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 3tat_1_C DATA FIRST_RESID 5 DATA SEQUENCE MFQKVDAYAG DPILTLMERF KEDPRSDKVN LSIGLYYNED GIIPQLQAVA DATA SEQUENCE EAEARLNAQP HGASLYLPME GLNCYRHAIA PLLFGADHPV LKQQRVATIQ DATA SEQUENCE TLGGSGALKV GADFLKRYFP ESGXXXXXVW VSDPTWENHV AIFAGAGFXE DATA SEQUENCE VSTYPWYDEA TNGVRFNDLL ATLKTLPARS IVLLHPCCHN PTGADLTNDQ DATA SEQUENCE WDAVIEILKA RELIPFLDIA YQGFGAGXME EDAYAIRAIA SAGLPALVSN DATA SEQUENCE SFSKIFSLYG ERVGGLSVMC EDAEAAGRVL GQLKATVRRN YSSPPNFGAQ DATA SEQUENCE VVAAVLNDEA LKASWLAEVE EMRTRILAMR QELVKVLSTE MPERNFDYLL DATA SEQUENCE NQRGMFSYTG LSAAQVDRLR EEFGVYLIAS GRMCVAGLNT ANVQRVAKAF DATA SEQUENCE AAVM 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.312 176.300 0.019 0.000 1.140 5 M CA 0.000 55.273 55.300 -0.046 0.000 0.988 5 M CB 0.000 32.462 32.600 -0.229 0.000 1.302 6 F N 1.982 121.935 119.950 0.005 0.000 2.441 6 F HA 0.373 4.901 4.527 0.001 0.000 0.337 6 F C 0.886 176.691 175.800 0.008 0.000 1.182 6 F CA -0.398 57.606 58.000 0.007 0.000 1.279 6 F CB -0.165 38.839 39.000 0.006 0.000 1.614 6 F HN 0.424 nan 8.300 nan 0.000 0.574 7 Q N 0.376 120.185 119.800 0.016 0.000 2.245 7 Q HA 0.118 4.459 4.340 0.001 0.000 0.236 7 Q C 0.922 176.946 176.000 0.041 0.000 0.842 7 Q CA 0.186 55.986 55.803 -0.004 0.000 0.945 7 Q CB -0.061 28.638 28.738 -0.064 0.000 1.122 7 Q HN 0.518 nan 8.270 nan 0.000 0.506 8 K N 1.278 121.714 120.400 0.060 0.000 2.574 8 K HA 0.062 4.382 4.320 0.001 0.000 0.193 8 K C 0.137 176.778 176.600 0.068 0.000 1.035 8 K CA 0.149 56.468 56.287 0.054 0.000 0.982 8 K CB -0.123 32.409 32.500 0.053 0.000 0.795 8 K HN 0.086 nan 8.250 nan 0.000 0.491 9 V N 2.435 122.404 119.914 0.093 0.000 2.357 9 V HA -0.061 4.060 4.120 0.001 0.000 0.239 9 V C 0.175 176.318 176.094 0.082 0.000 1.168 9 V CA -0.086 62.273 62.300 0.098 0.000 1.262 9 V CB -0.783 31.116 31.823 0.127 0.000 1.314 9 V HN 0.171 nan 8.190 nan 0.000 0.486 10 D N 3.456 123.901 120.400 0.075 0.000 2.455 10 D HA 0.319 4.959 4.640 0.001 0.000 0.241 10 D C 0.593 176.950 176.300 0.094 0.000 1.138 10 D CA 0.376 54.415 54.000 0.064 0.000 0.877 10 D CB 1.693 42.518 40.800 0.041 0.000 1.187 10 D HN 0.686 nan 8.370 nan 0.000 0.451 11 A N 3.451 126.315 122.820 0.073 0.000 2.462 11 A HA 0.085 4.406 4.320 0.001 0.000 0.243 11 A C -0.465 177.189 177.584 0.117 0.000 1.076 11 A CA 0.044 52.138 52.037 0.096 0.000 0.773 11 A CB 0.198 19.234 19.000 0.060 0.000 1.010 11 A HN 0.540 nan 8.150 nan 0.000 0.493 12 Y N 1.054 121.357 120.300 0.005 0.000 2.335 12 Y HA 0.408 4.958 4.550 0.001 0.000 0.323 12 Y C 1.371 177.270 175.900 -0.002 0.000 1.224 12 Y CA 0.568 58.668 58.100 -0.000 0.000 1.241 12 Y CB 1.615 40.073 38.460 -0.003 0.000 1.235 12 Y HN 0.770 nan 8.280 nan 0.000 0.492 13 A N 2.780 125.567 122.820 -0.056 0.000 1.933 13 A HA 0.217 4.538 4.320 0.001 0.000 0.218 13 A C 1.734 179.363 177.584 0.076 0.000 1.175 13 A CA 1.782 53.808 52.037 -0.019 0.000 0.628 13 A CB -1.301 17.644 19.000 -0.092 0.000 0.814 13 A HN 1.437 nan 8.150 nan 0.000 0.444 14 G N -1.234 107.684 108.800 0.197 0.000 2.728 14 G HA2 -0.204 3.757 3.960 0.001 0.000 0.269 14 G HA3 -0.204 3.757 3.960 0.001 0.000 0.269 14 G C -0.378 174.581 174.900 0.098 0.000 1.334 14 G CA 0.319 45.517 45.100 0.163 0.000 0.974 14 G HN 0.514 nan 8.290 nan 0.000 0.550 15 D N 1.969 122.401 120.400 0.053 0.000 2.363 15 D HA 0.486 5.127 4.640 0.001 0.000 0.258 15 D C -1.521 174.793 176.300 0.023 0.000 1.259 15 D CA -0.944 53.073 54.000 0.028 0.000 0.921 15 D CB 1.739 42.551 40.800 0.020 0.000 1.201 15 D HN 0.119 nan 8.370 nan 0.000 0.524 16 P HA -0.012 nan 4.420 nan 0.000 0.237 16 P C 1.215 178.528 177.300 0.021 0.000 1.178 16 P CA 0.352 63.462 63.100 0.018 0.000 0.766 16 P CB 0.122 31.828 31.700 0.009 0.000 0.876 17 I N -4.710 115.870 120.570 0.017 0.000 3.883 17 I HA 0.165 4.336 4.170 0.001 0.000 0.326 17 I C 1.616 177.750 176.117 0.027 0.000 1.283 17 I CA 0.313 61.626 61.300 0.022 0.000 1.161 17 I CB -0.441 37.564 38.000 0.008 0.000 1.012 17 I HN -0.232 nan 8.210 nan 0.000 0.421 18 L N 0.013 121.250 121.223 0.023 0.000 2.616 18 L HA 0.308 4.649 4.340 0.001 0.000 0.229 18 L C 1.765 178.649 176.870 0.024 0.000 1.110 18 L CA 1.235 56.087 54.840 0.020 0.000 0.884 18 L CB -0.629 41.440 42.059 0.017 0.000 1.115 18 L HN 0.098 nan 8.230 nan 0.000 0.481 19 T N -0.120 114.453 114.554 0.031 0.000 2.995 19 T HA -0.003 4.348 4.350 0.001 0.000 0.269 19 T C 1.759 176.489 174.700 0.050 0.000 1.091 19 T CA 1.193 63.315 62.100 0.037 0.000 1.128 19 T CB -0.203 68.688 68.868 0.038 0.000 0.891 19 T HN 0.278 nan 8.240 nan 0.000 0.492 20 L N -0.004 121.254 121.223 0.058 0.000 2.465 20 L HA 0.045 4.385 4.340 0.001 0.000 0.224 20 L C 2.212 179.103 176.870 0.034 0.000 1.145 20 L CA 0.404 55.298 54.840 0.090 0.000 0.834 20 L CB -0.361 41.768 42.059 0.117 0.000 0.944 20 L HN 0.250 nan 8.230 nan 0.000 0.451 21 M N -0.733 118.871 119.600 0.007 0.000 2.319 21 M HA -0.102 4.378 4.480 0.001 0.000 0.265 21 M C 2.115 178.419 176.300 0.006 0.000 1.068 21 M CA 1.392 56.673 55.300 -0.032 0.000 1.118 21 M CB -0.245 32.340 32.600 -0.024 0.000 1.395 21 M HN 0.110 nan 8.290 nan 0.000 0.435 22 E N -0.699 119.518 120.200 0.029 0.000 2.033 22 E HA -0.069 4.282 4.350 0.001 0.000 0.189 22 E C 2.073 178.703 176.600 0.051 0.000 0.979 22 E CA 0.563 56.987 56.400 0.041 0.000 0.802 22 E CB -0.579 29.144 29.700 0.038 0.000 0.763 22 E HN 0.293 nan 8.360 nan 0.000 0.449 23 R N 0.416 120.958 120.500 0.070 0.000 2.226 23 R HA -0.141 4.200 4.340 0.001 0.000 0.246 23 R C 2.030 178.373 176.300 0.072 0.000 1.161 23 R CA 0.749 56.918 56.100 0.114 0.000 0.997 23 R CB -0.547 29.881 30.300 0.214 0.000 0.870 23 R HN 0.207 nan 8.270 nan 0.000 0.465 24 F N 0.942 120.710 119.950 -0.303 0.000 2.104 24 F HA -0.016 4.512 4.527 0.001 0.000 0.288 24 F C 1.996 177.665 175.800 -0.218 0.000 1.107 24 F CA 1.182 58.840 58.000 -0.569 0.000 1.208 24 F CB -0.253 38.221 39.000 -0.876 0.000 1.033 24 F HN -0.194 nan 8.300 nan 0.000 0.478 25 K N 0.052 120.601 120.400 0.247 0.000 2.286 25 K HA -0.166 4.154 4.320 0.001 0.000 0.203 25 K C 1.726 178.321 176.600 -0.008 0.000 1.045 25 K CA 1.487 57.862 56.287 0.147 0.000 0.935 25 K CB -0.139 32.450 32.500 0.147 0.000 0.737 25 K HN 0.356 nan 8.250 nan 0.000 0.460 26 E N 0.728 120.920 120.200 -0.014 0.000 2.140 26 E HA -0.056 4.295 4.350 0.001 0.000 0.191 26 E C 0.082 176.658 176.600 -0.040 0.000 0.973 26 E CA 0.443 56.833 56.400 -0.016 0.000 0.829 26 E CB -0.186 29.521 29.700 0.012 0.000 0.781 26 E HN 0.180 nan 8.360 nan 0.000 0.466 27 D N 2.669 123.034 120.400 -0.058 0.000 2.358 27 D HA 0.060 4.701 4.640 0.001 0.000 0.258 27 D C -2.437 173.794 176.300 -0.115 0.000 1.223 27 D CA -1.876 52.094 54.000 -0.049 0.000 0.886 27 D CB 0.891 41.707 40.800 0.027 0.000 1.120 27 D HN -0.145 nan 8.370 nan 0.000 0.482 28 P HA 0.311 nan 4.420 nan 0.000 0.286 28 P C -0.779 176.471 177.300 -0.083 0.000 1.321 28 P CA -0.248 62.801 63.100 -0.084 0.000 0.790 28 P CB 0.829 32.497 31.700 -0.053 0.000 0.897 29 R N 1.274 121.711 120.500 -0.105 0.000 3.006 29 R HA 0.697 5.037 4.340 0.001 0.000 0.261 29 R C -0.276 175.978 176.300 -0.076 0.000 1.113 29 R CA -0.845 55.205 56.100 -0.083 0.000 0.973 29 R CB 0.412 30.663 30.300 -0.082 0.000 1.341 29 R HN 0.103 nan 8.270 nan 0.000 0.437 30 S N 0.084 115.752 115.700 -0.054 0.000 2.952 30 S HA 0.028 4.499 4.470 0.001 0.000 0.238 30 S C -0.856 173.732 174.600 -0.021 0.000 0.780 30 S CA -0.108 58.070 58.200 -0.036 0.000 1.150 30 S CB 0.253 63.436 63.200 -0.029 0.000 1.320 30 S HN 0.774 nan 8.310 nan 0.000 0.540 31 D N 0.904 121.293 120.400 -0.019 0.000 2.497 31 D HA 0.050 4.691 4.640 0.001 0.000 0.256 31 D C 0.196 176.511 176.300 0.025 0.000 1.273 31 D CA -0.230 53.770 54.000 0.000 0.000 0.812 31 D CB -0.025 40.770 40.800 -0.007 0.000 1.190 31 D HN 0.442 nan 8.370 nan 0.000 0.524 32 K N 0.540 120.954 120.400 0.023 0.000 2.126 32 K HA 0.577 4.898 4.320 0.001 0.000 0.257 32 K C -0.452 176.264 176.600 0.193 0.000 1.007 32 K CA -0.670 55.672 56.287 0.092 0.000 0.928 32 K CB 1.990 34.489 32.500 -0.002 0.000 1.013 32 K HN -0.132 nan 8.250 nan 0.000 0.473 33 V N 1.017 121.138 119.914 0.344 0.000 2.851 33 V HA 0.176 4.297 4.120 0.001 0.000 0.307 33 V C -1.166 175.222 176.094 0.491 0.000 1.129 33 V CA -1.128 61.378 62.300 0.343 0.000 0.932 33 V CB 1.911 33.843 31.823 0.180 0.000 1.024 33 V HN 0.891 nan 8.190 nan 0.000 0.426 34 N N 3.163 122.027 118.700 0.274 0.000 2.426 34 N HA 0.604 5.344 4.740 0.001 0.000 0.275 34 N C -0.053 175.498 175.510 0.069 0.000 1.019 34 N CA -0.336 52.751 53.050 0.061 0.000 0.941 34 N CB 1.573 39.774 38.487 -0.477 0.000 1.123 34 N HN 0.702 nan 8.380 nan 0.000 0.486 35 L N 1.514 122.815 121.223 0.131 0.000 3.227 35 L HA 0.090 4.431 4.340 0.001 0.000 0.287 35 L C 1.867 178.810 176.870 0.123 0.000 1.161 35 L CA 0.061 54.967 54.840 0.111 0.000 1.048 35 L CB -0.142 41.981 42.059 0.106 0.000 1.541 35 L HN 0.491 nan 8.230 nan 0.000 0.590 36 S N 0.819 116.599 115.700 0.133 0.000 2.382 36 S HA -0.121 4.350 4.470 0.001 0.000 0.228 36 S C 1.024 175.703 174.600 0.131 0.000 1.027 36 S CA 0.072 58.349 58.200 0.128 0.000 0.991 36 S CB -0.502 62.769 63.200 0.118 0.000 0.823 36 S HN 0.195 nan 8.310 nan 0.000 0.469 37 I N 2.936 123.561 120.570 0.091 0.000 3.075 37 I HA 0.125 4.296 4.170 0.001 0.000 0.320 37 I C 1.213 177.428 176.117 0.164 0.000 1.211 37 I CA 0.628 61.983 61.300 0.092 0.000 1.463 37 I CB 0.346 38.420 38.000 0.125 0.000 1.308 37 I HN 0.257 nan 8.210 nan 0.000 0.553 38 G N 7.397 116.298 108.800 0.169 0.000 3.702 38 G HA2 0.419 4.379 3.960 0.001 0.000 0.288 38 G HA3 0.419 4.379 3.960 0.001 0.000 0.288 38 G C 0.037 175.076 174.900 0.232 0.000 1.193 38 G CA -0.364 44.950 45.100 0.356 0.000 0.952 38 G HN 0.483 nan 8.290 nan 0.000 0.544 39 L N -1.995 119.205 121.223 -0.039 0.000 2.242 39 L HA 0.646 4.987 4.340 0.001 0.000 0.261 39 L C -0.359 176.348 176.870 -0.273 0.000 1.052 39 L CA -1.625 53.126 54.840 -0.149 0.000 0.972 39 L CB 0.637 42.462 42.059 -0.389 0.000 1.562 39 L HN 0.024 nan 8.230 nan 0.000 0.509 40 Y N -0.437 119.641 120.300 -0.371 0.000 2.519 40 Y HA 0.560 5.111 4.550 0.001 0.000 0.324 40 Y C -1.502 174.081 175.900 -0.529 0.000 1.214 40 Y CA -0.895 56.994 58.100 -0.352 0.000 1.260 40 Y CB 1.384 39.763 38.460 -0.134 0.000 1.311 40 Y HN 0.231 nan 8.280 nan 0.000 0.505 41 Y N 2.846 122.435 120.300 -1.184 0.000 2.278 41 Y HA 0.171 4.722 4.550 0.001 0.000 0.328 41 Y C -0.392 174.958 175.900 -0.917 0.000 1.166 41 Y CA -1.550 56.099 58.100 -0.751 0.000 1.211 41 Y CB 0.470 38.692 38.460 -0.396 0.000 1.167 41 Y HN 0.748 nan 8.280 nan 0.000 0.434 42 N N 1.883 120.361 118.700 -0.371 0.000 2.344 42 N HA -0.084 4.657 4.740 0.001 0.000 0.236 42 N C 1.482 176.953 175.510 -0.065 0.000 1.279 42 N CA 0.896 53.899 53.050 -0.078 0.000 0.882 42 N CB 0.776 39.349 38.487 0.143 0.000 1.110 42 N HN 0.789 nan 8.380 nan 0.000 0.436 43 E N 1.358 121.550 120.200 -0.013 0.000 2.108 43 E HA -0.373 3.978 4.350 0.001 0.000 0.203 43 E C 0.153 176.741 176.600 -0.020 0.000 1.022 43 E CA 1.669 58.058 56.400 -0.017 0.000 0.823 43 E CB -0.335 29.370 29.700 0.009 0.000 0.744 43 E HN 0.696 nan 8.360 nan 0.000 0.456 44 D N -0.182 120.220 120.400 0.003 0.000 2.417 44 D HA -0.083 4.558 4.640 0.001 0.000 0.240 44 D C 0.922 177.211 176.300 -0.019 0.000 1.062 44 D CA 1.034 55.035 54.000 0.003 0.000 0.959 44 D CB -0.448 40.367 40.800 0.026 0.000 0.877 44 D HN 0.538 nan 8.370 nan 0.000 0.528 45 G N 1.320 110.089 108.800 -0.052 0.000 2.166 45 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 45 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 45 G C 0.330 175.174 174.900 -0.093 0.000 0.986 45 G CA 0.520 45.540 45.100 -0.133 0.000 0.683 45 G HN 0.477 nan 8.290 nan 0.000 0.527 46 I N 0.786 121.386 120.570 0.049 0.000 2.892 46 I HA 0.618 4.789 4.170 0.001 0.000 0.306 46 I C -0.127 176.120 176.117 0.216 0.000 1.078 46 I CA -1.917 59.474 61.300 0.151 0.000 1.032 46 I CB 1.620 39.679 38.000 0.098 0.000 1.229 46 I HN 0.084 nan 8.210 nan 0.000 0.435 47 I N 4.437 125.155 120.570 0.246 0.000 2.312 47 I HA 0.523 4.694 4.170 0.001 0.000 0.290 47 I C -2.580 173.671 176.117 0.222 0.000 1.008 47 I CA -1.807 59.645 61.300 0.254 0.000 1.226 47 I CB 0.140 38.275 38.000 0.225 0.000 1.371 47 I HN 0.306 nan 8.210 nan 0.000 0.468 48 P HA 0.355 nan 4.420 nan 0.000 0.285 48 P C -0.917 176.476 177.300 0.156 0.000 1.269 48 P CA -0.681 62.518 63.100 0.166 0.000 0.844 48 P CB 1.353 33.141 31.700 0.145 0.000 1.094 49 Q N 1.276 121.154 119.800 0.130 0.000 2.441 49 Q HA 0.288 4.629 4.340 0.001 0.000 0.234 49 Q C -0.531 175.536 176.000 0.110 0.000 1.078 49 Q CA -0.175 55.702 55.803 0.124 0.000 0.907 49 Q CB -1.160 27.646 28.738 0.113 0.000 1.269 49 Q HN 0.303 nan 8.270 nan 0.000 0.502 50 L N 3.956 125.246 121.223 0.111 0.000 2.769 50 L HA -0.275 4.065 4.340 0.001 0.000 0.293 50 L C 1.691 178.627 176.870 0.110 0.000 1.224 50 L CA 0.206 55.103 54.840 0.094 0.000 0.906 50 L CB 0.027 42.141 42.059 0.092 0.000 1.193 50 L HN 0.659 nan 8.230 nan 0.000 0.488 51 Q N 3.634 123.484 119.800 0.083 0.000 2.032 51 Q HA -0.415 3.926 4.340 0.001 0.000 0.217 51 Q C 2.167 178.222 176.000 0.091 0.000 1.058 51 Q CA 2.552 58.402 55.803 0.078 0.000 0.911 51 Q CB -0.797 27.980 28.738 0.063 0.000 1.045 51 Q HN 0.955 nan 8.270 nan 0.000 0.429 52 A N 0.572 123.464 122.820 0.121 0.000 1.894 52 A HA -0.271 4.050 4.320 0.001 0.000 0.220 52 A C 2.475 180.102 177.584 0.073 0.000 1.237 52 A CA 2.914 55.017 52.037 0.110 0.000 0.660 52 A CB -1.262 17.844 19.000 0.177 0.000 0.835 52 A HN 0.284 nan 8.150 nan 0.000 0.461 53 V N -0.207 119.766 119.914 0.098 0.000 2.370 53 V HA -0.336 3.785 4.120 0.001 0.000 0.252 53 V C 2.988 179.103 176.094 0.035 0.000 1.068 53 V CA 2.263 64.588 62.300 0.041 0.000 1.061 53 V CB -1.620 30.243 31.823 0.067 0.000 0.656 53 V HN 0.744 nan 8.190 nan 0.000 0.455 54 A N -0.010 122.845 122.820 0.058 0.000 1.859 54 A HA -0.340 3.981 4.320 0.001 0.000 0.218 54 A C 2.174 179.784 177.584 0.043 0.000 1.209 54 A CA 2.370 54.440 52.037 0.056 0.000 0.639 54 A CB -0.719 18.315 19.000 0.057 0.000 0.835 54 A HN 0.629 nan 8.150 nan 0.000 0.450 55 E N -0.403 119.816 120.200 0.033 0.000 2.160 55 E HA -0.136 4.215 4.350 0.001 0.000 0.195 55 E C 2.278 178.886 176.600 0.013 0.000 0.991 55 E CA 0.825 57.239 56.400 0.022 0.000 0.810 55 E CB -0.379 29.331 29.700 0.016 0.000 0.742 55 E HN 0.643 nan 8.360 nan 0.000 0.466 56 A N 1.744 124.563 122.820 -0.002 0.000 1.859 56 A HA -0.327 3.994 4.320 0.001 0.000 0.218 56 A C 1.987 179.579 177.584 0.013 0.000 1.209 56 A CA 2.171 54.192 52.037 -0.027 0.000 0.639 56 A CB -0.683 18.270 19.000 -0.079 0.000 0.835 56 A HN 0.181 nan 8.150 nan 0.000 0.450 57 E N -0.306 119.929 120.200 0.058 0.000 2.204 57 E HA 0.065 4.416 4.350 0.001 0.000 0.194 57 E C 2.005 178.657 176.600 0.086 0.000 0.989 57 E CA 0.942 57.422 56.400 0.134 0.000 0.824 57 E CB -0.298 29.520 29.700 0.198 0.000 0.756 57 E HN 0.623 nan 8.360 nan 0.000 0.477 58 A N 0.457 123.310 122.820 0.056 0.000 2.119 58 A HA -0.034 4.287 4.320 0.001 0.000 0.217 58 A C 1.771 179.374 177.584 0.031 0.000 1.153 58 A CA 0.964 53.025 52.037 0.040 0.000 0.692 58 A CB 0.038 19.058 19.000 0.033 0.000 0.799 58 A HN -0.006 nan 8.150 nan 0.000 0.458 59 R N -1.379 119.137 120.500 0.027 0.000 2.404 59 R HA 0.351 4.692 4.340 0.001 0.000 0.237 59 R C 1.372 177.683 176.300 0.018 0.000 0.907 59 R CA -0.084 56.025 56.100 0.016 0.000 1.063 59 R CB 0.149 30.451 30.300 0.003 0.000 1.134 59 R HN 0.308 nan 8.270 nan 0.000 0.529 60 L N 0.382 121.628 121.223 0.038 0.000 2.375 60 L HA 0.149 4.489 4.340 0.001 0.000 0.215 60 L C 1.156 178.056 176.870 0.049 0.000 1.108 60 L CA 1.456 56.327 54.840 0.052 0.000 0.830 60 L CB -0.242 41.901 42.059 0.141 0.000 0.959 60 L HN 0.344 nan 8.230 nan 0.000 0.457 61 N N -0.819 117.909 118.700 0.047 0.000 2.368 61 N HA -0.001 4.740 4.740 0.001 0.000 0.178 61 N C 1.632 177.158 175.510 0.027 0.000 1.076 61 N CA 0.670 53.739 53.050 0.032 0.000 0.889 61 N CB 0.844 39.348 38.487 0.028 0.000 1.040 61 N HN 0.193 nan 8.380 nan 0.000 0.463 62 A N 0.013 122.848 122.820 0.026 0.000 2.016 62 A HA -0.025 4.296 4.320 0.001 0.000 0.217 62 A C 1.341 178.937 177.584 0.020 0.000 1.162 62 A CA 0.996 53.045 52.037 0.020 0.000 0.662 62 A CB 0.046 19.057 19.000 0.018 0.000 0.812 62 A HN 0.217 nan 8.150 nan 0.000 0.450 63 Q N 0.609 120.421 119.800 0.020 0.000 2.815 63 Q HA 0.314 4.655 4.340 0.001 0.000 0.329 63 Q C -2.828 173.193 176.000 0.034 0.000 1.037 63 Q CA -3.159 52.657 55.803 0.021 0.000 1.002 63 Q CB -0.207 28.537 28.738 0.011 0.000 1.274 63 Q HN 0.161 nan 8.270 nan 0.000 0.452 64 P HA -0.097 nan 4.420 nan 0.000 0.257 64 P C 0.385 177.756 177.300 0.118 0.000 1.162 64 P CA 0.372 63.512 63.100 0.067 0.000 0.762 64 P CB 0.534 32.263 31.700 0.048 0.000 0.753 65 H N 3.627 122.706 119.070 0.015 0.000 3.546 65 H HA -0.087 4.470 4.556 0.001 0.000 0.302 65 H C 1.403 176.739 175.328 0.013 0.000 0.982 65 H CA 2.394 58.452 56.048 0.018 0.000 0.957 65 H CB -0.599 29.174 29.762 0.017 0.000 1.721 65 H HN 0.591 nan 8.280 nan 0.000 1.052 66 G N -2.006 106.804 108.800 0.016 0.000 2.370 66 G HA2 0.466 4.426 3.960 0.001 0.000 0.225 66 G HA3 0.466 4.426 3.960 0.001 0.000 0.225 66 G C -0.675 174.103 174.900 -0.203 0.000 1.109 66 G CA 0.247 45.304 45.100 -0.071 0.000 0.871 66 G HN 1.303 nan 8.290 nan 0.000 0.498 67 A N -0.914 121.754 122.820 -0.253 0.000 2.434 67 A HA 0.471 4.792 4.320 0.001 0.000 0.686 67 A C 0.679 178.015 177.584 -0.413 0.000 0.139 67 A CA 0.757 52.651 52.037 -0.238 0.000 0.028 67 A CB -1.373 17.541 19.000 -0.144 0.000 3.972 67 A HN 2.176 nan 8.150 nan 0.000 0.548 68 S N 3.556 119.142 115.700 -0.191 0.000 2.870 68 S HA 0.321 4.791 4.470 0.001 0.000 0.334 68 S C 0.548 175.128 174.600 -0.034 0.000 1.115 68 S CA 0.376 58.557 58.200 -0.030 0.000 1.570 68 S CB -1.289 61.951 63.200 0.067 0.000 1.405 68 S HN 1.020 nan 8.310 nan 0.000 0.605 69 L N 4.829 126.018 121.223 -0.056 0.000 2.439 69 L HA 0.316 4.656 4.340 0.001 0.000 0.269 69 L C 1.095 178.043 176.870 0.130 0.000 1.179 69 L CA -0.945 53.918 54.840 0.038 0.000 0.828 69 L CB 0.094 42.165 42.059 0.021 0.000 1.106 69 L HN 0.512 nan 8.230 nan 0.000 0.467 70 Y N 1.784 122.092 120.300 0.013 0.000 2.280 70 Y HA -0.075 4.475 4.550 0.001 0.000 0.358 70 Y C 0.413 176.332 175.900 0.033 0.000 1.238 70 Y CA 0.931 59.045 58.100 0.023 0.000 1.513 70 Y CB 0.292 38.759 38.460 0.012 0.000 1.308 70 Y HN 0.341 nan 8.280 nan 0.000 0.745 71 L N 1.798 123.210 121.223 0.314 0.000 2.424 71 L HA 0.375 4.716 4.340 0.001 0.000 0.258 71 L C -2.439 174.541 176.870 0.182 0.000 0.995 71 L CA -2.140 52.806 54.840 0.176 0.000 0.821 71 L CB 2.520 44.630 42.059 0.086 0.000 1.383 71 L HN 0.432 nan 8.230 nan 0.000 0.410 72 P HA 0.135 nan 4.420 nan 0.000 0.271 72 P C 0.318 177.652 177.300 0.058 0.000 1.216 72 P CA -0.327 62.812 63.100 0.065 0.000 0.776 72 P CB 0.744 32.465 31.700 0.036 0.000 0.881 73 M N 0.775 120.396 119.600 0.035 0.000 2.771 73 M HA -0.148 4.333 4.480 0.001 0.000 0.246 73 M C 1.596 177.891 176.300 -0.009 0.000 1.054 73 M CA 1.328 56.628 55.300 -0.000 0.000 1.068 73 M CB -0.462 32.118 32.600 -0.033 0.000 1.452 73 M HN 0.520 nan 8.290 nan 0.000 0.549 74 E N -0.683 119.522 120.200 0.009 0.000 2.330 74 E HA 0.088 4.439 4.350 0.001 0.000 0.200 74 E C 1.368 177.980 176.600 0.019 0.000 0.922 74 E CA 1.027 57.431 56.400 0.008 0.000 0.935 74 E CB 0.737 30.434 29.700 -0.004 0.000 0.917 74 E HN 0.452 nan 8.360 nan 0.000 0.491 75 G N 1.093 109.901 108.800 0.015 0.000 2.698 75 G HA2 -0.133 3.828 3.960 0.001 0.000 0.200 75 G HA3 -0.133 3.828 3.960 0.001 0.000 0.200 75 G C -0.510 174.367 174.900 -0.037 0.000 2.083 75 G CA -0.036 45.047 45.100 -0.029 0.000 1.629 75 G HN 0.352 nan 8.290 nan 0.000 0.565 76 L N 0.060 121.280 121.223 -0.004 0.000 2.703 76 L HA 0.607 4.948 4.340 0.001 0.000 0.257 76 L C 0.183 177.100 176.870 0.078 0.000 0.923 76 L CA 0.056 54.920 54.840 0.040 0.000 0.936 76 L CB 1.067 43.150 42.059 0.040 0.000 1.482 76 L HN 0.307 nan 8.230 nan 0.000 0.432 77 N N 1.538 120.268 118.700 0.050 0.000 2.290 77 N HA -0.078 4.663 4.740 0.001 0.000 0.179 77 N C 1.054 176.621 175.510 0.095 0.000 1.016 77 N CA 1.330 54.396 53.050 0.027 0.000 0.871 77 N CB 0.265 38.782 38.487 0.050 0.000 0.987 77 N HN 0.816 nan 8.380 nan 0.000 0.431 78 C N 0.276 119.634 119.300 0.097 0.000 2.437 78 C HA -0.048 4.413 4.460 0.001 0.000 0.283 78 C C 2.192 177.226 174.990 0.073 0.000 1.424 78 C CA 0.250 59.315 59.018 0.078 0.000 1.782 78 C CB -1.407 26.361 27.740 0.047 0.000 1.833 78 C HN 0.464 nan 8.230 nan 0.000 0.532 79 Y N 0.906 121.184 120.300 -0.036 0.000 2.254 79 Y HA 0.071 4.622 4.550 0.001 0.000 0.274 79 Y C 2.731 178.608 175.900 -0.039 0.000 1.093 79 Y CA 1.338 59.401 58.100 -0.063 0.000 1.105 79 Y CB -0.722 37.702 38.460 -0.060 0.000 1.041 79 Y HN -0.015 nan 8.280 nan 0.000 0.489 80 R N 0.426 121.044 120.500 0.198 0.000 2.165 80 R HA -0.277 4.064 4.340 0.001 0.000 0.254 80 R C 0.052 176.344 176.300 -0.013 0.000 1.153 80 R CA 2.251 58.388 56.100 0.063 0.000 0.971 80 R CB -1.272 29.001 30.300 -0.045 0.000 0.878 80 R HN 0.564 nan 8.270 nan 0.000 0.449 81 H N -1.016 118.058 119.070 0.008 0.000 2.970 81 H HA 0.256 4.813 4.556 0.001 0.000 0.226 81 H C 0.568 175.849 175.328 -0.079 0.000 1.909 81 H CA -0.005 56.031 56.048 -0.021 0.000 1.388 81 H CB 0.439 30.195 29.762 -0.010 0.000 1.773 81 H HN 0.491 nan 8.280 nan 0.000 0.559 82 A N 1.215 124.036 122.820 0.001 0.000 2.076 82 A HA -0.021 4.299 4.320 0.001 0.000 0.163 82 A C 1.383 178.882 177.584 -0.141 0.000 2.134 82 A CA -0.266 51.702 52.037 -0.116 0.000 1.550 82 A CB -0.496 18.361 19.000 -0.239 0.000 1.518 82 A HN 0.374 nan 8.150 nan 0.000 0.301 83 I N 1.087 121.577 120.570 -0.132 0.000 2.060 83 I HA -0.179 3.992 4.170 0.001 0.000 0.233 83 I C 2.973 179.081 176.117 -0.016 0.000 1.054 83 I CA 1.588 62.847 61.300 -0.069 0.000 1.318 83 I CB -0.545 37.480 38.000 0.042 0.000 1.054 83 I HN 0.365 nan 8.210 nan 0.000 0.395 84 A N 1.662 124.515 122.820 0.056 0.000 1.896 84 A HA -0.191 4.130 4.320 0.001 0.000 0.220 84 A C -0.208 177.445 177.584 0.115 0.000 1.206 84 A CA 2.438 54.563 52.037 0.147 0.000 0.647 84 A CB -2.424 16.736 19.000 0.266 0.000 0.828 84 A HN 0.387 nan 8.150 nan 0.000 0.455 85 P HA -0.064 nan 4.420 nan 0.000 0.234 85 P C 0.838 178.131 177.300 -0.013 0.000 1.162 85 P CA 0.873 63.998 63.100 0.042 0.000 0.759 85 P CB -0.099 31.610 31.700 0.015 0.000 0.813 86 L N -1.841 119.351 121.223 -0.052 0.000 2.515 86 L HA 0.127 4.468 4.340 0.001 0.000 0.202 86 L C 2.511 179.308 176.870 -0.121 0.000 1.056 86 L CA 0.303 55.096 54.840 -0.078 0.000 0.847 86 L CB -0.711 41.294 42.059 -0.089 0.000 1.131 86 L HN -0.163 nan 8.230 nan 0.000 0.484 87 L N -1.487 119.609 121.223 -0.211 0.000 2.156 87 L HA -0.018 4.323 4.340 0.001 0.000 0.208 87 L C 0.897 177.464 176.870 -0.505 0.000 1.095 87 L CA 1.119 55.719 54.840 -0.400 0.000 0.770 87 L CB -0.467 41.230 42.059 -0.603 0.000 0.914 87 L HN 0.088 nan 8.230 nan 0.000 0.439 88 F N 1.708 121.560 119.950 -0.163 0.000 2.975 88 F HA 0.541 5.069 4.527 0.001 0.000 0.311 88 F C 1.433 177.044 175.800 -0.315 0.000 1.239 88 F CA -0.716 57.095 58.000 -0.315 0.000 1.282 88 F CB -0.565 38.312 39.000 -0.205 0.000 1.071 88 F HN 0.128 nan 8.300 nan 0.000 0.516 89 G N 1.055 109.795 108.800 -0.099 0.000 2.707 89 G HA2 -0.161 3.799 3.960 0.001 0.000 0.279 89 G HA3 -0.161 3.799 3.960 0.001 0.000 0.279 89 G C 1.116 176.028 174.900 0.020 0.000 1.345 89 G CA 0.018 45.094 45.100 -0.040 0.000 0.912 89 G HN 0.633 nan 8.290 nan 0.000 0.563 90 A N -0.664 122.177 122.820 0.036 0.000 1.832 90 A HA 0.313 4.634 4.320 0.001 0.000 0.214 90 A C 1.060 178.678 177.584 0.058 0.000 1.204 90 A CA 2.303 54.361 52.037 0.035 0.000 0.606 90 A CB -0.206 18.809 19.000 0.025 0.000 0.849 90 A HN 0.900 nan 8.150 nan 0.000 0.445 91 D N -1.120 119.329 120.400 0.082 0.000 2.462 91 D HA 0.548 5.188 4.640 0.001 0.000 0.245 91 D C -0.861 175.527 176.300 0.146 0.000 1.122 91 D CA -0.137 53.912 54.000 0.082 0.000 0.864 91 D CB 1.048 41.870 40.800 0.037 0.000 1.098 91 D HN 0.382 nan 8.370 nan 0.000 0.541 92 H N 1.218 120.279 119.070 -0.016 0.000 2.670 92 H HA 0.356 4.913 4.556 0.001 0.000 0.361 92 H C -1.590 173.691 175.328 -0.079 0.000 1.169 92 H CA -2.115 53.905 56.048 -0.047 0.000 1.198 92 H CB 1.806 31.537 29.762 -0.052 0.000 1.700 92 H HN 0.101 nan 8.280 nan 0.000 0.542 93 P HA -0.176 nan 4.420 nan 0.000 0.215 93 P C 1.232 178.457 177.300 -0.125 0.000 1.157 93 P CA 1.884 64.881 63.100 -0.171 0.000 0.868 93 P CB 0.035 31.602 31.700 -0.222 0.000 0.788 94 V N -2.164 117.655 119.914 -0.158 0.000 2.688 94 V HA -0.201 3.919 4.120 0.001 0.000 0.256 94 V C 2.506 178.514 176.094 -0.144 0.000 1.084 94 V CA 1.316 63.498 62.300 -0.196 0.000 1.103 94 V CB -1.865 29.720 31.823 -0.397 0.000 0.688 94 V HN -0.054 nan 8.190 nan 0.000 0.480 95 L N 0.992 122.172 121.223 -0.071 0.000 1.973 95 L HA -0.044 4.297 4.340 0.001 0.000 0.208 95 L C 2.574 179.440 176.870 -0.007 0.000 1.073 95 L CA 1.951 56.789 54.840 -0.004 0.000 0.746 95 L CB -0.947 41.145 42.059 0.055 0.000 0.891 95 L HN 0.292 nan 8.230 nan 0.000 0.433 96 K N -0.738 119.652 120.400 -0.017 0.000 2.288 96 K HA -0.088 4.232 4.320 0.001 0.000 0.201 96 K C 1.828 178.412 176.600 -0.026 0.000 1.048 96 K CA 0.698 56.973 56.287 -0.020 0.000 0.956 96 K CB -0.292 32.193 32.500 -0.025 0.000 0.746 96 K HN 0.521 nan 8.250 nan 0.000 0.461 97 Q N 0.967 120.742 119.800 -0.042 0.000 2.444 97 Q HA -0.005 4.335 4.340 0.001 0.000 0.206 97 Q C -0.400 175.579 176.000 -0.036 0.000 0.948 97 Q CA -0.057 55.719 55.803 -0.045 0.000 0.946 97 Q CB 0.010 28.710 28.738 -0.064 0.000 1.027 97 Q HN 0.269 nan 8.270 nan 0.000 0.513 98 Q N 0.289 120.074 119.800 -0.025 0.000 2.372 98 Q HA -0.239 4.102 4.340 0.001 0.000 0.333 98 Q C 0.174 176.164 176.000 -0.016 0.000 1.285 98 Q CA 0.843 56.642 55.803 -0.006 0.000 0.983 98 Q CB -1.097 27.650 28.738 0.014 0.000 1.229 98 Q HN 0.460 nan 8.270 nan 0.000 0.442 99 R N -0.829 119.646 120.500 -0.041 0.000 2.427 99 R HA 0.184 4.524 4.340 0.001 0.000 0.262 99 R C 0.237 176.515 176.300 -0.037 0.000 0.943 99 R CA 0.261 56.337 56.100 -0.040 0.000 1.081 99 R CB 0.225 30.492 30.300 -0.055 0.000 1.166 99 R HN 0.165 nan 8.270 nan 0.000 0.534 100 V N -0.992 118.907 119.914 -0.026 0.000 2.277 100 V HA 0.639 4.760 4.120 0.001 0.000 0.269 100 V C 0.363 176.481 176.094 0.040 0.000 1.036 100 V CA -1.237 61.071 62.300 0.014 0.000 0.821 100 V CB 0.865 32.711 31.823 0.039 0.000 1.052 100 V HN 0.207 nan 8.190 nan 0.000 0.462 101 A N 3.986 126.824 122.820 0.029 0.000 2.457 101 A HA 0.548 4.869 4.320 0.001 0.000 0.298 101 A C 0.758 178.363 177.584 0.034 0.000 1.288 101 A CA -0.028 52.019 52.037 0.016 0.000 0.956 101 A CB -0.555 18.443 19.000 -0.003 0.000 1.135 101 A HN 0.901 nan 8.150 nan 0.000 0.535 102 T N 3.384 117.959 114.554 0.035 0.000 2.762 102 T HA 0.465 4.816 4.350 0.001 0.000 0.303 102 T C -0.179 174.549 174.700 0.047 0.000 0.977 102 T CA -0.050 62.083 62.100 0.056 0.000 0.961 102 T CB 0.046 68.957 68.868 0.071 0.000 0.944 102 T HN 0.685 nan 8.240 nan 0.000 0.481 103 I N 1.676 122.281 120.570 0.059 0.000 2.465 103 I HA 0.412 4.583 4.170 0.001 0.000 0.291 103 I C -0.221 175.957 176.117 0.100 0.000 1.014 103 I CA -0.823 60.514 61.300 0.062 0.000 1.093 103 I CB 1.866 39.886 38.000 0.033 0.000 1.267 103 I HN 0.515 nan 8.210 nan 0.000 0.431 104 Q N 6.020 125.890 119.800 0.117 0.000 2.293 104 Q HA 0.343 4.684 4.340 0.001 0.000 0.263 104 Q C -0.901 175.145 176.000 0.075 0.000 1.002 104 Q CA -0.144 55.736 55.803 0.128 0.000 0.910 104 Q CB 0.689 29.437 28.738 0.016 0.000 1.185 104 Q HN 0.886 nan 8.270 nan 0.000 0.401 105 T N 1.533 116.126 114.554 0.065 0.000 2.893 105 T HA 0.468 4.819 4.350 0.001 0.000 0.279 105 T C 0.177 174.870 174.700 -0.011 0.000 0.991 105 T CA -0.861 61.274 62.100 0.058 0.000 0.950 105 T CB 0.521 69.423 68.868 0.057 0.000 1.223 105 T HN 0.554 nan 8.240 nan 0.000 0.585 106 L N 1.932 123.124 121.223 -0.053 0.000 2.328 106 L HA 0.542 4.883 4.340 0.001 0.000 0.280 106 L C 1.210 178.056 176.870 -0.041 0.000 1.111 106 L CA 0.044 54.831 54.840 -0.087 0.000 0.909 106 L CB -0.563 41.386 42.059 -0.183 0.000 1.277 106 L HN 1.155 nan 8.230 nan 0.000 0.433 107 G N 1.736 110.513 108.800 -0.039 0.000 2.955 107 G HA2 -0.174 3.787 3.960 0.001 0.000 0.604 107 G HA3 -0.174 3.787 3.960 0.001 0.000 0.604 107 G C 0.933 175.778 174.900 -0.092 0.000 1.572 107 G CA -0.310 44.753 45.100 -0.062 0.000 1.016 107 G HN 0.829 nan 8.290 nan 0.000 0.569 108 G N 0.174 108.888 108.800 -0.143 0.000 2.624 108 G HA2 -0.186 3.775 3.960 0.001 0.000 0.221 108 G HA3 -0.186 3.775 3.960 0.001 0.000 0.221 108 G C 2.253 177.158 174.900 0.008 0.000 1.169 108 G CA 2.278 47.311 45.100 -0.111 0.000 0.771 108 G HN 1.548 nan 8.290 nan 0.000 0.598 109 S N 0.780 116.517 115.700 0.062 0.000 2.380 109 S HA -0.189 4.281 4.470 0.001 0.000 0.229 109 S C 2.544 177.206 174.600 0.104 0.000 1.050 109 S CA 1.706 60.002 58.200 0.160 0.000 1.100 109 S CB -1.113 62.208 63.200 0.203 0.000 0.984 109 S HN 0.679 nan 8.310 nan 0.000 0.434 110 G N 1.385 110.220 108.800 0.058 0.000 2.505 110 G HA2 -0.148 3.813 3.960 0.001 0.000 0.220 110 G HA3 -0.148 3.813 3.960 0.001 0.000 0.220 110 G C 1.510 176.462 174.900 0.087 0.000 1.145 110 G CA 1.305 46.435 45.100 0.051 0.000 0.761 110 G HN 0.631 nan 8.290 nan 0.000 0.571 111 A N 0.827 123.691 122.820 0.072 0.000 1.828 111 A HA 0.040 4.361 4.320 0.001 0.000 0.215 111 A C 2.433 180.128 177.584 0.185 0.000 1.203 111 A CA 1.606 53.710 52.037 0.112 0.000 0.614 111 A CB -0.757 18.287 19.000 0.073 0.000 0.844 111 A HN 0.337 nan 8.150 nan 0.000 0.445 112 L N -0.202 121.134 121.223 0.189 0.000 2.064 112 L HA -0.310 4.031 4.340 0.001 0.000 0.216 112 L C 2.499 179.359 176.870 -0.017 0.000 1.077 112 L CA 2.161 57.098 54.840 0.161 0.000 0.766 112 L CB -0.630 41.518 42.059 0.148 0.000 0.890 112 L HN 0.468 nan 8.230 nan 0.000 0.435 113 K N 0.468 120.877 120.400 0.014 0.000 1.969 113 K HA -0.168 4.152 4.320 0.001 0.000 0.223 113 K C 1.869 178.472 176.600 0.005 0.000 1.048 113 K CA 2.473 58.740 56.287 -0.034 0.000 0.983 113 K CB -0.961 31.565 32.500 0.043 0.000 0.738 113 K HN 0.082 nan 8.250 nan 0.000 0.446 114 V N 0.742 120.714 119.914 0.097 0.000 2.278 114 V HA -0.239 3.881 4.120 0.001 0.000 0.251 114 V C 2.425 178.651 176.094 0.219 0.000 1.062 114 V CA 2.306 64.692 62.300 0.142 0.000 1.038 114 V CB -1.838 30.068 31.823 0.139 0.000 0.646 114 V HN 0.605 nan 8.190 nan 0.000 0.447 115 G N -0.092 108.853 108.800 0.243 0.000 2.556 115 G HA2 -0.304 3.657 3.960 0.001 0.000 0.220 115 G HA3 -0.304 3.657 3.960 0.001 0.000 0.220 115 G C 1.679 176.776 174.900 0.328 0.000 1.156 115 G CA 1.804 47.112 45.100 0.347 0.000 0.766 115 G HN 0.747 nan 8.290 nan 0.000 0.583 116 A N 0.302 123.200 122.820 0.131 0.000 1.878 116 A HA 0.117 4.438 4.320 0.001 0.000 0.213 116 A C 2.044 179.708 177.584 0.134 0.000 1.192 116 A CA 1.708 53.749 52.037 0.007 0.000 0.619 116 A CB -0.440 18.154 19.000 -0.675 0.000 0.837 116 A HN 0.276 nan 8.150 nan 0.000 0.446 117 D N -1.438 119.001 120.400 0.064 0.000 2.315 117 D HA -0.160 4.481 4.640 0.001 0.000 0.211 117 D C 1.294 177.700 176.300 0.176 0.000 0.977 117 D CA 1.430 55.476 54.000 0.076 0.000 0.894 117 D CB -0.127 40.709 40.800 0.060 0.000 0.910 117 D HN 0.472 nan 8.370 nan 0.000 0.490 118 F N 0.029 120.043 119.950 0.108 0.000 2.315 118 F HA 0.160 4.688 4.527 0.001 0.000 0.284 118 F C 1.611 177.572 175.800 0.269 0.000 1.049 118 F CA 0.424 58.516 58.000 0.152 0.000 1.323 118 F CB -0.717 38.379 39.000 0.161 0.000 1.113 118 F HN -0.140 nan 8.300 nan 0.000 0.544 119 L N 0.864 121.904 121.223 -0.306 0.000 2.197 119 L HA -0.250 4.091 4.340 0.001 0.000 0.215 119 L C 2.416 179.442 176.870 0.260 0.000 1.095 119 L CA 1.333 56.063 54.840 -0.184 0.000 0.764 119 L CB -0.877 41.185 42.059 0.006 0.000 0.897 119 L HN 0.095 nan 8.230 nan 0.000 0.436 120 K N 0.165 120.663 120.400 0.164 0.000 2.228 120 K HA -0.037 4.284 4.320 0.001 0.000 0.202 120 K C 2.150 178.717 176.600 -0.055 0.000 1.051 120 K CA 0.880 57.139 56.287 -0.047 0.000 0.960 120 K CB -0.023 32.296 32.500 -0.302 0.000 0.743 120 K HN 0.316 nan 8.250 nan 0.000 0.458 121 R N -0.891 119.596 120.500 -0.022 0.000 2.152 121 R HA -0.129 4.212 4.340 0.001 0.000 0.232 121 R C 0.995 176.978 176.300 -0.529 0.000 1.117 121 R CA 1.319 57.291 56.100 -0.213 0.000 0.981 121 R CB 0.074 30.347 30.300 -0.045 0.000 0.870 121 R HN 0.227 nan 8.270 nan 0.000 0.451 122 Y N -2.865 117.438 120.300 0.004 0.000 2.437 122 Y HA 0.191 4.742 4.550 0.001 0.000 0.266 122 Y C -0.057 175.504 175.900 -0.565 0.000 1.077 122 Y CA -0.367 57.563 58.100 -0.283 0.000 1.235 122 Y CB 0.877 39.105 38.460 -0.387 0.000 1.303 122 Y HN -0.159 nan 8.280 nan 0.000 0.536 123 F N 1.465 121.481 119.950 0.111 0.000 2.597 123 F HA 0.420 4.948 4.527 0.001 0.000 0.336 123 F C -1.995 173.896 175.800 0.150 0.000 1.432 123 F CA -2.580 55.500 58.000 0.132 0.000 1.120 123 F CB 0.538 39.619 39.000 0.136 0.000 1.253 123 F HN -0.149 nan 8.300 nan 0.000 0.546 124 P HA -0.094 nan 4.420 nan 0.000 0.234 124 P C 0.792 178.165 177.300 0.121 0.000 1.167 124 P CA 1.200 64.332 63.100 0.054 0.000 0.763 124 P CB 0.519 32.202 31.700 -0.029 0.000 0.835 125 E N -0.308 120.006 120.200 0.191 0.000 2.251 125 E HA 0.080 4.431 4.350 0.001 0.000 0.194 125 E C 0.550 177.299 176.600 0.249 0.000 0.964 125 E CA 0.370 56.880 56.400 0.184 0.000 0.868 125 E CB -0.256 29.530 29.700 0.144 0.000 0.828 125 E HN 0.150 nan 8.360 nan 0.000 0.481 126 S N 1.767 117.666 115.700 0.330 0.000 2.443 126 S HA 0.350 4.821 4.470 0.001 0.000 0.284 126 S C 0.501 175.284 174.600 0.305 0.000 1.206 126 S CA -0.112 58.271 58.200 0.304 0.000 1.074 126 S CB 0.914 64.283 63.200 0.281 0.000 0.963 126 S HN 0.220 nan 8.310 nan 0.000 0.501 134 W N 0.145 121.443 121.300 -0.002 0.000 3.439 134 W HA 0.788 5.449 4.660 0.001 0.000 0.323 134 W C -0.911 175.738 176.519 0.216 0.000 1.174 134 W CA -0.614 56.807 57.345 0.127 0.000 1.224 134 W CB 2.030 31.608 29.460 0.196 0.000 1.348 134 W HN 0.546 nan 8.180 nan 0.000 0.498 135 V N 0.402 120.487 119.914 0.285 0.000 3.001 135 V HA 0.660 4.780 4.120 0.001 0.000 0.314 135 V C 0.313 176.015 176.094 -0.653 0.000 1.099 135 V CA -1.429 60.874 62.300 0.005 0.000 0.989 135 V CB 1.190 32.961 31.823 -0.087 0.000 1.040 135 V HN 0.524 nan 8.190 nan 0.000 0.434 136 S N 0.951 116.136 115.700 -0.860 0.000 2.564 136 S HA 0.054 4.524 4.470 0.001 0.000 0.263 136 S C -0.111 174.229 174.600 -0.433 0.000 1.378 136 S CA 0.154 57.793 58.200 -0.935 0.000 0.996 136 S CB 0.050 63.045 63.200 -0.341 0.000 0.881 136 S HN 0.940 nan 8.310 nan 0.000 0.555 137 D N 1.741 122.049 120.400 -0.153 0.000 2.456 137 D HA 0.434 5.075 4.640 0.001 0.000 0.287 137 D C -2.181 174.167 176.300 0.081 0.000 1.186 137 D CA -1.829 52.172 54.000 0.001 0.000 0.916 137 D CB 0.699 41.558 40.800 0.099 0.000 1.029 137 D HN 0.225 nan 8.370 nan 0.000 0.498 138 P HA 0.544 nan 4.420 nan 0.000 0.346 138 P C -0.611 176.485 177.300 -0.340 0.000 1.263 138 P CA -0.356 62.630 63.100 -0.190 0.000 0.777 138 P CB 1.845 33.447 31.700 -0.164 0.000 1.541 139 T N -2.562 111.788 114.554 -0.339 0.000 2.893 139 T HA 0.269 4.620 4.350 0.001 0.000 0.337 139 T C -1.932 172.562 174.700 -0.343 0.000 1.587 139 T CA -0.322 61.535 62.100 -0.405 0.000 1.066 139 T CB -0.103 68.630 68.868 -0.224 0.000 1.414 139 T HN 0.389 nan 8.240 nan 0.000 0.488 140 W N 3.599 124.504 121.300 -0.659 0.000 2.705 140 W HA -0.097 4.564 4.660 0.001 0.000 0.313 140 W C 1.413 177.775 176.519 -0.261 0.000 0.884 140 W CA 0.884 57.930 57.345 -0.500 0.000 1.041 140 W CB 0.047 29.181 29.460 -0.543 0.000 1.066 140 W HN 0.921 nan 8.180 nan 0.000 0.529 141 E N 3.057 122.889 120.200 -0.614 0.000 1.998 141 E HA -0.399 3.952 4.350 0.001 0.000 0.221 141 E C 1.882 178.092 176.600 -0.649 0.000 1.018 141 E CA 2.412 58.465 56.400 -0.579 0.000 0.891 141 E CB -0.468 28.892 29.700 -0.565 0.000 0.807 141 E HN 0.699 nan 8.360 nan 0.000 0.523 142 N N -0.318 117.719 118.700 -1.105 0.000 2.187 142 N HA -0.260 4.480 4.740 0.001 0.000 0.194 142 N C 1.797 177.080 175.510 -0.378 0.000 1.002 142 N CA 0.736 53.287 53.050 -0.832 0.000 0.882 142 N CB -0.456 37.273 38.487 -1.264 0.000 1.003 142 N HN 0.316 nan 8.380 nan 0.000 0.443 143 H N 0.695 119.522 119.070 -0.405 0.000 2.275 143 H HA -0.217 4.340 4.556 0.001 0.000 0.287 143 H C 2.171 177.448 175.328 -0.085 0.000 1.097 143 H CA 2.020 58.043 56.048 -0.041 0.000 1.169 143 H CB -0.242 29.504 29.762 -0.027 0.000 1.349 143 H HN 0.014 nan 8.280 nan 0.000 0.501 144 V N 0.763 120.673 119.914 -0.006 0.000 2.223 144 V HA -0.391 3.730 4.120 0.001 0.000 0.246 144 V C 2.648 178.789 176.094 0.078 0.000 1.045 144 V CA 1.955 64.241 62.300 -0.024 0.000 1.004 144 V CB -1.434 30.363 31.823 -0.043 0.000 0.641 144 V HN 0.754 nan 8.190 nan 0.000 0.457 145 A N 0.732 123.571 122.820 0.032 0.000 2.250 145 A HA -0.412 3.909 4.320 0.001 0.000 0.259 145 A C 1.949 179.603 177.584 0.118 0.000 2.387 145 A CA 3.596 55.665 52.037 0.054 0.000 0.996 145 A CB -1.426 17.572 19.000 -0.004 0.000 0.701 145 A HN 0.669 nan 8.150 nan 0.000 0.499 146 I N -1.907 118.737 120.570 0.122 0.000 2.141 146 I HA -0.387 3.784 4.170 0.001 0.000 0.243 146 I C 2.295 178.478 176.117 0.110 0.000 1.035 146 I CA 2.563 63.925 61.300 0.104 0.000 1.302 146 I CB -0.882 37.175 38.000 0.095 0.000 1.006 146 I HN 0.429 nan 8.210 nan 0.000 0.413 147 F N 1.120 121.094 119.950 0.040 0.000 2.031 147 F HA -0.151 4.377 4.527 0.001 0.000 0.295 147 F C 2.654 178.587 175.800 0.222 0.000 1.133 147 F CA 1.619 59.700 58.000 0.136 0.000 1.188 147 F CB -1.139 37.864 39.000 0.005 0.000 0.974 147 F HN 0.023 nan 8.300 nan 0.000 0.473 148 A N -0.199 122.819 122.820 0.331 0.000 2.216 148 A HA 0.098 4.419 4.320 0.001 0.000 0.214 148 A C 2.184 179.838 177.584 0.118 0.000 1.160 148 A CA 1.220 53.381 52.037 0.207 0.000 0.725 148 A CB -1.449 17.627 19.000 0.127 0.000 0.784 148 A HN 0.390 nan 8.150 nan 0.000 0.472 149 G N -1.974 106.894 108.800 0.113 0.000 3.383 149 G HA2 0.391 4.352 3.960 0.001 0.000 0.251 149 G HA3 0.391 4.352 3.960 0.001 0.000 0.251 149 G C 0.700 175.607 174.900 0.012 0.000 1.203 149 G CA 0.760 45.891 45.100 0.051 0.000 0.852 149 G HN 0.709 nan 8.290 nan 0.000 0.531 150 A N -1.393 121.429 122.820 0.003 0.000 2.474 150 A HA 0.573 4.894 4.320 0.001 0.000 0.221 150 A C 1.401 178.865 177.584 -0.199 0.000 1.298 150 A CA 0.981 52.968 52.037 -0.084 0.000 1.008 150 A CB 0.334 19.293 19.000 -0.068 0.000 1.217 150 A HN 1.447 nan 8.150 nan 0.000 0.553 151 G N -0.915 107.796 108.800 -0.148 0.000 2.181 151 G HA2 -0.091 3.869 3.960 0.001 0.000 0.152 151 G HA3 -0.091 3.869 3.960 0.001 0.000 0.152 151 G C -0.287 174.466 174.900 -0.245 0.000 1.026 151 G CA -0.166 44.821 45.100 -0.188 0.000 0.699 151 G HN 0.226 nan 8.290 nan 0.000 0.497 155 V N 1.175 121.064 119.914 -0.042 0.000 2.814 155 V HA -0.111 4.010 4.120 0.001 0.000 0.298 155 V C 0.935 176.844 176.094 -0.308 0.000 1.195 155 V CA 1.180 63.379 62.300 -0.168 0.000 1.323 155 V CB 0.328 32.118 31.823 -0.056 0.000 0.842 155 V HN 0.213 nan 8.190 nan 0.000 0.494 156 S N 2.111 117.497 115.700 -0.522 0.000 2.810 156 S HA 0.797 5.268 4.470 0.001 0.000 0.315 156 S C -0.108 174.378 174.600 -0.191 0.000 1.138 156 S CA 0.019 57.878 58.200 -0.568 0.000 0.889 156 S CB 2.183 64.499 63.200 -1.473 0.000 1.236 156 S HN 1.112 nan 8.310 nan 0.000 0.548 157 T N 0.877 115.450 114.554 0.032 0.000 2.829 157 T HA 0.703 5.054 4.350 0.001 0.000 0.280 157 T C -1.268 173.707 174.700 0.459 0.000 0.999 157 T CA -0.560 61.647 62.100 0.178 0.000 0.983 157 T CB 0.849 69.764 68.868 0.077 0.000 0.968 157 T HN 0.562 nan 8.240 nan 0.000 0.446 158 Y N 2.039 122.543 120.300 0.340 0.000 2.446 158 Y HA 0.737 5.288 4.550 0.001 0.000 0.345 158 Y C -2.933 173.103 175.900 0.227 0.000 0.984 158 Y CA -3.845 54.422 58.100 0.280 0.000 1.058 158 Y CB 1.128 39.733 38.460 0.242 0.000 1.220 158 Y HN 0.417 nan 8.280 nan 0.000 0.455 159 P HA -0.073 nan 4.420 nan 0.000 0.267 159 P C -0.031 177.484 177.300 0.358 0.000 1.328 159 P CA 0.366 63.630 63.100 0.273 0.000 0.990 159 P CB 0.264 32.074 31.700 0.182 0.000 1.168 160 W N 5.576 126.961 121.300 0.142 0.000 2.720 160 W HA 0.004 4.665 4.660 0.001 0.000 0.301 160 W C -0.097 176.525 176.519 0.171 0.000 1.097 160 W CA 0.711 58.157 57.345 0.169 0.000 1.573 160 W CB -0.859 28.666 29.460 0.109 0.000 1.160 160 W HN 0.121 nan 8.180 nan 0.000 0.520 161 Y N 2.720 123.289 120.300 0.449 0.000 2.299 161 Y HA 0.252 4.802 4.550 0.001 0.000 0.335 161 Y C -0.597 175.366 175.900 0.106 0.000 1.287 161 Y CA -0.001 58.264 58.100 0.274 0.000 1.424 161 Y CB 0.425 39.048 38.460 0.273 0.000 1.326 161 Y HN -0.069 nan 8.280 nan 0.000 0.567 162 D N 2.249 122.413 120.400 -0.393 0.000 2.575 162 D HA 0.187 4.828 4.640 0.001 0.000 0.250 162 D C 0.403 176.239 176.300 -0.774 0.000 1.279 162 D CA -0.334 53.420 54.000 -0.410 0.000 0.925 162 D CB 1.074 41.740 40.800 -0.224 0.000 1.261 162 D HN 0.519 nan 8.370 nan 0.000 0.567 163 E N 2.307 122.194 120.200 -0.522 0.000 2.065 163 E HA -0.251 4.100 4.350 0.001 0.000 0.201 163 E C 1.639 178.018 176.600 -0.368 0.000 1.016 163 E CA 1.628 57.778 56.400 -0.416 0.000 0.818 163 E CB -0.410 29.184 29.700 -0.177 0.000 0.749 163 E HN 0.601 nan 8.360 nan 0.000 0.453 164 A N 1.231 123.884 122.820 -0.277 0.000 1.827 164 A HA -0.211 4.110 4.320 0.001 0.000 0.215 164 A C 2.500 179.869 177.584 -0.359 0.000 1.212 164 A CA 3.396 55.286 52.037 -0.244 0.000 0.624 164 A CB -1.542 17.365 19.000 -0.155 0.000 0.853 164 A HN 0.446 nan 8.150 nan 0.000 0.450 165 T N -2.018 112.360 114.554 -0.293 0.000 2.946 165 T HA -0.248 4.103 4.350 0.001 0.000 0.270 165 T C 0.946 175.409 174.700 -0.394 0.000 1.129 165 T CA 1.500 63.437 62.100 -0.272 0.000 1.103 165 T CB -1.031 67.763 68.868 -0.123 0.000 0.839 165 T HN 0.635 nan 8.240 nan 0.000 0.544 166 N N 0.740 119.181 118.700 -0.433 0.000 2.644 166 N HA -0.209 4.532 4.740 0.001 0.000 0.248 166 N C 0.658 176.306 175.510 0.231 0.000 1.150 166 N CA 0.584 53.536 53.050 -0.163 0.000 0.727 166 N CB -1.174 37.062 38.487 -0.417 0.000 1.091 166 N HN 0.788 nan 8.380 nan 0.000 0.556 167 G N -0.852 108.059 108.800 0.184 0.000 2.543 167 G HA2 0.470 4.430 3.960 0.001 0.000 0.202 167 G HA3 0.470 4.430 3.960 0.001 0.000 0.202 167 G C -0.488 174.565 174.900 0.255 0.000 1.897 167 G CA 0.558 45.799 45.100 0.235 0.000 0.726 167 G HN 0.293 nan 8.290 nan 0.000 0.804 168 V N 0.880 120.819 119.914 0.042 0.000 2.655 168 V HA 0.523 4.644 4.120 0.001 0.000 0.301 168 V C -0.158 175.853 176.094 -0.138 0.000 1.082 168 V CA -0.736 61.488 62.300 -0.127 0.000 0.899 168 V CB 1.721 33.296 31.823 -0.414 0.000 1.014 168 V HN 0.508 nan 8.190 nan 0.000 0.429 169 R N 5.054 125.485 120.500 -0.114 0.000 5.010 169 R HA 0.017 4.358 4.340 0.001 0.000 0.175 169 R C 0.951 177.240 176.300 -0.017 0.000 2.216 169 R CA 0.135 56.204 56.100 -0.052 0.000 1.778 169 R CB -0.613 29.680 30.300 -0.012 0.000 1.310 169 R HN 0.750 nan 8.270 nan 0.000 0.814 170 F N 1.493 121.326 119.950 -0.194 0.000 2.239 170 F HA -0.421 4.106 4.527 0.001 0.000 0.305 170 F C 1.510 177.220 175.800 -0.150 0.000 1.289 170 F CA 2.591 60.468 58.000 -0.206 0.000 1.259 170 F CB -0.910 37.982 39.000 -0.180 0.000 0.907 170 F HN 0.338 nan 8.300 nan 0.000 0.579 171 N N 0.609 119.393 118.700 0.139 0.000 2.027 171 N HA -0.250 4.490 4.740 0.001 0.000 0.200 171 N C 1.466 176.982 175.510 0.010 0.000 1.042 171 N CA 1.863 54.893 53.050 -0.034 0.000 0.871 171 N CB -0.870 37.545 38.487 -0.121 0.000 1.063 171 N HN 0.354 nan 8.380 nan 0.000 0.438 172 D N -0.061 120.345 120.400 0.011 0.000 2.286 172 D HA -0.200 4.440 4.640 0.001 0.000 0.195 172 D C 1.833 178.149 176.300 0.027 0.000 1.012 172 D CA 1.123 55.131 54.000 0.013 0.000 0.901 172 D CB -0.188 40.621 40.800 0.016 0.000 0.903 172 D HN 0.421 nan 8.370 nan 0.000 0.451 173 L N -1.603 119.644 121.223 0.041 0.000 2.316 173 L HA 0.130 4.471 4.340 0.001 0.000 0.207 173 L C 2.193 179.068 176.870 0.008 0.000 1.070 173 L CA 0.307 55.172 54.840 0.041 0.000 0.820 173 L CB -0.291 41.806 42.059 0.063 0.000 0.992 173 L HN -0.116 nan 8.230 nan 0.000 0.466 174 L N 0.849 122.092 121.223 0.034 0.000 2.151 174 L HA -0.277 4.063 4.340 0.001 0.000 0.215 174 L C 2.673 179.530 176.870 -0.022 0.000 1.084 174 L CA 1.600 56.453 54.840 0.022 0.000 0.764 174 L CB -0.659 41.427 42.059 0.044 0.000 0.891 174 L HN 0.585 nan 8.230 nan 0.000 0.435 175 A N -1.359 121.446 122.820 -0.026 0.000 2.030 175 A HA -0.066 4.254 4.320 0.001 0.000 0.215 175 A C 2.203 179.755 177.584 -0.053 0.000 1.164 175 A CA 1.239 53.253 52.037 -0.038 0.000 0.697 175 A CB -0.382 18.599 19.000 -0.031 0.000 0.827 175 A HN 0.377 nan 8.150 nan 0.000 0.457 176 T N 1.158 115.681 114.554 -0.051 0.000 2.708 176 T HA -0.151 4.200 4.350 0.001 0.000 0.266 176 T C 1.737 176.336 174.700 -0.168 0.000 1.037 176 T CA 1.740 63.789 62.100 -0.085 0.000 1.146 176 T CB -0.485 68.359 68.868 -0.039 0.000 0.865 176 T HN 0.325 nan 8.240 nan 0.000 0.435 177 L N 0.843 121.969 121.223 -0.162 0.000 2.042 177 L HA -0.053 4.288 4.340 0.001 0.000 0.210 177 L C 2.162 178.939 176.870 -0.156 0.000 1.076 177 L CA 1.437 56.156 54.840 -0.202 0.000 0.749 177 L CB -0.734 41.230 42.059 -0.157 0.000 0.893 177 L HN 0.133 nan 8.230 nan 0.000 0.432 178 K N -0.542 119.796 120.400 -0.103 0.000 2.687 178 K HA -0.027 4.294 4.320 0.001 0.000 0.197 178 K C 1.018 177.571 176.600 -0.077 0.000 1.018 178 K CA 0.814 57.057 56.287 -0.074 0.000 1.035 178 K CB -0.318 32.151 32.500 -0.050 0.000 0.834 178 K HN 0.375 nan 8.250 nan 0.000 0.496 179 T N -0.111 114.373 114.554 -0.117 0.000 2.964 179 T HA 0.166 4.517 4.350 0.001 0.000 0.250 179 T C 0.534 175.160 174.700 -0.123 0.000 0.982 179 T CA -0.415 61.623 62.100 -0.103 0.000 0.959 179 T CB 0.269 69.075 68.868 -0.103 0.000 1.141 179 T HN 0.031 nan 8.240 nan 0.000 0.494 180 L N 3.464 124.558 121.223 -0.215 0.000 2.558 180 L HA 0.087 4.427 4.340 0.001 0.000 0.301 180 L C -1.450 175.383 176.870 -0.062 0.000 1.267 180 L CA -1.093 53.616 54.840 -0.218 0.000 0.854 180 L CB -0.434 41.440 42.059 -0.309 0.000 1.103 180 L HN 0.109 nan 8.230 nan 0.000 0.522 181 P HA 0.076 nan 4.420 nan 0.000 0.333 181 P C -0.772 176.563 177.300 0.058 0.000 1.343 181 P CA -0.413 62.724 63.100 0.062 0.000 0.761 181 P CB 0.307 32.079 31.700 0.121 0.000 1.701 182 A N -0.323 122.546 122.820 0.082 0.000 2.350 182 A HA 0.237 4.558 4.320 0.001 0.000 0.293 182 A C 0.239 177.888 177.584 0.108 0.000 1.231 182 A CA -0.265 51.822 52.037 0.084 0.000 0.883 182 A CB -1.010 18.043 19.000 0.088 0.000 1.133 182 A HN 0.442 nan 8.150 nan 0.000 0.533 183 R N 1.377 121.927 120.500 0.084 0.000 2.564 183 R HA -0.124 4.216 4.340 0.001 0.000 0.298 183 R C -0.791 175.570 176.300 0.101 0.000 1.011 183 R CA 1.007 57.156 56.100 0.081 0.000 0.867 183 R CB -1.344 29.024 30.300 0.115 0.000 2.352 183 R HN 0.752 nan 8.270 nan 0.000 0.511 184 S N 3.783 119.539 115.700 0.092 0.000 2.478 184 S HA 0.463 4.934 4.470 0.001 0.000 0.312 184 S C 0.768 175.447 174.600 0.132 0.000 1.094 184 S CA -1.092 57.205 58.200 0.162 0.000 1.081 184 S CB 1.282 64.638 63.200 0.259 0.000 1.007 184 S HN 0.303 nan 8.310 nan 0.000 0.475 185 I N 1.938 122.569 120.570 0.101 0.000 3.245 185 I HA 0.129 4.299 4.170 0.001 0.000 0.290 185 I C 0.080 176.301 176.117 0.173 0.000 1.269 185 I CA 0.181 61.530 61.300 0.082 0.000 1.383 185 I CB -0.807 37.188 38.000 -0.009 0.000 1.337 185 I HN 0.301 nan 8.210 nan 0.000 0.599 186 V N 4.784 124.791 119.914 0.156 0.000 2.789 186 V HA 0.321 4.442 4.120 0.001 0.000 0.300 186 V C -0.381 175.817 176.094 0.174 0.000 1.184 186 V CA -0.551 61.843 62.300 0.158 0.000 0.930 186 V CB 2.101 33.955 31.823 0.052 0.000 1.041 186 V HN 0.507 nan 8.190 nan 0.000 0.430 187 L N 5.500 126.834 121.223 0.185 0.000 2.295 187 L HA 0.740 5.081 4.340 0.001 0.000 0.285 187 L C -0.904 176.136 176.870 0.284 0.000 1.035 187 L CA -0.157 54.760 54.840 0.128 0.000 0.806 187 L CB 1.451 43.452 42.059 -0.098 0.000 1.214 187 L HN 0.449 nan 8.230 nan 0.000 0.426 188 L N 2.795 124.163 121.223 0.243 0.000 2.409 188 L HA 0.474 4.815 4.340 0.001 0.000 0.262 188 L C -0.564 176.439 176.870 0.221 0.000 0.992 188 L CA -0.491 54.542 54.840 0.322 0.000 0.817 188 L CB 1.820 44.108 42.059 0.382 0.000 1.350 188 L HN 0.391 nan 8.230 nan 0.000 0.411 189 H N 3.695 122.914 119.070 0.248 0.000 2.673 189 H HA 0.304 4.860 4.556 0.001 0.000 0.293 189 H C -1.818 173.754 175.328 0.407 0.000 1.065 189 H CA -1.487 54.675 56.048 0.191 0.000 1.236 189 H CB 1.858 31.618 29.762 -0.004 0.000 1.389 189 H HN 0.383 nan 8.280 nan 0.000 0.481 190 P HA -0.055 nan 4.420 nan 0.000 0.221 190 P C 0.304 177.871 177.300 0.446 0.000 1.150 190 P CA 0.535 63.812 63.100 0.294 0.000 0.800 190 P CB 0.464 32.114 31.700 -0.084 0.000 0.787 191 C N -2.612 116.935 119.300 0.412 0.000 3.082 191 C HA 0.548 5.009 4.460 0.001 0.000 0.324 191 C C -0.118 175.106 174.990 0.391 0.000 1.210 191 C CA -1.090 58.148 59.018 0.366 0.000 1.366 191 C CB 0.411 28.313 27.740 0.270 0.000 1.756 191 C HN 0.363 nan 8.230 nan 0.000 0.485 192 C N 2.629 122.103 119.300 0.289 0.000 2.619 192 C HA -0.134 4.327 4.460 0.001 0.000 0.243 192 C C 0.740 175.779 174.990 0.082 0.000 1.189 192 C CA 1.101 60.246 59.018 0.211 0.000 2.652 192 C CB -3.414 24.486 27.740 0.266 0.000 1.614 192 C HN 1.199 nan 8.230 nan 0.000 0.386 193 H N 1.732 120.690 119.070 -0.186 0.000 2.830 193 H HA 0.186 4.742 4.556 0.001 0.000 0.382 193 H C 0.655 175.581 175.328 -0.669 0.000 1.423 193 H CA 0.483 56.129 56.048 -0.670 0.000 1.464 193 H CB 0.426 29.895 29.762 -0.488 0.000 1.495 193 H HN 0.776 nan 8.280 nan 0.000 0.617 194 N N 1.623 119.698 118.700 -1.042 0.000 2.503 194 N HA 0.095 4.836 4.740 0.001 0.000 0.287 194 N C -2.450 172.480 175.510 -0.968 0.000 1.096 194 N CA -1.561 51.008 53.050 -0.802 0.000 0.936 194 N CB 2.156 40.348 38.487 -0.491 0.000 1.570 194 N HN 0.350 nan 8.380 nan 0.000 0.504 195 P HA 0.051 nan 4.420 nan 0.000 0.220 195 P C 1.091 177.973 177.300 -0.697 0.000 1.154 195 P CA 0.896 63.573 63.100 -0.704 0.000 0.830 195 P CB 0.226 31.687 31.700 -0.400 0.000 0.803 196 T N -0.070 113.782 114.554 -1.169 0.000 2.755 196 T HA -0.165 4.186 4.350 0.001 0.000 0.266 196 T C 1.474 175.940 174.700 -0.389 0.000 1.041 196 T CA 1.770 63.264 62.100 -1.010 0.000 1.147 196 T CB -1.700 66.606 68.868 -0.937 0.000 0.847 196 T HN 0.399 nan 8.240 nan 0.000 0.478 197 G N 1.434 110.062 108.800 -0.285 0.000 2.412 197 G HA2 -0.013 3.947 3.960 0.001 0.000 0.297 197 G HA3 -0.013 3.947 3.960 0.001 0.000 0.297 197 G C 0.128 175.072 174.900 0.072 0.000 0.965 197 G CA 0.207 45.290 45.100 -0.029 0.000 1.134 197 G HN 1.169 nan 8.290 nan 0.000 0.511 198 A N 0.702 123.645 122.820 0.206 0.000 3.410 198 A HA 0.543 4.864 4.320 0.001 0.000 0.276 198 A C 0.601 178.399 177.584 0.357 0.000 0.995 198 A CA 0.199 52.381 52.037 0.241 0.000 0.934 198 A CB 0.516 19.633 19.000 0.196 0.000 1.191 198 A HN 0.448 nan 8.150 nan 0.000 0.511 199 D N 0.804 121.412 120.400 0.346 0.000 2.169 199 D HA 0.376 5.017 4.640 0.001 0.000 0.253 199 D C 0.694 176.990 176.300 -0.006 0.000 1.257 199 D CA 0.059 54.260 54.000 0.334 0.000 0.976 199 D CB 0.336 41.377 40.800 0.402 0.000 1.195 199 D HN 0.482 nan 8.370 nan 0.000 0.534 200 L N -3.661 117.469 121.223 -0.155 0.000 2.194 200 L HA 0.612 4.953 4.340 0.001 0.000 0.248 200 L C 0.188 176.959 176.870 -0.165 0.000 1.071 200 L CA -1.130 53.491 54.840 -0.365 0.000 0.901 200 L CB 1.341 42.877 42.059 -0.872 0.000 1.497 200 L HN 0.168 nan 8.230 nan 0.000 0.442 201 T N -0.500 113.933 114.554 -0.203 0.000 2.934 201 T HA 0.267 4.617 4.350 0.001 0.000 0.283 201 T C 0.981 175.691 174.700 0.018 0.000 1.005 201 T CA -0.458 61.615 62.100 -0.045 0.000 1.041 201 T CB 0.775 69.614 68.868 -0.048 0.000 1.042 201 T HN 0.728 nan 8.240 nan 0.000 0.505 202 N N 3.017 121.670 118.700 -0.078 0.000 2.021 202 N HA -0.186 4.555 4.740 0.001 0.000 0.198 202 N C 1.280 176.756 175.510 -0.057 0.000 1.041 202 N CA 1.907 54.712 53.050 -0.409 0.000 0.862 202 N CB -0.712 37.084 38.487 -1.151 0.000 1.048 202 N HN 0.676 nan 8.380 nan 0.000 0.427 203 D N 0.749 121.129 120.400 -0.033 0.000 2.242 203 D HA -0.237 4.404 4.640 0.001 0.000 0.190 203 D C 2.233 178.597 176.300 0.107 0.000 1.012 203 D CA 2.093 56.126 54.000 0.054 0.000 0.875 203 D CB -0.126 40.698 40.800 0.040 0.000 0.922 203 D HN 0.609 nan 8.370 nan 0.000 0.448 204 Q N -0.971 118.881 119.800 0.088 0.000 2.302 204 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 204 Q C 1.805 177.878 176.000 0.123 0.000 0.936 204 Q CA 0.343 56.238 55.803 0.153 0.000 0.886 204 Q CB -0.730 28.110 28.738 0.170 0.000 0.986 204 Q HN 0.521 nan 8.270 nan 0.000 0.487 205 W N 2.441 123.740 121.300 -0.002 0.000 2.341 205 W HA -0.177 4.484 4.660 0.001 0.000 0.283 205 W C 1.385 177.966 176.519 0.104 0.000 1.215 205 W CA 1.012 58.376 57.345 0.032 0.000 1.211 205 W CB 0.182 29.680 29.460 0.063 0.000 1.131 205 W HN 0.277 nan 8.180 nan 0.000 0.552 206 D N -0.037 120.575 120.400 0.354 0.000 2.092 206 D HA -0.202 4.439 4.640 0.001 0.000 0.193 206 D C 2.226 178.640 176.300 0.191 0.000 0.994 206 D CA 2.019 56.174 54.000 0.258 0.000 0.828 206 D CB -1.056 39.867 40.800 0.205 0.000 0.963 206 D HN 0.102 nan 8.370 nan 0.000 0.450 207 A N 0.444 123.364 122.820 0.167 0.000 2.121 207 A HA -0.063 4.258 4.320 0.001 0.000 0.218 207 A C 2.384 180.044 177.584 0.127 0.000 1.154 207 A CA 0.713 52.824 52.037 0.123 0.000 0.679 207 A CB -0.470 18.593 19.000 0.106 0.000 0.795 207 A HN 0.119 nan 8.150 nan 0.000 0.458 208 V N 0.549 120.564 119.914 0.168 0.000 2.216 208 V HA -0.303 3.817 4.120 0.001 0.000 0.242 208 V C 2.400 178.580 176.094 0.142 0.000 1.042 208 V CA 2.377 64.769 62.300 0.153 0.000 0.991 208 V CB -0.854 31.128 31.823 0.265 0.000 0.633 208 V HN 0.635 nan 8.190 nan 0.000 0.449 209 I N -0.003 120.679 120.570 0.187 0.000 2.208 209 I HA -0.273 3.897 4.170 0.001 0.000 0.245 209 I C 2.433 178.600 176.117 0.084 0.000 1.097 209 I CA 1.948 63.326 61.300 0.129 0.000 1.363 209 I CB -0.716 37.361 38.000 0.129 0.000 1.051 209 I HN 0.364 nan 8.210 nan 0.000 0.413 210 E N 1.703 121.955 120.200 0.088 0.000 2.149 210 E HA -0.280 4.070 4.350 0.001 0.000 0.215 210 E C 1.816 178.439 176.600 0.037 0.000 1.055 210 E CA 2.695 59.131 56.400 0.060 0.000 0.870 210 E CB -0.285 29.451 29.700 0.060 0.000 0.764 210 E HN 0.702 nan 8.360 nan 0.000 0.463 211 I N -0.433 120.156 120.570 0.032 0.000 3.603 211 I HA 0.029 4.200 4.170 0.001 0.000 0.297 211 I C 2.099 178.216 176.117 0.001 0.000 1.269 211 I CA 0.293 61.599 61.300 0.009 0.000 1.361 211 I CB -0.119 37.878 38.000 -0.004 0.000 1.063 211 I HN 0.110 nan 8.210 nan 0.000 0.448 212 L N 1.101 122.332 121.223 0.015 0.000 2.072 212 L HA -0.075 4.266 4.340 0.001 0.000 0.205 212 L C 2.626 179.503 176.870 0.011 0.000 1.079 212 L CA 1.471 56.315 54.840 0.007 0.000 0.752 212 L CB -0.231 41.846 42.059 0.031 0.000 0.906 212 L HN 0.301 nan 8.230 nan 0.000 0.436 213 K N 0.357 120.769 120.400 0.021 0.000 2.067 213 K HA -0.069 4.252 4.320 0.001 0.000 0.203 213 K C 1.917 178.526 176.600 0.014 0.000 1.048 213 K CA 1.196 57.494 56.287 0.018 0.000 0.954 213 K CB -0.044 32.468 32.500 0.021 0.000 0.737 213 K HN 0.270 nan 8.250 nan 0.000 0.444 214 A N 2.486 125.315 122.820 0.014 0.000 1.873 214 A HA -0.156 4.165 4.320 0.001 0.000 0.218 214 A C 2.132 179.719 177.584 0.006 0.000 1.193 214 A CA 1.425 53.468 52.037 0.010 0.000 0.629 214 A CB -0.496 18.509 19.000 0.009 0.000 0.826 214 A HN 0.276 nan 8.150 nan 0.000 0.447 215 R N -0.381 120.119 120.500 -0.001 0.000 2.316 215 R HA 0.030 4.371 4.340 0.001 0.000 0.202 215 R C -0.371 175.931 176.300 0.003 0.000 1.029 215 R CA 0.537 56.633 56.100 -0.006 0.000 1.018 215 R CB -0.654 29.631 30.300 -0.025 0.000 0.888 215 R HN 0.708 nan 8.270 nan 0.000 0.471 216 E N 0.193 120.398 120.200 0.009 0.000 5.234 216 E HA -0.192 4.159 4.350 0.001 0.000 0.170 216 E C -1.365 175.246 176.600 0.019 0.000 1.556 216 E CA 0.375 56.787 56.400 0.019 0.000 1.185 216 E CB -0.852 28.865 29.700 0.028 0.000 1.023 216 E HN 0.125 nan 8.360 nan 0.000 0.337 217 L N 2.767 123.998 121.223 0.013 0.000 2.540 217 L HA 0.542 4.883 4.340 0.001 0.000 0.256 217 L C -0.216 176.655 176.870 0.001 0.000 1.001 217 L CA -0.940 53.906 54.840 0.009 0.000 0.843 217 L CB 1.451 43.504 42.059 -0.010 0.000 1.436 217 L HN 0.231 nan 8.230 nan 0.000 0.410 218 I N 3.627 124.190 120.570 -0.013 0.000 2.396 218 I HA 0.258 4.429 4.170 0.001 0.000 0.289 218 I C -2.161 173.958 176.117 0.004 0.000 1.056 218 I CA -1.248 60.024 61.300 -0.046 0.000 1.365 218 I CB 0.795 38.713 38.000 -0.136 0.000 1.407 218 I HN 0.245 nan 8.210 nan 0.000 0.509 219 P HA 0.214 nan 4.420 nan 0.000 0.300 219 P C -0.954 176.395 177.300 0.081 0.000 1.356 219 P CA -0.389 62.745 63.100 0.058 0.000 0.823 219 P CB 0.730 32.455 31.700 0.042 0.000 0.934 220 F N 5.473 125.435 119.950 0.019 0.000 2.347 220 F HA 0.403 4.931 4.527 0.001 0.000 0.366 220 F C -0.822 174.997 175.800 0.032 0.000 1.107 220 F CA -1.601 56.418 58.000 0.031 0.000 1.058 220 F CB 0.674 39.703 39.000 0.049 0.000 1.236 220 F HN 0.107 nan 8.300 nan 0.000 0.456 221 L N 5.275 126.718 121.223 0.366 0.000 2.379 221 L HA 0.519 4.860 4.340 0.001 0.000 0.269 221 L C -0.777 176.274 176.870 0.301 0.000 1.084 221 L CA 0.095 55.082 54.840 0.246 0.000 0.802 221 L CB 1.131 43.229 42.059 0.065 0.000 1.175 221 L HN 0.628 nan 8.230 nan 0.000 0.448 222 D N 3.353 123.809 120.400 0.093 0.000 2.927 222 D HA 0.368 5.008 4.640 0.001 0.000 0.219 222 D C -1.678 174.511 176.300 -0.185 0.000 1.248 222 D CA -0.297 53.688 54.000 -0.025 0.000 0.861 222 D CB 1.699 42.451 40.800 -0.081 0.000 1.677 222 D HN 0.556 nan 8.370 nan 0.000 0.511 223 I N 2.358 122.822 120.570 -0.178 0.000 2.586 223 I HA 0.586 4.757 4.170 0.001 0.000 0.288 223 I C -0.257 175.739 176.117 -0.203 0.000 1.147 223 I CA -0.446 60.766 61.300 -0.146 0.000 1.047 223 I CB 1.694 39.659 38.000 -0.058 0.000 1.244 223 I HN 0.474 nan 8.210 nan 0.000 0.429 224 A N 6.224 128.866 122.820 -0.296 0.000 1.997 224 A HA 0.245 4.566 4.320 0.001 0.000 0.212 224 A C -0.171 176.980 177.584 -0.722 0.000 1.178 224 A CA 0.842 52.463 52.037 -0.693 0.000 0.698 224 A CB 0.060 18.329 19.000 -1.218 0.000 0.842 224 A HN 0.674 nan 8.150 nan 0.000 0.458 225 Y N -0.083 120.333 120.300 0.193 0.000 2.488 225 Y HA 0.481 5.031 4.550 0.001 0.000 0.330 225 Y C -0.083 175.925 175.900 0.181 0.000 1.013 225 Y CA -0.859 57.407 58.100 0.275 0.000 1.304 225 Y CB 0.703 39.418 38.460 0.424 0.000 1.098 225 Y HN 0.133 nan 8.280 nan 0.000 0.498 226 Q N 1.900 121.777 119.800 0.128 0.000 2.274 226 Q HA 0.445 4.786 4.340 0.001 0.000 0.256 226 Q C 0.755 176.684 176.000 -0.118 0.000 0.927 226 Q CA 0.487 56.306 55.803 0.026 0.000 0.939 226 Q CB 1.305 30.040 28.738 -0.005 0.000 1.201 226 Q HN 1.112 nan 8.270 nan 0.000 0.426 227 G N 3.474 112.234 108.800 -0.066 0.000 2.137 227 G HA2 -0.245 3.716 3.960 0.001 0.000 0.237 227 G HA3 -0.245 3.716 3.960 0.001 0.000 0.237 227 G C -0.115 174.675 174.900 -0.182 0.000 1.002 227 G CA -0.014 44.989 45.100 -0.162 0.000 0.702 227 G HN 0.617 nan 8.290 nan 0.000 0.515 228 F N 0.173 120.107 119.950 -0.027 0.000 2.746 228 F HA 0.390 4.918 4.527 0.001 0.000 0.313 228 F C 2.099 177.888 175.800 -0.019 0.000 1.095 228 F CA 0.632 58.604 58.000 -0.047 0.000 1.224 228 F CB 0.281 39.263 39.000 -0.030 0.000 1.060 228 F HN 0.204 nan 8.300 nan 0.000 0.584 229 G N -0.674 108.252 108.800 0.210 0.000 2.688 229 G HA2 0.269 4.229 3.960 0.001 0.000 0.214 229 G HA3 0.269 4.229 3.960 0.001 0.000 0.214 229 G C 1.476 176.438 174.900 0.104 0.000 1.211 229 G CA 0.889 46.077 45.100 0.146 0.000 0.853 229 G HN 0.248 nan 8.290 nan 0.000 0.591 230 A N -1.400 121.476 122.820 0.092 0.000 2.074 230 A HA 0.672 4.993 4.320 0.001 0.000 0.200 230 A C 0.987 178.598 177.584 0.046 0.000 1.335 230 A CA 1.340 53.417 52.037 0.067 0.000 0.922 230 A CB 0.484 19.526 19.000 0.070 0.000 0.972 230 A HN 1.466 nan 8.150 nan 0.000 0.475 234 E N 1.431 121.631 120.200 0.000 0.000 2.510 234 E HA -0.112 4.239 4.350 0.001 0.000 0.202 234 E C 0.930 177.554 176.600 0.039 0.000 1.072 234 E CA 0.728 57.130 56.400 0.004 0.000 0.883 234 E CB -0.011 29.690 29.700 0.002 0.000 0.818 234 E HN 0.450 nan 8.360 nan 0.000 0.548 235 E N 1.647 121.879 120.200 0.053 0.000 2.001 235 E HA -0.149 4.202 4.350 0.001 0.000 0.195 235 E C 1.585 178.253 176.600 0.112 0.000 1.002 235 E CA 0.954 57.408 56.400 0.091 0.000 0.819 235 E CB -0.370 29.372 29.700 0.069 0.000 0.769 235 E HN 0.317 nan 8.360 nan 0.000 0.454 236 D N 0.533 120.987 120.400 0.090 0.000 2.309 236 D HA -0.102 4.539 4.640 0.001 0.000 0.212 236 D C 1.477 177.819 176.300 0.070 0.000 0.968 236 D CA 1.008 55.074 54.000 0.109 0.000 0.882 236 D CB -0.012 40.862 40.800 0.124 0.000 0.918 236 D HN 0.141 nan 8.370 nan 0.000 0.503 237 A N 0.168 123.010 122.820 0.037 0.000 2.123 237 A HA -0.108 4.213 4.320 0.001 0.000 0.214 237 A C 1.884 179.452 177.584 -0.026 0.000 1.152 237 A CA 0.140 52.158 52.037 -0.032 0.000 0.728 237 A CB -0.611 18.348 19.000 -0.068 0.000 0.814 237 A HN 0.204 nan 8.150 nan 0.000 0.464 238 Y N 1.349 121.592 120.300 -0.094 0.000 2.038 238 Y HA -0.403 4.147 4.550 0.001 0.000 0.266 238 Y C 2.455 178.243 175.900 -0.187 0.000 1.220 238 Y CA 1.966 60.010 58.100 -0.094 0.000 1.107 238 Y CB -1.001 37.429 38.460 -0.049 0.000 0.932 238 Y HN 0.389 nan 8.280 nan 0.000 0.500 239 A N 0.526 123.355 122.820 0.015 0.000 1.901 239 A HA -0.385 3.936 4.320 0.001 0.000 0.227 239 A C 2.243 179.680 177.584 -0.246 0.000 1.551 239 A CA 3.581 55.397 52.037 -0.368 0.000 0.769 239 A CB -1.743 16.847 19.000 -0.684 0.000 0.845 239 A HN 0.735 nan 8.150 nan 0.000 0.481 240 I N -1.253 119.203 120.570 -0.191 0.000 2.182 240 I HA -0.385 3.786 4.170 0.001 0.000 0.248 240 I C 2.460 178.607 176.117 0.050 0.000 1.073 240 I CA 2.259 63.520 61.300 -0.066 0.000 1.335 240 I CB -0.668 37.233 38.000 -0.166 0.000 1.031 240 I HN 0.209 nan 8.210 nan 0.000 0.420 241 R N 1.603 122.059 120.500 -0.072 0.000 2.147 241 R HA -0.097 4.243 4.340 0.001 0.000 0.225 241 R C 2.563 178.870 176.300 0.012 0.000 1.120 241 R CA 2.010 58.096 56.100 -0.024 0.000 0.891 241 R CB -1.575 28.599 30.300 -0.210 0.000 0.822 241 R HN 0.447 nan 8.270 nan 0.000 0.433 242 A N 0.462 123.161 122.820 -0.202 0.000 2.009 242 A HA -0.227 4.094 4.320 0.001 0.000 0.222 242 A C 2.297 179.876 177.584 -0.009 0.000 1.175 242 A CA 2.083 54.056 52.037 -0.107 0.000 0.651 242 A CB -0.915 18.033 19.000 -0.087 0.000 0.815 242 A HN 0.331 nan 8.150 nan 0.000 0.459 243 I N -0.839 119.726 120.570 -0.008 0.000 2.162 243 I HA -0.170 4.001 4.170 0.001 0.000 0.238 243 I C 2.927 179.069 176.117 0.042 0.000 1.076 243 I CA 0.979 62.293 61.300 0.023 0.000 1.353 243 I CB -0.587 37.417 38.000 0.007 0.000 1.063 243 I HN 0.347 nan 8.210 nan 0.000 0.408 244 A N 1.081 123.955 122.820 0.090 0.000 1.819 244 A HA -0.195 4.126 4.320 0.001 0.000 0.215 244 A C 2.416 179.983 177.584 -0.029 0.000 1.226 244 A CA 2.372 54.426 52.037 0.028 0.000 0.608 244 A CB -1.293 17.695 19.000 -0.020 0.000 0.877 244 A HN 0.487 nan 8.150 nan 0.000 0.452 245 S N 0.344 116.054 115.700 0.017 0.000 2.534 245 S HA -0.072 4.399 4.470 0.001 0.000 0.217 245 S C 2.139 176.698 174.600 -0.068 0.000 1.097 245 S CA 1.970 60.122 58.200 -0.080 0.000 1.288 245 S CB -1.404 61.637 63.200 -0.265 0.000 1.109 245 S HN 1.530 nan 8.310 nan 0.000 0.398 246 A N 2.194 124.980 122.820 -0.056 0.000 2.082 246 A HA 0.004 4.325 4.320 0.001 0.000 0.224 246 A C 1.927 179.502 177.584 -0.016 0.000 1.179 246 A CA 2.238 54.253 52.037 -0.038 0.000 0.670 246 A CB -2.033 16.955 19.000 -0.021 0.000 0.817 246 A HN 0.918 nan 8.150 nan 0.000 0.475 247 G N -2.256 106.540 108.800 -0.007 0.000 3.107 247 G HA2 0.348 4.309 3.960 0.001 0.000 0.155 247 G HA3 0.348 4.309 3.960 0.001 0.000 0.155 247 G C 0.749 175.643 174.900 -0.010 0.000 1.875 247 G CA 0.927 46.029 45.100 0.003 0.000 1.004 247 G HN 1.047 nan 8.290 nan 0.000 0.480 248 L N -1.937 119.279 121.223 -0.011 0.000 1.284 248 L HA 0.211 4.552 4.340 0.001 0.000 0.047 248 L C -2.222 174.640 176.870 -0.014 0.000 1.584 248 L CA -0.057 54.773 54.840 -0.017 0.000 1.080 248 L CB 0.015 42.070 42.059 -0.007 0.000 2.129 248 L HN 0.422 nan 8.230 nan 0.000 0.425 249 P HA 0.701 nan 4.420 nan 0.000 0.283 249 P C -1.430 175.866 177.300 -0.008 0.000 1.278 249 P CA 0.113 63.210 63.100 -0.006 0.000 0.834 249 P CB 2.242 33.941 31.700 -0.001 0.000 1.150 250 A N 0.031 122.838 122.820 -0.021 0.000 2.441 250 A HA 0.555 4.876 4.320 0.001 0.000 0.295 250 A C -2.493 175.045 177.584 -0.077 0.000 0.992 250 A CA -0.403 51.617 52.037 -0.027 0.000 0.603 250 A CB 0.356 19.367 19.000 0.018 0.000 1.385 250 A HN 0.565 nan 8.150 nan 0.000 0.470 251 L N 0.334 121.472 121.223 -0.141 0.000 2.737 251 L HA 0.671 5.012 4.340 0.001 0.000 0.261 251 L C -1.540 175.106 176.870 -0.373 0.000 0.949 251 L CA -0.283 54.369 54.840 -0.314 0.000 0.952 251 L CB 1.018 42.733 42.059 -0.573 0.000 1.337 251 L HN 1.140 nan 8.230 nan 0.000 0.430 252 V N 3.548 123.347 119.914 -0.193 0.000 2.975 252 V HA 0.924 5.045 4.120 0.001 0.000 0.318 252 V C -0.213 175.853 176.094 -0.047 0.000 1.077 252 V CA 0.258 62.501 62.300 -0.096 0.000 1.000 252 V CB 2.381 34.161 31.823 -0.072 0.000 1.066 252 V HN 1.015 nan 8.190 nan 0.000 0.452 253 S N 2.947 118.675 115.700 0.047 0.000 2.423 253 S HA 0.333 4.804 4.470 0.001 0.000 0.213 253 S C -0.720 173.845 174.600 -0.059 0.000 1.131 253 S CA -0.702 57.535 58.200 0.062 0.000 1.155 253 S CB 0.094 63.465 63.200 0.285 0.000 1.202 253 S HN 0.808 nan 8.310 nan 0.000 0.441 254 N N 1.657 120.261 118.700 -0.160 0.000 2.399 254 N HA 0.409 5.150 4.740 0.001 0.000 0.250 254 N C -0.337 174.914 175.510 -0.431 0.000 1.272 254 N CA -0.062 52.842 53.050 -0.244 0.000 0.928 254 N CB 0.792 39.174 38.487 -0.175 0.000 1.158 254 N HN 0.697 nan 8.380 nan 0.000 0.463 255 S N 1.682 117.161 115.700 -0.368 0.000 2.605 255 S HA 0.372 4.843 4.470 0.001 0.000 0.308 255 S C -0.212 174.304 174.600 -0.140 0.000 1.113 255 S CA -0.697 57.293 58.200 -0.350 0.000 1.049 255 S CB 0.470 63.499 63.200 -0.286 0.000 1.001 255 S HN 0.492 nan 8.310 nan 0.000 0.480 256 F N 2.625 122.620 119.950 0.076 0.000 2.343 256 F HA 0.217 4.745 4.527 0.001 0.000 0.286 256 F C 2.749 178.627 175.800 0.130 0.000 1.057 256 F CA 0.246 58.378 58.000 0.219 0.000 1.365 256 F CB -1.455 37.696 39.000 0.251 0.000 1.114 256 F HN 0.584 nan 8.300 nan 0.000 0.545 257 S N 0.961 116.768 115.700 0.178 0.000 2.451 257 S HA -0.326 4.145 4.470 0.001 0.000 0.272 257 S C 2.038 176.401 174.600 -0.396 0.000 1.136 257 S CA 2.288 60.451 58.200 -0.061 0.000 1.209 257 S CB -0.463 62.760 63.200 0.038 0.000 1.130 257 S HN 0.368 nan 8.310 nan 0.000 0.440 258 K N 0.472 120.779 120.400 -0.155 0.000 2.021 258 K HA 0.153 4.474 4.320 0.001 0.000 0.205 258 K C 2.126 178.798 176.600 0.120 0.000 1.047 258 K CA 0.911 57.182 56.287 -0.026 0.000 0.943 258 K CB -0.518 32.186 32.500 0.339 0.000 0.725 258 K HN 0.398 nan 8.250 nan 0.000 0.439 259 I N 0.402 121.081 120.570 0.182 0.000 3.010 259 I HA -0.196 3.975 4.170 0.001 0.000 0.271 259 I C 0.688 176.724 176.117 -0.136 0.000 1.293 259 I CA 1.092 62.440 61.300 0.080 0.000 1.452 259 I CB 0.144 38.155 38.000 0.018 0.000 1.082 259 I HN 0.019 nan 8.210 nan 0.000 0.484 260 F N -0.550 119.431 119.950 0.052 0.000 2.834 260 F HA 0.263 4.790 4.527 0.001 0.000 0.332 260 F C 1.199 176.984 175.800 -0.025 0.000 1.056 260 F CA -0.012 58.038 58.000 0.083 0.000 1.178 260 F CB 0.394 39.442 39.000 0.079 0.000 1.037 260 F HN -0.184 nan 8.300 nan 0.000 0.580 261 S N 1.022 116.718 115.700 -0.006 0.000 3.926 261 S HA -0.113 4.357 4.470 0.001 0.000 0.478 261 S C -0.627 173.901 174.600 -0.121 0.000 0.830 261 S CA 0.608 58.712 58.200 -0.160 0.000 1.318 261 S CB -1.570 61.675 63.200 0.075 0.000 0.848 261 S HN 0.434 nan 8.310 nan 0.000 0.628 262 L N -0.575 120.447 121.223 -0.335 0.000 2.512 262 L HA 0.357 4.698 4.340 0.001 0.000 0.291 262 L C 0.554 177.408 176.870 -0.027 0.000 1.360 262 L CA -0.918 53.886 54.840 -0.061 0.000 0.655 262 L CB -0.729 41.322 42.059 -0.014 0.000 0.968 262 L HN 0.227 nan 8.230 nan 0.000 0.517 263 Y N 0.249 120.622 120.300 0.122 0.000 2.352 263 Y HA 0.123 4.674 4.550 0.001 0.000 0.292 263 Y C 2.270 178.219 175.900 0.082 0.000 1.136 263 Y CA 0.988 59.150 58.100 0.102 0.000 1.227 263 Y CB -1.049 37.468 38.460 0.096 0.000 0.991 263 Y HN 0.367 nan 8.280 nan 0.000 0.545 264 G N 0.239 109.232 108.800 0.322 0.000 2.446 264 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 264 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 264 G C 1.582 176.563 174.900 0.136 0.000 1.168 264 G CA 1.128 46.345 45.100 0.196 0.000 0.771 264 G HN 0.245 nan 8.290 nan 0.000 0.551 265 E N 0.099 120.375 120.200 0.125 0.000 2.077 265 E HA -0.036 4.315 4.350 0.001 0.000 0.193 265 E C 0.625 177.257 176.600 0.053 0.000 0.989 265 E CA 0.166 56.620 56.400 0.089 0.000 0.800 265 E CB -0.022 29.710 29.700 0.054 0.000 0.746 265 E HN 0.305 nan 8.360 nan 0.000 0.452 266 R N -1.168 119.371 120.500 0.065 0.000 1.761 266 R HA -0.092 4.248 4.340 0.001 0.000 0.392 266 R C -0.836 175.478 176.300 0.022 0.000 1.218 266 R CA 0.702 56.830 56.100 0.045 0.000 0.940 266 R CB -2.781 27.528 30.300 0.015 0.000 2.917 266 R HN 0.077 nan 8.270 nan 0.000 0.491 267 V N -1.275 118.683 119.914 0.073 0.000 2.789 267 V HA 0.950 5.071 4.120 0.001 0.000 0.300 267 V C 0.160 176.350 176.094 0.160 0.000 1.184 267 V CA -0.198 62.185 62.300 0.139 0.000 0.930 267 V CB 2.580 34.523 31.823 0.201 0.000 1.041 267 V HN 1.123 nan 8.190 nan 0.000 0.430 268 G N 1.558 110.313 108.800 -0.076 0.000 2.746 268 G HA2 0.735 4.696 3.960 0.001 0.000 0.297 268 G HA3 0.735 4.696 3.960 0.001 0.000 0.297 268 G C -0.187 174.443 174.900 -0.450 0.000 1.426 268 G CA -0.078 44.618 45.100 -0.674 0.000 0.989 268 G HN 1.352 nan 8.290 nan 0.000 0.520 269 G N -0.866 107.479 108.800 -0.759 0.000 2.569 269 G HA2 0.661 4.622 3.960 0.001 0.000 0.249 269 G HA3 0.661 4.622 3.960 0.001 0.000 0.249 269 G C -0.684 174.166 174.900 -0.083 0.000 1.216 269 G CA -0.106 44.925 45.100 -0.116 0.000 0.845 269 G HN 1.572 nan 8.290 nan 0.000 0.568 270 L N -0.028 121.204 121.223 0.015 0.000 2.705 270 L HA 0.613 4.954 4.340 0.001 0.000 0.260 270 L C -0.851 176.039 176.870 0.034 0.000 0.921 270 L CA -0.305 54.549 54.840 0.022 0.000 0.948 270 L CB 1.862 43.954 42.059 0.055 0.000 1.427 270 L HN 0.660 nan 8.230 nan 0.000 0.432 271 S N 3.379 119.087 115.700 0.014 0.000 2.626 271 S HA 0.682 5.152 4.470 0.001 0.000 0.275 271 S C -0.594 174.023 174.600 0.028 0.000 1.175 271 S CA -0.754 57.472 58.200 0.044 0.000 0.982 271 S CB 1.168 64.432 63.200 0.106 0.000 1.093 271 S HN 0.533 nan 8.310 nan 0.000 0.472 272 V N 2.697 122.624 119.914 0.021 0.000 3.441 272 V HA 0.693 4.814 4.120 0.001 0.000 0.300 272 V C 0.037 176.147 176.094 0.027 0.000 1.062 272 V CA -0.792 61.517 62.300 0.016 0.000 1.064 272 V CB 0.853 32.715 31.823 0.065 0.000 1.197 272 V HN 1.016 nan 8.190 nan 0.000 0.451 273 M N 1.089 120.698 119.600 0.014 0.000 2.387 273 M HA 0.430 4.910 4.480 0.001 0.000 0.215 273 M C -1.029 175.266 176.300 -0.008 0.000 0.973 273 M CA -0.055 55.242 55.300 -0.007 0.000 0.924 273 M CB 0.812 33.390 32.600 -0.037 0.000 2.471 273 M HN 0.533 nan 8.290 nan 0.000 0.445 274 C N 1.275 120.574 119.300 -0.002 0.000 2.548 274 C HA 0.537 4.998 4.460 0.001 0.000 0.412 274 C C 1.755 176.735 174.990 -0.016 0.000 1.588 274 C CA -0.129 58.891 59.018 0.003 0.000 1.861 274 C CB 1.536 29.287 27.740 0.018 0.000 1.983 274 C HN 1.024 nan 8.230 nan 0.000 0.497 275 E N 0.781 120.974 120.200 -0.013 0.000 2.011 275 E HA -0.030 4.321 4.350 0.001 0.000 0.191 275 E C 0.046 176.633 176.600 -0.023 0.000 0.980 275 E CA 0.842 57.228 56.400 -0.022 0.000 0.814 275 E CB -0.752 28.938 29.700 -0.016 0.000 0.775 275 E HN 0.709 nan 8.360 nan 0.000 0.454 276 D N 1.873 122.263 120.400 -0.016 0.000 2.554 276 D HA -0.001 4.639 4.640 0.001 0.000 0.251 276 D C 0.802 177.092 176.300 -0.017 0.000 1.213 276 D CA 0.320 54.311 54.000 -0.016 0.000 0.900 276 D CB 0.866 41.659 40.800 -0.012 0.000 1.135 276 D HN 0.106 nan 8.370 nan 0.000 0.522 277 A N 3.201 126.009 122.820 -0.019 0.000 2.139 277 A HA -0.246 4.075 4.320 0.001 0.000 0.221 277 A C 2.019 179.596 177.584 -0.013 0.000 1.159 277 A CA 1.274 53.301 52.037 -0.018 0.000 0.662 277 A CB -0.308 18.682 19.000 -0.016 0.000 0.796 277 A HN 0.645 nan 8.150 nan 0.000 0.463 278 E N 0.354 120.546 120.200 -0.013 0.000 2.230 278 E HA -0.007 4.344 4.350 0.001 0.000 0.192 278 E C 1.950 178.541 176.600 -0.015 0.000 0.987 278 E CA 0.984 57.377 56.400 -0.012 0.000 0.841 278 E CB -0.342 29.350 29.700 -0.012 0.000 0.783 278 E HN 0.465 nan 8.360 nan 0.000 0.481 279 A N 1.914 124.727 122.820 -0.013 0.000 1.858 279 A HA 0.001 4.322 4.320 0.001 0.000 0.216 279 A C 2.373 179.951 177.584 -0.011 0.000 1.190 279 A CA 1.865 53.895 52.037 -0.011 0.000 0.617 279 A CB -0.924 18.074 19.000 -0.003 0.000 0.827 279 A HN 0.346 nan 8.150 nan 0.000 0.443 280 A N -0.681 122.133 122.820 -0.009 0.000 2.253 280 A HA 0.316 4.637 4.320 0.001 0.000 0.203 280 A C 1.722 179.296 177.584 -0.016 0.000 1.272 280 A CA 1.324 53.356 52.037 -0.009 0.000 0.847 280 A CB -1.036 17.960 19.000 -0.007 0.000 0.772 280 A HN 0.684 nan 8.150 nan 0.000 0.494 281 G N 0.333 109.121 108.800 -0.020 0.000 2.763 281 G HA2 -0.011 3.950 3.960 0.001 0.000 0.205 281 G HA3 -0.011 3.950 3.960 0.001 0.000 0.205 281 G C 1.561 176.440 174.900 -0.035 0.000 1.137 281 G CA 0.341 45.427 45.100 -0.023 0.000 0.839 281 G HN 0.610 nan 8.290 nan 0.000 0.596 282 R N 0.483 120.961 120.500 -0.037 0.000 2.189 282 R HA 0.123 4.463 4.340 0.001 0.000 0.223 282 R C 2.147 178.402 176.300 -0.075 0.000 1.092 282 R CA 0.750 56.821 56.100 -0.049 0.000 0.989 282 R CB -0.810 29.462 30.300 -0.047 0.000 0.876 282 R HN 0.202 nan 8.270 nan 0.000 0.457 283 V N 2.045 121.917 119.914 -0.070 0.000 2.255 283 V HA -0.249 3.872 4.120 0.001 0.000 0.247 283 V C 2.553 178.558 176.094 -0.147 0.000 1.051 283 V CA 1.601 63.837 62.300 -0.106 0.000 1.018 283 V CB -0.492 31.309 31.823 -0.037 0.000 0.641 283 V HN 0.305 nan 8.190 nan 0.000 0.445 284 L N 0.460 121.629 121.223 -0.089 0.000 1.963 284 L HA -0.214 4.127 4.340 0.001 0.000 0.220 284 L C 2.569 179.381 176.870 -0.097 0.000 1.076 284 L CA 2.832 57.624 54.840 -0.080 0.000 0.772 284 L CB -1.793 40.236 42.059 -0.050 0.000 0.892 284 L HN 0.459 nan 8.230 nan 0.000 0.435 285 G N -1.377 107.375 108.800 -0.080 0.000 2.469 285 G HA2 -0.315 3.646 3.960 0.001 0.000 0.220 285 G HA3 -0.315 3.646 3.960 0.001 0.000 0.220 285 G C 1.455 176.300 174.900 -0.092 0.000 1.136 285 G CA 0.441 45.498 45.100 -0.071 0.000 0.759 285 G HN 0.411 nan 8.290 nan 0.000 0.562 286 Q N -0.058 119.659 119.800 -0.137 0.000 2.046 286 Q HA 0.046 4.387 4.340 0.001 0.000 0.200 286 Q C 2.873 178.734 176.000 -0.233 0.000 0.975 286 Q CA 0.847 56.546 55.803 -0.173 0.000 0.836 286 Q CB -0.383 28.185 28.738 -0.283 0.000 0.896 286 Q HN 0.551 nan 8.270 nan 0.000 0.428 287 L N 0.272 121.322 121.223 -0.289 0.000 2.005 287 L HA -0.137 4.203 4.340 0.001 0.000 0.207 287 L C 2.386 179.180 176.870 -0.127 0.000 1.072 287 L CA 1.051 55.763 54.840 -0.213 0.000 0.744 287 L CB -0.576 41.379 42.059 -0.172 0.000 0.895 287 L HN 0.114 nan 8.230 nan 0.000 0.433 288 K N 0.165 120.500 120.400 -0.108 0.000 2.362 288 K HA -0.179 4.142 4.320 0.001 0.000 0.202 288 K C 1.888 178.435 176.600 -0.090 0.000 1.045 288 K CA 1.224 57.458 56.287 -0.087 0.000 0.936 288 K CB -0.012 32.449 32.500 -0.066 0.000 0.747 288 K HN 0.366 nan 8.250 nan 0.000 0.467 289 A N -0.147 122.620 122.820 -0.088 0.000 1.942 289 A HA -0.008 4.313 4.320 0.001 0.000 0.209 289 A C 1.993 179.533 177.584 -0.072 0.000 1.214 289 A CA 0.817 52.813 52.037 -0.069 0.000 0.686 289 A CB -0.195 18.776 19.000 -0.049 0.000 0.871 289 A HN 0.163 nan 8.150 nan 0.000 0.460 290 T N -0.175 114.334 114.554 -0.073 0.000 3.007 290 T HA -0.034 4.317 4.350 0.001 0.000 0.270 290 T C 1.574 176.223 174.700 -0.086 0.000 1.107 290 T CA 1.393 63.465 62.100 -0.046 0.000 1.118 290 T CB -0.050 68.818 68.868 0.001 0.000 0.889 290 T HN 0.110 nan 8.240 nan 0.000 0.506 291 V N 0.720 120.548 119.914 -0.144 0.000 3.052 291 V HA 0.079 4.200 4.120 0.001 0.000 0.254 291 V C 2.510 178.411 176.094 -0.322 0.000 1.100 291 V CA 0.868 62.993 62.300 -0.292 0.000 1.112 291 V CB -0.399 31.238 31.823 -0.310 0.000 0.738 291 V HN 0.291 nan 8.190 nan 0.000 0.469 292 R N 1.059 121.451 120.500 -0.180 0.000 2.092 292 R HA -0.059 4.281 4.340 0.001 0.000 0.231 292 R C 1.437 177.671 176.300 -0.111 0.000 1.119 292 R CA 0.951 56.973 56.100 -0.130 0.000 0.970 292 R CB -0.006 30.248 30.300 -0.078 0.000 0.864 292 R HN 0.555 nan 8.270 nan 0.000 0.440 293 R N 0.180 120.623 120.500 -0.094 0.000 4.496 293 R HA 0.205 4.545 4.340 0.001 0.000 0.211 293 R C 0.127 176.393 176.300 -0.057 0.000 1.738 293 R CA -0.051 56.014 56.100 -0.059 0.000 1.528 293 R CB -0.074 30.203 30.300 -0.039 0.000 1.414 293 R HN 0.168 nan 8.270 nan 0.000 0.812 294 N N 0.303 118.956 118.700 -0.079 0.000 2.734 294 N HA -0.064 4.677 4.740 0.001 0.000 0.364 294 N C -0.210 175.347 175.510 0.078 0.000 0.794 294 N CA 0.287 53.332 53.050 -0.008 0.000 1.726 294 N CB 0.194 38.640 38.487 -0.068 0.000 0.886 294 N HN 0.368 nan 8.380 nan 0.000 1.702 295 Y N -0.765 119.537 120.300 0.004 0.000 2.610 295 Y HA 0.621 5.172 4.550 0.001 0.000 0.254 295 Y C 1.076 176.981 175.900 0.008 0.000 1.110 295 Y CA 0.677 58.776 58.100 -0.001 0.000 1.238 295 Y CB 0.268 38.722 38.460 -0.011 0.000 1.322 295 Y HN 0.186 nan 8.280 nan 0.000 0.547 296 S N 0.651 116.194 115.700 -0.261 0.000 3.186 296 S HA -0.227 4.243 4.470 0.001 0.000 0.249 296 S C 0.220 174.771 174.600 -0.082 0.000 1.453 296 S CA 1.590 59.727 58.200 -0.105 0.000 3.213 296 S CB -1.818 61.436 63.200 0.089 0.000 0.764 296 S HN 1.104 nan 8.310 nan 0.000 0.474 297 S N 2.698 118.471 115.700 0.122 0.000 2.557 297 S HA 0.775 5.246 4.470 0.001 0.000 0.291 297 S C -2.901 171.892 174.600 0.322 0.000 1.116 297 S CA -1.293 57.018 58.200 0.185 0.000 0.992 297 S CB 2.118 65.407 63.200 0.148 0.000 1.028 297 S HN 0.441 nan 8.310 nan 0.000 0.484 298 P HA 0.209 nan 4.420 nan 0.000 0.273 298 P C -2.466 174.828 177.300 -0.011 0.000 1.252 298 P CA -0.801 62.380 63.100 0.136 0.000 0.809 298 P CB -0.599 31.151 31.700 0.084 0.000 1.017 299 P HA -0.012 nan 4.420 nan 0.000 0.271 299 P C 0.166 177.438 177.300 -0.046 0.000 1.218 299 P CA 0.022 63.088 63.100 -0.057 0.000 0.780 299 P CB 0.632 32.298 31.700 -0.057 0.000 0.901 300 N N 1.731 120.435 118.700 0.007 0.000 2.174 300 N HA -0.124 4.617 4.740 0.001 0.000 0.191 300 N C 1.510 177.056 175.510 0.061 0.000 1.059 300 N CA 0.515 53.589 53.050 0.039 0.000 0.889 300 N CB -0.736 37.806 38.487 0.092 0.000 1.069 300 N HN 0.181 nan 8.380 nan 0.000 0.461 301 F N 1.877 121.795 119.950 -0.053 0.000 2.039 301 F HA -0.203 4.324 4.527 0.001 0.000 0.296 301 F C 2.408 178.163 175.800 -0.075 0.000 1.119 301 F CA 2.371 60.335 58.000 -0.059 0.000 1.211 301 F CB -1.192 37.785 39.000 -0.037 0.000 0.956 301 F HN 0.336 nan 8.300 nan 0.000 0.496 302 G N -1.036 107.736 108.800 -0.048 0.000 2.681 302 G HA2 -0.315 3.646 3.960 0.001 0.000 0.224 302 G HA3 -0.315 3.646 3.960 0.001 0.000 0.224 302 G C 1.647 176.399 174.900 -0.247 0.000 1.100 302 G CA 1.545 46.544 45.100 -0.168 0.000 0.743 302 G HN 0.770 nan 8.290 nan 0.000 0.612 303 A N -0.436 122.230 122.820 -0.256 0.000 1.859 303 A HA 0.182 4.503 4.320 0.001 0.000 0.212 303 A C 2.197 179.700 177.584 -0.135 0.000 1.238 303 A CA 1.616 53.467 52.037 -0.310 0.000 0.613 303 A CB -0.521 18.169 19.000 -0.518 0.000 0.904 303 A HN 0.308 nan 8.150 nan 0.000 0.457 304 Q N 0.022 119.728 119.800 -0.156 0.000 2.124 304 Q HA -0.288 4.053 4.340 0.001 0.000 0.215 304 Q C 2.097 177.972 176.000 -0.210 0.000 1.015 304 Q CA 3.373 59.093 55.803 -0.139 0.000 0.890 304 Q CB -0.903 27.759 28.738 -0.126 0.000 0.966 304 Q HN 0.687 nan 8.270 nan 0.000 0.412 305 V N -2.198 117.491 119.914 -0.375 0.000 2.219 305 V HA -0.279 3.841 4.120 0.001 0.000 0.248 305 V C 2.082 177.958 176.094 -0.363 0.000 1.053 305 V CA 2.136 64.191 62.300 -0.408 0.000 1.009 305 V CB -1.513 29.964 31.823 -0.578 0.000 0.636 305 V HN 0.271 nan 8.190 nan 0.000 0.445 306 V N 1.281 120.951 119.914 -0.407 0.000 2.439 306 V HA -0.214 3.907 4.120 0.001 0.000 0.253 306 V C 2.653 178.465 176.094 -0.471 0.000 1.074 306 V CA 1.822 63.765 62.300 -0.596 0.000 1.076 306 V CB -1.958 29.541 31.823 -0.539 0.000 0.664 306 V HN 0.745 nan 8.190 nan 0.000 0.461 307 A N 0.857 123.534 122.820 -0.239 0.000 3.291 307 A HA 0.060 4.381 4.320 0.001 0.000 0.157 307 A C 2.274 179.719 177.584 -0.232 0.000 0.779 307 A CA 1.410 53.331 52.037 -0.193 0.000 1.190 307 A CB -1.394 17.570 19.000 -0.061 0.000 0.838 307 A HN 0.896 nan 8.150 nan 0.000 0.524 308 A N -1.585 121.139 122.820 -0.159 0.000 2.354 308 A HA 0.032 4.353 4.320 0.001 0.000 0.214 308 A C 1.678 179.164 177.584 -0.163 0.000 1.232 308 A CA 1.783 53.736 52.037 -0.140 0.000 0.699 308 A CB -1.029 17.912 19.000 -0.098 0.000 0.774 308 A HN 0.648 nan 8.150 nan 0.000 0.512 309 V N -1.013 118.763 119.914 -0.230 0.000 2.599 309 V HA -0.131 3.990 4.120 0.001 0.000 0.245 309 V C 2.100 178.027 176.094 -0.279 0.000 1.046 309 V CA 1.834 63.989 62.300 -0.243 0.000 1.065 309 V CB -0.362 31.271 31.823 -0.317 0.000 0.703 309 V HN 0.707 nan 8.190 nan 0.000 0.464 310 L N -1.562 119.459 121.223 -0.337 0.000 2.554 310 L HA 0.283 4.623 4.340 0.001 0.000 0.225 310 L C 1.666 178.407 176.870 -0.216 0.000 1.104 310 L CA 0.801 55.443 54.840 -0.329 0.000 0.866 310 L CB -0.755 41.054 42.059 -0.416 0.000 1.047 310 L HN 0.189 nan 8.230 nan 0.000 0.468 311 N N -0.203 118.387 118.700 -0.184 0.000 2.333 311 N HA -0.080 4.661 4.740 0.001 0.000 0.178 311 N C 0.247 175.698 175.510 -0.098 0.000 1.018 311 N CA 0.245 53.218 53.050 -0.128 0.000 0.882 311 N CB 0.279 38.698 38.487 -0.113 0.000 0.984 311 N HN 0.206 nan 8.380 nan 0.000 0.434 312 D N 1.167 121.507 120.400 -0.100 0.000 2.411 312 D HA 0.030 4.670 4.640 0.001 0.000 0.225 312 D C 0.714 176.976 176.300 -0.063 0.000 1.156 312 D CA -0.047 53.911 54.000 -0.070 0.000 0.874 312 D CB 0.638 41.400 40.800 -0.064 0.000 1.034 312 D HN -0.023 nan 8.370 nan 0.000 0.502 313 E N 2.781 122.952 120.200 -0.048 0.000 2.147 313 E HA -0.234 4.116 4.350 0.001 0.000 0.199 313 E C 1.698 178.289 176.600 -0.015 0.000 1.005 313 E CA 1.197 57.577 56.400 -0.034 0.000 0.810 313 E CB -0.200 29.485 29.700 -0.025 0.000 0.736 313 E HN 0.646 nan 8.360 nan 0.000 0.460 314 A N 0.942 123.754 122.820 -0.012 0.000 1.902 314 A HA -0.147 4.174 4.320 0.001 0.000 0.217 314 A C 2.345 179.938 177.584 0.015 0.000 1.181 314 A CA 1.315 53.353 52.037 0.002 0.000 0.623 314 A CB -0.623 18.377 19.000 -0.001 0.000 0.818 314 A HN 0.242 nan 8.150 nan 0.000 0.443 315 L N -1.316 119.907 121.223 0.001 0.000 2.313 315 L HA 0.006 4.346 4.340 0.001 0.000 0.214 315 L C 2.366 179.265 176.870 0.048 0.000 1.119 315 L CA 1.345 56.196 54.840 0.018 0.000 0.809 315 L CB -0.411 41.633 42.059 -0.026 0.000 0.933 315 L HN 0.349 nan 8.230 nan 0.000 0.449 316 K N 0.967 121.371 120.400 0.006 0.000 2.148 316 K HA -0.080 4.241 4.320 0.001 0.000 0.204 316 K C 2.124 178.821 176.600 0.161 0.000 1.050 316 K CA 1.031 57.332 56.287 0.024 0.000 0.942 316 K CB 0.046 32.520 32.500 -0.042 0.000 0.724 316 K HN 0.282 nan 8.250 nan 0.000 0.446 317 A N 0.477 123.359 122.820 0.103 0.000 1.826 317 A HA -0.144 4.177 4.320 0.001 0.000 0.214 317 A C 2.087 179.733 177.584 0.104 0.000 1.212 317 A CA 1.817 53.908 52.037 0.090 0.000 0.605 317 A CB -1.309 17.720 19.000 0.047 0.000 0.861 317 A HN 0.425 nan 8.150 nan 0.000 0.447 318 S N -1.696 114.059 115.700 0.091 0.000 2.423 318 S HA -0.265 4.206 4.470 0.001 0.000 0.238 318 S C 1.692 176.350 174.600 0.097 0.000 1.028 318 S CA 2.002 60.247 58.200 0.075 0.000 1.000 318 S CB -0.615 62.628 63.200 0.072 0.000 0.797 318 S HN 0.708 nan 8.310 nan 0.000 0.487 319 W N 1.115 122.389 121.300 -0.043 0.000 2.444 319 W HA 0.127 4.788 4.660 0.001 0.000 0.308 319 W C 1.945 178.398 176.519 -0.109 0.000 1.183 319 W CA 0.801 58.110 57.345 -0.061 0.000 1.340 319 W CB -0.729 28.709 29.460 -0.037 0.000 1.138 319 W HN 0.332 nan 8.180 nan 0.000 0.510 320 L N 1.987 123.316 121.223 0.177 0.000 2.081 320 L HA -0.094 4.246 4.340 0.001 0.000 0.212 320 L C 2.196 178.898 176.870 -0.279 0.000 1.080 320 L CA 2.771 57.533 54.840 -0.130 0.000 0.754 320 L CB -1.458 40.683 42.059 0.138 0.000 0.893 320 L HN 0.130 nan 8.230 nan 0.000 0.433 321 A N -0.809 121.918 122.820 -0.154 0.000 1.854 321 A HA -0.207 4.114 4.320 0.001 0.000 0.214 321 A C 2.300 179.767 177.584 -0.195 0.000 1.192 321 A CA 1.437 53.392 52.037 -0.137 0.000 0.611 321 A CB -0.715 18.248 19.000 -0.062 0.000 0.832 321 A HN 0.577 nan 8.150 nan 0.000 0.442 322 E N -0.465 119.604 120.200 -0.218 0.000 2.023 322 E HA -0.171 4.180 4.350 0.001 0.000 0.196 322 E C 1.904 178.288 176.600 -0.360 0.000 1.003 322 E CA 1.605 57.870 56.400 -0.225 0.000 0.809 322 E CB -0.323 29.259 29.700 -0.198 0.000 0.755 322 E HN 0.215 nan 8.360 nan 0.000 0.449 323 V N 0.954 120.479 119.914 -0.647 0.000 2.380 323 V HA -0.290 3.831 4.120 0.001 0.000 0.251 323 V C 2.311 178.016 176.094 -0.647 0.000 1.063 323 V CA 2.547 64.330 62.300 -0.861 0.000 1.055 323 V CB -0.397 30.530 31.823 -1.494 0.000 0.657 323 V HN 0.395 nan 8.190 nan 0.000 0.455 324 E N 0.583 120.500 120.200 -0.473 0.000 2.047 324 E HA -0.243 4.107 4.350 0.001 0.000 0.191 324 E C 2.250 178.749 176.600 -0.168 0.000 0.987 324 E CA 2.009 58.235 56.400 -0.291 0.000 0.799 324 E CB -0.619 28.958 29.700 -0.205 0.000 0.752 324 E HN 0.738 nan 8.360 nan 0.000 0.449 325 E N -0.076 120.036 120.200 -0.146 0.000 2.153 325 E HA -0.197 4.154 4.350 0.001 0.000 0.194 325 E C 1.892 178.483 176.600 -0.015 0.000 0.988 325 E CA 1.350 57.712 56.400 -0.064 0.000 0.811 325 E CB -0.125 29.542 29.700 -0.056 0.000 0.746 325 E HN 0.343 nan 8.360 nan 0.000 0.466 326 M N 0.648 120.220 119.600 -0.046 0.000 2.108 326 M HA -0.186 4.295 4.480 0.001 0.000 0.261 326 M C 2.602 179.027 176.300 0.208 0.000 1.066 326 M CA 1.671 57.013 55.300 0.069 0.000 1.107 326 M CB -0.838 31.737 32.600 -0.041 0.000 1.356 326 M HN 0.168 nan 8.290 nan 0.000 0.406 327 R N -0.227 120.400 120.500 0.212 0.000 2.240 327 R HA -0.021 4.320 4.340 0.001 0.000 0.203 327 R C 1.687 178.041 176.300 0.091 0.000 1.011 327 R CA 1.122 57.361 56.100 0.231 0.000 1.007 327 R CB -0.183 30.289 30.300 0.286 0.000 0.911 327 R HN 0.165 nan 8.270 nan 0.000 0.468 328 T N 1.765 116.350 114.554 0.051 0.000 2.701 328 T HA -0.133 4.218 4.350 0.001 0.000 0.263 328 T C 1.731 176.451 174.700 0.034 0.000 1.040 328 T CA 1.940 64.057 62.100 0.027 0.000 1.147 328 T CB -0.071 68.802 68.868 0.008 0.000 0.865 328 T HN 0.537 nan 8.240 nan 0.000 0.426 329 R N 0.939 121.469 120.500 0.049 0.000 2.075 329 R HA 0.081 4.422 4.340 0.001 0.000 0.232 329 R C 2.365 178.685 176.300 0.033 0.000 1.126 329 R CA 1.270 57.397 56.100 0.045 0.000 0.963 329 R CB -0.851 29.489 30.300 0.067 0.000 0.858 329 R HN 0.300 nan 8.270 nan 0.000 0.435 330 I N 1.428 122.025 120.570 0.044 0.000 2.145 330 I HA -0.290 3.880 4.170 0.001 0.000 0.244 330 I C 1.904 178.012 176.117 -0.014 0.000 1.075 330 I CA 1.601 62.900 61.300 -0.002 0.000 1.332 330 I CB -0.267 37.711 38.000 -0.037 0.000 1.033 330 I HN 0.187 nan 8.210 nan 0.000 0.410 331 L N 0.204 121.430 121.223 0.004 0.000 2.627 331 L HA 0.058 4.399 4.340 0.001 0.000 0.233 331 L C 2.013 178.886 176.870 0.005 0.000 1.144 331 L CA 0.231 55.073 54.840 0.004 0.000 0.892 331 L CB -0.187 41.882 42.059 0.016 0.000 1.039 331 L HN 0.150 nan 8.230 nan 0.000 0.442 332 A N -1.268 121.555 122.820 0.005 0.000 2.140 332 A HA 0.134 4.454 4.320 0.001 0.000 0.209 332 A C 2.147 179.730 177.584 -0.003 0.000 1.181 332 A CA 0.203 52.242 52.037 0.004 0.000 0.824 332 A CB 0.067 19.072 19.000 0.009 0.000 0.879 332 A HN 0.233 nan 8.150 nan 0.000 0.480 333 M N -1.251 118.344 119.600 -0.009 0.000 2.357 333 M HA 0.083 4.563 4.480 0.001 0.000 0.266 333 M C 2.107 178.393 176.300 -0.024 0.000 1.095 333 M CA 0.910 56.200 55.300 -0.018 0.000 1.156 333 M CB -0.404 32.180 32.600 -0.027 0.000 1.365 333 M HN 0.402 nan 8.290 nan 0.000 0.447 334 R N 0.631 121.116 120.500 -0.025 0.000 2.249 334 R HA -0.127 4.213 4.340 0.001 0.000 0.230 334 R C 2.083 178.374 176.300 -0.015 0.000 1.121 334 R CA 1.248 57.333 56.100 -0.024 0.000 0.997 334 R CB 0.055 30.346 30.300 -0.015 0.000 0.867 334 R HN 0.376 nan 8.270 nan 0.000 0.465 335 Q N -0.741 119.052 119.800 -0.011 0.000 2.259 335 Q HA -0.051 4.290 4.340 0.001 0.000 0.201 335 Q C 1.471 177.461 176.000 -0.017 0.000 0.938 335 Q CA 0.691 56.490 55.803 -0.007 0.000 0.872 335 Q CB 0.367 29.104 28.738 -0.001 0.000 0.971 335 Q HN 0.197 nan 8.270 nan 0.000 0.494 336 E N 0.869 121.058 120.200 -0.018 0.000 2.204 336 E HA -0.068 4.283 4.350 0.001 0.000 0.195 336 E C 1.826 178.406 176.600 -0.033 0.000 0.990 336 E CA 0.587 56.975 56.400 -0.020 0.000 0.821 336 E CB -0.023 29.669 29.700 -0.012 0.000 0.750 336 E HN 0.198 nan 8.360 nan 0.000 0.477 337 L N -0.461 120.735 121.223 -0.045 0.000 2.240 337 L HA -0.037 4.304 4.340 0.001 0.000 0.211 337 L C 1.870 178.650 176.870 -0.149 0.000 1.106 337 L CA 0.731 55.527 54.840 -0.073 0.000 0.793 337 L CB -0.339 41.664 42.059 -0.093 0.000 0.927 337 L HN 0.069 nan 8.230 nan 0.000 0.446 338 V N -0.896 118.951 119.914 -0.112 0.000 3.235 338 V HA -0.075 4.046 4.120 0.001 0.000 0.259 338 V C 2.352 178.379 176.094 -0.112 0.000 1.133 338 V CA 0.761 62.983 62.300 -0.130 0.000 1.128 338 V CB -0.227 31.595 31.823 -0.001 0.000 0.757 338 V HN 0.348 nan 8.190 nan 0.000 0.469 339 K N 0.918 121.271 120.400 -0.077 0.000 2.005 339 K HA -0.005 4.316 4.320 0.001 0.000 0.206 339 K C 1.845 178.404 176.600 -0.068 0.000 1.044 339 K CA 1.541 57.799 56.287 -0.049 0.000 0.942 339 K CB -0.297 32.186 32.500 -0.028 0.000 0.727 339 K HN 0.512 nan 8.250 nan 0.000 0.439 340 V N 0.163 120.030 119.914 -0.078 0.000 3.630 340 V HA 0.032 4.152 4.120 0.001 0.000 0.273 340 V C 1.702 177.720 176.094 -0.128 0.000 1.248 340 V CA 0.766 63.021 62.300 -0.074 0.000 1.170 340 V CB -0.612 31.183 31.823 -0.047 0.000 0.899 340 V HN 0.143 nan 8.190 nan 0.000 0.457 341 L N -0.923 120.148 121.223 -0.253 0.000 2.547 341 L HA 0.227 4.568 4.340 0.001 0.000 0.218 341 L C 2.301 178.884 176.870 -0.477 0.000 1.048 341 L CA 0.605 55.137 54.840 -0.513 0.000 0.859 341 L CB 0.163 41.629 42.059 -0.988 0.000 1.128 341 L HN 0.236 nan 8.230 nan 0.000 0.483 342 S N -1.051 114.493 115.700 -0.259 0.000 2.603 342 S HA -0.066 4.404 4.470 0.001 0.000 0.229 342 S C 1.585 176.251 174.600 0.110 0.000 0.972 342 S CA 0.919 59.220 58.200 0.169 0.000 0.935 342 S CB -0.113 63.193 63.200 0.176 0.000 0.769 342 S HN 0.337 nan 8.310 nan 0.000 0.536 343 T N 0.857 115.425 114.554 0.023 0.000 3.056 343 T HA 0.104 4.455 4.350 0.001 0.000 0.241 343 T C 1.474 176.195 174.700 0.035 0.000 1.006 343 T CA 0.241 62.355 62.100 0.024 0.000 1.115 343 T CB 0.098 68.963 68.868 -0.005 0.000 0.939 343 T HN 0.330 nan 8.240 nan 0.000 0.462 344 E N 0.830 121.041 120.200 0.019 0.000 2.442 344 E HA 0.185 4.536 4.350 0.001 0.000 0.195 344 E C 0.386 177.044 176.600 0.097 0.000 1.030 344 E CA 0.510 56.930 56.400 0.034 0.000 0.869 344 E CB 0.360 30.058 29.700 -0.003 0.000 0.857 344 E HN 0.411 nan 8.360 nan 0.000 0.505 345 M N 1.110 120.822 119.600 0.186 0.000 3.432 345 M HA 0.133 4.613 4.480 0.001 0.000 0.390 345 M C -2.232 174.265 176.300 0.328 0.000 1.811 345 M CA -0.960 54.510 55.300 0.284 0.000 0.536 345 M CB 1.961 34.839 32.600 0.463 0.000 1.681 345 M HN -0.217 nan 8.290 nan 0.000 0.462 346 P HA -0.141 nan 4.420 nan 0.000 0.222 346 P C 0.145 177.466 177.300 0.035 0.000 1.147 346 P CA 1.476 64.655 63.100 0.133 0.000 0.790 346 P CB -0.101 31.647 31.700 0.080 0.000 0.780 347 E N -0.356 119.851 120.200 0.010 0.000 2.304 347 E HA 0.284 4.635 4.350 0.001 0.000 0.212 347 E C 0.463 176.993 176.600 -0.118 0.000 1.185 347 E CA -0.263 56.112 56.400 -0.042 0.000 1.326 347 E CB -0.229 29.462 29.700 -0.014 0.000 1.283 347 E HN 0.099 nan 8.360 nan 0.000 0.440 348 R N -0.138 120.203 120.500 -0.264 0.000 2.799 348 R HA 0.466 4.807 4.340 0.001 0.000 0.270 348 R C -1.467 174.384 176.300 -0.750 0.000 1.010 348 R CA -0.835 54.973 56.100 -0.488 0.000 0.916 348 R CB 1.156 31.092 30.300 -0.607 0.000 1.228 348 R HN -0.017 nan 8.270 nan 0.000 0.469 349 N N 1.326 119.611 118.700 -0.693 0.000 2.609 349 N HA 0.238 4.979 4.740 0.001 0.000 0.234 349 N C -0.907 174.152 175.510 -0.752 0.000 1.001 349 N CA -0.135 52.502 53.050 -0.689 0.000 0.926 349 N CB 0.493 38.591 38.487 -0.649 0.000 1.130 349 N HN 0.390 nan 8.380 nan 0.000 0.510 350 F N -0.109 119.729 119.950 -0.187 0.000 2.692 350 F HA 0.182 4.710 4.527 0.001 0.000 0.303 350 F C 1.215 176.936 175.800 -0.131 0.000 1.114 350 F CA -0.313 57.623 58.000 -0.106 0.000 1.361 350 F CB 0.111 39.086 39.000 -0.042 0.000 1.063 350 F HN 0.326 nan 8.300 nan 0.000 0.550 351 D N -0.504 119.783 120.400 -0.188 0.000 2.178 351 D HA -0.193 4.448 4.640 0.001 0.000 0.201 351 D C 1.915 178.197 176.300 -0.030 0.000 0.980 351 D CA 1.419 55.337 54.000 -0.136 0.000 0.842 351 D CB -0.398 40.264 40.800 -0.229 0.000 0.948 351 D HN 0.227 nan 8.370 nan 0.000 0.472 352 Y N 0.633 120.977 120.300 0.073 0.000 2.097 352 Y HA -0.093 4.458 4.550 0.001 0.000 0.282 352 Y C 2.165 178.126 175.900 0.103 0.000 1.152 352 Y CA 0.630 58.783 58.100 0.088 0.000 1.136 352 Y CB -1.094 37.424 38.460 0.096 0.000 0.975 352 Y HN -0.031 nan 8.280 nan 0.000 0.498 353 L N -0.964 120.424 121.223 0.276 0.000 2.599 353 L HA 0.022 4.363 4.340 0.001 0.000 0.230 353 L C 1.891 178.826 176.870 0.110 0.000 1.141 353 L CA 0.385 55.330 54.840 0.175 0.000 0.877 353 L CB -0.591 41.559 42.059 0.152 0.000 1.009 353 L HN 0.200 nan 8.230 nan 0.000 0.447 354 L N 0.026 121.313 121.223 0.108 0.000 2.071 354 L HA -0.089 4.251 4.340 0.001 0.000 0.201 354 L C 2.100 179.008 176.870 0.064 0.000 1.076 354 L CA 1.457 56.339 54.840 0.070 0.000 0.755 354 L CB -0.153 41.941 42.059 0.059 0.000 0.915 354 L HN 0.430 nan 8.230 nan 0.000 0.445 355 N N -0.845 117.902 118.700 0.079 0.000 2.106 355 N HA -0.169 4.572 4.740 0.001 0.000 0.188 355 N C 0.392 175.949 175.510 0.079 0.000 1.029 355 N CA 0.221 53.315 53.050 0.073 0.000 0.848 355 N CB -0.328 38.206 38.487 0.078 0.000 1.007 355 N HN 0.230 nan 8.380 nan 0.000 0.423 356 Q N 1.807 121.668 119.800 0.100 0.000 2.851 356 Q HA -0.103 4.238 4.340 0.001 0.000 0.319 356 Q C -0.397 175.641 176.000 0.063 0.000 1.225 356 Q CA 0.603 56.464 55.803 0.096 0.000 1.110 356 Q CB -0.052 28.751 28.738 0.109 0.000 1.128 356 Q HN 0.416 nan 8.270 nan 0.000 0.440 357 R N 0.888 121.429 120.500 0.067 0.000 2.541 357 R HA 0.725 5.066 4.340 0.001 0.000 0.263 357 R C 0.559 176.872 176.300 0.022 0.000 1.112 357 R CA -0.193 55.934 56.100 0.046 0.000 1.170 357 R CB 0.652 30.994 30.300 0.071 0.000 1.167 357 R HN 0.679 nan 8.270 nan 0.000 0.582 358 G N -0.122 108.662 108.800 -0.027 0.000 2.498 358 G HA2 -0.213 3.748 3.960 0.001 0.000 0.651 358 G HA3 -0.213 3.748 3.960 0.001 0.000 0.651 358 G C -0.151 174.562 174.900 -0.312 0.000 1.284 358 G CA -0.088 44.939 45.100 -0.120 0.000 0.950 358 G HN 0.649 nan 8.290 nan 0.000 0.511 359 M N -0.697 118.546 119.600 -0.596 0.000 2.495 359 M HA 0.544 5.025 4.480 0.001 0.000 0.237 359 M C -0.585 175.154 176.300 -0.935 0.000 1.131 359 M CA 0.494 55.279 55.300 -0.860 0.000 1.032 359 M CB 0.031 31.856 32.600 -1.291 0.000 1.513 359 M HN 0.314 nan 8.290 nan 0.000 0.488 360 F N -0.515 119.272 119.950 -0.272 0.000 2.539 360 F HA 0.465 4.993 4.527 0.001 0.000 0.318 360 F C -0.501 175.221 175.800 -0.131 0.000 1.135 360 F CA -0.805 57.085 58.000 -0.183 0.000 0.915 360 F CB 2.022 40.901 39.000 -0.201 0.000 1.176 360 F HN -0.245 nan 8.300 nan 0.000 0.440 361 S N 2.017 117.785 115.700 0.113 0.000 2.538 361 S HA 0.493 4.964 4.470 0.001 0.000 0.288 361 S C -1.643 173.060 174.600 0.172 0.000 1.108 361 S CA -0.629 57.620 58.200 0.083 0.000 0.971 361 S CB 1.369 64.589 63.200 0.032 0.000 1.041 361 S HN 0.362 nan 8.310 nan 0.000 0.483 362 Y N 2.433 122.684 120.300 -0.082 0.000 2.308 362 Y HA 0.271 4.822 4.550 0.001 0.000 0.329 362 Y C 1.957 177.861 175.900 0.005 0.000 1.111 362 Y CA -0.811 57.242 58.100 -0.078 0.000 1.179 362 Y CB 1.105 39.439 38.460 -0.210 0.000 1.201 362 Y HN 0.843 nan 8.280 nan 0.000 0.483 363 T N -1.067 113.469 114.554 -0.031 0.000 3.044 363 T HA 0.197 4.548 4.350 0.001 0.000 0.255 363 T C 1.280 175.984 174.700 0.007 0.000 1.073 363 T CA 0.406 62.490 62.100 -0.027 0.000 1.125 363 T CB -0.271 68.534 68.868 -0.106 0.000 0.908 363 T HN 1.084 nan 8.240 nan 0.000 0.480 364 G N 1.728 110.501 108.800 -0.044 0.000 2.256 364 G HA2 -0.152 3.809 3.960 0.001 0.000 0.272 364 G HA3 -0.152 3.809 3.960 0.001 0.000 0.272 364 G C -0.287 174.600 174.900 -0.020 0.000 1.076 364 G CA 0.150 45.254 45.100 0.007 0.000 0.882 364 G HN 0.696 nan 8.290 nan 0.000 0.497 365 L N 0.158 121.343 121.223 -0.064 0.000 2.354 365 L HA 0.735 5.075 4.340 0.001 0.000 0.269 365 L C 0.992 177.833 176.870 -0.048 0.000 1.005 365 L CA -0.808 54.010 54.840 -0.037 0.000 0.819 365 L CB 2.018 44.060 42.059 -0.027 0.000 1.311 365 L HN 0.347 nan 8.230 nan 0.000 0.423 366 S N 0.565 116.252 115.700 -0.021 0.000 2.579 366 S HA 0.275 4.745 4.470 0.001 0.000 0.275 366 S C 1.244 175.834 174.600 -0.017 0.000 1.345 366 S CA -0.115 58.075 58.200 -0.018 0.000 1.031 366 S CB 1.536 64.734 63.200 -0.004 0.000 0.892 366 S HN 0.776 nan 8.310 nan 0.000 0.529 367 A N 2.439 125.249 122.820 -0.016 0.000 2.042 367 A HA -0.025 4.296 4.320 0.001 0.000 0.222 367 A C 2.314 179.901 177.584 0.004 0.000 1.167 367 A CA 2.013 54.044 52.037 -0.009 0.000 0.649 367 A CB -1.576 17.422 19.000 -0.003 0.000 0.809 367 A HN 1.317 nan 8.150 nan 0.000 0.457 368 A N -0.488 122.337 122.820 0.007 0.000 1.841 368 A HA -0.206 4.115 4.320 0.001 0.000 0.214 368 A C 2.092 179.689 177.584 0.023 0.000 1.195 368 A CA 1.519 53.565 52.037 0.016 0.000 0.611 368 A CB -0.681 18.328 19.000 0.015 0.000 0.835 368 A HN 0.646 nan 8.150 nan 0.000 0.443 369 Q N -0.149 119.663 119.800 0.020 0.000 2.096 369 Q HA -0.202 4.138 4.340 0.001 0.000 0.208 369 Q C 2.186 178.205 176.000 0.031 0.000 0.993 369 Q CA 2.012 57.833 55.803 0.029 0.000 0.862 369 Q CB -0.812 27.938 28.738 0.021 0.000 0.915 369 Q HN 0.501 nan 8.270 nan 0.000 0.416 370 V N 2.110 122.034 119.914 0.016 0.000 2.233 370 V HA -0.271 3.850 4.120 0.001 0.000 0.247 370 V C 1.963 178.068 176.094 0.020 0.000 1.050 370 V CA 2.164 64.473 62.300 0.015 0.000 1.010 370 V CB -0.719 31.108 31.823 0.007 0.000 0.637 370 V HN 0.336 nan 8.190 nan 0.000 0.444 371 D N -0.316 120.098 120.400 0.024 0.000 2.172 371 D HA -0.255 4.386 4.640 0.001 0.000 0.196 371 D C 2.299 178.617 176.300 0.029 0.000 0.999 371 D CA 1.854 55.869 54.000 0.025 0.000 0.856 371 D CB -0.204 40.613 40.800 0.027 0.000 0.934 371 D HN 0.426 nan 8.370 nan 0.000 0.453 372 R N 0.714 121.247 120.500 0.055 0.000 2.083 372 R HA -0.165 4.176 4.340 0.001 0.000 0.237 372 R C 2.437 178.838 176.300 0.168 0.000 1.137 372 R CA 1.110 57.269 56.100 0.098 0.000 0.951 372 R CB -0.292 30.090 30.300 0.136 0.000 0.851 372 R HN 0.124 nan 8.270 nan 0.000 0.434 373 L N 0.818 122.144 121.223 0.172 0.000 2.109 373 L HA -0.041 4.299 4.340 0.001 0.000 0.207 373 L C 2.534 179.401 176.870 -0.004 0.000 1.086 373 L CA 1.473 56.451 54.840 0.230 0.000 0.760 373 L CB -0.418 41.663 42.059 0.036 0.000 0.910 373 L HN 0.210 nan 8.230 nan 0.000 0.437 374 R N -0.151 120.271 120.500 -0.129 0.000 2.357 374 R HA -0.070 4.270 4.340 0.001 0.000 0.202 374 R C 1.363 177.515 176.300 -0.247 0.000 1.047 374 R CA 1.320 57.190 56.100 -0.384 0.000 1.034 374 R CB -0.265 29.929 30.300 -0.176 0.000 0.875 374 R HN 0.431 nan 8.270 nan 0.000 0.473 375 E N -0.736 119.402 120.200 -0.103 0.000 2.717 375 E HA 0.062 4.413 4.350 0.001 0.000 0.204 375 E C 1.077 177.629 176.600 -0.080 0.000 0.911 375 E CA -0.081 56.285 56.400 -0.056 0.000 1.370 375 E CB 0.265 29.952 29.700 -0.023 0.000 1.315 375 E HN 0.305 nan 8.360 nan 0.000 0.643 376 E N 0.465 120.611 120.200 -0.090 0.000 2.004 376 E HA -0.103 4.248 4.350 0.001 0.000 0.192 376 E C 1.745 178.148 176.600 -0.329 0.000 0.987 376 E CA 1.222 57.456 56.400 -0.277 0.000 0.822 376 E CB -0.059 29.351 29.700 -0.483 0.000 0.779 376 E HN 0.131 nan 8.360 nan 0.000 0.458 377 F N -0.620 119.266 119.950 -0.106 0.000 2.335 377 F HA 0.236 4.763 4.527 0.001 0.000 0.296 377 F C 1.528 177.260 175.800 -0.113 0.000 1.091 377 F CA 0.738 58.673 58.000 -0.109 0.000 1.399 377 F CB 0.039 38.963 39.000 -0.127 0.000 1.067 377 F HN 0.194 nan 8.300 nan 0.000 0.520 378 G N 0.830 109.647 108.800 0.029 0.000 2.309 378 G HA2 -0.061 3.900 3.960 0.001 0.000 0.183 378 G HA3 -0.061 3.900 3.960 0.001 0.000 0.183 378 G C -0.683 174.112 174.900 -0.175 0.000 1.063 378 G CA -0.236 44.793 45.100 -0.118 0.000 0.768 378 G HN 0.240 nan 8.290 nan 0.000 0.490 379 V N -0.102 119.659 119.914 -0.256 0.000 2.350 379 V HA 0.648 4.769 4.120 0.001 0.000 0.285 379 V C -0.250 175.712 176.094 -0.220 0.000 1.014 379 V CA -1.509 60.729 62.300 -0.104 0.000 0.831 379 V CB 0.399 32.245 31.823 0.039 0.000 1.000 379 V HN 0.279 nan 8.190 nan 0.000 0.433 380 Y N 5.987 126.382 120.300 0.157 0.000 2.328 380 Y HA 0.845 5.396 4.550 0.001 0.000 0.337 380 Y C -0.097 175.855 175.900 0.087 0.000 1.008 380 Y CA -0.984 57.193 58.100 0.129 0.000 1.129 380 Y CB 1.322 39.882 38.460 0.166 0.000 1.185 380 Y HN 0.584 nan 8.280 nan 0.000 0.476 381 L N 2.143 123.473 121.223 0.177 0.000 2.600 381 L HA 0.544 4.884 4.340 0.001 0.000 0.257 381 L C -0.392 176.524 176.870 0.077 0.000 1.048 381 L CA -1.078 53.828 54.840 0.110 0.000 0.869 381 L CB 1.198 43.289 42.059 0.054 0.000 1.482 381 L HN 0.516 nan 8.230 nan 0.000 0.408 382 I N 1.070 121.671 120.570 0.052 0.000 3.205 382 I HA -0.017 4.153 4.170 0.001 0.000 0.287 382 I C 1.186 177.298 176.117 -0.008 0.000 1.266 382 I CA 0.522 61.837 61.300 0.025 0.000 1.378 382 I CB 1.326 39.336 38.000 0.017 0.000 1.347 382 I HN 0.930 nan 8.210 nan 0.000 0.603 383 A N 4.291 127.107 122.820 -0.007 0.000 2.346 383 A HA 0.162 4.482 4.320 0.001 0.000 0.242 383 A C 1.195 178.747 177.584 -0.053 0.000 1.323 383 A CA 0.457 52.484 52.037 -0.017 0.000 0.940 383 A CB -0.303 18.698 19.000 0.002 0.000 0.943 383 A HN 0.740 nan 8.150 nan 0.000 0.501 384 S N -2.913 112.715 115.700 -0.120 0.000 2.648 384 S HA 0.426 4.897 4.470 0.001 0.000 0.270 384 S C 1.239 175.551 174.600 -0.481 0.000 1.082 384 S CA 0.624 58.692 58.200 -0.220 0.000 1.116 384 S CB 0.863 63.981 63.200 -0.137 0.000 1.040 384 S HN 1.239 nan 8.310 nan 0.000 0.572 385 G N 2.131 110.654 108.800 -0.462 0.000 3.709 385 G HA2 -0.113 3.848 3.960 0.001 0.000 0.196 385 G HA3 -0.113 3.848 3.960 0.001 0.000 0.196 385 G C 0.135 174.829 174.900 -0.343 0.000 1.177 385 G CA -0.208 44.596 45.100 -0.492 0.000 0.906 385 G HN 0.432 nan 8.290 nan 0.000 0.416 386 R N 1.705 121.996 120.500 -0.349 0.000 2.767 386 R HA 0.323 4.664 4.340 0.001 0.000 0.264 386 R C 0.154 176.513 176.300 0.099 0.000 0.987 386 R CA 1.360 57.551 56.100 0.152 0.000 1.114 386 R CB 0.013 30.510 30.300 0.327 0.000 0.976 386 R HN 0.989 nan 8.270 nan 0.000 0.437 387 M N 2.724 122.437 119.600 0.189 0.000 2.822 387 M HA 0.122 4.602 4.480 0.001 0.000 0.275 387 M C -1.954 174.441 176.300 0.158 0.000 1.084 387 M CA -0.806 54.585 55.300 0.150 0.000 0.814 387 M CB 0.866 33.491 32.600 0.042 0.000 1.693 387 M HN 0.691 nan 8.290 nan 0.000 0.531 388 C N 3.489 122.832 119.300 0.073 0.000 2.459 388 C HA 0.435 4.896 4.460 0.001 0.000 0.358 388 C C 1.778 176.676 174.990 -0.153 0.000 1.162 388 C CA -0.129 58.808 59.018 -0.135 0.000 1.559 388 C CB -1.369 26.327 27.740 -0.072 0.000 2.132 388 C HN 0.557 nan 8.230 nan 0.000 0.536 389 V N 5.380 125.163 119.914 -0.219 0.000 2.688 389 V HA -0.185 3.936 4.120 0.001 0.000 0.256 389 V C 2.363 178.357 176.094 -0.166 0.000 1.084 389 V CA 2.288 64.486 62.300 -0.170 0.000 1.103 389 V CB -1.089 30.625 31.823 -0.182 0.000 0.688 389 V HN 0.990 nan 8.190 nan 0.000 0.480 390 A N 0.489 123.176 122.820 -0.221 0.000 2.095 390 A HA 0.278 4.599 4.320 0.001 0.000 0.212 390 A C 2.172 179.675 177.584 -0.135 0.000 1.162 390 A CA 0.811 52.726 52.037 -0.204 0.000 0.753 390 A CB -0.522 18.316 19.000 -0.270 0.000 0.840 390 A HN 0.519 nan 8.150 nan 0.000 0.468 391 G N -0.000 108.777 108.800 -0.038 0.000 2.843 391 G HA2 0.237 4.198 3.960 0.001 0.000 0.205 391 G HA3 0.237 4.198 3.960 0.001 0.000 0.205 391 G C 0.577 175.458 174.900 -0.033 0.000 1.160 391 G CA 0.182 45.332 45.100 0.082 0.000 0.819 391 G HN 0.415 nan 8.290 nan 0.000 0.516 392 L N -1.202 119.990 121.223 -0.051 0.000 2.635 392 L HA 0.645 4.986 4.340 0.001 0.000 0.250 392 L C 0.192 177.029 176.870 -0.056 0.000 1.117 392 L CA -1.209 53.607 54.840 -0.040 0.000 0.834 392 L CB 1.139 43.181 42.059 -0.027 0.000 1.544 392 L HN 0.164 nan 8.230 nan 0.000 0.511 393 N N -2.544 116.135 118.700 -0.034 0.000 4.454 393 N HA -0.026 4.715 4.740 0.001 0.000 0.201 393 N C 0.005 175.506 175.510 -0.015 0.000 1.131 393 N CA 0.222 53.253 53.050 -0.031 0.000 0.964 393 N CB 0.410 38.871 38.487 -0.043 0.000 1.579 393 N HN 0.556 nan 8.380 nan 0.000 0.573 394 T N -0.135 114.413 114.554 -0.011 0.000 3.003 394 T HA -0.074 4.277 4.350 0.001 0.000 0.270 394 T C 1.556 176.252 174.700 -0.006 0.000 1.153 394 T CA 1.387 63.483 62.100 -0.006 0.000 1.089 394 T CB -0.413 68.452 68.868 -0.004 0.000 0.838 394 T HN 0.624 nan 8.240 nan 0.000 0.562 395 A N 2.522 125.337 122.820 -0.008 0.000 1.898 395 A HA -0.027 4.294 4.320 0.001 0.000 0.214 395 A C 2.329 179.911 177.584 -0.003 0.000 1.183 395 A CA 0.971 53.003 52.037 -0.007 0.000 0.622 395 A CB -0.280 18.713 19.000 -0.011 0.000 0.824 395 A HN 0.612 nan 8.150 nan 0.000 0.444 396 N N 0.048 118.749 118.700 0.001 0.000 2.288 396 N HA 0.016 4.757 4.740 0.001 0.000 0.199 396 N C 1.580 177.100 175.510 0.016 0.000 1.043 396 N CA 1.292 54.351 53.050 0.014 0.000 0.947 396 N CB -0.763 37.740 38.487 0.027 0.000 1.140 396 N HN 0.114 nan 8.380 nan 0.000 0.490 397 V N 1.884 121.816 119.914 0.030 0.000 2.378 397 V HA -0.445 3.675 4.120 0.001 0.000 0.169 397 V C 2.404 178.516 176.094 0.029 0.000 0.985 397 V CA 2.814 65.139 62.300 0.041 0.000 1.533 397 V CB -1.700 30.133 31.823 0.016 0.000 1.063 397 V HN 0.419 nan 8.190 nan 0.000 0.467 398 Q N -0.368 119.430 119.800 -0.002 0.000 2.030 398 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 398 Q C 2.392 178.356 176.000 -0.060 0.000 0.986 398 Q CA 2.165 57.952 55.803 -0.027 0.000 0.843 398 Q CB -0.410 28.314 28.738 -0.023 0.000 0.904 398 Q HN 0.757 nan 8.270 nan 0.000 0.420 399 R N 0.903 121.374 120.500 -0.048 0.000 2.159 399 R HA -0.155 4.186 4.340 0.001 0.000 0.237 399 R C 1.729 177.944 176.300 -0.142 0.000 1.131 399 R CA 1.625 57.687 56.100 -0.063 0.000 0.982 399 R CB -0.109 30.176 30.300 -0.026 0.000 0.868 399 R HN 0.277 nan 8.270 nan 0.000 0.453 400 V N -0.011 119.812 119.914 -0.152 0.000 2.379 400 V HA 0.026 4.147 4.120 0.001 0.000 0.243 400 V C 2.662 178.227 176.094 -0.882 0.000 1.035 400 V CA 1.186 63.279 62.300 -0.345 0.000 1.035 400 V CB -1.286 30.607 31.823 0.117 0.000 0.673 400 V HN 0.395 nan 8.190 nan 0.000 0.457 401 A N 1.267 123.912 122.820 -0.292 0.000 1.909 401 A HA -0.363 3.957 4.320 0.001 0.000 0.221 401 A C 2.246 179.573 177.584 -0.428 0.000 1.223 401 A CA 2.954 54.905 52.037 -0.144 0.000 0.658 401 A CB -0.722 18.255 19.000 -0.039 0.000 0.831 401 A HN 0.648 nan 8.150 nan 0.000 0.462 402 K N -0.491 119.678 120.400 -0.384 0.000 2.365 402 K HA 0.209 4.529 4.320 0.001 0.000 0.199 402 K C 2.148 178.457 176.600 -0.486 0.000 1.045 402 K CA 0.627 56.730 56.287 -0.306 0.000 0.962 402 K CB -0.237 32.170 32.500 -0.156 0.000 0.759 402 K HN 0.488 nan 8.250 nan 0.000 0.469 403 A N 1.533 123.821 122.820 -0.886 0.000 1.858 403 A HA -0.145 4.175 4.320 0.001 0.000 0.216 403 A C 1.903 178.830 177.584 -1.096 0.000 1.190 403 A CA 1.355 52.643 52.037 -1.249 0.000 0.617 403 A CB -0.654 17.583 19.000 -1.271 0.000 0.827 403 A HN 0.292 nan 8.150 nan 0.000 0.443 404 F N -0.164 119.561 119.950 -0.374 0.000 2.187 404 F HA 0.257 4.785 4.527 0.001 0.000 0.295 404 F C 2.602 178.316 175.800 -0.144 0.000 1.091 404 F CA 0.343 58.197 58.000 -0.244 0.000 1.308 404 F CB -1.102 37.804 39.000 -0.156 0.000 1.030 404 F HN 0.170 nan 8.300 nan 0.000 0.487 405 A N 0.592 123.424 122.820 0.020 0.000 2.131 405 A HA 0.024 4.345 4.320 0.001 0.000 0.220 405 A C 2.312 179.898 177.584 0.002 0.000 1.158 405 A CA 1.624 53.688 52.037 0.045 0.000 0.665 405 A CB -1.124 17.877 19.000 0.001 0.000 0.795 405 A HN 0.418 nan 8.150 nan 0.000 0.460 406 A N -0.603 122.165 122.820 -0.087 0.000 1.878 406 A HA 0.172 4.493 4.320 0.001 0.000 0.213 406 A C 2.154 179.746 177.584 0.013 0.000 1.192 406 A CA 1.265 53.282 52.037 -0.035 0.000 0.619 406 A CB -0.799 18.171 19.000 -0.050 0.000 0.837 406 A HN 0.418 nan 8.150 nan 0.000 0.446 407 V N 1.309 121.204 119.914 -0.032 0.000 2.233 407 V HA -0.224 3.896 4.120 0.001 0.000 0.247 407 V C 1.819 177.943 176.094 0.049 0.000 1.050 407 V CA 1.939 64.255 62.300 0.027 0.000 1.010 407 V CB -1.489 30.339 31.823 0.009 0.000 0.637 407 V HN 0.709 nan 8.190 nan 0.000 0.444 408 M N 0.000 119.636 119.600 0.059 0.000 2.572 408 M HA 0.000 4.481 4.480 0.001 0.000 0.227 408 M CA 0.000 55.341 55.300 0.069 0.000 0.988 408 M CB 0.000 32.656 32.600 0.093 0.000 1.302 408 M HN 0.000 nan 8.290 nan 0.000 0.411