 128 R CA -0.166 55.921 56.100 -0.022 0.000 0.901 128 R CB 1.794 32.055 30.300 -0.064 0.000 1.160 128 R HN 0.481 nan 8.270 nan 0.000 0.457 129 A N 2.745 125.587 122.820 0.037 0.000 2.404 129 A HA 0.162 4.482 4.320 0.001 0.000 0.273 129 A C -0.360 177.303 177.584 0.132 0.000 1.144 129 A CA -0.403 51.679 52.037 0.076 0.000 0.806 129 A CB 0.129 19.181 19.000 0.088 0.000 1.080 129 A HN 0.589 nan 8.150 nan 0.000 0.509 130 D N 1.433 121.899 120.400 0.111 0.000 2.354 130 D HA 0.325 4.965 4.640 0.001 0.000 0.247 130 D C 0.074 176.473 176.300 0.165 0.000 1.138 130 D CA 0.252 54.346 54.000 0.156 0.000 0.958 130 D CB 1.033 41.884 40.800 0.085 0.000 1.144 130 D HN 0.450 nan 8.370 nan 0.000 0.458 131 I N 0.955 121.605 120.570 0.134 0.000 2.371 131 I HA 0.121 4.292 4.170 0.001 0.000 0.290 131 I C -0.251 175.776 176.117 -0.149 0.000 1.028 131 I CA -0.483 60.756 61.300 -0.102 0.000 1.345 131 I CB 1.034 38.771 38.000 -0.437 0.000 1.407 131 I HN -0.120 nan 8.210 nan 0.000 0.501 132 V N 4.939 124.797 119.914 -0.092 0.000 2.531 132 V HA 0.763 4.884 4.120 0.001 0.000 0.301 132 V C 0.241 176.313 176.094 -0.036 0.000 1.034 132 V CA -0.566 61.739 62.300 0.008 0.000 0.865 132 V CB 1.523 33.436 31.823 0.149 0.000 0.995 132 V HN 0.890 nan 8.190 nan 0.000 0.424 133 G N 2.704 111.584 108.800 0.132 0.000 2.666 133 G HA2 0.678 4.638 3.960 0.001 0.000 0.303 133 G HA3 0.678 4.638 3.960 0.001 0.000 0.303 133 G C -1.256 173.925 174.900 0.468 0.000 1.412 133 G CA -0.494 44.824 45.100 0.363 0.000 0.979 133 G HN 0.458 nan 8.290 nan 0.000 0.507 134 F N 2.765 122.936 119.950 0.369 0.000 2.368 134 F HA 0.488 5.016 4.527 0.001 0.000 0.362 134 F C 1.216 177.226 175.800 0.350 0.000 1.137 134 F CA 0.035 58.196 58.000 0.267 0.000 1.161 134 F CB 1.553 40.598 39.000 0.075 0.000 1.265 134 F HN 0.591 nan 8.300 nan 0.000 0.530 135 G N 2.052 111.090 108.800 0.397 0.000 3.019 135 G HA2 0.104 4.065 3.960 0.001 0.000 0.152 135 G HA3 0.104 4.065 3.960 0.001 0.000 0.152 135 G C -0.012 174.907 174.900 0.033 0.000 1.320 135 G CA -0.187 44.763 45.100 -0.249 0.000 1.013 135 G HN 0.429 nan 8.290 nan 0.000 0.593 136 D N -0.996 119.342 120.400 -0.102 0.000 2.144 136 D HA 0.094 4.735 4.640 0.001 0.000 0.207 136 D C 2.427 178.837 176.300 0.183 0.000 0.970 136 D CA 1.221 55.283 54.000 0.103 0.000 0.853 136 D CB 0.018 40.800 40.800 -0.029 0.000 1.007 136 D HN 0.367 nan 8.370 nan 0.000 0.469 137 G N -1.414 107.521 108.800 0.225 0.000 2.880 137 G HA2 0.452 4.412 3.960 0.001 0.000 0.209 137 G HA3 0.452 4.412 3.960 0.001 0.000 0.209 137 G C 0.640 175.521 174.900 -0.033 0.000 1.157 137 G CA 0.523 45.696 45.100 0.121 0.000 0.779 137 G HN 0.541 nan 8.290 nan 0.000 0.539 138 G N -0.548 108.198 108.800 -0.090 0.000 2.403 138 G HA2 0.175 4.135 3.960 0.001 0.000 0.223 138 G HA3 0.175 4.135 3.960 0.001 0.000 0.223 138 G C -1.344 173.401 174.900 -0.259 0.000 1.287 138 G CA -0.850 44.141 45.100 -0.182 0.000 0.982 138 G HN 0.220 nan 8.290 nan 0.000 0.471 139 I N 1.253 121.628 120.570 -0.325 0.000 2.331 139 I HA 0.472 4.642 4.170 0.001 0.000 0.292 139 I C -0.864 175.070 176.117 -0.306 0.000 0.998 139 I CA -0.563 60.552 61.300 -0.308 0.000 1.267 139 I CB 1.061 38.828 38.000 -0.390 0.000 1.386 139 I HN 0.361 nan 8.210 nan 0.000 0.476 140 Y N 6.275 126.685 120.300 0.184 0.000 2.377 140 Y HA 0.633 5.183 4.550 0.001 0.000 0.339 140 Y C 0.023 176.125 175.900 0.337 0.000 1.011 140 Y CA -0.700 57.566 58.100 0.278 0.000 1.093 140 Y CB 1.515 40.181 38.460 0.344 0.000 1.201 140 Y HN 0.329 nan 8.280 nan 0.000 0.455 141 I N 1.769 122.592 120.570 0.421 0.000 2.509 141 I HA 0.332 4.503 4.170 0.001 0.000 0.293 141 I C -0.567 175.760 176.117 0.350 0.000 1.020 141 I CA -0.746 60.742 61.300 0.312 0.000 1.088 141 I CB 2.135 40.237 38.000 0.170 0.000 1.267 141 I HN 0.510 nan 8.210 nan 0.000 0.430 142 S N 6.289 122.183 115.700 0.322 0.000 2.438 142 S HA 0.446 4.917 4.470 0.001 0.000 0.316 142 S C -0.162 174.581 174.600 0.238 0.000 1.084 142 S CA -0.760 57.630 58.200 0.316 0.000 1.107 142 S CB 0.481 63.929 63.200 0.413 0.000 0.981 142 S HN 0.497 nan 8.310 nan 0.000 0.466 143 R N 3.660 124.244 120.500 0.139 0.000 2.449 143 R HA 0.096 4.436 4.340 0.001 0.000 0.296 143 R C 0.071 176.294 176.300 -0.128 0.000 1.047 143 R CA -0.227 55.886 56.100 0.023 0.000 1.018 143 R CB 0.167 30.460 30.300 -0.011 0.000 0.962 143 R HN 0.560 nan 8.270 nan 0.000 0.428 144 N N 2.893 121.417 118.700 -0.293 0.000 2.415 144 N HA -0.011 4.729 4.740 0.001 0.000 0.250 144 N C -0.331 174.916 175.510 -0.439 0.000 1.127 144 N CA 0.067 52.652 53.050 -0.775 0.000 0.945 144 N CB 0.481 38.599 38.487 -0.614 0.000 1.196 144 N HN 0.425 nan 8.380 nan 0.000 0.499 145 N N 2.381 120.842 118.700 -0.398 0.000 2.314 145 N HA 0.142 4.883 4.740 0.001 0.000 0.200 145 N C 0.593 175.991 175.510 -0.187 0.000 1.135 145 N CA 0.446 53.368 53.050 -0.214 0.000 0.835 145 N CB 0.044 38.447 38.487 -0.140 0.000 0.989 145 N HN 0.775 nan 8.380 nan 0.000 0.478 146 G N -0.428 108.225 108.800 -0.245 0.000 2.781 146 G HA2 0.046 4.006 3.960 0.001 0.000 0.683 146 G HA3 0.046 4.006 3.960 0.001 0.000 0.683 146 G C 0.527 175.359 174.900 -0.113 0.000 1.390 146 G CA -0.105 44.901 45.100 -0.158 0.000 0.850 146 G HN 0.557 nan 8.290 nan 0.000 0.557 147 G N -0.966 107.797 108.800 -0.061 0.000 2.321 147 G HA2 0.325 4.286 3.960 0.001 0.000 0.287 147 G HA3 0.325 4.286 3.960 0.001 0.000 0.287 147 G C 2.194 177.096 174.900 0.003 0.000 1.018 147 G CA 1.175 46.261 45.100 -0.023 0.000 0.855 147 G HN 3.106 nan 8.290 nan 0.000 0.507 148 G N -2.213 106.597 108.800 0.016 0.000 2.155 148 G HA2 -0.239 3.721 3.960 0.001 0.000 0.257 148 G HA3 -0.239 3.721 3.960 0.001 0.000 0.257 148 G C 0.239 175.229 174.900 0.150 0.000 0.983 148 G CA 0.854 46.029 45.100 0.126 0.000 0.676 148 G HN 1.094 nan 8.290 nan 0.000 0.528 149 Q N -0.293 119.494 119.800 -0.022 0.000 2.360 149 Q HA 0.614 4.954 4.340 0.001 0.000 0.254 149 Q C -0.417 175.503 176.000 -0.132 0.000 0.975 149 Q CA -0.135 55.664 55.803 -0.007 0.000 0.912 149 Q CB 0.611 29.325 28.738 -0.039 0.000 1.212 149 Q HN 0.354 nan 8.270 nan 0.000 0.452 150 F N 0.838 120.780 119.950 -0.012 0.000 2.436 150 F HA 0.560 5.088 4.527 0.001 0.000 0.340 150 F C 0.657 176.465 175.800 0.014 0.000 1.113 150 F CA -0.930 57.069 58.000 -0.001 0.000 1.022 150 F CB 1.455 40.450 39.000 -0.008 0.000 1.128 150 F HN 0.476 nan 8.300 nan 0.000 0.466 151 A N 4.540 127.451 122.820 0.151 0.000 2.304 151 A HA 0.614 4.935 4.320 0.001 0.000 0.271 151 A C -2.498 175.173 177.584 0.145 0.000 1.091 151 A CA -1.656 50.447 52.037 0.109 0.000 0.812 151 A CB -0.120 18.918 19.000 0.064 0.000 1.056 151 A HN 0.470 nan 8.150 nan 0.000 0.489 152 P HA 0.194 nan 4.420 nan 0.000 0.266 152 P C -0.202 177.180 177.300 0.136 0.000 1.193 152 P CA 0.518 63.676 63.100 0.098 0.000 0.770 152 P CB 0.422 32.158 31.700 0.060 0.000 0.836 153 A N 3.404 126.309 122.820 0.141 0.000 2.498 153 A HA 0.203 4.523 4.320 0.001 0.000 0.239 153 A C 0.065 177.772 177.584 0.204 0.000 1.068 153 A CA 0.330 52.494 52.037 0.211 0.000 0.766 153 A CB -0.176 18.860 19.000 0.060 0.000 1.003 153 A HN 0.445 nan 8.150 nan 0.000 0.497 154 Q N 0.463 120.418 119.800 0.260 0.000 2.397 154 Q HA 0.375 4.715 4.340 0.001 0.000 0.275 154 Q C -1.240 174.902 176.000 0.237 0.000 1.090 154 Q CA -1.018 54.913 55.803 0.214 0.000 0.809 154 Q CB 2.079 30.895 28.738 0.130 0.000 1.362 154 Q HN 0.687 nan 8.270 nan 0.000 0.431 155 L N 1.710 123.019 121.223 0.144 0.000 2.500 155 L HA 0.162 4.503 4.340 0.001 0.000 0.272 155 L C 0.863 177.723 176.870 -0.017 0.000 1.149 155 L CA 0.612 55.414 54.840 -0.063 0.000 0.897 155 L CB 0.484 42.479 42.059 -0.107 0.000 1.178 155 L HN 0.876 nan 8.230 nan 0.000 0.473 156 A N 5.256 128.069 122.820 -0.011 0.000 1.930 156 A HA 0.237 4.557 4.320 0.001 0.000 0.215 156 A C 0.317 177.973 177.584 0.121 0.000 1.176 156 A CA 0.780 52.863 52.037 0.076 0.000 0.632 156 A CB -0.078 19.038 19.000 0.194 0.000 0.819 156 A HN 0.601 nan 8.150 nan 0.000 0.445 157 L N -0.222 121.028 121.223 0.045 0.000 2.565 157 L HA 0.322 4.663 4.340 0.001 0.000 0.261 157 L C -1.336 175.499 176.870 -0.058 0.000 0.932 157 L CA -0.651 54.219 54.840 0.051 0.000 0.878 157 L CB 1.565 43.716 42.059 0.154 0.000 1.333 157 L HN 0.272 nan 8.230 nan 0.000 0.409 158 N N 2.626 121.295 118.700 -0.052 0.000 3.243 158 N HA 0.185 4.925 4.740 0.001 0.000 0.310 158 N C -0.646 174.809 175.510 -0.091 0.000 1.313 158 N CA -0.036 52.967 53.050 -0.078 0.000 1.204 158 N CB -0.492 37.965 38.487 -0.050 0.000 1.483 158 N HN 0.598 nan 8.380 nan 0.000 0.553 159 N N -0.003 118.630 118.700 -0.111 0.000 3.020 159 N HA 0.335 5.076 4.740 0.001 0.000 0.248 159 N C -0.714 174.652 175.510 -0.240 0.000 1.480 159 N CA -0.591 52.304 53.050 -0.258 0.000 0.874 159 N CB 0.539 38.745 38.487 -0.467 0.000 1.433 159 N HN 0.054 nan 8.380 nan 0.000 0.530 160 F N -2.010 117.627 119.950 -0.523 0.000 3.034 160 F HA -0.144 4.384 4.527 0.001 0.000 0.286 160 F C 0.858 176.409 175.800 -0.414 0.000 0.804 160 F CA 1.061 58.402 58.000 -1.099 0.000 1.161 160 F CB -1.714 36.903 39.000 -0.639 0.000 1.317 160 F HN 0.426 nan 8.300 nan 0.000 0.453 161 G N -1.976 106.829 108.800 0.009 0.000 2.537 161 G HA2 0.406 4.367 3.960 0.001 0.000 0.323 161 G HA3 0.406 4.367 3.960 0.001 0.000 0.323 161 G C 0.067 175.173 174.900 0.343 0.000 1.207 161 G CA -0.529 44.705 45.100 0.224 0.000 0.976 161 G HN 0.071 nan 8.290 nan 0.000 0.487 162 Y N 0.888 121.329 120.300 0.234 0.000 2.207 162 Y HA -0.127 4.424 4.550 0.001 0.000 0.287 162 Y C 2.860 178.849 175.900 0.149 0.000 1.156 162 Y CA 2.483 60.703 58.100 0.199 0.000 1.182 162 Y CB 0.037 38.585 38.460 0.147 0.000 0.979 162 Y HN 0.458 nan 8.280 nan 0.000 0.521 163 A N -0.521 122.444 122.820 0.243 0.000 2.019 163 A HA -0.210 4.111 4.320 0.001 0.000 0.219 163 A C 1.723 179.350 177.584 0.072 0.000 1.164 163 A CA 1.660 53.777 52.037 0.134 0.000 0.644 163 A CB -0.471 18.596 19.000 0.111 0.000 0.805 163 A HN 0.553 nan 8.150 nan 0.000 0.449 164 Q N -1.257 118.611 119.800 0.114 0.000 2.247 164 Q HA 0.393 4.733 4.340 0.001 0.000 0.205 164 Q C 0.968 176.995 176.000 0.044 0.000 0.896 164 Q CA 0.647 56.508 55.803 0.097 0.000 0.950 164 Q CB 0.136 28.948 28.738 0.123 0.000 1.054 164 Q HN 0.816 nan 8.270 nan 0.000 0.482 165 G N -0.942 107.836 108.800 -0.037 0.000 2.157 165 G HA2 -0.246 3.714 3.960 0.001 0.000 0.248 165 G HA3 -0.246 3.714 3.960 0.001 0.000 0.248 165 G C -0.563 174.194 174.900 -0.240 0.000 0.979 165 G CA -0.494 44.487 45.100 -0.198 0.000 0.650 165 G HN 0.329 nan 8.290 nan 0.000 0.529 166 W N 1.398 122.623 121.300 -0.124 0.000 2.303 166 W HA 0.718 5.379 4.660 0.001 0.000 0.318 166 W C 0.800 177.389 176.519 0.117 0.000 1.362 166 W CA -0.274 57.099 57.345 0.046 0.000 1.234 166 W CB 0.580 30.077 29.460 0.062 0.000 1.248 166 W HN -0.019 nan 8.180 nan 0.000 0.546 167 R N 3.769 124.560 120.500 0.486 0.000 2.575 167 R HA 0.282 4.622 4.340 0.001 0.000 0.293 167 R C 0.559 176.929 176.300 0.117 0.000 0.983 167 R CA -0.934 55.263 56.100 0.161 0.000 0.887 167 R CB 1.334 31.605 30.300 -0.049 0.000 1.184 167 R HN 0.600 nan 8.270 nan 0.000 0.445 168 L N 1.146 122.435 121.223 0.111 0.000 2.265 168 L HA -0.183 4.157 4.340 0.001 0.000 0.215 168 L C 1.353 178.230 176.870 0.012 0.000 1.117 168 L CA 1.414 56.295 54.840 0.069 0.000 0.782 168 L CB -0.153 41.942 42.059 0.060 0.000 0.914 168 L HN 0.610 nan 8.230 nan 0.000 0.441 169 D N -1.115 119.267 120.400 -0.029 0.000 2.339 169 D HA -0.068 4.572 4.640 0.001 0.000 0.217 169 D C 1.754 177.987 176.300 -0.112 0.000 1.050 169 D CA 0.300 54.270 54.000 -0.049 0.000 0.856 169 D CB 0.221 40.999 40.800 -0.036 0.000 0.922 169 D HN 0.249 nan 8.370 nan 0.000 0.518 170 R N -1.387 118.966 120.500 -0.245 0.000 2.573 170 R HA 0.226 4.566 4.340 0.001 0.000 0.224 170 R C 0.010 176.094 176.300 -0.359 0.000 0.904 170 R CA -0.052 55.786 56.100 -0.435 0.000 0.995 170 R CB 0.637 30.396 30.300 -0.901 0.000 1.430 170 R HN 0.238 nan 8.270 nan 0.000 0.631 171 H N -0.559 118.571 119.070 0.101 0.000 2.834 171 H HA 0.545 5.101 4.556 0.001 0.000 0.369 171 H C -1.083 174.388 175.328 0.239 0.000 1.174 171 H CA -0.889 55.273 56.048 0.189 0.000 1.165 171 H CB 2.341 32.204 29.762 0.169 0.000 1.820 171 H HN -0.185 nan 8.280 nan 0.000 0.558 172 L N 1.416 122.935 121.223 0.493 0.000 2.408 172 L HA 0.600 4.940 4.340 0.001 0.000 0.268 172 L C -0.631 176.442 176.870 0.339 0.000 0.986 172 L CA -0.631 54.367 54.840 0.262 0.000 0.820 172 L CB 2.190 44.321 42.059 0.120 0.000 1.303 172 L HN 0.446 nan 8.230 nan 0.000 0.411 173 R N 2.140 122.597 120.500 -0.071 0.000 2.621 173 R HA 0.742 5.082 4.340 0.001 0.000 0.292 173 R C -1.594 174.533 176.300 -0.288 0.000 0.969 173 R CA -0.460 55.531 56.100 -0.182 0.000 0.887 173 R CB 2.204 32.081 30.300 -0.705 0.000 1.180 173 R HN 0.311 nan 8.270 nan 0.000 0.450 174 F N 1.653 121.624 119.950 0.034 0.000 2.620 174 F HA 0.547 5.074 4.527 0.001 0.000 0.320 174 F C -0.439 175.420 175.800 0.098 0.000 1.069 174 F CA -1.040 57.019 58.000 0.098 0.000 0.953 174 F CB 1.627 40.685 39.000 0.097 0.000 1.322 174 F HN 0.046 nan 8.300 nan 0.000 0.479 175 L N 2.141 123.526 121.223 0.270 0.000 2.333 175 L HA 0.899 5.239 4.340 0.001 0.000 0.280 175 L C -0.691 176.262 176.870 0.139 0.000 1.004 175 L CA -0.666 54.284 54.840 0.184 0.000 0.820 175 L CB 1.644 43.801 42.059 0.165 0.000 1.247 175 L HN 0.765 nan 8.230 nan 0.000 0.416 176 A N 1.723 124.616 122.820 0.121 0.000 2.577 176 A HA 0.428 4.749 4.320 0.001 0.000 0.297 176 A C -1.666 175.969 177.584 0.086 0.000 1.060 176 A CA -0.641 51.448 52.037 0.087 0.000 0.697 176 A CB 1.667 20.705 19.000 0.064 0.000 1.281 176 A HN 0.619 nan 8.150 nan 0.000 0.402 177 D N 1.751 122.192 120.400 0.069 0.000 2.338 177 D HA 0.302 4.943 4.640 0.001 0.000 0.255 177 D C 1.038 177.375 176.300 0.061 0.000 1.237 177 D CA 0.683 54.721 54.000 0.065 0.000 0.883 177 D CB 1.122 41.949 40.800 0.046 0.000 1.087 177 D HN 0.866 nan 8.370 nan 0.000 0.485 178 V N 1.583 121.543 119.914 0.077 0.000 3.578 178 V HA 0.165 4.285 4.120 0.001 0.000 0.290 178 V C 1.273 177.379 176.094 0.019 0.000 1.376 178 V CA 0.860 63.206 62.300 0.075 0.000 1.083 178 V CB -0.161 31.770 31.823 0.181 0.000 0.911 178 V HN 0.624 nan 8.190 nan 0.000 0.433 179 T N -4.379 110.190 114.554 0.024 0.000 2.964 179 T HA 0.482 4.832 4.350 0.001 0.000 0.249 179 T C 1.697 176.395 174.700 -0.005 0.000 1.000 179 T CA 1.146 63.249 62.100 0.005 0.000 0.992 179 T CB 0.707 69.590 68.868 0.025 0.000 1.087 179 T HN 1.510 nan 8.240 nan 0.000 0.489 180 G N 2.530 111.332 108.800 0.003 0.000 2.179 180 G HA2 -0.228 3.733 3.960 0.001 0.000 0.220 180 G HA3 -0.228 3.733 3.960 0.001 0.000 0.220 180 G C 0.486 175.387 174.900 0.002 0.000 0.990 180 G CA 0.506 45.604 45.100 -0.002 0.000 0.646 180 G HN 0.709 nan 8.290 nan 0.000 0.517 181 D N 0.381 120.786 120.400 0.008 0.000 2.349 181 D HA 0.357 4.997 4.640 0.001 0.000 0.224 181 D C 1.919 178.224 176.300 0.008 0.000 1.029 181 D CA 0.951 54.955 54.000 0.007 0.000 0.879 181 D CB -0.574 40.230 40.800 0.007 0.000 0.906 181 D HN 1.619 nan 8.370 nan 0.000 0.528 182 G N -0.015 108.793 108.800 0.013 0.000 2.199 182 G HA2 -0.269 3.692 3.960 0.001 0.000 0.254 182 G HA3 -0.269 3.692 3.960 0.001 0.000 0.254 182 G C 0.073 174.985 174.900 0.020 0.000 0.982 182 G CA 0.270 45.378 45.100 0.015 0.000 0.632 182 G HN 0.413 nan 8.290 nan 0.000 0.529 183 L N 1.196 122.433 121.223 0.024 0.000 2.326 183 L HA 0.500 4.841 4.340 0.001 0.000 0.278 183 L C 1.055 177.964 176.870 0.065 0.000 1.092 183 L CA -0.856 54.003 54.840 0.031 0.000 0.810 183 L CB 1.116 43.185 42.059 0.017 0.000 1.153 183 L HN 0.046 nan 8.230 nan 0.000 0.439 184 L N 3.737 125.012 121.223 0.086 0.000 2.361 184 L HA 0.164 4.504 4.340 0.001 0.000 0.278 184 L C -0.044 176.959 176.870 0.221 0.000 1.113 184 L CA -0.191 54.727 54.840 0.130 0.000 0.849 184 L CB 0.231 42.368 42.059 0.130 0.000 1.155 184 L HN 0.571 nan 8.230 nan 0.000 0.452 185 D N 2.263 122.779 120.400 0.194 0.000 2.387 185 D HA 0.341 4.981 4.640 0.001 0.000 0.255 185 D C -0.237 176.115 176.300 0.086 0.000 1.081 185 D CA -0.438 53.696 54.000 0.223 0.000 0.994 185 D CB 2.274 43.170 40.800 0.160 0.000 1.127 185 D HN 0.064 nan 8.370 nan 0.000 0.513 186 V N 1.081 120.921 119.914 -0.124 0.000 2.498 186 V HA 0.207 4.327 4.120 0.001 0.000 0.279 186 V C 0.258 176.232 176.094 -0.200 0.000 1.048 186 V CA -0.492 61.600 62.300 -0.346 0.000 0.967 186 V CB 1.422 32.691 31.823 -0.924 0.000 0.988 186 V HN 0.220 nan 8.190 nan 0.000 0.473 187 V N 3.819 123.686 119.914 -0.078 0.000 2.409 187 V HA 0.802 4.922 4.120 0.001 0.000 0.291 187 V C 0.504 176.675 176.094 0.128 0.000 1.020 187 V CA -0.296 62.002 62.300 -0.003 0.000 0.848 187 V CB 1.654 33.476 31.823 -0.002 0.000 0.990 187 V HN 0.990 nan 8.190 nan 0.000 0.430 188 G N 3.321 112.237 108.800 0.192 0.000 2.626 188 G HA2 0.660 4.621 3.960 0.001 0.000 0.304 188 G HA3 0.660 4.621 3.960 0.001 0.000 0.304 188 G C -1.165 174.131 174.900 0.659 0.000 1.385 188 G CA -0.425 44.983 45.100 0.513 0.000 0.957 188 G HN 0.475 nan 8.290 nan 0.000 0.504 189 F N 2.868 123.184 119.950 0.609 0.000 2.335 189 F HA 0.469 4.997 4.527 0.001 0.000 0.365 189 F C 1.255 177.285 175.800 0.383 0.000 1.122 189 F CA -0.259 57.984 58.000 0.406 0.000 1.151 189 F CB 1.593 40.766 39.000 0.288 0.000 1.282 189 F HN 0.576 nan 8.300 nan 0.000 0.513 190 G N 1.765 110.733 108.800 0.279 0.000 2.641 190 G HA2 0.132 4.092 3.960 0.001 0.000 0.239 190 G HA3 0.132 4.092 3.960 0.001 0.000 0.239 190 G C 0.648 175.452 174.900 -0.160 0.000 1.402 190 G CA -0.208 44.610 45.100 -0.470 0.000 1.046 190 G HN 0.479 nan 8.290 nan 0.000 0.565 191 E N 0.016 120.000 120.200 -0.360 0.000 2.031 191 E HA -0.154 4.197 4.350 0.001 0.000 0.193 191 E C 1.765 178.387 176.600 0.036 0.000 0.994 191 E CA 2.073 58.462 56.400 -0.019 0.000 0.800 191 E CB 0.076 29.724 29.700 -0.088 0.000 0.752 191 E HN 0.538 nan 8.360 nan 0.000 0.447 192 N N -1.007 117.695 118.700 0.003 0.000 2.143 192 N HA 0.042 4.782 4.740 0.001 0.000 0.229 192 N C -0.775 174.706 175.510 -0.049 0.000 1.294 192 N CA -0.070 52.982 53.050 0.002 0.000 0.883 192 N CB 0.530 39.015 38.487 -0.005 0.000 1.148 192 N HN 0.070 nan 8.380 nan 0.000 0.511 193 Q N 0.137 119.883 119.800 -0.091 0.000 2.416 193 Q HA 0.469 4.809 4.340 0.001 0.000 0.281 193 Q C -1.193 174.660 176.000 -0.245 0.000 1.067 193 Q CA -1.011 54.632 55.803 -0.267 0.000 0.809 193 Q CB 3.230 31.615 28.738 -0.588 0.000 1.418 193 Q HN -0.095 nan 8.270 nan 0.000 0.411 194 V N 2.111 121.839 119.914 -0.310 0.000 2.488 194 V HA 0.247 4.368 4.120 0.001 0.000 0.277 194 V C -0.894 174.994 176.094 -0.343 0.000 1.046 194 V CA -0.008 62.068 62.300 -0.374 0.000 0.986 194 V CB -0.325 31.086 31.823 -0.687 0.000 0.989 194 V HN 0.564 nan 8.190 nan 0.000 0.475 195 Y N 4.617 124.925 120.300 0.013 0.000 2.509 195 Y HA 0.755 5.305 4.550 0.001 0.000 0.341 195 Y C 0.202 176.174 175.900 0.120 0.000 1.038 195 Y CA -0.987 57.192 58.100 0.131 0.000 1.089 195 Y CB 1.941 40.591 38.460 0.317 0.000 1.241 195 Y HN 0.665 nan 8.280 nan 0.000 0.468 196 I N 0.056 120.803 120.570 0.296 0.000 2.740 196 I HA 1.023 5.193 4.170 0.001 0.000 0.303 196 I C -1.026 175.253 176.117 0.270 0.000 1.044 196 I CA -1.018 60.406 61.300 0.208 0.000 1.064 196 I CB 2.337 40.432 38.000 0.158 0.000 1.249 196 I HN 0.562 nan 8.210 nan 0.000 0.433 197 A N 4.231 127.149 122.820 0.163 0.000 2.353 197 A HA 0.684 5.004 4.320 0.001 0.000 0.299 197 A C -0.534 177.188 177.584 0.230 0.000 1.089 197 A CA -0.780 51.378 52.037 0.201 0.000 0.736 197 A CB 0.866 19.988 19.000 0.203 0.000 1.195 197 A HN 0.778 nan 8.150 nan 0.000 0.447 198 R N 2.209 122.853 120.500 0.239 0.000 2.401 198 R HA 0.120 4.460 4.340 0.001 0.000 0.299 198 R C -0.014 176.453 176.300 0.277 0.000 1.064 198 R CA -0.437 55.795 56.100 0.219 0.000 1.000 198 R CB 0.498 30.881 30.300 0.138 0.000 0.973 198 R HN 0.709 nan 8.270 nan 0.000 0.438 199 N N 1.000 119.856 118.700 0.260 0.000 2.452 199 N HA -0.028 4.713 4.740 0.001 0.000 0.266 199 N C -0.032 175.441 175.510 -0.063 0.000 1.175 199 N CA 0.396 53.448 53.050 0.004 0.000 0.945 199 N CB 1.068 39.560 38.487 0.009 0.000 1.063 199 N HN 0.411 nan 8.380 nan 0.000 0.472 200 S N 2.226 117.842 115.700 -0.139 0.000 2.527 200 S HA 0.128 4.598 4.470 0.001 0.000 0.222 200 S C 1.275 175.818 174.600 -0.094 0.000 0.985 200 S CA 0.510 58.660 58.200 -0.083 0.000 0.921 200 S CB -0.119 63.041 63.200 -0.067 0.000 0.772 200 S HN 0.891 nan 8.310 nan 0.000 0.529 201 G N 2.528 111.242 108.800 -0.145 0.000 2.157 201 G HA2 -0.258 3.703 3.960 0.001 0.000 0.239 201 G HA3 -0.258 3.703 3.960 0.001 0.000 0.239 201 G C 0.253 175.089 174.900 -0.106 0.000 0.982 201 G CA 0.287 45.321 45.100 -0.110 0.000 0.650 201 G HN 0.656 nan 8.290 nan 0.000 0.527 202 N N -0.371 118.254 118.700 -0.125 0.000 2.291 202 N HA 0.465 5.206 4.740 0.001 0.000 0.244 202 N C 1.347 176.792 175.510 -0.107 0.000 1.216 202 N CA 0.415 53.408 53.050 -0.094 0.000 0.879 202 N CB 0.239 38.685 38.487 -0.068 0.000 1.167 202 N HN 1.536 nan 8.380 nan 0.000 0.515 203 G N -0.412 108.290 108.800 -0.164 0.000 2.141 203 G HA2 -0.259 3.702 3.960 0.001 0.000 0.242 203 G HA3 -0.259 3.702 3.960 0.001 0.000 0.242 203 G C -0.000 174.789 174.900 -0.185 0.000 0.982 203 G CA 0.561 45.569 45.100 -0.152 0.000 0.662 203 G HN 0.947 nan 8.290 nan 0.000 0.527 204 T N -1.917 112.480 114.554 -0.261 0.000 2.916 204 T HA 0.791 5.141 4.350 0.001 0.000 0.292 204 T C -0.467 173.996 174.700 -0.396 0.000 1.055 204 T CA -1.001 60.974 62.100 -0.210 0.000 1.009 204 T CB 2.323 71.152 68.868 -0.064 0.000 1.118 204 T HN 0.443 nan 8.240 nan 0.000 0.497 205 F N 0.653 120.604 119.950 0.001 0.000 2.507 205 F HA 0.515 5.042 4.527 0.001 0.000 0.327 205 F C 0.956 176.776 175.800 0.033 0.000 1.068 205 F CA -1.110 56.901 58.000 0.018 0.000 0.965 205 F CB 1.750 40.763 39.000 0.020 0.000 1.192 205 F HN 0.541 nan 8.300 nan 0.000 0.476 206 Q N 1.855 121.796 119.800 0.236 0.000 2.368 206 Q HA 0.265 4.606 4.340 0.001 0.000 0.237 206 Q C -2.348 173.753 176.000 0.169 0.000 0.987 206 Q CA -1.886 54.011 55.803 0.156 0.000 0.896 206 Q CB 0.112 28.925 28.738 0.124 0.000 1.241 206 Q HN 0.226 nan 8.270 nan 0.000 0.485 207 P HA -0.091 nan 4.420 nan 0.000 0.265 207 P C -1.129 176.254 177.300 0.139 0.000 1.187 207 P CA 0.318 63.480 63.100 0.104 0.000 0.766 207 P CB 0.371 32.115 31.700 0.073 0.000 0.820 208 A N 3.801 126.697 122.820 0.127 0.000 2.498 208 A HA 0.150 4.470 4.320 0.001 0.000 0.239 208 A C -0.024 177.709 177.584 0.248 0.000 1.068 208 A CA 0.227 52.387 52.037 0.205 0.000 0.766 208 A CB -0.210 18.785 19.000 -0.009 0.000 1.003 208 A HN 0.562 nan 8.150 nan 0.000 0.497 209 Q N 0.655 120.642 119.800 0.312 0.000 2.321 209 Q HA 0.556 4.896 4.340 0.001 0.000 0.270 209 Q C -0.421 175.707 176.000 0.212 0.000 1.032 209 Q CA -0.613 55.332 55.803 0.236 0.000 0.784 209 Q CB 2.171 31.006 28.738 0.160 0.000 1.264 209 Q HN 0.920 nan 8.270 nan 0.000 0.448 210 A N 1.775 124.630 122.820 0.058 0.000 2.450 210 A HA 0.367 4.688 4.320 0.001 0.000 0.255 210 A C 0.818 178.324 177.584 -0.131 0.000 1.096 210 A CA -0.210 51.656 52.037 -0.285 0.000 0.778 210 A CB 0.186 18.951 19.000 -0.391 0.000 1.031 210 A HN 0.732 nan 8.150 nan 0.000 0.494 211 V N 0.677 120.491 119.914 -0.166 0.000 3.473 211 V HA 0.372 4.492 4.120 0.001 0.000 0.253 211 V C 0.117 176.168 176.094 -0.072 0.000 1.340 211 V CA 0.212 62.483 62.300 -0.047 0.000 1.103 211 V CB -0.404 31.453 31.823 0.057 0.000 0.881 211 V HN 0.529 nan 8.190 nan 0.000 0.451 212 V N 1.806 121.615 119.914 -0.175 0.000 2.733 212 V HA 0.422 4.542 4.120 0.001 0.000 0.306 212 V C -0.674 175.339 176.094 -0.136 0.000 1.084 212 V CA -0.401 61.827 62.300 -0.119 0.000 0.905 212 V CB 1.653 33.415 31.823 -0.101 0.000 1.010 212 V HN 0.450 nan 8.190 nan 0.000 0.424 213 N N 4.475 123.119 118.700 -0.094 0.000 3.322 213 N HA 0.244 4.985 4.740 0.001 0.000 0.290 213 N C -0.524 174.933 175.510 -0.088 0.000 1.297 213 N CA 0.039 53.035 53.050 -0.091 0.000 1.167 213 N CB 0.142 38.587 38.487 -0.070 0.000 1.434 213 N HN 0.776 nan 8.380 nan 0.000 0.526 214 N N 0.346 118.984 118.700 -0.103 0.000 3.356 214 N HA 0.144 4.884 4.740 0.001 0.000 0.246 214 N C -0.644 174.747 175.510 -0.198 0.000 1.480 214 N CA -0.276 52.650 53.050 -0.207 0.000 0.877 214 N CB 0.377 38.621 38.487 -0.406 0.000 1.431 214 N HN 0.133 nan 8.380 nan 0.000 0.500 215 F N -1.651 117.958 119.950 -0.568 0.000 3.006 215 F HA -0.274 4.253 4.527 0.001 0.000 0.289 215 F C 0.146 175.741 175.800 -0.341 0.000 0.772 215 F CA 0.170 57.487 58.000 -1.137 0.000 1.162 215 F CB -1.885 36.791 39.000 -0.540 0.000 1.382 215 F HN 0.295 nan 8.300 nan 0.000 0.406 216 C N -0.268 119.101 119.300 0.115 0.000 2.779 216 C HA 0.544 5.004 4.460 0.001 0.000 0.314 216 C C 2.099 177.277 174.990 0.314 0.000 1.231 216 C CA -0.782 58.399 59.018 0.271 0.000 1.652 216 C CB 1.312 29.161 27.740 0.182 0.000 2.198 216 C HN 0.447 nan 8.230 nan 0.000 0.483 217 I N 1.453 122.182 120.570 0.265 0.000 2.194 217 I HA -0.137 4.033 4.170 0.001 0.000 0.246 217 I C 1.837 178.036 176.117 0.137 0.000 1.093 217 I CA 2.383 63.799 61.300 0.193 0.000 1.355 217 I CB -0.025 38.040 38.000 0.108 0.000 1.046 217 I HN 0.921 nan 8.210 nan 0.000 0.413 218 G N -0.197 108.672 108.800 0.114 0.000 3.434 218 G HA2 0.530 4.490 3.960 0.001 0.000 0.258 218 G HA3 0.530 4.490 3.960 0.001 0.000 0.258 218 G C 0.077 175.013 174.900 0.061 0.000 1.128 218 G CA 0.433 45.575 45.100 0.070 0.000 0.792 218 G HN 0.458 nan 8.290 nan 0.000 0.539 219 A N -0.405 122.471 122.820 0.094 0.000 2.855 219 A HA 0.618 4.938 4.320 0.001 0.000 0.313 219 A C 0.920 178.583 177.584 0.132 0.000 1.173 219 A CA 0.293 52.368 52.037 0.063 0.000 0.753 219 A CB 0.084 19.094 19.000 0.017 0.000 1.200 219 A HN 1.453 nan 8.150 nan 0.000 0.442 220 G N 0.543 109.405 108.800 0.102 0.000 2.159 220 G HA2 0.190 4.150 3.960 0.001 0.000 0.227 220 G HA3 0.190 4.150 3.960 0.001 0.000 0.227 220 G C 1.546 176.449 174.900 0.005 0.000 0.986 220 G CA 0.784 45.941 45.100 0.096 0.000 0.651 220 G HN 2.626 nan 8.290 nan 0.000 0.523 221 G N -1.302 107.544 108.800 0.076 0.000 2.246 221 G HA2 -0.239 3.721 3.960 0.001 0.000 0.273 221 G HA3 -0.239 3.721 3.960 0.001 0.000 0.273 221 G C 0.233 175.118 174.900 -0.025 0.000 1.055 221 G CA 0.509 45.612 45.100 0.006 0.000 0.851 221 G HN 1.173 nan 8.290 nan 0.000 0.500 222 W N 0.925 122.241 121.300 0.027 0.000 2.388 222 W HA 0.545 5.206 4.660 0.001 0.000 0.308 222 W C 1.087 177.766 176.519 0.267 0.000 1.263 222 W CA 0.264 57.703 57.345 0.157 0.000 1.286 222 W CB 0.871 30.413 29.460 0.137 0.000 1.294 222 W HN 0.441 nan 8.180 nan 0.000 0.493 223 T N 1.187 116.092 114.554 0.584 0.000 2.888 223 T HA 0.339 4.690 4.350 0.001 0.000 0.284 223 T C 0.984 175.788 174.700 0.174 0.000 1.017 223 T CA -0.851 61.398 62.100 0.248 0.000 1.022 223 T CB 1.386 70.303 68.868 0.083 0.000 1.013 223 T HN 0.229 nan 8.240 nan 0.000 0.465 224 I N 2.249 122.882 120.570 0.105 0.000 2.264 224 I HA -0.147 4.024 4.170 0.001 0.000 0.248 224 I C 2.755 178.891 176.117 0.032 0.000 1.111 224 I CA 1.861 63.207 61.300 0.076 0.000 1.382 224 I CB -1.521 36.502 38.000 0.040 0.000 1.060 224 I HN 0.926 nan 8.210 nan 0.000 0.418 225 S N 0.418 116.109 115.700 -0.015 0.000 2.489 225 S HA 0.150 4.620 4.470 0.001 0.000 0.228 225 S C 1.792 176.331 174.600 -0.101 0.000 0.995 225 S CA 0.620 58.794 58.200 -0.045 0.000 0.934 225 S CB 0.056 63.228 63.200 -0.047 0.000 0.771 225 S HN 0.389 nan 8.310 nan 0.000 0.522 226 A N 0.473 123.148 122.820 -0.242 0.000 2.226 226 A HA 0.394 4.714 4.320 0.001 0.000 0.207 226 A C 0.245 177.603 177.584 -0.376 0.000 1.293 226 A CA -0.229 51.544 52.037 -0.441 0.000 0.968 226 A CB 0.150 18.665 19.000 -0.808 0.000 1.044 226 A HN 0.643 nan 8.150 nan 0.000 0.493 227 H N 0.617 119.785 119.070 0.164 0.000 2.448 227 H HA 0.343 4.899 4.556 0.001 0.000 0.237 227 H C -2.954 172.632 175.328 0.431 0.000 1.391 227 H CA -2.028 54.187 56.048 0.278 0.000 1.477 227 H CB 0.675 30.540 29.762 0.172 0.000 1.520 227 H HN 0.190 nan 8.280 nan 0.000 0.502 228 P HA 0.145 nan 4.420 nan 0.000 0.271 228 P C -0.158 177.418 177.300 0.461 0.000 1.218 228 P CA -0.221 63.112 63.100 0.388 0.000 0.780 228 P CB 1.248 33.129 31.700 0.302 0.000 0.901 229 R N 0.729 121.350 120.500 0.203 0.000 2.744 229 R HA 0.702 5.042 4.340 0.001 0.000 0.279 229 R C -0.500 175.791 176.300 -0.015 0.000 0.977 229 R CA -0.981 55.081 56.100 -0.065 0.000 0.906 229 R CB 2.125 32.079 30.300 -0.576 0.000 1.197 229 R HN 0.369 nan 8.270 nan 0.000 0.463 230 V N -1.561 118.268 119.914 -0.142 0.000 3.160 230 V HA 0.788 4.908 4.120 0.001 0.000 0.310 230 V C -1.085 174.767 176.094 -0.402 0.000 1.181 230 V CA -0.831 61.386 62.300 -0.138 0.000 1.047 230 V CB 2.367 34.225 31.823 0.059 0.000 1.068 230 V HN 0.394 nan 8.190 nan 0.000 0.441 231 V N 1.255 120.888 119.914 -0.467 0.000 2.531 231 V HA 0.997 5.117 4.120 0.001 0.000 0.301 231 V C 0.168 176.178 176.094 -0.140 0.000 1.034 231 V CA 0.441 62.521 62.300 -0.368 0.000 0.865 231 V CB 1.142 32.619 31.823 -0.577 0.000 0.995 231 V HN 1.708 nan 8.190 nan 0.000 0.424 232 A N 3.191 125.972 122.820 -0.064 0.000 2.597 232 A HA 0.636 4.957 4.320 0.001 0.000 0.292 232 A C -1.501 176.093 177.584 0.015 0.000 1.057 232 A CA -0.639 51.396 52.037 -0.003 0.000 0.674 232 A CB 1.558 20.570 19.000 0.020 0.000 1.278 232 A HN 0.722 nan 8.150 nan 0.000 0.416 233 D N 1.231 121.645 120.400 0.023 0.000 2.338 233 D HA 0.368 5.009 4.640 0.001 0.000 0.255 233 D C 0.531 176.845 176.300 0.023 0.000 1.237 233 D CA 0.075 54.087 54.000 0.019 0.000 0.883 233 D CB 0.296 41.104 40.800 0.013 0.000 1.087 233 D HN 0.377 nan 8.370 nan 0.000 0.485 234 L N 2.865 124.101 121.223 0.020 0.000 2.607 234 L HA 0.095 4.436 4.340 0.001 0.000 0.228 234 L C 1.738 178.588 176.870 -0.033 0.000 1.123 234 L CA 0.564 55.412 54.840 0.013 0.000 0.890 234 L CB 0.024 42.107 42.059 0.040 0.000 1.103 234 L HN 0.512 nan 8.230 nan 0.000 0.468 235 T N -5.835 108.702 114.554 -0.028 0.000 2.986 235 T HA 0.276 4.627 4.350 0.001 0.000 0.264 235 T C 1.348 176.028 174.700 -0.034 0.000 0.964 235 T CA 0.571 62.647 62.100 -0.041 0.000 0.895 235 T CB 1.112 69.956 68.868 -0.041 0.000 1.163 235 T HN 0.249 nan 8.240 nan 0.000 0.517 236 G N 2.817 111.603 108.800 -0.022 0.000 2.175 236 G HA2 -0.248 3.713 3.960 0.001 0.000 0.244 236 G HA3 -0.248 3.713 3.960 0.001 0.000 0.244 236 G C 0.424 175.314 174.900 -0.017 0.000 0.982 236 G CA 0.461 45.551 45.100 -0.017 0.000 0.641 236 G HN 0.745 nan 8.290 nan 0.000 0.527 237 D N 0.109 120.496 120.400 -0.021 0.000 2.328 237 D HA 0.155 4.795 4.640 0.001 0.000 0.226 237 D C 1.451 177.741 176.300 -0.016 0.000 1.066 237 D CA 0.239 54.226 54.000 -0.022 0.000 0.861 237 D CB -0.359 40.422 40.800 -0.031 0.000 0.912 237 D HN 0.621 nan 8.370 nan 0.000 0.521 238 R N -1.081 119.413 120.500 -0.010 0.000 3.989 238 R HA -0.173 4.167 4.340 0.001 0.000 0.377 238 R C -0.513 175.786 176.300 -0.001 0.000 1.158 238 R CA 0.933 57.032 56.100 -0.002 0.000 1.035 238 R CB -2.201 28.099 30.300 -0.000 0.000 1.557 238 R HN 0.327 nan 8.270 nan 0.000 0.551 239 K N 1.074 121.468 120.400 -0.011 0.000 2.185 239 K HA 0.624 4.944 4.320 0.001 0.000 0.269 239 K C 0.074 176.673 176.600 -0.002 0.000 0.987 239 K CA -0.025 56.253 56.287 -0.014 0.000 0.865 239 K CB 1.825 34.296 32.500 -0.049 0.000 1.090 239 K HN 0.191 nan 8.250 nan 0.000 0.450 240 A N 3.396 126.234 122.820 0.030 0.000 2.440 240 A HA 0.135 4.455 4.320 0.001 0.000 0.251 240 A C -0.363 177.292 177.584 0.119 0.000 1.089 240 A CA -0.190 51.879 52.037 0.054 0.000 0.779 240 A CB 0.206 19.235 19.000 0.049 0.000 1.022 240 A HN 0.698 nan 8.150 nan 0.000 0.492 241 D N 0.636 121.097 120.400 0.102 0.000 2.442 241 D HA 0.546 5.186 4.640 0.001 0.000 0.254 241 D C -0.482 175.854 176.300 0.061 0.000 1.069 241 D CA -0.067 54.041 54.000 0.180 0.000 1.017 241 D CB 1.421 42.280 40.800 0.098 0.000 1.172 241 D HN 0.419 nan 8.370 nan 0.000 0.561 242 I N 0.970 121.540 120.570 -0.000 0.000 2.377 242 I HA 0.366 4.537 4.170 0.001 0.000 0.293 242 I C -0.506 175.443 176.117 -0.279 0.000 0.987 242 I CA -0.648 60.490 61.300 -0.269 0.000 1.185 242 I CB 1.777 39.446 38.000 -0.552 0.000 1.341 242 I HN -0.007 nan 8.210 nan 0.000 0.455 243 L N 5.405 126.426 121.223 -0.337 0.000 2.409 243 L HA 0.838 5.179 4.340 0.001 0.000 0.272 243 L C -0.560 176.097 176.870 -0.355 0.000 0.980 243 L CA -0.110 54.565 54.840 -0.275 0.000 0.826 243 L CB 1.822 43.742 42.059 -0.232 0.000 1.268 243 L HN 0.685 nan 8.230 nan 0.000 0.407 244 G N 2.950 111.664 108.800 -0.143 0.000 2.542 244 G HA2 0.546 4.507 3.960 0.001 0.000 0.311 244 G HA3 0.546 4.507 3.960 0.001 0.000 0.311 244 G C -1.506 173.546 174.900 0.254 0.000 1.298 244 G CA -0.438 44.718 45.100 0.093 0.000 0.973 244 G HN 0.380 nan 8.290 nan 0.000 0.487 245 F N 2.358 122.638 119.950 0.551 0.000 2.377 245 F HA 0.478 5.005 4.527 0.001 0.000 0.360 245 F C 1.177 177.236 175.800 0.431 0.000 1.147 245 F CA -0.206 58.030 58.000 0.394 0.000 1.170 245 F CB 1.274 40.400 39.000 0.211 0.000 1.339 245 F HN 0.571 nan 8.300 nan 0.000 0.552 246 G N 1.303 110.341 108.800 0.396 0.000 2.641 246 G HA2 0.364 4.324 3.960 0.001 0.000 0.239 246 G HA3 0.364 4.324 3.960 0.001 0.000 0.239 246 G C 0.822 175.705 174.900 -0.028 0.000 1.402 246 G CA -0.498 44.420 45.100 -0.303 0.000 1.046 246 G HN 0.259 nan 8.290 nan 0.000 0.565 247 V N 0.721 120.519 119.914 -0.193 0.000 2.302 247 V HA -0.006 4.115 4.120 0.001 0.000 0.243 247 V C 3.196 179.338 176.094 0.080 0.000 1.036 247 V CA 2.311 64.604 62.300 -0.011 0.000 1.020 247 V CB -0.767 31.003 31.823 -0.088 0.000 0.657 247 V HN 0.720 nan 8.190 nan 0.000 0.453 248 A N -1.196 121.692 122.820 0.114 0.000 2.016 248 A HA 0.453 4.774 4.320 0.001 0.000 0.217 248 A C 1.343 178.957 177.584 0.050 0.000 1.162 248 A CA 1.683 53.769 52.037 0.081 0.000 0.662 248 A CB -0.237 18.808 19.000 0.075 0.000 0.812 248 A HN 0.823 nan 8.150 nan 0.000 0.450 249 G N -2.293 106.559 108.800 0.086 0.000 2.534 249 G HA2 0.307 4.267 3.960 0.001 0.000 0.142 249 G HA3 0.307 4.267 3.960 0.001 0.000 0.142 249 G C -1.205 173.745 174.900 0.084 0.000 1.178 249 G CA -0.027 45.110 45.100 0.062 0.000 1.037 249 G HN 0.469 nan 8.290 nan 0.000 0.474 250 V N 1.407 121.297 119.914 -0.041 0.000 2.432 250 V HA 0.580 4.701 4.120 0.001 0.000 0.275 250 V C -0.873 175.147 176.094 -0.124 0.000 1.043 250 V CA -0.168 62.084 62.300 -0.079 0.000 0.925 250 V CB 0.454 32.138 31.823 -0.230 0.000 0.985 250 V HN 0.491 nan 8.190 nan 0.000 0.466 251 Y N 2.583 122.983 120.300 0.165 0.000 2.377 251 Y HA 0.638 5.188 4.550 0.001 0.000 0.339 251 Y C 0.705 176.786 175.900 0.303 0.000 1.011 251 Y CA -0.637 57.613 58.100 0.250 0.000 1.093 251 Y CB 2.272 40.933 38.460 0.335 0.000 1.201 251 Y HN 0.714 nan 8.280 nan 0.000 0.455 252 T N -1.288 113.517 114.554 0.417 0.000 2.916 252 T HA 0.672 5.022 4.350 0.001 0.000 0.292 252 T C -0.757 174.178 174.700 0.393 0.000 1.055 252 T CA -1.012 61.288 62.100 0.333 0.000 1.009 252 T CB 1.799 70.790 68.868 0.206 0.000 1.118 252 T HN 0.495 nan 8.240 nan 0.000 0.497 253 S N 1.593 117.479 115.700 0.309 0.000 2.707 253 S HA 0.554 5.024 4.470 0.001 0.000 0.303 253 S C -0.775 174.001 174.600 0.293 0.000 1.132 253 S CA -0.886 57.496 58.200 0.303 0.000 1.046 253 S CB 0.047 63.459 63.200 0.354 0.000 1.004 253 S HN 0.708 nan 8.310 nan 0.000 0.483 254 L N 4.345 125.693 121.223 0.209 0.000 2.305 254 L HA 0.422 4.762 4.340 0.001 0.000 0.281 254 L C 0.888 177.748 176.870 -0.017 0.000 1.085 254 L CA -0.867 54.041 54.840 0.114 0.000 0.813 254 L CB 0.612 42.699 42.059 0.045 0.000 1.157 254 L HN 0.643 nan 8.230 nan 0.000 0.436 255 N N 2.540 121.096 118.700 -0.239 0.000 2.454 255 N HA -0.070 4.671 4.740 0.001 0.000 0.260 255 N C 0.618 175.903 175.510 -0.376 0.000 1.218 255 N CA 0.205 52.812 53.050 -0.737 0.000 0.904 255 N CB 0.706 38.839 38.487 -0.590 0.000 1.065 255 N HN 0.516 nan 8.380 nan 0.000 0.462 256 N N 2.556 121.038 118.700 -0.364 0.000 2.520 256 N HA -0.032 4.708 4.740 0.001 0.000 0.185 256 N C 1.061 176.478 175.510 -0.155 0.000 1.068 256 N CA 1.083 54.021 53.050 -0.187 0.000 0.911 256 N CB 0.093 38.498 38.487 -0.136 0.000 0.961 256 N HN 0.823 nan 8.380 nan 0.000 0.446 257 G N 0.766 109.448 108.800 -0.196 0.000 2.255 257 G HA2 -0.223 3.737 3.960 0.001 0.000 0.196 257 G HA3 -0.223 3.737 3.960 0.001 0.000 0.196 257 G C 0.270 175.103 174.900 -0.112 0.000 0.998 257 G CA 0.202 45.223 45.100 -0.132 0.000 0.656 257 G HN 0.493 nan 8.290 nan 0.000 0.490 258 N N 0.158 118.781 118.700 -0.129 0.000 2.241 258 N HA 0.440 5.181 4.740 0.001 0.000 0.238 258 N C 1.388 176.854 175.510 -0.074 0.000 1.244 258 N CA 0.624 53.627 53.050 -0.079 0.000 0.880 258 N CB 0.253 38.709 38.487 -0.050 0.000 1.179 258 N HN 1.550 nan 8.380 nan 0.000 0.513 259 G N 0.073 108.781 108.800 -0.154 0.000 2.159 259 G HA2 -0.306 3.655 3.960 0.001 0.000 0.256 259 G HA3 -0.306 3.655 3.960 0.001 0.000 0.256 259 G C 0.159 175.057 174.900 -0.003 0.000 0.977 259 G CA 0.722 45.776 45.100 -0.076 0.000 0.652 259 G HN 0.864 nan 8.290 nan 0.000 0.531 260 T N -1.896 112.589 114.554 -0.114 0.000 2.927 260 T HA 0.786 5.136 4.350 0.001 0.000 0.281 260 T C -0.292 174.260 174.700 -0.247 0.000 0.998 260 T CA -0.768 61.333 62.100 0.001 0.000 1.019 260 T CB 2.135 71.011 68.868 0.013 0.000 1.061 260 T HN 0.412 nan 8.240 nan 0.000 0.518 261 F N -0.735 119.207 119.950 -0.014 0.000 2.576 261 F HA 0.659 5.186 4.527 0.001 0.000 0.313 261 F C 0.956 176.758 175.800 0.002 0.000 1.078 261 F CA -0.794 57.199 58.000 -0.011 0.000 0.921 261 F CB 2.219 41.204 39.000 -0.025 0.000 1.232 261 F HN 1.017 nan 8.300 nan 0.000 0.459 262 G N 0.403 109.298 108.800 0.158 0.000 2.525 262 G HA2 0.561 4.522 3.960 0.001 0.000 0.287 262 G HA3 0.561 4.522 3.960 0.001 0.000 0.287 262 G C -0.674 174.304 174.900 0.131 0.000 1.350 262 G CA -0.522 44.642 45.100 0.106 0.000 1.039 262 G HN 0.868 nan 8.290 nan 0.000 0.513 263 A N -1.393 121.483 122.820 0.095 0.000 2.466 263 A HA 0.445 4.765 4.320 0.001 0.000 0.238 263 A C 0.244 177.900 177.584 0.121 0.000 1.074 263 A CA -0.151 51.938 52.037 0.087 0.000 0.774 263 A CB 0.280 19.318 19.000 0.064 0.000 1.015 263 A HN 0.783 nan 8.150 nan 0.000 0.498 264 V N 3.955 123.932 119.914 0.105 0.000 2.461 264 V HA 0.233 4.354 4.120 0.001 0.000 0.275 264 V C 0.007 176.204 176.094 0.171 0.000 1.047 264 V CA -0.436 61.946 62.300 0.136 0.000 0.955 264 V CB 0.545 32.350 31.823 -0.029 0.000 0.988 264 V HN 0.866 nan 8.190 nan 0.000 0.471 265 N N 3.336 122.171 118.700 0.225 0.000 2.249 265 N HA 0.388 5.128 4.740 0.001 0.000 0.296 265 N C -0.990 174.588 175.510 0.113 0.000 1.051 265 N CA -0.694 52.457 53.050 0.169 0.000 0.815 265 N CB 2.681 41.232 38.487 0.107 0.000 1.487 265 N HN 0.527 nan 8.380 nan 0.000 0.475 266 L N 2.958 124.130 121.223 -0.085 0.000 2.456 266 L HA 0.105 4.445 4.340 0.001 0.000 0.277 266 L C 0.994 177.757 176.870 -0.177 0.000 1.124 266 L CA 0.238 54.796 54.840 -0.471 0.000 0.880 266 L CB 0.284 42.040 42.059 -0.505 0.000 1.192 266 L HN 0.506 nan 8.230 nan 0.000 0.463 267 V N 3.369 123.212 119.914 -0.117 0.000 3.661 267 V HA 0.389 4.510 4.120 0.001 0.000 0.271 267 V C 0.026 176.147 176.094 0.044 0.000 1.315 267 V CA 0.029 62.348 62.300 0.032 0.000 1.072 267 V CB 0.348 32.275 31.823 0.173 0.000 0.830 267 V HN 0.569 nan 8.190 nan 0.000 0.443 268 L N 0.591 121.789 121.223 -0.041 0.000 2.614 268 L HA 0.499 4.839 4.340 0.001 0.000 0.264 268 L C -0.282 176.559 176.870 -0.049 0.000 0.940 268 L CA -0.398 54.436 54.840 -0.010 0.000 0.903 268 L CB 2.003 44.065 42.059 0.004 0.000 1.306 268 L HN 0.005 nan 8.230 nan 0.000 0.410 269 K N 3.527 123.903 120.400 -0.040 0.000 3.006 269 K HA 0.257 4.578 4.320 0.001 0.000 0.265 269 K C -0.748 175.823 176.600 -0.049 0.000 1.279 269 K CA 0.001 56.261 56.287 -0.045 0.000 1.229 269 K CB -0.200 32.279 32.500 -0.035 0.000 1.555 269 K HN 0.490 nan 8.250 nan 0.000 0.300 270 D N -0.755 119.612 120.400 -0.055 0.000 2.643 270 D HA 0.221 4.861 4.640 0.001 0.000 0.283 270 D C -0.135 176.096 176.300 -0.115 0.000 1.242 270 D CA -0.734 53.160 54.000 -0.178 0.000 0.863 270 D CB 0.731 41.283 40.800 -0.413 0.000 1.382 270 D HN 0.110 nan 8.370 nan 0.000 0.444 271 F N -1.417 118.278 119.950 -0.425 0.000 3.006 271 F HA -0.141 4.386 4.527 0.001 0.000 0.289 271 F C 0.764 176.332 175.800 -0.387 0.000 0.772 271 F CA 1.094 58.486 58.000 -1.014 0.000 1.162 271 F CB -1.536 37.102 39.000 -0.603 0.000 1.382 271 F HN 0.292 nan 8.300 nan 0.000 0.406 272 G N -0.804 108.053 108.800 0.094 0.000 2.932 272 G HA2 0.524 4.484 3.960 0.001 0.000 0.283 272 G HA3 0.524 4.484 3.960 0.001 0.000 0.283 272 G C 0.591 175.665 174.900 0.290 0.000 1.336 272 G CA -0.131 45.115 45.100 0.244 0.000 1.056 272 G HN -0.031 nan 8.290 nan 0.000 0.522 273 V N 0.532 120.593 119.914 0.245 0.000 2.332 273 V HA -0.185 3.935 4.120 0.001 0.000 0.248 273 V C 2.615 178.797 176.094 0.147 0.000 1.055 273 V CA 1.939 64.359 62.300 0.200 0.000 1.038 273 V CB -0.472 31.448 31.823 0.161 0.000 0.651 273 V HN 0.586 nan 8.190 nan 0.000 0.450 274 N N 0.054 118.826 118.700 0.120 0.000 2.453 274 N HA -0.082 4.659 4.740 0.001 0.000 0.183 274 N C 1.683 177.237 175.510 0.073 0.000 1.041 274 N CA 1.205 54.300 53.050 0.075 0.000 0.900 274 N CB -0.166 38.353 38.487 0.053 0.000 0.961 274 N HN 0.385 nan 8.380 nan 0.000 0.443 275 S N -1.089 114.689 115.700 0.130 0.000 2.605 275 S HA 0.303 4.773 4.470 0.001 0.000 0.217 275 S C 1.239 175.889 174.600 0.083 0.000 0.958 275 S CA 0.325 58.599 58.200 0.123 0.000 0.919 275 S CB 0.364 63.667 63.200 0.172 0.000 0.780 275 S HN 0.531 nan 8.310 nan 0.000 0.507 276 G N 0.697 109.542 108.800 0.074 0.000 2.157 276 G HA2 -0.228 3.733 3.960 0.001 0.000 0.239 276 G HA3 -0.228 3.733 3.960 0.001 0.000 0.239 276 G C -0.231 174.639 174.900 -0.050 0.000 0.982 276 G CA -0.552 44.522 45.100 -0.043 0.000 0.650 276 G HN 0.454 nan 8.290 nan 0.000 0.527 277 W N 1.408 122.724 121.300 0.027 0.000 2.266 277 W HA 0.753 5.413 4.660 0.001 0.000 0.317 277 W C 0.754 177.394 176.519 0.200 0.000 1.310 277 W CA -0.380 57.047 57.345 0.135 0.000 1.207 277 W CB 0.630 30.128 29.460 0.063 0.000 1.199 277 W HN -0.034 nan 8.180 nan 0.000 0.544 278 R N 2.532 123.335 120.500 0.505 0.000 2.575 278 R HA 0.255 4.595 4.340 0.001 0.000 0.293 278 R C 0.462 176.816 176.300 0.089 0.000 0.983 278 R CA -0.771 55.414 56.100 0.142 0.000 0.887 278 R CB 1.416 31.667 30.300 -0.081 0.000 1.184 278 R HN 0.395 nan 8.270 nan 0.000 0.445 279 V N 2.284 122.237 119.914 0.064 0.000 2.392 279 V HA -0.279 3.842 4.120 0.001 0.000 0.249 279 V C 1.341 177.435 176.094 -0.001 0.000 1.059 279 V CA 2.030 64.360 62.300 0.050 0.000 1.051 279 V CB -0.256 31.587 31.823 0.033 0.000 0.658 279 V HN 0.668 nan 8.190 nan 0.000 0.455 280 E N -0.069 120.099 120.200 -0.054 0.000 2.347 280 E HA -0.093 4.258 4.350 0.001 0.000 0.196 280 E C 1.919 178.458 176.600 -0.102 0.000 1.008 280 E CA 0.716 57.079 56.400 -0.063 0.000 0.852 280 E CB -0.154 29.505 29.700 -0.068 0.000 0.783 280 E HN 0.556 nan 8.360 nan 0.000 0.505 281 K N -0.842 119.392 120.400 -0.277 0.000 2.399 281 K HA 0.207 4.528 4.320 0.001 0.000 0.196 281 K C -0.105 176.308 176.600 -0.312 0.000 1.103 281 K CA 0.197 56.198 56.287 -0.476 0.000 0.986 281 K CB 0.568 32.346 32.500 -1.204 0.000 0.952 281 K HN 0.196 nan 8.250 nan 0.000 0.541 282 H N -0.852 118.294 119.070 0.128 0.000 2.865 282 H HA 0.403 4.960 4.556 0.001 0.000 0.372 282 H C -1.315 174.152 175.328 0.231 0.000 1.173 282 H CA -1.169 55.012 56.048 0.222 0.000 1.147 282 H CB 2.417 32.345 29.762 0.277 0.000 1.805 282 H HN -0.271 nan 8.280 nan 0.000 0.553 283 V N 2.090 122.269 119.914 0.442 0.000 2.495 283 V HA 0.496 4.617 4.120 0.001 0.000 0.298 283 V C -0.252 176.021 176.094 0.299 0.000 1.031 283 V CA -0.714 61.747 62.300 0.269 0.000 0.871 283 V CB 1.546 33.407 31.823 0.064 0.000 0.988 283 V HN 0.672 nan 8.190 nan 0.000 0.432 284 R N 2.674 123.191 120.500 0.029 0.000 2.575 284 R HA 0.816 5.157 4.340 0.001 0.000 0.293 284 R C -1.537 174.673 176.300 -0.148 0.000 0.983 284 R CA -0.289 55.635 56.100 -0.293 0.000 0.887 284 R CB 2.002 31.646 30.300 -1.092 0.000 1.184 284 R HN 0.773 nan 8.270 nan 0.000 0.445 285 C N 1.558 120.825 119.300 -0.054 0.000 3.090 285 C HA 0.667 5.127 4.460 0.001 0.000 0.305 285 C C -0.760 174.293 174.990 0.105 0.000 1.292 285 C CA -0.801 58.277 59.018 0.100 0.000 1.482 285 C CB 2.184 30.019 27.740 0.159 0.000 1.897 285 C HN 0.501 nan 8.230 nan 0.000 0.469 286 V N 1.792 121.785 119.914 0.132 0.000 2.531 286 V HA 0.845 4.966 4.120 0.001 0.000 0.301 286 V C -0.217 175.940 176.094 0.106 0.000 1.034 286 V CA 0.105 62.466 62.300 0.101 0.000 0.865 286 V CB 1.725 33.600 31.823 0.087 0.000 0.995 286 V HN 0.997 nan 8.190 nan 0.000 0.424 287 S N 2.563 118.325 115.700 0.103 0.000 2.588 287 S HA 0.508 4.978 4.470 0.001 0.000 0.269 287 S C -0.860 173.799 174.600 0.098 0.000 1.157 287 S CA -0.382 57.880 58.200 0.104 0.000 0.824 287 S CB 2.108 65.380 63.200 0.120 0.000 1.126 287 S HN 0.795 nan 8.310 nan 0.000 0.464 288 S N 2.061 117.811 115.700 0.084 0.000 2.448 288 S HA 0.436 4.907 4.470 0.001 0.000 0.279 288 S C 0.550 175.192 174.600 0.070 0.000 1.195 288 S CA -0.543 57.698 58.200 0.069 0.000 1.051 288 S CB -0.506 62.724 63.200 0.050 0.000 0.948 288 S HN 0.570 nan 8.310 nan 0.000 0.493 289 L N 4.347 125.613 121.223 0.071 0.000 2.693 289 L HA 0.258 4.599 4.340 0.001 0.000 0.235 289 L C 1.044 177.916 176.870 0.003 0.000 1.127 289 L CA -0.118 54.756 54.840 0.057 0.000 0.914 289 L CB -0.035 42.089 42.059 0.109 0.000 1.193 289 L HN 0.720 nan 8.230 nan 0.000 0.502 290 T N -4.731 109.829 114.554 0.010 0.000 2.838 290 T HA 0.184 4.534 4.350 0.001 0.000 0.292 290 T C 0.594 175.291 174.700 -0.004 0.000 1.113 290 T CA -0.493 61.603 62.100 -0.005 0.000 1.008 290 T CB 1.380 70.250 68.868 0.003 0.000 1.259 290 T HN 0.047 nan 8.240 nan 0.000 0.520 291 N N 0.130 118.824 118.700 -0.010 0.000 2.550 291 N HA -0.029 4.711 4.740 0.001 0.000 0.186 291 N C 1.032 176.538 175.510 -0.007 0.000 1.110 291 N CA 0.412 53.457 53.050 -0.009 0.000 0.912 291 N CB -0.465 38.015 38.487 -0.012 0.000 0.968 291 N HN 0.695 nan 8.380 nan 0.000 0.448 292 K N 0.299 120.694 120.400 -0.007 0.000 2.362 292 K HA -0.010 4.311 4.320 0.001 0.000 0.200 292 K C 0.125 176.721 176.600 -0.007 0.000 1.046 292 K CA 0.246 56.527 56.287 -0.011 0.000 0.952 292 K CB -0.062 32.427 32.500 -0.018 0.000 0.753 292 K HN 0.161 nan 8.250 nan 0.000 0.466 293 K N 0.642 121.043 120.400 0.002 0.000 3.150 293 K HA -0.162 4.158 4.320 0.001 0.000 0.267 293 K C -0.819 175.786 176.600 0.009 0.000 1.028 293 K CA 0.440 56.732 56.287 0.008 0.000 0.753 293 K CB -1.408 31.094 32.500 0.005 0.000 1.288 293 K HN 0.207 nan 8.250 nan 0.000 0.473 294 V N -3.259 116.662 119.914 0.012 0.000 3.141 294 V HA 0.841 4.962 4.120 0.001 0.000 0.312 294 V C 0.644 176.764 176.094 0.043 0.000 1.157 294 V CA -0.399 61.908 62.300 0.012 0.000 1.041 294 V CB 1.923 33.734 31.823 -0.020 0.000 1.071 294 V HN 0.159 nan 8.190 nan 0.000 0.441 295 G N 1.063 109.900 108.800 0.062 0.000 2.356 295 G HA2 0.435 4.395 3.960 0.001 0.000 0.273 295 G HA3 0.435 4.395 3.960 0.001 0.000 0.273 295 G C -0.541 174.474 174.900 0.193 0.000 1.213 295 G CA -0.159 45.008 45.100 0.111 0.000 0.955 295 G HN 0.756 nan 8.290 nan 0.000 0.454 296 D N 1.522 122.030 120.400 0.179 0.000 2.277 296 D HA 0.351 4.992 4.640 0.001 0.000 0.250 296 D C 0.284 176.662 176.300 0.130 0.000 1.032 296 D CA -0.120 54.023 54.000 0.238 0.000 0.947 296 D CB 2.286 43.188 40.800 0.170 0.000 1.159 296 D HN 0.201 nan 8.370 nan 0.000 0.460 297 I N 1.311 121.899 120.570 0.031 0.000 2.359 297 I HA 0.281 4.451 4.170 0.001 0.000 0.294 297 I C -0.374 175.603 176.117 -0.233 0.000 0.987 297 I CA -0.604 60.555 61.300 -0.234 0.000 1.225 297 I CB 0.943 38.573 38.000 -0.616 0.000 1.366 297 I HN 0.055 nan 8.210 nan 0.000 0.466 298 I N 5.203 125.630 120.570 -0.239 0.000 2.498 298 I HA 0.617 4.788 4.170 0.001 0.000 0.290 298 I C 0.252 176.224 176.117 -0.243 0.000 1.032 298 I CA -0.148 61.037 61.300 -0.192 0.000 1.073 298 I CB 2.010 39.934 38.000 -0.127 0.000 1.251 298 I HN 0.575 nan 8.210 nan 0.000 0.426 299 G N 4.896 113.656 108.800 -0.067 0.000 2.666 299 G HA2 0.644 4.604 3.960 0.001 0.000 0.303 299 G HA3 0.644 4.604 3.960 0.001 0.000 0.303 299 G C -1.214 173.916 174.900 0.384 0.000 1.412 299 G CA -0.439 44.772 45.100 0.185 0.000 0.979 299 G HN 0.309 nan 8.290 nan 0.000 0.507 300 F N 2.762 122.959 119.950 0.412 0.000 2.405 300 F HA 0.463 4.990 4.527 0.001 0.000 0.358 300 F C 1.263 177.280 175.800 0.362 0.000 1.151 300 F CA -0.033 58.153 58.000 0.309 0.000 1.161 300 F CB 1.424 40.517 39.000 0.155 0.000 1.245 300 F HN 0.574 nan 8.300 nan 0.000 0.545 301 G N 1.764 110.759 108.800 0.326 0.000 2.849 301 G HA2 0.090 4.050 3.960 0.001 0.000 0.174 301 G HA3 0.090 4.050 3.960 0.001 0.000 0.174 301 G C 0.454 175.343 174.900 -0.018 0.000 1.370 301 G CA -0.287 44.582 45.100 -0.384 0.000 1.040 301 G HN 0.365 nan 8.290 nan 0.000 0.582 302 D N 0.009 120.320 120.400 -0.148 0.000 2.110 302 D HA 0.001 4.642 4.640 0.001 0.000 0.202 302 D C 2.469 178.853 176.300 0.140 0.000 0.975 302 D CA 1.416 55.478 54.000 0.103 0.000 0.839 302 D CB -0.255 40.553 40.800 0.012 0.000 0.996 302 D HN 0.295 nan 8.370 nan 0.000 0.464 303 A N -0.148 122.750 122.820 0.131 0.000 2.218 303 A HA 0.501 4.822 4.320 0.001 0.000 0.209 303 A C 1.137 178.709 177.584 -0.020 0.000 1.168 303 A CA 1.225 53.306 52.037 0.074 0.000 0.804 303 A CB 0.205 19.258 19.000 0.089 0.000 0.834 303 A HN 0.360 nan 8.150 nan 0.000 0.482 304 G N -2.053 106.734 108.800 -0.021 0.000 2.373 304 G HA2 0.312 4.273 3.960 0.001 0.000 0.250 304 G HA3 0.312 4.273 3.960 0.001 0.000 0.250 304 G C -1.327 173.462 174.900 -0.185 0.000 1.304 304 G CA -0.074 44.944 45.100 -0.137 0.000 0.948 304 G HN 0.493 nan 8.290 nan 0.000 0.474 305 V N 0.943 120.650 119.914 -0.345 0.000 2.394 305 V HA 0.641 4.761 4.120 0.001 0.000 0.282 305 V C -0.953 174.881 176.094 -0.434 0.000 1.031 305 V CA -0.405 61.653 62.300 -0.404 0.000 0.881 305 V CB 0.848 32.307 31.823 -0.606 0.000 0.982 305 V HN 0.548 nan 8.190 nan 0.000 0.451 306 Y N 2.906 123.209 120.300 0.005 0.000 2.393 306 Y HA 0.720 5.270 4.550 0.001 0.000 0.341 306 Y C -0.013 176.000 175.900 0.187 0.000 0.988 306 Y CA -0.785 57.399 58.100 0.140 0.000 1.078 306 Y CB 2.200 40.821 38.460 0.268 0.000 1.203 306 Y HN 0.354 nan 8.280 nan 0.000 0.453 307 V N 2.420 122.528 119.914 0.325 0.000 2.709 307 V HA 0.834 4.955 4.120 0.001 0.000 0.308 307 V C -0.854 175.428 176.094 0.314 0.000 1.062 307 V CA -0.954 61.501 62.300 0.260 0.000 0.901 307 V CB 1.899 33.830 31.823 0.179 0.000 1.003 307 V HN 0.833 nan 8.190 nan 0.000 0.425 308 A N 5.434 128.424 122.820 0.283 0.000 2.319 308 A HA 0.843 5.164 4.320 0.001 0.000 0.310 308 A C -0.930 176.848 177.584 0.323 0.000 1.152 308 A CA -0.489 51.725 52.037 0.295 0.000 0.783 308 A CB 0.729 19.921 19.000 0.320 0.000 1.184 308 A HN 0.788 nan 8.150 nan 0.000 0.474 309 L N 2.538 123.931 121.223 0.283 0.000 2.305 309 L HA 0.273 4.614 4.340 0.001 0.000 0.281 309 L C 0.536 177.525 176.870 0.199 0.000 1.085 309 L CA -0.802 54.175 54.840 0.228 0.000 0.813 309 L CB 0.791 42.928 42.059 0.129 0.000 1.157 309 L HN 0.734 nan 8.230 nan 0.000 0.436 310 N N 2.655 121.401 118.700 0.077 0.000 2.475 310 N HA -0.008 4.732 4.740 0.001 0.000 0.267 310 N C 0.562 175.958 175.510 -0.191 0.000 1.169 310 N CA 0.051 52.902 53.050 -0.331 0.000 0.947 310 N CB 0.756 39.063 38.487 -0.299 0.000 1.061 310 N HN 0.489 nan 8.380 nan 0.000 0.466 311 N N 2.696 121.260 118.700 -0.227 0.000 2.573 311 N HA -0.024 4.716 4.740 0.001 0.000 0.187 311 N C 0.990 176.436 175.510 -0.107 0.000 1.107 311 N CA 1.010 53.987 53.050 -0.122 0.000 0.918 311 N CB 0.135 38.559 38.487 -0.104 0.000 0.966 311 N HN 0.830 nan 8.380 nan 0.000 0.448 312 G N 1.055 109.772 108.800 -0.139 0.000 2.255 312 G HA2 -0.239 3.721 3.960 0.001 0.000 0.196 312 G HA3 -0.239 3.721 3.960 0.001 0.000 0.196 312 G C 0.438 175.276 174.900 -0.104 0.000 0.998 312 G CA 0.216 45.257 45.100 -0.099 0.000 0.656 312 G HN 0.508 nan 8.290 nan 0.000 0.490 313 N N 0.393 119.012 118.700 -0.135 0.000 2.197 313 N HA 0.437 5.178 4.740 0.001 0.000 0.228 313 N C 1.470 176.899 175.510 -0.135 0.000 1.212 313 N CA 0.815 53.799 53.050 -0.110 0.000 0.883 313 N CB 0.345 38.783 38.487 -0.082 0.000 1.107 313 N HN 1.603 nan 8.380 nan 0.000 0.519 314 G N -0.086 108.574 108.800 -0.234 0.000 2.175 314 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 314 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 314 G C 0.065 174.739 174.900 -0.377 0.000 0.982 314 G CA 0.471 45.414 45.100 -0.262 0.000 0.641 314 G HN 0.838 nan 8.290 nan 0.000 0.527 315 T N -1.331 112.982 114.554 -0.401 0.000 2.929 315 T HA 0.772 5.122 4.350 0.001 0.000 0.284 315 T C -0.417 173.978 174.700 -0.508 0.000 1.014 315 T CA -0.811 61.122 62.100 -0.279 0.000 1.051 315 T CB 2.083 70.891 68.868 -0.101 0.000 1.028 315 T HN 0.367 nan 8.240 nan 0.000 0.485 316 F N 0.261 120.225 119.950 0.022 0.000 2.532 316 F HA 0.665 5.192 4.527 0.001 0.000 0.321 316 F C 1.091 176.918 175.800 0.044 0.000 1.089 316 F CA -0.680 57.343 58.000 0.037 0.000 0.926 316 F CB 1.915 40.946 39.000 0.051 0.000 1.168 316 F HN 1.011 nan 8.300 nan 0.000 0.459 317 G N 1.371 110.301 108.800 0.216 0.000 2.553 317 G HA2 0.478 4.439 3.960 0.001 0.000 0.278 317 G HA3 0.478 4.439 3.960 0.001 0.000 0.278 317 G C -2.632 172.369 174.900 0.168 0.000 1.349 317 G CA -1.229 43.961 45.100 0.150 0.000 1.037 317 G HN 0.346 nan 8.290 nan 0.000 0.508 318 P HA 0.217 nan 4.420 nan 0.000 0.269 318 P C -0.236 177.146 177.300 0.138 0.000 1.215 318 P CA -0.430 62.735 63.100 0.108 0.000 0.780 318 P CB 0.808 32.557 31.700 0.081 0.000 0.898 319 V N 3.247 123.232 119.914 0.119 0.000 2.530 319 V HA 0.169 4.289 4.120 0.001 0.000 0.282 319 V C 0.663 176.857 176.094 0.167 0.000 1.048 319 V CA 0.277 62.668 62.300 0.150 0.000 0.997 319 V CB -0.091 31.736 31.823 0.007 0.000 0.987 319 V HN 0.471 nan 8.190 nan 0.000 0.477 320 K N 3.832 124.357 120.400 0.209 0.000 2.378 320 K HA 0.519 4.839 4.320 0.001 0.000 0.252 320 K C -0.494 176.186 176.600 0.133 0.000 0.931 320 K CA -0.918 55.467 56.287 0.164 0.000 0.794 320 K CB 2.517 35.087 32.500 0.117 0.000 1.181 320 K HN 0.511 nan 8.250 nan 0.000 0.425 321 R N 2.455 122.963 120.500 0.012 0.000 2.248 321 R HA 0.051 4.391 4.340 0.001 0.000 0.337 321 R C 0.825 177.023 176.300 -0.170 0.000 1.085 321 R CA -0.138 55.775 56.100 -0.312 0.000 0.934 321 R CB 0.306 30.335 30.300 -0.451 0.000 1.034 321 R HN 0.610 nan 8.270 nan 0.000 0.465 322 V N 2.953 122.768 119.914 -0.166 0.000 3.174 322 V HA 0.294 4.415 4.120 0.001 0.000 0.254 322 V C 0.657 176.703 176.094 -0.079 0.000 1.120 322 V CA 0.441 62.715 62.300 -0.044 0.000 1.114 322 V CB -0.121 31.746 31.823 0.073 0.000 0.756 322 V HN 0.516 nan 8.190 nan 0.000 0.467 323 I N 0.768 121.223 120.570 -0.191 0.000 2.571 323 I HA 0.440 4.610 4.170 0.001 0.000 0.289 323 I C -1.258 174.753 176.117 -0.176 0.000 1.115 323 I CA -0.490 60.725 61.300 -0.142 0.000 1.045 323 I CB 2.194 40.120 38.000 -0.124 0.000 1.238 323 I HN -0.117 nan 8.210 nan 0.000 0.424 324 D N 5.285 125.600 120.400 -0.142 0.000 2.994 324 D HA 0.258 4.899 4.640 0.001 0.000 0.240 324 D C -0.344 175.857 176.300 -0.165 0.000 1.195 324 D CA 0.480 54.392 54.000 -0.146 0.000 0.957 324 D CB -0.110 40.625 40.800 -0.109 0.000 1.105 324 D HN 0.396 nan 8.370 nan 0.000 0.477 325 N N -0.643 117.942 118.700 -0.192 0.000 3.261 325 N HA 0.120 4.860 4.740 0.001 0.000 0.248 325 N C -0.566 174.775 175.510 -0.282 0.000 1.498 325 N CA -0.591 52.268 53.050 -0.318 0.000 0.884 325 N CB 0.640 38.793 38.487 -0.557 0.000 1.428 325 N HN -0.082 nan 8.380 nan 0.000 0.517 326 F N -1.832 117.745 119.950 -0.623 0.000 3.006 326 F HA -0.150 4.377 4.527 0.001 0.000 0.289 326 F C 0.888 176.432 175.800 -0.426 0.000 0.772 326 F CA 1.071 58.386 58.000 -1.143 0.000 1.162 326 F CB -1.747 36.901 39.000 -0.587 0.000 1.382 326 F HN 0.422 nan 8.300 nan 0.000 0.406 327 G N -1.714 107.083 108.800 -0.005 0.000 2.461 327 G HA2 0.375 4.336 3.960 0.001 0.000 0.329 327 G HA3 0.375 4.336 3.960 0.001 0.000 0.329 327 G C 0.181 175.275 174.900 0.323 0.000 1.170 327 G CA -0.403 44.825 45.100 0.213 0.000 0.935 327 G HN 0.147 nan 8.290 nan 0.000 0.492 328 Y N 0.901 121.345 120.300 0.240 0.000 2.207 328 Y HA -0.235 4.316 4.550 0.001 0.000 0.287 328 Y C 2.587 178.576 175.900 0.149 0.000 1.156 328 Y CA 2.358 60.581 58.100 0.204 0.000 1.182 328 Y CB 0.165 38.717 38.460 0.153 0.000 0.979 328 Y HN 0.469 nan 8.280 nan 0.000 0.521 329 N N 0.181 119.043 118.700 0.270 0.000 2.223 329 N HA -0.169 4.572 4.740 0.001 0.000 0.185 329 N C 1.250 176.797 175.510 0.061 0.000 1.016 329 N CA 1.477 54.615 53.050 0.148 0.000 0.863 329 N CB -0.391 38.167 38.487 0.118 0.000 0.983 329 N HN 0.490 nan 8.380 nan 0.000 0.429 330 Q N -0.796 119.062 119.800 0.097 0.000 2.415 330 Q HA 0.301 4.642 4.340 0.001 0.000 0.206 330 Q C 0.925 176.965 176.000 0.066 0.000 0.946 330 Q CA 0.467 56.323 55.803 0.087 0.000 0.951 330 Q CB 0.159 28.973 28.738 0.127 0.000 1.026 330 Q HN 0.405 nan 8.270 nan 0.000 0.510 331 G N -1.340 107.450 108.800 -0.015 0.000 2.176 331 G HA2 -0.218 3.743 3.960 0.001 0.000 0.232 331 G HA3 -0.218 3.743 3.960 0.001 0.000 0.232 331 G C -0.570 174.231 174.900 -0.165 0.000 0.986 331 G CA -0.583 44.419 45.100 -0.162 0.000 0.643 331 G HN 0.260 nan 8.290 nan 0.000 0.522 332 W N 1.652 122.881 121.300 -0.119 0.000 2.238 332 W HA 0.748 5.409 4.660 0.001 0.000 0.321 332 W C 0.763 177.364 176.519 0.137 0.000 1.293 332 W CA -0.279 57.099 57.345 0.054 0.000 1.204 332 W CB 0.586 30.092 29.460 0.076 0.000 1.167 332 W HN -0.039 nan 8.180 nan 0.000 0.553 333 R N 2.406 123.217 120.500 0.517 0.000 2.575 333 R HA 0.269 4.610 4.340 0.001 0.000 0.293 333 R C 0.499 176.875 176.300 0.126 0.000 0.983 333 R CA -0.800 55.409 56.100 0.183 0.000 0.887 333 R CB 1.451 31.735 30.300 -0.026 0.000 1.184 333 R HN 0.386 nan 8.270 nan 0.000 0.445 334 V N 1.407 121.391 119.914 0.116 0.000 2.392 334 V HA -0.253 3.868 4.120 0.001 0.000 0.249 334 V C 1.531 177.618 176.094 -0.012 0.000 1.059 334 V CA 2.471 64.803 62.300 0.054 0.000 1.051 334 V CB -0.395 31.458 31.823 0.050 0.000 0.658 334 V HN 0.744 nan 8.190 nan 0.000 0.455 335 D N -0.940 119.435 120.400 -0.041 0.000 2.340 335 D HA -0.048 4.593 4.640 0.001 0.000 0.220 335 D C 1.436 177.645 176.300 -0.151 0.000 1.039 335 D CA 0.521 54.477 54.000 -0.074 0.000 0.866 335 D CB 0.014 40.783 40.800 -0.051 0.000 0.913 335 D HN 0.418 nan 8.370 nan 0.000 0.523 336 K N -1.011 119.220 120.400 -0.282 0.000 2.544 336 K HA 0.129 4.450 4.320 0.001 0.000 0.213 336 K C -0.261 176.083 176.600 -0.426 0.000 1.392 336 K CA -0.098 55.899 56.287 -0.484 0.000 0.980 336 K CB 0.782 32.731 32.500 -0.919 0.000 1.177 336 K HN 0.176 nan 8.250 nan 0.000 0.570 337 H N 1.318 120.410 119.070 0.037 0.000 2.607 337 H HA 0.239 4.795 4.556 0.001 0.000 0.248 337 H C -2.799 172.633 175.328 0.173 0.000 1.355 337 H CA -2.048 54.072 56.048 0.121 0.000 1.524 337 H CB 0.862 30.691 29.762 0.111 0.000 1.563 337 H HN -0.095 nan 8.280 nan 0.000 0.509 338 P HA 0.016 nan 4.420 nan 0.000 0.264 338 P C -0.281 176.977 177.300 -0.070 0.000 1.183 338 P CA 0.254 63.300 63.100 -0.090 0.000 0.763 338 P CB 0.764 32.366 31.700 -0.164 0.000 0.807 339 R N 2.508 122.681 120.500 -0.545 0.000 2.575 339 R HA 0.640 4.980 4.340 0.001 0.000 0.293 339 R C -0.921 174.869 176.300 -0.850 0.000 0.983 339 R CA -0.493 55.233 56.100 -0.623 0.000 0.887 339 R CB 1.321 31.045 30.300 -0.961 0.000 1.184 339 R HN 0.345 nan 8.270 nan 0.000 0.445 340 F N 0.808 120.735 119.950 -0.038 0.000 2.576 340 F HA 0.466 4.993 4.527 0.001 0.000 0.313 340 F C -0.274 175.584 175.800 0.097 0.000 1.078 340 F CA -1.057 56.982 58.000 0.065 0.000 0.921 340 F CB 1.968 41.055 39.000 0.144 0.000 1.232 340 F HN 0.029 nan 8.300 nan 0.000 0.459 341 V N 3.451 123.570 119.914 0.341 0.000 2.334 341 V HA 0.713 4.834 4.120 0.001 0.000 0.281 341 V C -0.879 175.347 176.094 0.219 0.000 1.016 341 V CA -0.601 61.851 62.300 0.253 0.000 0.832 341 V CB 1.386 33.346 31.823 0.228 0.000 0.999 341 V HN 0.610 nan 8.190 nan 0.000 0.439 342 V N 3.896 123.921 119.914 0.185 0.000 3.000 342 V HA 0.506 4.627 4.120 0.001 0.000 0.300 342 V C -1.469 174.694 176.094 0.115 0.000 1.251 342 V CA -0.608 61.776 62.300 0.139 0.000 0.972 342 V CB 2.555 34.453 31.823 0.126 0.000 1.065 342 V HN 0.842 nan 8.190 nan 0.000 0.431 343 D N 3.971 124.423 120.400 0.087 0.000 2.343 343 D HA 0.324 4.965 4.640 0.001 0.000 0.255 343 D C 0.694 177.032 176.300 0.064 0.000 1.187 343 D CA 0.303 54.345 54.000 0.071 0.000 0.875 343 D CB 1.260 42.092 40.800 0.052 0.000 1.136 343 D HN 0.552 nan 8.370 nan 0.000 0.469 344 L N 2.568 123.831 121.223 0.066 0.000 2.664 344 L HA 0.101 4.442 4.340 0.001 0.000 0.233 344 L C 1.742 178.640 176.870 0.047 0.000 1.113 344 L CA 0.362 55.237 54.840 0.059 0.000 0.896 344 L CB 0.315 42.415 42.059 0.069 0.000 1.163 344 L HN 0.487 nan 8.230 nan 0.000 0.497 345 T N -5.596 108.982 114.554 0.040 0.000 2.975 345 T HA 0.269 4.620 4.350 0.001 0.000 0.261 345 T C 1.378 176.091 174.700 0.022 0.000 0.984 345 T CA 0.568 62.685 62.100 0.029 0.000 0.911 345 T CB 1.058 69.940 68.868 0.023 0.000 1.127 345 T HN 0.237 nan 8.240 nan 0.000 0.514 346 G N 2.862 111.676 108.800 0.024 0.000 2.157 346 G HA2 -0.278 3.683 3.960 0.001 0.000 0.248 346 G HA3 -0.278 3.683 3.960 0.001 0.000 0.248 346 G C 0.541 175.448 174.900 0.013 0.000 0.979 346 G CA 0.545 45.657 45.100 0.020 0.000 0.650 346 G HN 0.730 nan 8.290 nan 0.000 0.529 347 D N 0.086 120.491 120.400 0.008 0.000 2.349 347 D HA 0.325 4.965 4.640 0.001 0.000 0.215 347 D C 1.864 178.164 176.300 0.001 0.000 1.016 347 D CA 0.889 54.889 54.000 0.000 0.000 0.870 347 D CB -0.594 40.200 40.800 -0.010 0.000 0.917 347 D HN 1.606 nan 8.370 nan 0.000 0.524 348 G N -0.415 108.390 108.800 0.009 0.000 2.176 348 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 348 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 348 G C 0.115 175.023 174.900 0.014 0.000 0.979 348 G CA 0.176 45.284 45.100 0.013 0.000 0.641 348 G HN 0.462 nan 8.290 nan 0.000 0.530 349 C N 2.073 121.376 119.300 0.004 0.000 2.271 349 C HA 0.812 5.272 4.460 0.001 0.000 0.323 349 C C 1.149 176.148 174.990 0.016 0.000 1.245 349 C CA -0.419 58.596 59.018 -0.006 0.000 1.548 349 C CB 0.072 27.780 27.740 -0.053 0.000 2.214 349 C HN 1.044 nan 8.230 nan 0.000 0.477 350 A N 3.924 126.780 122.820 0.061 0.000 2.498 350 A HA 0.415 4.736 4.320 0.001 0.000 0.239 350 A C 0.246 177.933 177.584 0.172 0.000 1.068 350 A CA 0.368 52.472 52.037 0.112 0.000 0.766 350 A CB 0.269 19.351 19.000 0.135 0.000 1.003 350 A HN 0.854 nan 8.150 nan 0.000 0.497 351 D N 0.194 120.709 120.400 0.191 0.000 2.569 351 D HA 0.609 5.250 4.640 0.001 0.000 0.266 351 D C -0.524 175.920 176.300 0.240 0.000 1.164 351 D CA -0.067 54.101 54.000 0.280 0.000 1.071 351 D CB 1.166 42.073 40.800 0.178 0.000 1.183 351 D HN 0.414 nan 8.370 nan 0.000 0.613 352 I N 0.736 121.409 120.570 0.172 0.000 2.465 352 I HA 0.322 4.492 4.170 0.001 0.000 0.291 352 I C -0.643 175.448 176.117 -0.043 0.000 1.014 352 I CA -0.893 60.393 61.300 -0.024 0.000 1.093 352 I CB 2.366 40.167 38.000 -0.332 0.000 1.267 352 I HN -0.085 nan 8.210 nan 0.000 0.431 353 V N 5.052 124.954 119.914 -0.019 0.000 2.709 353 V HA 0.916 5.037 4.120 0.001 0.000 0.308 353 V C -0.469 175.632 176.094 0.012 0.000 1.062 353 V CA -0.110 62.207 62.300 0.028 0.000 0.901 353 V CB 2.008 33.874 31.823 0.072 0.000 1.003 353 V HN 0.835 nan 8.190 nan 0.000 0.425 354 G N 4.646 113.544 108.800 0.164 0.000 2.687 354 G HA2 0.612 4.572 3.960 0.001 0.000 0.301 354 G HA3 0.612 4.572 3.960 0.001 0.000 0.301 354 G C -1.372 173.879 174.900 0.584 0.000 1.416 354 G CA -0.501 44.855 45.100 0.426 0.000 1.005 354 G HN 0.565 nan 8.290 nan 0.000 0.509 355 F N 2.689 122.940 119.950 0.502 0.000 2.377 355 F HA 0.432 4.960 4.527 0.001 0.000 0.360 355 F C 1.359 177.304 175.800 0.240 0.000 1.147 355 F CA -0.179 58.000 58.000 0.297 0.000 1.170 355 F CB 1.273 40.372 39.000 0.165 0.000 1.339 355 F HN 0.565 nan 8.300 nan 0.000 0.552 356 G N 1.625 110.561 108.800 0.226 0.000 2.535 356 G HA2 0.072 4.033 3.960 0.001 0.000 0.282 356 G HA3 0.072 4.033 3.960 0.001 0.000 0.282 356 G C 0.773 175.544 174.900 -0.215 0.000 1.350 356 G CA -0.254 44.578 45.100 -0.446 0.000 1.039 356 G HN 0.539 nan 8.290 nan 0.000 0.509 357 E N -0.748 119.183 120.200 -0.448 0.000 2.077 357 E HA -0.092 4.258 4.350 0.001 0.000 0.193 357 E C 1.886 178.477 176.600 -0.014 0.000 0.989 357 E CA 1.880 58.227 56.400 -0.088 0.000 0.800 357 E CB 0.093 29.708 29.700 -0.142 0.000 0.746 357 E HN 0.480 nan 8.360 nan 0.000 0.452 358 N N -1.516 117.173 118.700 -0.019 0.000 2.503 358 N HA 0.139 4.879 4.740 0.001 0.000 0.210 358 N C -0.458 175.030 175.510 -0.037 0.000 1.077 358 N CA 0.261 53.312 53.050 0.002 0.000 0.855 358 N CB 0.985 39.484 38.487 0.021 0.000 1.323 358 N HN -0.095 nan 8.380 nan 0.000 0.452 359 S N 0.321 115.991 115.700 -0.050 0.000 2.599 359 S HA 0.484 4.955 4.470 0.001 0.000 0.287 359 S C -0.293 174.097 174.600 -0.350 0.000 1.105 359 S CA -0.640 57.370 58.200 -0.317 0.000 0.899 359 S CB 3.081 65.870 63.200 -0.685 0.000 1.100 359 S HN -0.177 nan 8.310 nan 0.000 0.482 360 V N 1.867 121.529 119.914 -0.419 0.000 2.498 360 V HA 0.364 4.484 4.120 0.001 0.000 0.279 360 V C -1.048 174.787 176.094 -0.433 0.000 1.048 360 V CA -0.150 61.954 62.300 -0.327 0.000 0.967 360 V CB 0.093 31.674 31.823 -0.405 0.000 0.988 360 V HN 0.822 nan 8.190 nan 0.000 0.473 361 W N 2.540 123.918 121.300 0.129 0.000 2.736 361 W HA 0.785 5.445 4.660 0.001 0.000 0.335 361 W C -0.047 176.621 176.519 0.247 0.000 1.059 361 W CA -0.450 57.017 57.345 0.203 0.000 1.226 361 W CB 1.978 31.607 29.460 0.282 0.000 1.416 361 W HN 0.678 nan 8.180 nan 0.000 0.505 362 A N 1.556 124.641 122.820 0.440 0.000 2.384 362 A HA 0.830 5.150 4.320 0.001 0.000 0.312 362 A C -1.560 176.250 177.584 0.377 0.000 1.113 362 A CA -0.670 51.561 52.037 0.323 0.000 0.779 362 A CB 1.603 20.707 19.000 0.173 0.000 1.307 362 A HN 0.786 nan 8.150 nan 0.000 0.436 363 C N 3.365 122.844 119.300 0.297 0.000 2.505 363 C HA 0.649 5.109 4.460 0.001 0.000 0.342 363 C C -0.995 174.204 174.990 0.349 0.000 1.121 363 C CA -0.842 58.367 59.018 0.318 0.000 1.306 363 C CB 0.319 28.269 27.740 0.351 0.000 1.897 363 C HN 0.794 nan 8.230 nan 0.000 0.446 364 M N 5.130 124.895 119.600 0.276 0.000 2.216 364 M HA 0.285 4.765 4.480 0.001 0.000 0.356 364 M C 0.349 176.680 176.300 0.051 0.000 1.205 364 M CA -0.135 55.272 55.300 0.179 0.000 1.122 364 M CB 0.342 32.995 32.600 0.088 0.000 1.571 364 M HN 0.722 nan 8.290 nan 0.000 0.464 365 N N 2.504 121.081 118.700 -0.205 0.000 2.454 365 N HA 0.005 4.745 4.740 0.001 0.000 0.260 365 N C 0.476 175.780 175.510 -0.344 0.000 1.218 365 N CA 0.391 53.009 53.050 -0.720 0.000 0.904 365 N CB 0.830 38.994 38.487 -0.538 0.000 1.065 365 N HN 0.501 nan 8.380 nan 0.000 0.462 366 K N 2.214 122.410 120.400 -0.341 0.000 2.362 366 K HA 0.002 4.322 4.320 0.001 0.000 0.200 366 K C 0.971 177.492 176.600 -0.131 0.000 1.046 366 K CA 0.782 56.971 56.287 -0.163 0.000 0.952 366 K CB 0.178 32.608 32.500 -0.116 0.000 0.753 366 K HN 0.818 nan 8.250 nan 0.000 0.466 367 G N 2.074 110.773 108.800 -0.168 0.000 2.229 367 G HA2 -0.172 3.789 3.960 0.001 0.000 0.189 367 G HA3 -0.172 3.789 3.960 0.001 0.000 0.189 367 G C 0.089 174.933 174.900 -0.093 0.000 1.000 367 G CA 0.244 45.279 45.100 -0.108 0.000 0.663 367 G HN 0.422 nan 8.290 nan 0.000 0.493 368 D N -0.726 119.606 120.400 -0.114 0.000 2.563 368 D HA 0.443 5.083 4.640 0.001 0.000 0.237 368 D C 1.531 177.791 176.300 -0.067 0.000 1.282 368 D CA 0.495 54.453 54.000 -0.070 0.000 0.816 368 D CB -0.214 40.559 40.800 -0.046 0.000 1.066 368 D HN 1.511 nan 8.370 nan 0.000 0.501 369 G N 0.311 109.030 108.800 -0.134 0.000 2.157 369 G HA2 -0.239 3.722 3.960 0.001 0.000 0.248 369 G HA3 -0.239 3.722 3.960 0.001 0.000 0.248 369 G C 0.410 175.296 174.900 -0.023 0.000 0.979 369 G CA 0.513 45.574 45.100 -0.065 0.000 0.650 369 G HN 0.876 nan 8.290 nan 0.000 0.529 370 T N -1.863 112.607 114.554 -0.141 0.000 2.950 370 T HA 0.811 5.161 4.350 0.001 0.000 0.288 370 T C -0.478 174.070 174.700 -0.253 0.000 1.035 370 T CA -0.916 61.177 62.100 -0.012 0.000 1.028 370 T CB 2.386 71.265 68.868 0.018 0.000 1.109 370 T HN 0.438 nan 8.240 nan 0.000 0.514 371 F N -0.565 119.389 119.950 0.007 0.000 2.576 371 F HA 0.670 5.198 4.527 0.001 0.000 0.313 371 F C 1.007 176.819 175.800 0.020 0.000 1.078 371 F CA -0.752 57.257 58.000 0.015 0.000 0.921 371 F CB 2.237 41.244 39.000 0.011 0.000 1.232 371 F HN 1.019 nan 8.300 nan 0.000 0.459 372 G N 1.009 109.916 108.800 0.179 0.000 2.504 372 G HA2 0.540 4.500 3.960 0.001 0.000 0.257 372 G HA3 0.540 4.500 3.960 0.001 0.000 0.257 372 G C -2.581 172.404 174.900 0.142 0.000 1.451 372 G CA -1.071 44.103 45.100 0.123 0.000 1.059 372 G HN 0.364 nan 8.290 nan 0.000 0.550 373 P HA 0.289 nan 4.420 nan 0.000 0.276 373 P C -0.077 177.304 177.300 0.134 0.000 1.252 373 P CA -0.415 62.742 63.100 0.094 0.000 0.802 373 P CB 1.004 32.747 31.700 0.072 0.000 1.035 374 I N 1.534 122.169 120.570 0.108 0.000 2.588 374 I HA 0.167 4.337 4.170 0.001 0.000 0.283 374 I C 0.855 177.121 176.117 0.248 0.000 1.119 374 I CA 0.112 61.512 61.300 0.167 0.000 1.419 374 I CB 0.141 38.125 38.000 -0.027 0.000 1.394 374 I HN 0.423 nan 8.210 nan 0.000 0.562 375 M N 6.718 126.522 119.600 0.339 0.000 2.321 375 M HA 0.346 4.826 4.480 0.001 0.000 0.315 375 M C -0.650 175.846 176.300 0.326 0.000 1.052 375 M CA -0.761 54.706 55.300 0.279 0.000 0.936 375 M CB 1.868 34.574 32.600 0.176 0.000 1.639 375 M HN 0.488 nan 8.290 nan 0.000 0.433 376 K N 4.164 124.652 120.400 0.146 0.000 2.368 376 K HA 0.223 4.543 4.320 0.001 0.000 0.282 376 K C -0.111 176.359 176.600 -0.216 0.000 1.035 376 K CA -0.194 55.894 56.287 -0.330 0.000 0.973 376 K CB 0.757 32.959 32.500 -0.497 0.000 0.957 376 K HN 0.942 nan 8.250 nan 0.000 0.474 377 L N 4.159 125.210 121.223 -0.286 0.000 2.185 377 L HA 0.295 4.636 4.340 0.001 0.000 0.198 377 L C 0.894 177.639 176.870 -0.209 0.000 1.079 377 L CA 0.317 55.046 54.840 -0.185 0.000 0.780 377 L CB 0.171 42.134 42.059 -0.160 0.000 0.955 377 L HN 0.667 nan 8.230 nan 0.000 0.462 378 I N -1.573 118.827 120.570 -0.284 0.000 2.947 378 I HA 0.152 4.322 4.170 0.001 0.000 0.301 378 I C -1.592 174.367 176.117 -0.264 0.000 1.453 378 I CA -0.591 60.573 61.300 -0.227 0.000 0.984 378 I CB 2.530 40.436 38.000 -0.157 0.000 1.333 378 I HN -0.097 nan 8.210 nan 0.000 0.475 379 D N 4.893 125.176 120.400 -0.194 0.000 2.767 379 D HA 0.369 5.009 4.640 0.001 0.000 0.241 379 D C -1.075 175.155 176.300 -0.117 0.000 1.187 379 D CA 0.393 54.297 54.000 -0.160 0.000 0.999 379 D CB 0.083 40.814 40.800 -0.114 0.000 1.042 379 D HN 0.344 nan 8.370 nan 0.000 0.510 380 D N -0.270 120.042 120.400 -0.146 0.000 2.671 380 D HA 0.215 4.856 4.640 0.001 0.000 0.273 380 D C 0.168 176.292 176.300 -0.293 0.000 1.264 380 D CA -0.503 53.402 54.000 -0.159 0.000 0.788 380 D CB 1.104 41.825 40.800 -0.132 0.000 1.324 380 D HN -0.025 nan 8.370 nan 0.000 0.424 381 M N -0.475 118.744 119.600 -0.635 0.000 2.653 381 M HA -0.199 4.281 4.480 0.001 0.000 0.203 381 M C -0.346 175.593 176.300 -0.601 0.000 0.502 381 M CA 1.038 55.523 55.300 -1.358 0.000 0.601 381 M CB -2.412 29.686 32.600 -0.836 0.000 2.228 381 M HN 0.537 nan 8.290 nan 0.000 0.711 382 T N -5.046 109.361 114.554 -0.245 0.000 2.907 382 T HA 0.619 4.970 4.350 0.001 0.000 0.290 382 T C 0.811 175.607 174.700 0.159 0.000 1.066 382 T CA -0.678 61.447 62.100 0.042 0.000 1.012 382 T CB 2.125 71.008 68.868 0.024 0.000 1.184 382 T HN -0.091 nan 8.240 nan 0.000 0.522 383 V N 1.421 121.419 119.914 0.140 0.000 2.282 383 V HA -0.192 3.928 4.120 0.001 0.000 0.249 383 V C 3.037 179.187 176.094 0.094 0.000 1.057 383 V CA 2.712 65.080 62.300 0.112 0.000 1.032 383 V CB -1.157 30.709 31.823 0.072 0.000 0.645 383 V HN 1.103 nan 8.190 nan 0.000 0.447 384 S N -1.002 114.741 115.700 0.071 0.000 2.515 384 S HA -0.057 4.413 4.470 0.001 0.000 0.231 384 S C 1.545 176.184 174.600 0.065 0.000 0.987 384 S CA 0.593 58.822 58.200 0.048 0.000 0.936 384 S CB -0.179 63.036 63.200 0.025 0.000 0.766 384 S HN 0.511 nan 8.310 nan 0.000 0.528 385 K N 0.888 121.357 120.400 0.116 0.000 2.410 385 K HA 0.289 4.610 4.320 0.001 0.000 0.200 385 K C 0.992 177.738 176.600 0.244 0.000 1.023 385 K CA 0.517 56.900 56.287 0.159 0.000 1.149 385 K CB 0.283 32.873 32.500 0.150 0.000 0.859 385 K HN 0.570 nan 8.250 nan 0.000 0.514 386 G N 1.049 109.958 108.800 0.180 0.000 2.131 386 G HA2 -0.185 3.776 3.960 0.001 0.000 0.201 386 G HA3 -0.185 3.776 3.960 0.001 0.000 0.201 386 G C -0.880 173.995 174.900 -0.042 0.000 1.000 386 G CA -0.591 44.529 45.100 0.034 0.000 0.680 386 G HN 0.172 nan 8.290 nan 0.000 0.514 387 W N 1.293 122.560 121.300 -0.055 0.000 2.361 387 W HA 0.654 5.314 4.660 0.000 0.000 0.314 387 W C 0.693 177.173 176.519 -0.065 0.000 1.041 387 W CA 0.055 57.366 57.345 -0.057 0.000 1.241 387 W CB 1.528 30.961 29.460 -0.044 0.000 1.279 387 W HN 0.479 nan 8.180 nan 0.000 0.436 388 T N -0.206 114.388 114.554 0.066 0.000 2.924 388 T HA 0.384 4.734 4.350 0.001 0.000 0.291 388 T C 0.459 175.162 174.700 0.005 0.000 1.045 388 T CA -0.793 61.310 62.100 0.005 0.000 1.015 388 T CB 1.615 70.445 68.868 -0.063 0.000 1.103 388 T HN 0.160 nan 8.240 nan 0.000 0.496 389 L N 1.051 122.263 121.223 -0.017 0.000 2.131 389 L HA -0.016 4.324 4.340 0.001 0.000 0.210 389 L C 2.739 179.604 176.870 -0.008 0.000 1.092 389 L CA 1.723 56.555 54.840 -0.014 0.000 0.759 389 L CB -0.861 41.178 42.059 -0.032 0.000 0.903 389 L HN 0.728 nan 8.230 nan 0.000 0.435 390 Q N -0.830 118.954 119.800 -0.027 0.000 2.224 390 Q HA -0.105 4.235 4.340 0.001 0.000 0.203 390 Q C 1.764 177.759 176.000 -0.008 0.000 0.970 390 Q CA 1.229 57.021 55.803 -0.020 0.000 0.865 390 Q CB -0.021 28.690 28.738 -0.044 0.000 0.922 390 Q HN 0.356 nan 8.270 nan 0.000 0.445 391 K N -0.368 119.996 120.400 -0.060 0.000 2.412 391 K HA 0.155 4.476 4.320 0.001 0.000 0.202 391 K C 0.168 176.777 176.600 0.014 0.000 1.102 391 K CA 0.605 56.838 56.287 -0.091 0.000 1.027 391 K CB 1.290 33.536 32.500 -0.425 0.000 0.931 391 K HN 0.272 nan 8.250 nan 0.000 0.557 392 T N -2.082 112.484 114.554 0.021 0.000 2.901 392 T HA 0.589 4.940 4.350 0.001 0.000 0.293 392 T C -0.562 174.211 174.700 0.122 0.000 1.084 392 T CA -0.749 61.397 62.100 0.077 0.000 1.008 392 T CB 2.248 71.154 68.868 0.062 0.000 1.170 392 T HN -0.230 nan 8.240 nan 0.000 0.509 393 V N 1.268 121.298 119.914 0.194 0.000 2.588 393 V HA 0.670 4.790 4.120 0.001 0.000 0.304 393 V C -0.333 175.821 176.094 0.100 0.000 1.042 393 V CA -0.910 61.423 62.300 0.056 0.000 0.877 393 V CB 1.738 33.534 31.823 -0.046 0.000 0.996 393 V HN 0.902 nan 8.190 nan 0.000 0.425 394 R N 3.082 123.471 120.500 -0.185 0.000 2.686 394 R HA 0.758 5.099 4.340 0.001 0.000 0.286 394 R C -1.886 174.193 176.300 -0.369 0.000 0.969 394 R CA -0.674 55.267 56.100 -0.263 0.000 0.898 394 R CB 2.428 32.361 30.300 -0.612 0.000 1.183 394 R HN 0.650 nan 8.270 nan 0.000 0.456 395 Y N -0.138 120.148 120.300 -0.024 0.000 2.553 395 Y HA 0.547 5.097 4.550 0.001 0.000 0.347 395 Y C -0.144 175.599 175.900 -0.262 0.000 1.019 395 Y CA -1.059 56.903 58.100 -0.230 0.000 1.032 395 Y CB 2.143 40.553 38.460 -0.084 0.000 1.284 395 Y HN 0.670 nan 8.280 nan 0.000 0.466 396 A N 1.611 124.178 122.820 -0.422 0.000 2.363 396 A HA 0.860 5.180 4.320 0.001 0.000 0.270 396 A C -0.523 177.006 177.584 -0.091 0.000 1.121 396 A CA 0.290 52.228 52.037 -0.165 0.000 0.800 396 A CB -0.069 18.813 19.000 -0.197 0.000 1.052 396 A HN 1.048 nan 8.150 nan 0.000 0.493 397 A N 2.563 125.366 122.820 -0.030 0.000 2.589 397 A HA 0.614 4.934 4.320 0.001 0.000 0.296 397 A C -0.935 176.637 177.584 -0.019 0.000 1.062 397 A CA -0.886 51.123 52.037 -0.047 0.000 0.686 397 A CB 0.838 19.797 19.000 -0.069 0.000 1.282 397 A HN 0.803 nan 8.150 nan 0.000 0.404 398 N N 1.856 120.540 118.700 -0.027 0.000 2.521 398 N HA 0.386 5.127 4.740 0.001 0.000 0.236 398 N C 0.902 176.381 175.510 -0.051 0.000 1.067 398 N CA -0.376 52.669 53.050 -0.008 0.000 0.939 398 N CB 0.688 39.176 38.487 0.001 0.000 1.201 398 N HN 0.604 nan 8.380 nan 0.000 0.511 399 L N 1.090 122.272 121.223 -0.068 0.000 2.093 399 L HA -0.054 4.286 4.340 0.001 0.000 0.208 399 L C -0.253 176.262 176.870 -0.592 0.000 1.085 399 L CA 1.161 55.837 54.840 -0.273 0.000 0.755 399 L CB -0.182 41.749 42.059 -0.213 0.000 0.904 399 L HN 0.521 nan 8.230 nan 0.000 0.435 400 Y N -1.911 118.403 120.300 0.023 0.000 2.562 400 Y HA 0.696 5.246 4.550 0.001 0.000 0.345 400 Y C -0.001 175.904 175.900 0.007 0.000 1.045 400 Y CA -0.796 57.307 58.100 0.005 0.000 1.028 400 Y CB 1.426 39.884 38.460 -0.004 0.000 1.297 400 Y HN -0.244 nan 8.280 nan 0.000 0.463 401 L N 0.000 121.319 121.223 0.159 0.000 2.949 401 L HA 0.000 4.340 4.340 0.001 0.000 0.249 401 L CA 0.000 nan 54.840 nan 0.000 0.813 401 L CB 0.000 nan 42.059 nan 0.000 0.961 401 L HN 0.000 nan 8.230 nan 0.000 0.502