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_E 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 0.000 176.311 176.300 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 1.984 121.937 119.950 0.005 0.000 2.441 6 F HA 0.374 4.901 4.527 0.001 0.000 0.337 6 F C 0.885 176.690 175.800 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 0.375 120.185 119.800 0.016 0.000 2.245 7 Q HA 0.118 4.459 4.340 0.001 0.000 0.236 7 Q C 0.920 176.945 176.000 0.041 0.000 0.842 7 Q CA 0.185 55.986 55.803 -0.004 0.000 0.945 7 Q CB -0.061 28.639 28.738 -0.064 0.000 1.122 7 Q HN 0.518 nan 8.270 nan 0.000 0.506 8 K N 1.277 121.713 120.400 0.060 0.000 2.574 8 K HA 0.062 4.383 4.320 0.001 0.000 0.193 8 K C 0.137 176.777 176.600 0.068 0.000 1.035 8 K CA 0.148 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 2.434 122.404 119.914 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 4.960 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 3.452 126.316 122.820 0.073 0.000 2.462 11 A HA 0.085 4.406 4.320 0.001 0.000 0.243 11 A C -0.464 177.190 177.584 0.117 0.000 1.076 11 A CA 0.043 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 0.539 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 0.407 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 58.667 58.100 -0.000 0.000 1.241 12 Y CB 1.614 40.072 38.460 -0.003 0.000 1.235 12 Y HN 0.770 nan 8.280 nan 0.000 0.492 13 A N 2.776 125.563 122.820 -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 1.781 53.807 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 -1.233 107.685 108.800 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 -0.377 174.582 174.900 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 1.970 122.402 120.400 0.053 0.000 2.363 15 D HA 0.486 5.127 4.640 0.001 0.000 0.258 15 D C -1.522 174.792 176.300 0.023 0.000 1.259 15 D CA -0.945 53.072 54.000 0.028 0.000 0.921 15 D CB 1.740 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 1.214 178.527 177.300 0.021 0.000 1.178 16 P CA 0.350 63.461 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 0.166 4.337 4.170 0.001 0.000 0.326 17 I C 1.615 177.748 176.117 0.027 0.000 1.283 17 I CA 0.311 61.624 61.300 0.022 0.000 1.161 17 I CB -0.439 37.566 38.000 0.008 0.000 1.012 17 I HN -0.232 nan 8.210 nan 0.000 0.421 18 L N 0.012 121.249 121.223 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 -0.628 41.441 42.059 0.017 0.000 1.115 18 L HN 0.098 nan 8.230 nan 0.000 0.481 19 T N -0.118 114.455 114.554 0.031 0.000 2.995 19 T HA -0.004 4.347 4.350 0.001 0.000 0.269 19 T C 1.760 176.490 174.700 0.050 0.000 1.091 19 T CA 1.196 63.318 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 -0.005 121.253 121.223 0.058 0.000 2.465 20 L HA 0.045 4.386 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 -0.732 118.872 119.600 0.007 0.000 2.319 21 M HA -0.102 4.378 4.480 0.001 0.000 0.265 21 M C 2.114 178.418 176.300 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 0.111 nan 8.290 nan 0.000 0.435 22 E N -0.700 119.517 120.200 0.029 0.000 2.033 22 E HA -0.068 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 0.562 56.986 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 2.031 178.373 176.300 0.071 0.000 1.161 23 R CA 0.750 56.918 56.100 0.114 0.000 0.997 23 R CB -0.548 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 0.943 120.711 119.950 -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 58.841 58.000 -0.569 0.000 1.208 24 F CB -0.255 38.219 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 0.248 0.000 2.286 25 K HA -0.167 4.154 4.320 0.001 0.000 0.203 25 K C 1.727 178.322 176.600 -0.008 0.000 1.045 25 K CA 1.489 57.864 56.287 0.147 0.000 0.935 25 K CB -0.139 32.449 32.500 0.147 0.000 0.737 25 K HN 0.357 nan 8.250 nan 0.000 0.460 26 E N 0.727 120.919 120.200 -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 0.442 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 2.668 123.033 120.400 -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 -1.878 52.093 54.000 -0.049 0.000 0.886 27 D CB 0.891 41.708 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 -0.778 176.472 177.300 -0.083 0.000 1.321 28 P CA -0.248 62.802 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 5.038 4.340 0.001 0.000 0.261 29 R C -0.275 175.980 176.300 -0.076 0.000 1.113 29 R CA -0.846 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 0.083 115.751 115.700 -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 0.254 63.437 63.200 -0.029 0.000 1.320 30 S HN 0.774 nan 8.310 nan 0.000 0.540 31 D N 0.907 121.295 120.400 -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 0.538 120.952 120.400 0.023 0.000 2.126 32 K HA 0.577 4.898 4.320 0.001 0.000 0.257 32 K C -0.453 176.263 176.600 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 -0.003 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 -1.167 175.222 176.094 0.491 0.000 1.129 33 V CA -1.128 61.378 62.300 0.343 0.000 0.932 33 V CB 1.912 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 3.161 122.025 118.700 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 -0.335 52.752 53.050 0.062 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 1.513 122.815 121.223 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 0.818 116.598 115.700 0.133 0.000 2.399 36 S HA -0.121 4.350 4.470 0.001 0.000 0.231 36 S C 1.024 175.703 174.600 0.131 0.000 1.022 36 S CA 0.072 58.349 58.200 0.128 0.000 0.983 36 S CB -0.502 62.769 63.200 0.118 0.000 0.803 36 S HN 0.195 nan 8.310 nan 0.000 0.480 37 I N 2.936 123.561 120.570 0.091 0.000 3.075 37 I HA 0.126 4.297 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 0.627 61.982 61.300 0.092 0.000 1.463 37 I CB 0.347 38.421 38.000 0.125 0.000 1.308 37 I HN 0.256 nan 8.210 nan 0.000 0.553 38 G N 7.395 116.297 108.800 0.169 0.000 3.702 38 G HA2 0.418 4.379 3.960 0.001 0.000 0.288 38 G HA3 0.418 4.379 3.960 0.001 0.000 0.288 38 G C 0.038 175.077 174.900 0.232 0.000 1.193 38 G CA -0.363 44.951 45.100 0.356 0.000 0.952 38 G HN 0.483 nan 8.290 nan 0.000 0.544 39 L N -1.994 119.206 121.223 -0.039 0.000 2.242 39 L HA 0.646 4.987 4.340 0.001 0.000 0.261 39 L C -0.358 176.348 176.870 -0.273 0.000 1.052 39 L CA -1.624 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 -0.437 119.640 120.300 -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 -0.896 56.993 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 2.847 122.437 120.300 -1.183 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 -0.916 0.000 1.166 41 Y CA -1.550 56.100 58.100 -0.751 0.000 1.211 41 Y CB 0.471 38.693 38.460 -0.396 0.000 1.167 41 Y HN 0.748 nan 8.280 nan 0.000 0.434 42 N N 1.880 120.358 118.700 -0.370 0.000 2.344 42 N HA -0.084 4.657 4.740 0.001 0.000 0.236 42 N C 1.481 176.952 175.510 -0.065 0.000 1.279 42 N CA 0.893 53.896 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 0.788 nan 8.380 nan 0.000 0.436 43 E N 1.353 121.545 120.200 -0.013 0.000 2.108 43 E HA -0.372 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 1.667 58.056 56.400 -0.017 0.000 0.823 43 E CB -0.335 29.371 29.700 0.009 0.000 0.744 43 E HN 0.696 nan 8.360 nan 0.000 0.456 44 D N -0.181 120.221 120.400 0.003 0.000 2.417 44 D HA -0.083 4.558 4.640 0.001 0.000 0.240 44 D C 0.922 177.210 176.300 -0.019 0.000 1.062 44 D CA 1.034 55.036 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 1.321 110.090 108.800 -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 0.330 175.173 174.900 -0.094 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 0.783 121.383 120.570 0.049 0.000 2.892 46 I HA 0.618 4.789 4.170 0.001 0.000 0.306 46 I C -0.125 176.121 176.117 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 0.099 0.000 1.229 46 I HN 0.084 nan 8.210 nan 0.000 0.435 47 I N 4.440 125.158 120.570 0.247 0.000 2.312 47 I HA 0.523 4.694 4.170 0.001 0.000 0.290 47 I C -2.579 173.671 176.117 0.222 0.000 1.008 47 I CA -1.806 59.646 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 -0.918 176.476 177.300 0.156 0.000 1.269 48 P CA -0.681 62.518 63.100 0.166 0.000 0.844 48 P CB 1.354 33.141 31.700 0.145 0.000 1.094 49 Q N 1.275 121.154 119.800 0.130 0.000 2.441 49 Q HA 0.288 4.629 4.340 0.001 0.000 0.234 49 Q C -0.530 175.536 176.000 0.110 0.000 1.078 49 Q CA -0.176 55.701 55.803 0.124 0.000 0.907 49 Q CB -1.161 27.645 28.738 0.113 0.000 1.269 49 Q HN 0.303 nan 8.270 nan 0.000 0.502 50 L N 3.955 125.245 121.223 0.111 0.000 2.769 50 L HA -0.276 4.065 4.340 0.001 0.000 0.293 50 L C 1.690 178.626 176.870 0.110 0.000 1.224 50 L CA 0.206 55.102 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 3.636 123.486 119.800 0.083 0.000 2.032 51 Q HA -0.415 3.926 4.340 0.001 0.000 0.217 51 Q C 2.168 178.222 176.000 0.091 0.000 1.058 51 Q CA 2.551 58.401 55.803 0.078 0.000 0.911 51 Q CB -0.795 27.981 28.738 0.063 0.000 1.045 51 Q HN 0.955 nan 8.270 nan 0.000 0.429 52 A N 0.571 123.464 122.820 0.121 0.000 1.894 52 A HA -0.271 4.049 4.320 0.001 0.000 0.220 52 A C 2.475 180.102 177.584 0.072 0.000 1.237 52 A CA 2.916 55.019 52.037 0.110 0.000 0.660 52 A CB -1.263 17.843 19.000 0.177 0.000 0.835 52 A HN 0.284 nan 8.150 nan 0.000 0.461 53 V N -0.208 119.765 119.914 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 2.266 64.591 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 -0.011 122.844 122.820 0.058 0.000 1.859 54 A HA -0.340 3.980 4.320 0.001 0.000 0.218 54 A C 2.174 179.783 177.584 0.043 0.000 1.209 54 A CA 2.372 54.442 52.037 0.056 0.000 0.639 54 A CB -0.720 18.314 19.000 0.057 0.000 0.835 54 A HN 0.629 nan 8.150 nan 0.000 0.450 55 E N -0.405 119.815 120.200 0.033 0.000 2.160 55 E HA -0.136 4.214 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 57.238 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 0.644 nan 8.360 nan 0.000 0.466 56 A N 1.743 124.561 122.820 -0.002 0.000 1.859 56 A HA -0.326 3.995 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 2.169 54.190 52.037 -0.027 0.000 0.639 56 A CB -0.681 18.272 19.000 -0.079 0.000 0.835 56 A HN 0.180 nan 8.150 nan 0.000 0.450 57 E N -0.304 119.930 120.200 0.058 0.000 2.204 57 E HA 0.066 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 0.941 57.421 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 0.459 123.312 122.820 0.056 0.000 2.119 58 A HA -0.034 4.287 4.320 0.001 0.000 0.217 58 A C 1.772 179.374 177.584 0.031 0.000 1.153 58 A CA 0.966 53.027 52.037 0.040 0.000 0.692 58 A CB 0.037 19.057 19.000 0.033 0.000 0.799 58 A HN -0.006 nan 8.150 nan 0.000 0.458 59 R N -1.377 119.139 120.500 0.027 0.000 2.404 59 R HA 0.351 4.692 4.340 0.001 0.000 0.237 59 R C 1.372 177.682 176.300 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 0.381 121.627 121.223 0.038 0.000 2.375 60 L HA 0.149 4.489 4.340 0.001 0.000 0.215 60 L C 1.157 178.056 176.870 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 -0.820 117.909 118.700 0.047 0.000 2.368 61 N HA -0.001 4.740 4.740 0.001 0.000 0.178 61 N C 1.631 177.157 175.510 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 1.340 178.936 177.584 0.020 0.000 1.162 62 A CA 0.995 53.044 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 0.610 120.422 119.800 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 0.160 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 0.533 32.262 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 -0.088 4.469 4.556 0.001 0.000 0.302 65 H C 1.404 176.740 175.328 0.013 0.000 0.982 65 H CA 2.394 58.453 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 45.305 45.100 -0.071 0.000 0.871 66 G HN 1.303 nan 8.290 nan 0.000 0.498 67 A N -0.915 121.754 122.820 -0.253 0.000 2.434 67 A HA 0.472 4.792 4.320 0.001 0.000 0.686 67 A C 0.677 178.014 177.584 -0.413 0.000 0.139 67 A CA 0.755 52.649 52.037 -0.238 0.000 0.028 67 A CB -1.372 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 3.554 119.140 115.700 -0.191 0.000 2.870 68 S HA 0.321 4.791 4.470 0.001 0.000 0.334 68 S C 0.547 175.127 174.600 -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 4.832 126.021 121.223 -0.056 0.000 2.439 69 L HA 0.316 4.657 4.340 0.001 0.000 0.269 69 L C 1.094 178.042 176.870 0.130 0.000 1.179 69 L CA -0.946 53.917 54.840 0.038 0.000 0.828 69 L CB 0.094 42.166 42.059 0.021 0.000 1.106 69 L HN 0.512 nan 8.230 nan 0.000 0.467 70 Y N 1.787 122.095 120.300 0.013 0.000 2.280 70 Y HA -0.076 4.475 4.550 0.001 0.000 0.358 70 Y C 0.412 176.332 175.900 0.033 0.000 1.238 70 Y CA 0.932 59.045 58.100 0.023 0.000 1.513 70 Y CB 0.292 38.760 38.460 0.012 0.000 1.308 70 Y HN 0.341 nan 8.280 nan 0.000 0.745 71 L N 1.798 123.209 121.223 0.314 0.000 2.424 71 L HA 0.375 4.716 4.340 0.001 0.000 0.258 71 L C -2.438 174.541 176.870 0.182 0.000 0.995 71 L CA -2.140 52.806 54.840 0.177 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 0.317 177.651 177.300 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 0.776 120.397 119.600 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 1.327 56.627 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 -0.682 119.523 120.200 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 57.432 56.400 0.008 0.000 0.935 74 E CB 0.736 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 1.092 109.901 108.800 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 0.060 121.281 121.223 -0.004 0.000 2.703 76 L HA 0.606 4.947 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 0.057 54.921 54.840 0.041 0.000 0.936 76 L CB 1.064 43.147 42.059 0.040 0.000 1.482 76 L HN 0.307 nan 8.230 nan 0.000 0.432 77 N N 1.540 120.270 118.700 0.050 0.000 2.290 77 N HA -0.078 4.662 4.740 0.001 0.000 0.179 77 N C 1.055 176.622 175.510 0.095 0.000 1.016 77 N CA 1.332 54.398 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 0.274 119.632 119.300 0.097 0.000 2.437 78 C HA -0.048 4.412 4.460 0.001 0.000 0.283 78 C C 2.193 177.227 174.990 0.073 0.000 1.424 78 C CA 0.252 59.316 59.018 0.078 0.000 1.782 78 C CB -1.406 26.362 27.740 0.047 0.000 1.833 78 C HN 0.464 nan 8.230 nan 0.000 0.532 79 Y N 0.905 121.183 120.300 -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 1.339 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 0.425 121.043 120.500 0.197 0.000 2.165 80 R HA -0.277 4.064 4.340 0.001 0.000 0.254 80 R C 0.051 176.343 176.300 -0.013 0.000 1.153 80 R CA 2.249 58.387 56.100 0.063 0.000 0.971 80 R CB -1.270 29.003 30.300 -0.045 0.000 0.878 80 R HN 0.563 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 0.257 4.813 4.556 0.001 0.000 0.226 81 H C 0.567 175.848 175.328 -0.079 0.000 1.909 81 H CA -0.004 56.031 56.048 -0.021 0.000 1.388 81 H CB 0.440 30.196 29.762 -0.010 0.000 1.773 81 H HN 0.491 nan 8.280 nan 0.000 0.559 82 A N 1.215 124.035 122.820 0.001 0.000 2.076 82 A HA -0.021 4.299 4.320 0.001 0.000 0.163 82 A C 1.382 178.881 177.584 -0.141 0.000 2.134 82 A CA -0.266 51.701 52.037 -0.116 0.000 1.550 82 A CB -0.497 18.360 19.000 -0.239 0.000 1.518 82 A HN 0.374 nan 8.150 nan 0.000 0.301 83 I N 1.086 121.577 120.570 -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 62.846 61.300 -0.069 0.000 1.318 83 I CB -0.546 37.479 38.000 0.042 0.000 1.054 83 I HN 0.365 nan 8.210 nan 0.000 0.395 84 A N 1.662 124.516 122.820 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 0.838 178.130 177.300 -0.013 0.000 1.162 85 P CA 0.874 63.998 63.100 0.042 0.000 0.759 85 P CB -0.100 31.610 31.700 0.015 0.000 0.813 86 L N -1.842 119.349 121.223 -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 0.302 55.095 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 -1.484 119.612 121.223 -0.211 0.000 2.156 87 L HA -0.018 4.323 4.340 0.001 0.000 0.208 87 L C 0.900 177.467 176.870 -0.504 0.000 1.095 87 L CA 1.120 55.721 54.840 -0.399 0.000 0.770 87 L CB -0.468 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 1.706 121.559 119.950 -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 -0.714 57.097 58.000 -0.315 0.000 1.282 88 F CB -0.567 38.310 39.000 -0.205 0.000 1.071 88 F HN 0.128 nan 8.300 nan 0.000 0.516 89 G N 1.053 109.794 108.800 -0.099 0.000 2.707 89 G HA2 -0.161 3.800 3.960 0.001 0.000 0.279 89 G HA3 -0.161 3.800 3.960 0.001 0.000 0.279 89 G C 1.115 176.027 174.900 0.020 0.000 1.345 89 G CA 0.016 45.092 45.100 -0.040 0.000 0.912 89 G HN 0.633 nan 8.290 nan 0.000 0.563 90 A N -0.664 122.178 122.820 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 0.057 0.000 1.204 90 A CA 2.304 54.362 52.037 0.035 0.000 0.606 90 A CB -0.205 18.810 19.000 0.025 0.000 0.849 90 A HN 0.901 nan 8.150 nan 0.000 0.445 91 D N -1.126 119.323 120.400 0.082 0.000 2.462 91 D HA 0.548 5.188 4.640 0.001 0.000 0.245 91 D C -0.862 175.526 176.300 0.146 0.000 1.122 91 D CA -0.138 53.912 54.000 0.082 0.000 0.864 91 D CB 1.050 41.872 40.800 0.037 0.000 1.098 91 D HN 0.382 nan 8.370 nan 0.000 0.541 92 H N 1.218 120.278 119.070 -0.016 0.000 2.670 92 H HA 0.356 4.913 4.556 0.001 0.000 0.361 92 H C -1.590 173.690 175.328 -0.079 0.000 1.169 92 H CA -2.114 53.906 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 1.233 178.458 177.300 -0.125 0.000 1.157 93 P CA 1.887 64.885 63.100 -0.171 0.000 0.868 93 P CB 0.034 31.601 31.700 -0.223 0.000 0.788 94 V N -2.159 117.660 119.914 -0.158 0.000 2.688 94 V HA -0.202 3.919 4.120 0.001 0.000 0.256 94 V C 2.507 178.515 176.094 -0.144 0.000 1.084 94 V CA 1.318 63.500 62.300 -0.196 0.000 1.103 94 V CB -1.867 29.718 31.823 -0.397 0.000 0.688 94 V HN -0.054 nan 8.190 nan 0.000 0.480 95 L N 0.993 122.173 121.223 -0.071 0.000 1.973 95 L HA -0.044 4.296 4.340 0.001 0.000 0.208 95 L C 2.575 179.441 176.870 -0.007 0.000 1.073 95 L CA 1.953 56.790 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 -0.089 4.232 4.320 0.001 0.000 0.201 96 K C 1.829 178.413 176.600 -0.027 0.000 1.048 96 K CA 0.698 56.973 56.287 -0.020 0.000 0.956 96 K CB -0.293 32.192 32.500 -0.025 0.000 0.746 96 K HN 0.521 nan 8.250 nan 0.000 0.461 97 Q N 0.968 120.742 119.800 -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 55.720 55.803 -0.045 0.000 0.946 97 Q CB 0.010 28.709 28.738 -0.064 0.000 1.027 97 Q HN 0.269 nan 8.270 nan 0.000 0.513 98 Q N 0.291 120.077 119.800 -0.025 0.000 2.372 98 Q HA -0.238 4.102 4.340 0.001 0.000 0.333 98 Q C 0.172 176.162 176.000 -0.016 0.000 1.285 98 Q CA 0.842 56.642 55.803 -0.006 0.000 0.983 98 Q CB -1.097 27.649 28.738 0.014 0.000 1.229 98 Q HN 0.460 nan 8.270 nan 0.000 0.442 99 R N -0.830 119.645 120.500 -0.041 0.000 2.427 99 R HA 0.184 4.525 4.340 0.001 0.000 0.262 99 R C 0.236 176.514 176.300 -0.037 0.000 0.943 99 R CA 0.259 56.335 56.100 -0.040 0.000 1.081 99 R CB 0.226 30.493 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 -1.236 61.072 62.300 0.014 0.000 0.821 100 V CB 0.864 32.710 31.823 0.039 0.000 1.052 100 V HN 0.207 nan 8.190 nan 0.000 0.462 101 A N 3.988 126.825 122.820 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 -0.029 52.018 52.037 0.016 0.000 0.956 101 A CB -0.555 18.444 19.000 -0.003 0.000 1.135 101 A HN 0.901 nan 8.150 nan 0.000 0.535 102 T N 3.382 117.957 114.554 0.035 0.000 2.762 102 T HA 0.465 4.816 4.350 0.001 0.000 0.303 102 T C -0.178 174.550 174.700 0.047 0.000 0.977 102 T CA -0.051 62.083 62.100 0.056 0.000 0.961 102 T CB 0.045 68.956 68.868 0.071 0.000 0.944 102 T HN 0.685 nan 8.240 nan 0.000 0.481 103 I N 1.675 122.280 120.570 0.059 0.000 2.433 103 I HA 0.412 4.583 4.170 0.001 0.000 0.292 103 I C -0.220 175.957 176.117 0.100 0.000 1.001 103 I CA -0.822 60.515 61.300 0.062 0.000 1.119 103 I CB 1.865 39.885 38.000 0.033 0.000 1.289 103 I HN 0.515 nan 8.210 nan 0.000 0.438 104 Q N 6.018 125.888 119.800 0.117 0.000 2.293 104 Q HA 0.343 4.684 4.340 0.001 0.000 0.263 104 Q C -0.900 175.145 176.000 0.075 0.000 1.002 104 Q CA -0.145 55.735 55.803 0.128 0.000 0.910 104 Q CB 0.691 29.438 28.738 0.016 0.000 1.185 104 Q HN 0.886 nan 8.270 nan 0.000 0.401 105 T N 1.533 116.125 114.554 0.065 0.000 2.893 105 T HA 0.468 4.819 4.350 0.001 0.000 0.279 105 T C 0.176 174.870 174.700 -0.011 0.000 0.991 105 T CA -0.861 61.274 62.100 0.058 0.000 0.950 105 T CB 0.522 69.424 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 1.211 178.056 176.870 -0.041 0.000 1.111 106 L CA 0.043 54.831 54.840 -0.087 0.000 0.909 106 L CB -0.562 41.387 42.059 -0.183 0.000 1.277 106 L HN 1.155 nan 8.230 nan 0.000 0.433 107 G N 1.737 110.513 108.800 -0.039 0.000 2.955 107 G HA2 -0.174 3.786 3.960 0.001 0.000 0.604 107 G HA3 -0.174 3.786 3.960 0.001 0.000 0.604 107 G C 0.933 175.779 174.900 -0.092 0.000 1.572 107 G CA -0.309 44.754 45.100 -0.062 0.000 1.016 107 G HN 0.829 nan 8.290 nan 0.000 0.569 108 G N 0.170 108.885 108.800 -0.143 0.000 2.624 108 G HA2 -0.185 3.775 3.960 0.001 0.000 0.221 108 G HA3 -0.185 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 2.277 47.311 45.100 -0.111 0.000 0.771 108 G HN 1.546 nan 8.290 nan 0.000 0.598 109 S N 0.779 116.516 115.700 0.062 0.000 2.380 109 S HA -0.189 4.282 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 -1.112 62.210 63.200 0.203 0.000 0.984 109 S HN 0.678 nan 8.310 nan 0.000 0.434 110 G N 1.384 110.218 108.800 0.058 0.000 2.469 110 G HA2 -0.147 3.813 3.960 0.001 0.000 0.219 110 G HA3 -0.147 3.813 3.960 0.001 0.000 0.219 110 G C 1.510 176.462 174.900 0.087 0.000 1.150 110 G CA 1.303 46.434 45.100 0.051 0.000 0.763 110 G HN 0.631 nan 8.290 nan 0.000 0.561 111 A N 0.828 123.691 122.820 0.073 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 0.336 nan 8.150 nan 0.000 0.445 112 L N -0.201 121.135 121.223 0.189 0.000 2.064 112 L HA -0.311 4.030 4.340 0.001 0.000 0.216 112 L C 2.500 179.360 176.870 -0.017 0.000 1.077 112 L CA 2.163 57.100 54.840 0.161 0.000 0.766 112 L CB -0.631 41.517 42.059 0.148 0.000 0.890 112 L HN 0.468 nan 8.230 nan 0.000 0.435 113 K N 0.467 120.876 120.400 0.014 0.000 1.969 113 K HA -0.169 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 2.474 58.741 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 0.083 nan 8.250 nan 0.000 0.446 114 V N 0.741 120.713 119.914 0.097 0.000 2.278 114 V HA -0.239 3.882 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 64.691 62.300 0.142 0.000 1.038 114 V CB -1.838 30.069 31.823 0.139 0.000 0.646 114 V HN 0.605 nan 8.190 nan 0.000 0.447 115 G N -0.093 108.853 108.800 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 1.678 176.775 174.900 0.328 0.000 1.156 115 G CA 1.803 47.111 45.100 0.347 0.000 0.766 115 G HN 0.747 nan 8.290 nan 0.000 0.583 116 A N 0.301 123.199 122.820 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 1.706 53.748 52.037 0.007 0.000 0.619 116 A CB -0.439 18.156 19.000 -0.675 0.000 0.837 116 A HN 0.276 nan 8.150 nan 0.000 0.446 117 D N -1.436 119.002 120.400 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 0.177 0.000 0.977 117 D CA 1.429 55.475 54.000 0.076 0.000 0.894 117 D CB -0.128 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 0.031 120.046 119.950 0.108 0.000 2.315 118 F HA 0.160 4.688 4.527 0.001 0.000 0.284 118 F C 1.611 177.573 175.800 0.269 0.000 1.049 118 F CA 0.426 58.518 58.000 0.153 0.000 1.323 118 F CB -0.718 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 0.863 121.902 121.223 -0.306 0.000 2.197 119 L HA -0.250 4.091 4.340 0.001 0.000 0.215 119 L C 2.415 179.441 176.870 0.260 0.000 1.095 119 L CA 1.333 56.062 54.840 -0.184 0.000 0.764 119 L CB -0.877 41.186 42.059 0.006 0.000 0.897 119 L HN 0.095 nan 8.230 nan 0.000 0.436 120 K N 0.164 120.663 120.400 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 0.879 57.138 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 -0.128 4.213 4.340 0.001 0.000 0.232 121 R C 0.994 176.977 176.300 -0.529 0.000 1.117 121 R CA 1.318 57.290 56.100 -0.213 0.000 0.981 121 R CB 0.075 30.348 30.300 -0.045 0.000 0.870 121 R HN 0.226 nan 8.270 nan 0.000 0.451 122 Y N -2.864 117.439 120.300 0.004 0.000 2.437 122 Y HA 0.191 4.742 4.550 0.001 0.000 0.266 122 Y C -0.056 175.505 175.900 -0.565 0.000 1.077 122 Y CA -0.367 57.564 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 1.461 121.477 119.950 0.111 0.000 2.597 123 F HA 0.420 4.948 4.527 0.001 0.000 0.336 123 F C -1.994 173.896 175.800 0.150 0.000 1.432 123 F CA -2.578 55.501 58.000 0.132 0.000 1.120 123 F CB 0.536 39.617 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 0.793 178.166 177.300 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 32.201 31.700 -0.029 0.000 0.835 125 E N -0.307 120.007 120.200 0.191 0.000 2.251 125 E HA 0.080 4.431 4.350 0.001 0.000 0.194 125 E C 0.550 177.300 176.600 0.249 0.000 0.964 125 E CA 0.370 56.880 56.400 0.184 0.000 0.868 125 E CB -0.257 29.529 29.700 0.144 0.000 0.828 125 E HN 0.150 nan 8.360 nan 0.000 0.481 126 S N 1.768 117.667 115.700 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 0.912 64.281 63.200 0.281 0.000 0.963 126 S HN 0.220 nan 8.310 nan 0.000 0.501 134 W N 0.145 121.444 121.300 -0.002 0.000 3.439 134 W HA 0.788 5.449 4.660 0.001 0.000 0.323 134 W C -0.912 175.737 176.519 0.216 0.000 1.174 134 W CA -0.614 56.807 57.345 0.127 0.000 1.224 134 W CB 2.031 31.608 29.460 0.195 0.000 1.348 134 W HN 0.546 nan 8.180 nan 0.000 0.498 135 V N 0.406 120.491 119.914 0.285 0.000 3.001 135 V HA 0.659 4.780 4.120 0.001 0.000 0.314 135 V C 0.314 176.017 176.094 -0.651 0.000 1.099 135 V CA -1.429 60.874 62.300 0.006 0.000 0.989 135 V CB 1.190 32.961 31.823 -0.086 0.000 1.040 135 V HN 0.524 nan 8.190 nan 0.000 0.434 136 S N 0.955 116.140 115.700 -0.858 0.000 2.564 136 S HA 0.053 4.523 4.470 0.001 0.000 0.263 136 S C -0.111 174.230 174.600 -0.432 0.000 1.378 136 S CA 0.156 57.797 58.200 -0.933 0.000 0.996 136 S CB 0.049 63.045 63.200 -0.340 0.000 0.881 136 S HN 0.940 nan 8.310 nan 0.000 0.555 137 D N 1.740 122.048 120.400 -0.153 0.000 2.434 137 D HA 0.435 5.075 4.640 0.001 0.000 0.275 137 D C -2.182 174.167 176.300 0.081 0.000 1.172 137 D CA -1.829 52.172 54.000 0.001 0.000 0.916 137 D CB 0.700 41.560 40.800 0.099 0.000 1.041 137 D HN 0.225 nan 8.370 nan 0.000 0.501 138 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 1.843 33.445 31.700 -0.164 0.000 1.541 139 T N -2.560 111.791 114.554 -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 0.390 nan 8.240 nan 0.000 0.488 140 W N 3.606 124.511 121.300 -0.659 0.000 2.705 140 W HA -0.097 4.563 4.660 0.001 0.000 0.313 140 W C 1.412 177.774 176.519 -0.262 0.000 0.884 140 W CA 0.886 57.931 57.345 -0.500 0.000 1.041 140 W CB 0.046 29.180 29.460 -0.543 0.000 1.066 140 W HN 0.922 nan 8.180 nan 0.000 0.529 141 E N 3.061 122.894 120.200 -0.613 0.000 1.998 141 E HA -0.399 3.951 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 2.414 58.467 56.400 -0.579 0.000 0.891 141 E CB -0.469 28.891 29.700 -0.566 0.000 0.807 141 E HN 0.699 nan 8.360 nan 0.000 0.523 142 N N -0.319 117.718 118.700 -1.105 0.000 2.187 142 N HA -0.261 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 53.286 53.050 -0.833 0.000 0.882 142 N CB -0.456 37.272 38.487 -1.265 0.000 1.003 142 N HN 0.316 nan 8.380 nan 0.000 0.443 143 H N 0.695 119.523 119.070 -0.404 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 2.021 58.044 56.048 -0.041 0.000 1.169 143 H CB -0.243 29.503 29.762 -0.027 0.000 1.349 143 H HN 0.014 nan 8.280 nan 0.000 0.501 144 V N 0.763 120.674 119.914 -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 1.956 64.242 62.300 -0.024 0.000 1.004 144 V CB -1.435 30.362 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 -0.411 3.909 4.320 0.001 0.000 0.259 145 A C 1.949 179.604 177.584 0.118 0.000 2.387 145 A CA 3.595 55.664 52.037 0.053 0.000 0.996 145 A CB -1.425 17.573 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 0.111 0.000 1.035 146 I CA 2.562 63.924 61.300 0.104 0.000 1.302 146 I CB -0.881 37.176 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 -0.150 4.378 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 1.618 59.699 58.000 0.136 0.000 1.188 147 F CB -1.138 37.865 39.000 0.005 0.000 0.974 147 F HN 0.022 nan 8.300 nan 0.000 0.473 148 A N -0.200 122.819 122.820 0.330 0.000 2.216 148 A HA 0.098 4.419 4.320 0.001 0.000 0.214 148 A C 2.183 179.837 177.584 0.118 0.000 1.160 148 A CA 1.219 53.380 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 -1.973 106.895 108.800 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 1.402 178.867 177.584 -0.198 0.000 1.298 150 A CA 0.982 52.969 52.037 -0.083 0.000 1.008 150 A CB 0.334 19.293 19.000 -0.068 0.000 1.217 150 A HN 1.446 nan 8.150 nan 0.000 0.553 151 G N -0.917 107.794 108.800 -0.148 0.000 2.181 151 G HA2 -0.091 3.870 3.960 0.001 0.000 0.152 151 G HA3 -0.091 3.870 3.960 0.001 0.000 0.152 151 G C -0.286 174.467 174.900 -0.245 0.000 1.026 151 G CA -0.167 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 1.179 63.379 62.300 -0.168 0.000 1.323 155 V CB 0.330 32.119 31.823 -0.056 0.000 0.842 155 V HN 0.213 nan 8.190 nan 0.000 0.494 156 S N 2.113 117.500 115.700 -0.522 0.000 2.810 156 S HA 0.797 5.268 4.470 0.001 0.000 0.315 156 S C -0.107 174.378 174.600 -0.192 0.000 1.138 156 S CA 0.019 57.878 58.200 -0.569 0.000 0.889 156 S CB 2.182 64.498 63.200 -1.474 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 -1.270 173.705 174.700 0.458 0.000 0.999 157 T CA -0.560 61.647 62.100 0.178 0.000 0.983 157 T CB 0.850 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 1.129 39.734 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 -0.029 177.486 177.300 0.358 0.000 1.328 159 P CA 0.366 63.630 63.100 0.273 0.000 0.990 159 P CB 0.263 32.072 31.700 0.182 0.000 1.168 160 W N 5.573 126.957 121.300 0.142 0.000 2.720 160 W HA 0.003 4.664 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 0.714 58.160 57.345 0.168 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 2.714 123.284 120.300 0.449 0.000 2.299 161 Y HA 0.252 4.803 4.550 0.001 0.000 0.335 161 Y C -0.599 175.365 175.900 0.106 0.000 1.287 161 Y CA -0.007 58.258 58.100 0.274 0.000 1.424 161 Y CB 0.427 39.050 38.460 0.273 0.000 1.326 161 Y HN -0.069 nan 8.280 nan 0.000 0.567 162 D N 2.245 122.409 120.400 -0.394 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 -0.411 0.000 0.925 162 D CB 1.074 41.739 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 1.629 57.779 56.400 -0.416 0.000 0.818 163 E CB -0.411 29.183 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 4.109 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 3.397 55.287 52.037 -0.245 0.000 0.624 164 A CB -1.542 17.365 19.000 -0.155 0.000 0.853 164 A HN 0.447 nan 8.150 nan 0.000 0.450 165 T N -2.019 112.359 114.554 -0.293 0.000 2.946 165 T HA -0.247 4.103 4.350 0.001 0.000 0.270 165 T C 0.946 175.409 174.700 -0.395 0.000 1.129 165 T CA 1.499 63.436 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 0.740 119.180 118.700 -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 0.230 0.000 1.150 166 N CA 0.583 53.535 53.050 -0.163 0.000 0.727 166 N CB -1.174 37.063 38.487 -0.416 0.000 1.091 166 N HN 0.788 nan 8.380 nan 0.000 0.556 167 G N -0.852 108.058 108.800 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 0.041 0.000 2.655 168 V HA 0.523 4.644 4.120 0.001 0.000 0.301 168 V C -0.159 175.852 176.094 -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 5.055 125.486 120.500 -0.114 0.000 5.010 169 R HA 0.018 4.358 4.340 0.001 0.000 0.175 169 R C 0.950 177.240 176.300 -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 29.679 30.300 -0.012 0.000 1.310 169 R HN 0.750 nan 8.270 nan 0.000 0.814 170 F N 1.494 121.328 119.950 -0.194 0.000 2.239 170 F HA -0.422 4.106 4.527 0.001 0.000 0.305 170 F C 1.511 177.221 175.800 -0.150 0.000 1.289 170 F CA 2.592 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 0.339 nan 8.300 nan 0.000 0.579 171 N N 0.610 119.394 118.700 0.139 0.000 2.027 171 N HA -0.251 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 1.865 54.895 53.050 -0.034 0.000 0.871 171 N CB -0.871 37.544 38.487 -0.120 0.000 1.063 171 N HN 0.355 nan 8.380 nan 0.000 0.438 172 D N -0.062 120.344 120.400 0.011 0.000 2.286 172 D HA -0.200 4.440 4.640 0.001 0.000 0.195 172 D C 1.834 178.150 176.300 0.027 0.000 1.012 172 D CA 1.126 55.133 54.000 0.013 0.000 0.901 172 D CB -0.189 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 -1.600 119.648 121.223 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 0.308 55.173 54.840 0.041 0.000 0.820 173 L CB -0.290 41.807 42.059 0.062 0.000 0.992 173 L HN -0.116 nan 8.230 nan 0.000 0.466 174 L N 0.847 122.090 121.223 0.034 0.000 2.151 174 L HA -0.277 4.064 4.340 0.001 0.000 0.215 174 L C 2.672 179.529 176.870 -0.022 0.000 1.084 174 L CA 1.597 56.450 54.840 0.022 0.000 0.764 174 L CB -0.657 41.428 42.059 0.043 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 4.255 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 1.237 53.251 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 0.376 nan 8.150 nan 0.000 0.457 176 T N 1.159 115.682 114.554 -0.051 0.000 2.708 176 T HA -0.151 4.199 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 1.741 63.790 62.100 -0.085 0.000 1.146 176 T CB -0.486 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 0.844 121.970 121.223 -0.162 0.000 2.042 177 L HA -0.053 4.288 4.340 0.001 0.000 0.210 177 L C 2.163 178.940 176.870 -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 0.134 nan 8.230 nan 0.000 0.432 178 K N -0.545 119.793 120.400 -0.103 0.000 2.664 178 K HA -0.027 4.294 4.320 0.001 0.000 0.193 178 K C 1.019 177.573 176.600 -0.077 0.000 1.028 178 K CA 0.815 57.058 56.287 -0.074 0.000 1.005 178 K CB -0.317 32.153 32.500 -0.050 0.000 0.815 178 K HN 0.374 nan 8.250 nan 0.000 0.496 179 T N -0.108 114.377 114.554 -0.117 0.000 2.964 179 T HA 0.166 4.517 4.350 0.001 0.000 0.250 179 T C 0.533 175.159 174.700 -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 69.076 68.868 -0.103 0.000 1.141 179 T HN 0.031 nan 8.240 nan 0.000 0.494 180 L N 3.468 124.562 121.223 -0.215 0.000 2.558 180 L HA 0.086 4.427 4.340 0.001 0.000 0.301 180 L C -1.448 175.385 176.870 -0.062 0.000 1.267 180 L CA -1.092 53.618 54.840 -0.218 0.000 0.854 180 L CB -0.434 41.440 42.059 -0.310 0.000 1.103 180 L HN 0.110 nan 8.230 nan 0.000 0.522 181 P HA 0.075 nan 4.420 nan 0.000 0.333 181 P C -0.770 176.565 177.300 0.058 0.000 1.343 181 P CA -0.412 62.725 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 -0.325 122.545 122.820 0.082 0.000 2.350 182 A HA 0.238 4.558 4.320 0.001 0.000 0.293 182 A C 0.240 177.889 177.584 0.108 0.000 1.231 182 A CA -0.266 51.821 52.037 0.084 0.000 0.883 182 A CB -1.009 18.044 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 -0.791 175.569 176.300 0.101 0.000 1.011 183 R CA 1.007 57.156 56.100 0.081 0.000 0.867 183 R CB -1.343 29.026 30.300 0.115 0.000 2.352 183 R HN 0.752 nan 8.270 nan 0.000 0.511 184 S N 3.786 119.541 115.700 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 1.281 64.637 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 0.128 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 0.182 61.531 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 4.786 124.793 119.914 0.156 0.000 2.789 186 V HA 0.321 4.442 4.120 0.001 0.000 0.300 186 V C -0.382 175.817 176.094 0.174 0.000 1.184 186 V CA -0.551 61.844 62.300 0.158 0.000 0.930 186 V CB 2.100 33.954 31.823 0.052 0.000 1.041 186 V HN 0.508 nan 8.190 nan 0.000 0.430 187 L N 5.502 126.836 121.223 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 1.452 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 2.796 124.165 121.223 0.243 0.000 2.409 188 L HA 0.474 4.815 4.340 0.001 0.000 0.262 188 L C -0.563 176.439 176.870 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 3.696 122.915 119.070 0.248 0.000 2.673 189 H HA 0.304 4.861 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 31.617 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 0.304 177.872 177.300 0.446 0.000 1.150 190 P CA 0.535 63.811 63.100 0.294 0.000 0.800 190 P CB 0.465 32.114 31.700 -0.084 0.000 0.787 191 C N -2.607 116.940 119.300 0.412 0.000 3.082 191 C HA 0.549 5.010 4.460 0.001 0.000 0.324 191 C C -0.118 175.107 174.990 0.391 0.000 1.210 191 C CA -1.089 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 0.364 nan 8.230 nan 0.000 0.485 192 C N 2.630 122.104 119.300 0.289 0.000 2.619 192 C HA -0.134 4.327 4.460 0.001 0.000 0.243 192 C C 0.739 175.778 174.990 0.081 0.000 1.189 192 C CA 1.101 60.246 59.018 0.211 0.000 2.652 192 C CB -3.415 24.485 27.740 0.266 0.000 1.614 192 C HN 1.199 nan 8.230 nan 0.000 0.386 193 H N 1.730 120.688 119.070 -0.187 0.000 2.830 193 H HA 0.186 4.743 4.556 0.001 0.000 0.382 193 H C 0.655 175.581 175.328 -0.670 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 0.775 nan 8.280 nan 0.000 0.617 194 N N 1.628 119.703 118.700 -1.042 0.000 2.503 194 N HA 0.095 4.836 4.740 0.001 0.000 0.287 194 N C -2.449 172.480 175.510 -0.968 0.000 1.096 194 N CA -1.562 51.007 53.050 -0.802 0.000 0.936 194 N CB 2.156 40.349 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 0.895 63.573 63.100 -0.704 0.000 0.830 195 P CB 0.226 31.686 31.700 -0.400 0.000 0.803 196 T N -0.071 113.782 114.554 -1.170 0.000 2.755 196 T HA -0.165 4.185 4.350 0.001 0.000 0.266 196 T C 1.475 175.941 174.700 -0.389 0.000 1.041 196 T CA 1.770 63.264 62.100 -1.011 0.000 1.147 196 T CB -1.701 66.605 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 -0.014 3.947 3.960 0.001 0.000 0.297 197 G HA3 -0.014 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 1.170 nan 8.290 nan 0.000 0.511 198 A N 0.698 123.642 122.820 0.206 0.000 3.410 198 A HA 0.544 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 52.380 52.037 0.241 0.000 0.934 198 A CB 0.516 19.634 19.000 0.196 0.000 1.191 198 A HN 0.448 nan 8.150 nan 0.000 0.511 199 D N 0.805 121.413 120.400 0.346 0.000 2.169 199 D HA 0.377 5.018 4.640 0.001 0.000 0.253 199 D C 0.694 176.991 176.300 -0.005 0.000 1.257 199 D CA 0.059 54.259 54.000 0.335 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 1.340 42.876 42.059 -0.872 0.000 1.497 200 L HN 0.167 nan 8.230 nan 0.000 0.442 201 T N -0.499 113.933 114.554 -0.203 0.000 2.934 201 T HA 0.267 4.618 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 3.018 121.671 118.700 -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 1.906 54.711 53.050 -0.408 0.000 0.862 202 N CB -0.710 37.086 38.487 -1.151 0.000 1.048 202 N HN 0.676 nan 8.380 nan 0.000 0.427 203 D N 0.750 121.130 120.400 -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 2.091 56.124 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 0.610 nan 8.370 nan 0.000 0.448 204 Q N -0.972 118.880 119.800 0.088 0.000 2.302 204 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 204 Q C 1.804 177.878 176.000 0.123 0.000 0.936 204 Q CA 0.342 56.237 55.803 0.153 0.000 0.886 204 Q CB -0.730 28.109 28.738 0.169 0.000 0.986 204 Q HN 0.521 nan 8.270 nan 0.000 0.487 205 W N 2.443 123.742 121.300 -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 58.377 57.345 0.032 0.000 1.211 205 W CB 0.181 29.678 29.460 0.063 0.000 1.131 205 W HN 0.277 nan 8.180 nan 0.000 0.552 206 D N -0.035 120.577 120.400 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 2.020 56.175 54.000 0.258 0.000 0.828 206 D CB -1.057 39.866 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 2.383 180.043 177.584 0.127 0.000 1.154 207 A CA 0.714 52.825 52.037 0.123 0.000 0.679 207 A CB -0.471 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 2.376 64.768 62.300 0.153 0.000 0.991 208 V CB -0.855 31.127 31.823 0.265 0.000 0.633 208 V HN 0.635 nan 8.190 nan 0.000 0.449 209 I N -0.001 120.681 120.570 0.187 0.000 2.208 209 I HA -0.274 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 1.952 63.330 61.300 0.129 0.000 1.363 209 I CB -0.717 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 1.700 121.953 120.200 0.088 0.000 2.149 210 E HA -0.280 4.071 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 2.694 59.130 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 -0.436 120.153 120.570 0.032 0.000 3.603 211 I HA 0.029 4.200 4.170 0.001 0.000 0.297 211 I C 2.098 178.216 176.117 0.001 0.000 1.269 211 I CA 0.294 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 0.109 nan 8.210 nan 0.000 0.448 212 L N 1.100 122.332 121.223 0.015 0.000 2.072 212 L HA -0.075 4.266 4.340 0.001 0.000 0.205 212 L C 2.626 179.502 176.870 0.011 0.000 1.079 212 L CA 1.470 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 1.918 178.526 176.600 0.014 0.000 1.048 213 K CA 1.197 57.495 56.287 0.018 0.000 0.954 213 K CB -0.045 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 2.487 125.315 122.820 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 1.424 53.467 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 -0.382 120.118 120.500 -0.001 0.000 2.316 215 R HA 0.030 4.371 4.340 0.001 0.000 0.202 215 R C -0.371 175.930 176.300 0.003 0.000 1.029 215 R CA 0.537 56.633 56.100 -0.006 0.000 1.018 215 R CB -0.653 29.632 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 -0.191 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 56.786 56.400 0.019 0.000 1.185 216 E CB -0.853 28.864 29.700 0.028 0.000 1.023 216 E HN 0.125 nan 8.360 nan 0.000 0.337 217 L N 2.761 123.992 121.223 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 1.452 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 3.629 124.191 120.570 -0.013 0.000 2.379 218 I HA 0.258 4.429 4.170 0.001 0.000 0.290 218 I C -2.161 173.959 176.117 0.004 0.000 1.063 218 I CA -1.249 60.023 61.300 -0.046 0.000 1.351 218 I CB 0.796 38.715 38.000 -0.136 0.000 1.410 218 I HN 0.245 nan 8.210 nan 0.000 0.505 219 P HA 0.214 nan 4.420 nan 0.000 0.300 219 P C -0.953 176.395 177.300 0.081 0.000 1.356 219 P CA -0.388 62.746 63.100 0.058 0.000 0.823 219 P CB 0.729 32.455 31.700 0.042 0.000 0.934 220 F N 5.476 125.438 119.950 0.019 0.000 2.347 220 F HA 0.403 4.931 4.527 0.001 0.000 0.366 220 F C -0.823 174.996 175.800 0.032 0.000 1.107 220 F CA -1.602 56.417 58.000 0.031 0.000 1.058 220 F CB 0.674 39.703 39.000 0.048 0.000 1.236 220 F HN 0.107 nan 8.300 nan 0.000 0.456 221 L N 5.278 126.720 121.223 0.366 0.000 2.379 221 L HA 0.519 4.860 4.340 0.001 0.000 0.269 221 L C -0.776 176.274 176.870 0.301 0.000 1.084 221 L CA 0.095 55.083 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 0.094 0.000 2.927 222 D HA 0.368 5.009 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 1.702 42.453 40.800 -0.081 0.000 1.677 222 D HN 0.556 nan 8.370 nan 0.000 0.511 223 I N 2.354 122.817 120.570 -0.178 0.000 2.586 223 I HA 0.586 4.757 4.170 0.001 0.000 0.288 223 I C -0.260 175.735 176.117 -0.203 0.000 1.147 223 I CA -0.446 60.767 61.300 -0.146 0.000 1.047 223 I CB 1.695 39.660 38.000 -0.058 0.000 1.244 223 I HN 0.474 nan 8.210 nan 0.000 0.429 224 A N 6.222 128.864 122.820 -0.296 0.000 1.997 224 A HA 0.246 4.567 4.320 0.001 0.000 0.212 224 A C -0.173 176.978 177.584 -0.722 0.000 1.178 224 A CA 0.838 52.459 52.037 -0.693 0.000 0.698 224 A CB 0.061 18.330 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 0.480 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 -0.858 57.407 58.100 0.276 0.000 1.304 225 Y CB 0.703 39.418 38.460 0.424 0.000 1.098 225 Y HN 0.132 nan 8.280 nan 0.000 0.498 226 Q N 1.902 121.779 119.800 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 0.488 56.307 55.803 0.026 0.000 0.939 226 Q CB 1.304 30.039 28.738 -0.005 0.000 1.201 226 Q HN 1.112 nan 8.270 nan 0.000 0.426 227 G N 3.477 112.237 108.800 -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 -0.116 174.675 174.900 -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 0.167 120.101 119.950 -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 -0.046 0.000 1.224 228 F CB 0.280 39.263 39.000 -0.029 0.000 1.060 228 F HN 0.204 nan 8.300 nan 0.000 0.584 229 G N -0.675 108.251 108.800 0.210 0.000 2.688 229 G HA2 0.269 4.230 3.960 0.001 0.000 0.214 229 G HA3 0.269 4.230 3.960 0.001 0.000 0.214 229 G C 1.475 176.437 174.900 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 -1.400 121.475 122.820 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 0.931 177.555 176.600 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 1.585 178.252 176.600 0.112 0.000 1.002 235 E CA 0.955 57.409 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 0.531 120.985 120.400 0.090 0.000 2.309 236 D HA -0.101 4.539 4.640 0.001 0.000 0.212 236 D C 1.476 177.817 176.300 0.070 0.000 0.968 236 D CA 1.007 55.072 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 0.166 123.008 122.820 0.037 0.000 2.123 237 A HA -0.107 4.213 4.320 0.001 0.000 0.214 237 A C 1.883 179.452 177.584 -0.026 0.000 1.152 237 A CA 0.137 52.155 52.037 -0.032 0.000 0.728 237 A CB -0.610 18.349 19.000 -0.068 0.000 0.814 237 A HN 0.205 nan 8.150 nan 0.000 0.464 238 Y N 1.350 121.594 120.300 -0.094 0.000 2.038 238 Y HA -0.403 4.148 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 1.963 60.006 58.100 -0.094 0.000 1.107 238 Y CB -1.000 37.431 38.460 -0.049 0.000 0.932 238 Y HN 0.389 nan 8.280 nan 0.000 0.500 239 A N 0.529 123.358 122.820 0.015 0.000 1.901 239 A HA -0.385 3.936 4.320 0.001 0.000 0.227 239 A C 2.244 179.680 177.584 -0.246 0.000 1.551 239 A CA 3.579 55.396 52.037 -0.368 0.000 0.769 239 A CB -1.742 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 -1.252 119.204 120.570 -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 63.519 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 1.602 122.059 120.500 -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 -1.576 28.598 30.300 -0.210 0.000 0.822 241 R HN 0.447 nan 8.270 nan 0.000 0.433 242 A N 0.465 123.163 122.820 -0.202 0.000 2.009 242 A HA -0.227 4.093 4.320 0.001 0.000 0.222 242 A C 2.298 179.876 177.584 -0.009 0.000 1.175 242 A CA 2.087 54.060 52.037 -0.107 0.000 0.651 242 A CB -0.916 18.032 19.000 -0.087 0.000 0.815 242 A HN 0.332 nan 8.150 nan 0.000 0.459 243 I N -0.838 119.727 120.570 -0.008 0.000 2.162 243 I HA -0.171 4.000 4.170 0.001 0.000 0.238 243 I C 2.927 179.070 176.117 0.042 0.000 1.076 243 I CA 0.981 62.295 61.300 0.023 0.000 1.353 243 I CB -0.588 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 1.080 123.954 122.820 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 0.488 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 1.972 60.123 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 1.532 nan 8.310 nan 0.000 0.398 246 A N 2.193 124.980 122.820 -0.056 0.000 2.082 246 A HA 0.003 4.324 4.320 0.001 0.000 0.224 246 A C 1.928 179.503 177.584 -0.016 0.000 1.179 246 A CA 2.241 54.255 52.037 -0.038 0.000 0.670 246 A CB -2.034 16.954 19.000 -0.021 0.000 0.817 246 A HN 0.918 nan 8.150 nan 0.000 0.475 247 G N -2.258 106.538 108.800 -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 0.929 46.031 45.100 0.003 0.000 1.004 247 G HN 1.048 nan 8.290 nan 0.000 0.480 248 L N -1.938 119.278 121.223 -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 0.013 42.068 42.059 -0.007 0.000 2.129 248 L HN 0.421 nan 8.230 nan 0.000 0.425 249 P HA 0.700 nan 4.420 nan 0.000 0.283 249 P C -1.429 175.867 177.300 -0.008 0.000 1.278 249 P CA 0.115 63.212 63.100 -0.006 0.000 0.834 249 P CB 2.240 33.939 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 -0.404 51.617 52.037 -0.027 0.000 0.603 250 A CB 0.355 19.366 19.000 0.018 0.000 1.385 250 A HN 0.565 nan 8.150 nan 0.000 0.470 251 L N 0.336 121.474 121.223 -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 54.368 54.840 -0.314 0.000 0.952 251 L CB 1.017 42.732 42.059 -0.573 0.000 1.337 251 L HN 1.141 nan 8.230 nan 0.000 0.430 252 V N 3.548 123.346 119.914 -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 62.500 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 2.941 118.670 115.700 0.047 0.000 2.423 253 S HA 0.333 4.804 4.470 0.001 0.000 0.213 253 S C -0.719 173.845 174.600 -0.059 0.000 1.131 253 S CA -0.702 57.536 58.200 0.062 0.000 1.155 253 S CB 0.092 63.463 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 5.149 4.740 0.001 0.000 0.250 254 N C -0.338 174.914 175.510 -0.431 0.000 1.272 254 N CA -0.060 52.844 53.050 -0.244 0.000 0.928 254 N CB 0.791 39.173 38.487 -0.175 0.000 1.158 254 N HN 0.697 nan 8.380 nan 0.000 0.463 255 S N 1.684 117.163 115.700 -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 0.469 63.497 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 2.748 178.627 175.800 0.130 0.000 1.057 256 F CA 0.245 58.377 58.000 0.219 0.000 1.365 256 F CB -1.453 37.698 39.000 0.251 0.000 1.114 256 F HN 0.584 nan 8.300 nan 0.000 0.545 257 S N 0.960 116.767 115.700 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 2.284 60.447 58.200 -0.061 0.000 1.209 257 S CB -0.461 62.762 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 -0.156 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 0.910 57.182 56.287 -0.026 0.000 0.943 258 K CB -0.519 32.184 32.500 0.339 0.000 0.725 258 K HN 0.398 nan 8.250 nan 0.000 0.439 259 I N 0.403 121.082 120.570 0.182 0.000 3.010 259 I HA -0.196 3.975 4.170 0.001 0.000 0.271 259 I C 0.689 176.725 176.117 -0.136 0.000 1.293 259 I CA 1.093 62.441 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 0.020 nan 8.210 nan 0.000 0.484 260 F N -0.549 119.432 119.950 0.052 0.000 2.834 260 F HA 0.263 4.791 4.527 0.001 0.000 0.332 260 F C 1.198 176.983 175.800 -0.024 0.000 1.056 260 F CA -0.013 58.037 58.000 0.083 0.000 1.178 260 F CB 0.394 39.441 39.000 0.079 0.000 1.037 260 F HN -0.184 nan 8.300 nan 0.000 0.580 261 S N 1.022 116.719 115.700 -0.006 0.000 3.926 261 S HA -0.113 4.357 4.470 0.001 0.000 0.478 261 S C -0.627 173.900 174.600 -0.121 0.000 0.830 261 S CA 0.607 58.712 58.200 -0.160 0.000 1.318 261 S CB -1.569 61.676 63.200 0.075 0.000 0.848 261 S HN 0.434 nan 8.310 nan 0.000 0.628 262 L N -0.566 120.456 121.223 -0.335 0.000 2.512 262 L HA 0.357 4.697 4.340 0.001 0.000 0.291 262 L C 0.553 177.407 176.870 -0.027 0.000 1.360 262 L CA -0.917 53.887 54.840 -0.060 0.000 0.655 262 L CB -0.731 41.320 42.059 -0.014 0.000 0.968 262 L HN 0.228 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 0.989 59.150 58.100 0.102 0.000 1.227 263 Y CB -1.047 37.471 38.460 0.096 0.000 0.991 263 Y HN 0.367 nan 8.280 nan 0.000 0.545 264 G N 0.239 109.233 108.800 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 1.581 176.563 174.900 0.136 0.000 1.168 264 G CA 1.128 46.346 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 0.126 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 0.167 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 0.306 nan 8.360 nan 0.000 0.452 266 R N -1.169 119.370 120.500 0.065 0.000 1.761 266 R HA -0.092 4.249 4.340 0.001 0.000 0.392 266 R C -0.836 175.477 176.300 0.023 0.000 1.218 266 R CA 0.702 56.830 56.100 0.045 0.000 0.940 266 R CB -2.780 27.529 30.300 0.015 0.000 2.917 266 R HN 0.077 nan 8.270 nan 0.000 0.491 267 V N -1.274 118.684 119.914 0.074 0.000 2.789 267 V HA 0.951 5.071 4.120 0.001 0.000 0.300 267 V C 0.161 176.351 176.094 0.160 0.000 1.184 267 V CA -0.199 62.184 62.300 0.139 0.000 0.930 267 V CB 2.581 34.524 31.823 0.201 0.000 1.041 267 V HN 1.124 nan 8.190 nan 0.000 0.430 268 G N 1.554 110.309 108.800 -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 -0.188 174.442 174.900 -0.450 0.000 1.426 268 G CA -0.078 44.617 45.100 -0.674 0.000 0.989 268 G HN 1.352 nan 8.290 nan 0.000 0.520 269 G N -0.867 107.478 108.800 -0.758 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 -0.685 174.165 174.900 -0.083 0.000 1.216 269 G CA -0.106 44.924 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 0.614 4.955 4.340 0.001 0.000 0.260 270 L C -0.852 176.039 176.870 0.034 0.000 0.921 270 L CA -0.305 54.548 54.840 0.022 0.000 0.948 270 L CB 1.864 43.956 42.059 0.055 0.000 1.427 270 L HN 0.659 nan 8.230 nan 0.000 0.432 271 S N 3.377 119.086 115.700 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 2.698 122.625 119.914 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 61.518 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 -1.029 175.267 176.300 -0.008 0.000 0.973 273 M CA -0.055 55.242 55.300 -0.007 0.000 0.924 273 M CB 0.811 33.389 32.600 -0.037 0.000 2.471 273 M HN 0.533 nan 8.290 nan 0.000 0.445 274 C N 1.273 120.572 119.300 -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 58.890 59.018 0.003 0.000 1.861 274 C CB 1.537 29.288 27.740 0.018 0.000 1.983 274 C HN 1.024 nan 8.230 nan 0.000 0.497 275 E N 0.780 120.973 120.200 -0.013 0.000 2.011 275 E HA -0.030 4.321 4.350 0.001 0.000 0.191 275 E C 0.046 176.632 176.600 -0.023 0.000 0.980 275 E CA 0.841 57.227 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 1.874 122.265 120.400 -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 54.310 54.000 -0.016 0.000 0.900 276 D CB 0.866 41.658 40.800 -0.012 0.000 1.135 276 D HN 0.105 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 1.273 53.299 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 0.355 120.547 120.200 -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 29.351 29.700 -0.012 0.000 0.783 278 E HN 0.465 nan 8.360 nan 0.000 0.481 279 A N 1.914 124.726 122.820 -0.013 0.000 1.858 279 A HA 0.002 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 1.864 53.894 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 -0.680 122.134 122.820 -0.009 0.000 2.253 280 A HA 0.316 4.637 4.320 0.001 0.000 0.203 280 A C 1.721 179.296 177.584 -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 17.959 19.000 -0.007 0.000 0.772 280 A HN 0.684 nan 8.150 nan 0.000 0.494 281 G N 0.334 109.122 108.800 -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 0.122 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 0.751 56.822 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 0.203 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 -0.107 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 2.569 179.380 176.870 -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 -1.378 107.374 108.800 -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 0.440 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 -0.061 119.657 119.800 -0.137 0.000 2.046 286 Q HA 0.047 4.388 4.340 0.001 0.000 0.200 286 Q C 2.873 178.733 176.000 -0.233 0.000 0.975 286 Q CA 0.845 56.544 55.803 -0.173 0.000 0.836 286 Q CB -0.380 28.188 28.738 -0.283 0.000 0.896 286 Q HN 0.551 nan 8.270 nan 0.000 0.428 287 L N 0.270 121.320 121.223 -0.289 0.000 2.005 287 L HA -0.137 4.204 4.340 0.001 0.000 0.207 287 L C 2.385 179.179 176.870 -0.127 0.000 1.072 287 L CA 1.049 55.761 54.840 -0.213 0.000 0.744 287 L CB -0.575 41.380 42.059 -0.172 0.000 0.895 287 L HN 0.113 nan 8.230 nan 0.000 0.433 288 K N 0.166 120.502 120.400 -0.108 0.000 2.362 288 K HA -0.179 4.142 4.320 0.001 0.000 0.202 288 K C 1.888 178.434 176.600 -0.090 0.000 1.045 288 K CA 1.222 57.456 56.287 -0.087 0.000 0.936 288 K CB -0.011 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 -0.148 122.619 122.820 -0.088 0.000 1.942 289 A HA -0.008 4.313 4.320 0.001 0.000 0.209 289 A C 1.992 179.533 177.584 -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 -0.176 114.334 114.554 -0.073 0.000 3.007 290 T HA -0.033 4.318 4.350 0.001 0.000 0.270 290 T C 1.575 176.223 174.700 -0.086 0.000 1.107 290 T CA 1.390 63.463 62.100 -0.046 0.000 1.118 290 T CB -0.049 68.820 68.868 0.001 0.000 0.889 290 T HN 0.110 nan 8.240 nan 0.000 0.506 291 V N 0.722 120.550 119.914 -0.144 0.000 3.052 291 V HA 0.078 4.199 4.120 0.001 0.000 0.254 291 V C 2.511 178.412 176.094 -0.322 0.000 1.100 291 V CA 0.870 62.995 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 1.059 121.450 120.500 -0.180 0.000 2.092 292 R HA -0.060 4.281 4.340 0.001 0.000 0.231 292 R C 1.438 177.671 176.300 -0.111 0.000 1.119 292 R CA 0.955 56.977 56.100 -0.130 0.000 0.970 292 R CB -0.007 30.247 30.300 -0.078 0.000 0.864 292 R HN 0.555 nan 8.270 nan 0.000 0.440 293 R N 0.183 120.626 120.500 -0.094 0.000 4.496 293 R HA 0.204 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 -0.049 56.015 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 0.304 118.957 118.700 -0.079 0.000 2.670 294 N HA -0.064 4.677 4.740 0.001 0.000 0.375 294 N C -0.210 175.347 175.510 0.078 0.000 0.688 294 N CA 0.289 53.334 53.050 -0.008 0.000 1.787 294 N CB 0.193 38.639 38.487 -0.068 0.000 0.939 294 N HN 0.369 nan 8.380 nan 0.000 1.817 295 Y N -0.766 119.537 120.300 0.004 0.000 2.666 295 Y HA 0.621 5.172 4.550 0.001 0.000 0.260 295 Y C 1.076 176.981 175.900 0.008 0.000 1.089 295 Y CA 0.677 58.777 58.100 -0.001 0.000 1.246 295 Y CB 0.269 38.722 38.460 -0.011 0.000 1.353 295 Y HN 0.186 nan 8.280 nan 0.000 0.558 296 S N 0.650 116.194 115.700 -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 1.588 59.725 58.200 -0.105 0.000 3.213 296 S CB -1.818 61.435 63.200 0.089 0.000 0.764 296 S HN 1.103 nan 8.310 nan 0.000 0.474 297 S N 2.701 118.474 115.700 0.122 0.000 2.557 297 S HA 0.775 5.246 4.470 0.001 0.000 0.291 297 S C -2.902 171.891 174.600 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 -2.465 174.828 177.300 -0.011 0.000 1.252 298 P CA -0.804 62.378 63.100 0.136 0.000 0.809 298 P CB -0.598 31.152 31.700 0.084 0.000 1.017 299 P HA -0.012 nan 4.420 nan 0.000 0.271 299 P C 0.165 177.438 177.300 -0.046 0.000 1.218 299 P CA 0.024 63.089 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 1.729 120.433 118.700 0.007 0.000 2.174 300 N HA -0.124 4.617 4.740 0.001 0.000 0.191 300 N C 1.510 177.057 175.510 0.061 0.000 1.059 300 N CA 0.513 53.587 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 0.182 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 -0.204 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 2.373 60.337 58.000 -0.059 0.000 1.211 301 F CB -1.193 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 -1.035 107.737 108.800 -0.047 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 1.646 176.398 174.900 -0.247 0.000 1.100 302 G CA 1.547 46.547 45.100 -0.168 0.000 0.743 302 G HN 0.770 nan 8.290 nan 0.000 0.612 303 A N -0.439 122.227 122.820 -0.256 0.000 1.859 303 A HA 0.182 4.503 4.320 0.001 0.000 0.212 303 A C 2.196 179.699 177.584 -0.135 0.000 1.238 303 A CA 1.615 53.466 52.037 -0.310 0.000 0.613 303 A CB -0.520 18.169 19.000 -0.518 0.000 0.904 303 A HN 0.309 nan 8.150 nan 0.000 0.457 304 Q N 0.022 119.729 119.800 -0.156 0.000 2.124 304 Q HA -0.288 4.053 4.340 0.001 0.000 0.215 304 Q C 2.097 177.971 176.000 -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 -2.201 117.488 119.914 -0.375 0.000 2.219 305 V HA -0.279 3.842 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 2.135 64.190 62.300 -0.408 0.000 1.009 305 V CB -1.512 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 -0.408 0.000 2.439 306 V HA -0.214 3.906 4.120 0.001 0.000 0.253 306 V C 2.653 178.465 176.094 -0.470 0.000 1.074 306 V CA 1.823 63.766 62.300 -0.596 0.000 1.076 306 V CB -1.958 29.542 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 3.185 307 A HA 0.060 4.381 4.320 0.001 0.000 0.161 307 A C 2.274 179.719 177.584 -0.232 0.000 0.867 307 A CA 1.410 53.331 52.037 -0.193 0.000 1.131 307 A CB -1.393 17.570 19.000 -0.061 0.000 0.830 307 A HN 0.896 nan 8.150 nan 0.000 0.548 308 A N -1.582 121.142 122.820 -0.159 0.000 2.354 308 A HA 0.034 4.354 4.320 0.001 0.000 0.214 308 A C 1.676 179.163 177.584 -0.163 0.000 1.232 308 A CA 1.779 53.732 52.037 -0.140 0.000 0.699 308 A CB -1.028 17.913 19.000 -0.098 0.000 0.774 308 A HN 0.647 nan 8.150 nan 0.000 0.512 309 V N -1.015 118.761 119.914 -0.230 0.000 2.599 309 V HA -0.131 3.990 4.120 0.001 0.000 0.245 309 V C 2.098 178.025 176.094 -0.279 0.000 1.046 309 V CA 1.834 63.988 62.300 -0.243 0.000 1.065 309 V CB -0.361 31.272 31.823 -0.317 0.000 0.703 309 V HN 0.707 nan 8.190 nan 0.000 0.464 310 L N -1.564 119.457 121.223 -0.337 0.000 2.554 310 L HA 0.283 4.624 4.340 0.001 0.000 0.225 310 L C 1.665 178.406 176.870 -0.216 0.000 1.104 310 L CA 0.797 55.439 54.840 -0.329 0.000 0.866 310 L CB -0.754 41.055 42.059 -0.416 0.000 1.047 310 L HN 0.189 nan 8.230 nan 0.000 0.468 311 N N -0.200 118.389 118.700 -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 0.246 53.219 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 1.165 121.505 120.400 -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 -0.048 53.910 54.000 -0.070 0.000 0.874 312 D CB 0.639 41.401 40.800 -0.064 0.000 1.034 312 D HN -0.024 nan 8.370 nan 0.000 0.502 313 E N 2.782 122.953 120.200 -0.048 0.000 2.147 313 E HA -0.234 4.117 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 -0.201 29.484 29.700 -0.025 0.000 0.736 313 E HN 0.646 nan 8.360 nan 0.000 0.460 314 A N 0.941 123.754 122.820 -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 1.314 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 0.005 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 1.346 56.197 54.840 0.018 0.000 0.809 315 L CB -0.410 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 0.965 121.369 120.400 0.006 0.000 2.148 316 K HA -0.079 4.242 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 1.028 57.330 56.287 0.024 0.000 0.942 316 K CB 0.046 32.521 32.500 -0.042 0.000 0.724 316 K HN 0.282 nan 8.250 nan 0.000 0.446 317 A N 0.479 123.361 122.820 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 1.819 53.911 52.037 0.090 0.000 0.605 317 A CB -1.310 17.719 19.000 0.047 0.000 0.861 317 A HN 0.425 nan 8.150 nan 0.000 0.447 318 S N -1.697 114.058 115.700 0.091 0.000 2.423 318 S HA -0.264 4.206 4.470 0.001 0.000 0.238 318 S C 1.691 176.349 174.600 0.097 0.000 1.028 318 S CA 2.000 60.245 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 1.116 122.390 121.300 -0.043 0.000 2.444 319 W HA 0.127 4.787 4.660 0.001 0.000 0.308 319 W C 1.945 178.399 176.519 -0.109 0.000 1.183 319 W CA 0.802 58.110 57.345 -0.061 0.000 1.340 319 W CB -0.728 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 1.988 123.317 121.223 0.177 0.000 2.081 320 L HA -0.095 4.246 4.340 0.001 0.000 0.212 320 L C 2.196 178.898 176.870 -0.280 0.000 1.080 320 L CA 2.771 57.533 54.840 -0.130 0.000 0.754 320 L CB -1.459 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 1.438 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 2.310 178.016 176.094 -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 0.582 120.499 120.200 -0.473 0.000 2.047 324 E HA -0.243 4.108 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 2.007 58.233 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 -0.075 120.038 120.200 -0.146 0.000 2.153 325 E HA -0.197 4.154 4.350 0.001 0.000 0.194 325 E C 1.891 178.482 176.600 -0.015 0.000 0.988 325 E CA 1.349 57.710 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 0.649 120.221 119.600 -0.046 0.000 2.108 326 M HA -0.186 4.295 4.480 0.001 0.000 0.261 326 M C 2.601 179.026 176.300 0.208 0.000 1.066 326 M CA 1.670 57.012 55.300 0.069 0.000 1.107 326 M CB -0.837 31.738 32.600 -0.040 0.000 1.356 326 M HN 0.168 nan 8.290 nan 0.000 0.406 327 R N -0.228 120.399 120.500 0.212 0.000 2.240 327 R HA -0.021 4.320 4.340 0.001 0.000 0.203 327 R C 1.686 178.041 176.300 0.091 0.000 1.011 327 R CA 1.121 57.360 56.100 0.231 0.000 1.007 327 R CB -0.183 30.288 30.300 0.286 0.000 0.911 327 R HN 0.165 nan 8.270 nan 0.000 0.468 328 T N 1.766 116.351 114.554 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 1.941 64.058 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 0.938 121.468 120.500 0.049 0.000 2.075 329 R HA 0.082 4.423 4.340 0.001 0.000 0.232 329 R C 2.366 178.685 176.300 0.033 0.000 1.126 329 R CA 1.269 57.396 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 1.427 122.024 120.570 0.044 0.000 2.145 330 I HA -0.290 3.881 4.170 0.001 0.000 0.244 330 I C 1.903 178.011 176.117 -0.014 0.000 1.075 330 I CA 1.601 62.899 61.300 -0.002 0.000 1.332 330 I CB -0.266 37.712 38.000 -0.037 0.000 1.033 330 I HN 0.187 nan 8.210 nan 0.000 0.410 331 L N 0.203 121.428 121.223 0.004 0.000 2.627 331 L HA 0.058 4.399 4.340 0.001 0.000 0.233 331 L C 2.012 178.885 176.870 0.005 0.000 1.144 331 L CA 0.231 55.073 54.840 0.004 0.000 0.892 331 L CB -0.185 41.883 42.059 0.016 0.000 1.039 331 L HN 0.150 nan 8.230 nan 0.000 0.442 332 A N -1.269 121.553 122.820 0.005 0.000 2.140 332 A HA 0.134 4.455 4.320 0.001 0.000 0.209 332 A C 2.147 179.729 177.584 -0.003 0.000 1.181 332 A CA 0.201 52.241 52.037 0.004 0.000 0.824 332 A CB 0.067 19.073 19.000 0.009 0.000 0.879 332 A HN 0.233 nan 8.150 nan 0.000 0.480 333 M N -1.250 118.344 119.600 -0.009 0.000 2.357 333 M HA 0.083 4.564 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 0.631 121.117 120.500 -0.025 0.000 2.249 334 R HA -0.128 4.213 4.340 0.001 0.000 0.230 334 R C 2.084 178.375 176.300 -0.015 0.000 1.121 334 R CA 1.249 57.335 56.100 -0.024 0.000 0.997 334 R CB 0.054 30.345 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 1.472 177.462 176.000 -0.017 0.000 0.938 335 Q CA 0.690 56.489 55.803 -0.007 0.000 0.872 335 Q CB 0.366 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 0.870 121.059 120.200 -0.018 0.000 2.204 336 E HA -0.069 4.282 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 0.589 56.976 56.400 -0.020 0.000 0.821 336 E CB -0.024 29.668 29.700 -0.012 0.000 0.750 336 E HN 0.199 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 1.869 178.650 176.870 -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 -0.898 118.949 119.914 -0.112 0.000 3.235 338 V HA -0.074 4.046 4.120 0.001 0.000 0.259 338 V C 2.351 178.378 176.094 -0.112 0.000 1.133 338 V CA 0.758 62.980 62.300 -0.130 0.000 1.128 338 V CB -0.225 31.597 31.823 -0.001 0.000 0.757 338 V HN 0.347 nan 8.190 nan 0.000 0.469 339 K N 0.918 121.272 120.400 -0.077 0.000 2.005 339 K HA -0.005 4.316 4.320 0.001 0.000 0.206 339 K C 1.843 178.402 176.600 -0.068 0.000 1.044 339 K CA 1.541 57.798 56.287 -0.049 0.000 0.942 339 K CB -0.295 32.188 32.500 -0.028 0.000 0.727 339 K HN 0.511 nan 8.250 nan 0.000 0.439 340 V N 0.165 120.032 119.914 -0.078 0.000 3.630 340 V HA 0.033 4.153 4.120 0.001 0.000 0.273 340 V C 1.701 177.718 176.094 -0.128 0.000 1.248 340 V CA 0.761 63.017 62.300 -0.074 0.000 1.170 340 V CB -0.611 31.184 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 2.300 178.884 176.870 -0.477 0.000 1.048 341 L CA 0.605 55.137 54.840 -0.514 0.000 0.859 341 L CB 0.162 41.628 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 4.405 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 0.918 59.219 58.200 0.169 0.000 0.935 342 S CB -0.113 63.193 63.200 0.177 0.000 0.769 342 S HN 0.337 nan 8.310 nan 0.000 0.536 343 T N 0.859 115.426 114.554 0.023 0.000 3.046 343 T HA 0.104 4.455 4.350 0.001 0.000 0.242 343 T C 1.475 176.196 174.700 0.035 0.000 1.018 343 T CA 0.241 62.356 62.100 0.024 0.000 1.131 343 T CB 0.098 68.963 68.868 -0.006 0.000 0.904 343 T HN 0.330 nan 8.240 nan 0.000 0.459 344 E N 0.830 121.042 120.200 0.019 0.000 2.442 344 E HA 0.185 4.536 4.350 0.001 0.000 0.195 344 E C 0.387 177.045 176.600 0.097 0.000 1.030 344 E CA 0.511 56.931 56.400 0.034 0.000 0.869 344 E CB 0.359 30.057 29.700 -0.003 0.000 0.857 344 E HN 0.411 nan 8.360 nan 0.000 0.505 345 M N 1.111 120.823 119.600 0.186 0.000 3.432 345 M HA 0.133 4.614 4.480 0.001 0.000 0.390 345 M C -2.232 174.265 176.300 0.327 0.000 1.811 345 M CA -0.962 54.508 55.300 0.283 0.000 0.536 345 M CB 1.962 34.840 32.600 0.463 0.000 1.681 345 M HN -0.217 nan 8.290 nan 0.000 0.462 346 P HA -0.140 nan 4.420 nan 0.000 0.222 346 P C 0.146 177.467 177.300 0.035 0.000 1.147 346 P CA 1.474 64.654 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 -0.358 119.848 120.200 0.010 0.000 2.304 347 E HA 0.283 4.634 4.350 0.001 0.000 0.212 347 E C 0.465 176.994 176.600 -0.118 0.000 1.185 347 E CA -0.262 56.113 56.400 -0.042 0.000 1.326 347 E CB -0.230 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 -0.139 120.203 120.500 -0.264 0.000 2.799 348 R HA 0.466 4.807 4.340 0.001 0.000 0.270 348 R C -1.466 174.384 176.300 -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 1.325 119.609 118.700 -0.693 0.000 2.609 349 N HA 0.238 4.979 4.740 0.001 0.000 0.234 349 N C -0.908 174.151 175.510 -0.752 0.000 1.001 349 N CA -0.135 52.502 53.050 -0.689 0.000 0.926 349 N CB 0.494 38.591 38.487 -0.650 0.000 1.130 349 N HN 0.390 nan 8.380 nan 0.000 0.510 350 F N -0.110 119.728 119.950 -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 0.112 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 -0.507 119.780 120.400 -0.188 0.000 2.178 351 D HA -0.192 4.448 4.640 0.001 0.000 0.201 351 D C 1.915 178.197 176.300 -0.031 0.000 0.980 351 D CA 1.417 55.335 54.000 -0.136 0.000 0.842 351 D CB -0.397 40.266 40.800 -0.229 0.000 0.948 351 D HN 0.227 nan 8.370 nan 0.000 0.472 352 Y N 0.632 120.976 120.300 0.073 0.000 2.097 352 Y HA -0.093 4.458 4.550 0.001 0.000 0.282 352 Y C 2.164 178.125 175.900 0.103 0.000 1.152 352 Y CA 0.629 58.782 58.100 0.088 0.000 1.136 352 Y CB -1.092 37.425 38.460 0.096 0.000 0.975 352 Y HN -0.031 nan 8.280 nan 0.000 0.498 353 L N -0.964 120.425 121.223 0.276 0.000 2.599 353 L HA 0.022 4.363 4.340 0.001 0.000 0.230 353 L C 1.890 178.825 176.870 0.110 0.000 1.141 353 L CA 0.384 55.329 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 2.101 179.009 176.870 0.064 0.000 1.076 354 L CA 1.457 56.339 54.840 0.070 0.000 0.755 354 L CB -0.154 41.940 42.059 0.059 0.000 0.915 354 L HN 0.430 nan 8.230 nan 0.000 0.445 355 N N -0.843 117.904 118.700 0.078 0.000 2.106 355 N HA -0.169 4.571 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 0.222 53.316 53.050 0.073 0.000 0.848 355 N CB -0.329 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 1.808 121.668 119.800 0.100 0.000 2.851 356 Q HA -0.103 4.238 4.340 0.001 0.000 0.319 356 Q C -0.398 175.640 176.000 0.063 0.000 1.225 356 Q CA 0.603 56.464 55.803 0.096 0.000 1.110 356 Q CB -0.053 28.750 28.738 0.109 0.000 1.128 356 Q HN 0.416 nan 8.270 nan 0.000 0.440 357 R N 0.888 121.428 120.500 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 55.935 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 -0.120 108.664 108.800 -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 -0.089 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 -0.697 118.545 119.600 -0.596 0.000 2.495 359 M HA 0.544 5.024 4.480 0.001 0.000 0.237 359 M C -0.584 175.155 176.300 -0.936 0.000 1.131 359 M CA 0.496 55.280 55.300 -0.860 0.000 1.032 359 M CB 0.030 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 0.002 0.000 0.318 360 F C -0.500 175.221 175.800 -0.131 0.000 1.135 360 F CA -0.806 57.084 58.000 -0.183 0.000 0.915 360 F CB 2.021 40.900 39.000 -0.202 0.000 1.176 360 F HN -0.245 nan 8.300 nan 0.000 0.440 361 S N 2.016 117.784 115.700 0.113 0.000 2.538 361 S HA 0.494 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 -0.630 57.620 58.200 0.082 0.000 0.971 361 S CB 1.371 64.590 63.200 0.032 0.000 1.041 361 S HN 0.362 nan 8.310 nan 0.000 0.483 362 Y N 2.432 122.683 120.300 -0.082 0.000 2.308 362 Y HA 0.272 4.822 4.550 0.001 0.000 0.329 362 Y C 1.957 177.860 175.900 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 -0.211 0.000 1.201 362 Y HN 0.843 nan 8.280 nan 0.000 0.483 363 T N -1.067 113.468 114.554 -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 1.728 110.502 108.800 -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 0.149 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 0.158 121.342 121.223 -0.064 0.000 2.354 365 L HA 0.734 5.075 4.340 0.001 0.000 0.269 365 L C 0.991 177.833 176.870 -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 44.061 42.059 -0.027 0.000 1.311 365 L HN 0.347 nan 8.230 nan 0.000 0.423 366 S N 0.562 116.249 115.700 -0.021 0.000 2.579 366 S HA 0.275 4.746 4.470 0.001 0.000 0.275 366 S C 1.243 175.833 174.600 -0.017 0.000 1.345 366 S CA -0.115 58.075 58.200 -0.018 0.000 1.031 366 S CB 1.537 64.735 63.200 -0.004 0.000 0.892 366 S HN 0.776 nan 8.310 nan 0.000 0.529 367 A N 2.438 125.248 122.820 -0.016 0.000 2.042 367 A HA -0.024 4.297 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 2.011 54.042 52.037 -0.009 0.000 0.649 367 A CB -1.575 17.423 19.000 -0.003 0.000 0.809 367 A HN 1.316 nan 8.150 nan 0.000 0.457 368 A N -0.485 122.339 122.820 0.007 0.000 1.841 368 A HA -0.206 4.114 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 53.566 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 -0.203 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 -0.813 27.937 28.738 0.020 0.000 0.915 369 Q HN 0.501 nan 8.270 nan 0.000 0.416 370 V N 2.111 122.035 119.914 0.016 0.000 2.233 370 V HA -0.271 3.850 4.120 0.001 0.000 0.247 370 V C 1.963 178.069 176.094 0.019 0.000 1.050 370 V CA 2.165 64.473 62.300 0.015 0.000 1.010 370 V CB -0.719 31.109 31.823 0.007 0.000 0.637 370 V HN 0.336 nan 8.190 nan 0.000 0.444 371 D N -0.317 120.097 120.400 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 1.853 55.868 54.000 0.025 0.000 0.856 371 D CB -0.203 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 1.109 57.267 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 0.819 122.146 121.223 0.172 0.000 2.109 373 L HA -0.042 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 1.475 56.453 54.840 0.229 0.000 0.760 373 L CB -0.419 41.661 42.059 0.035 0.000 0.910 373 L HN 0.210 nan 8.230 nan 0.000 0.437 374 R N -0.151 120.272 120.500 -0.129 0.000 2.357 374 R HA -0.070 4.271 4.340 0.001 0.000 0.202 374 R C 1.363 177.514 176.300 -0.247 0.000 1.047 374 R CA 1.320 57.190 56.100 -0.385 0.000 1.034 374 R CB -0.265 29.929 30.300 -0.176 0.000 0.875 374 R HN 0.432 nan 8.270 nan 0.000 0.473 375 E N -0.737 119.400 120.200 -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 29.951 29.700 -0.023 0.000 1.315 375 E HN 0.305 nan 8.360 nan 0.000 0.643 376 E N 0.464 120.610 120.200 -0.090 0.000 2.004 376 E HA -0.102 4.248 4.350 0.001 0.000 0.192 376 E C 1.745 178.147 176.600 -0.329 0.000 0.987 376 E CA 1.221 57.455 56.400 -0.277 0.000 0.822 376 E CB -0.058 29.352 29.700 -0.483 0.000 0.779 376 E HN 0.131 nan 8.360 nan 0.000 0.458 377 F N -0.620 119.267 119.950 -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 0.038 38.962 39.000 -0.127 0.000 1.067 377 F HN 0.193 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 0.241 nan 8.290 nan 0.000 0.490 379 V N -0.104 119.657 119.914 -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 0.398 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 5.987 126.381 120.300 0.157 0.000 2.328 380 Y HA 0.845 5.396 4.550 0.001 0.000 0.337 380 Y C -0.096 175.856 175.900 0.087 0.000 1.008 380 Y CA -0.982 57.195 58.100 0.129 0.000 1.129 380 Y CB 1.323 39.883 38.460 0.166 0.000 1.185 380 Y HN 0.584 nan 8.280 nan 0.000 0.476 381 L N 2.145 123.474 121.223 0.177 0.000 2.600 381 L HA 0.543 4.884 4.340 0.001 0.000 0.257 381 L C -0.391 176.526 176.870 0.077 0.000 1.048 381 L CA -1.078 53.828 54.840 0.110 0.000 0.869 381 L CB 1.197 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 1.069 121.670 120.570 0.051 0.000 3.205 382 I HA -0.018 4.152 4.170 0.001 0.000 0.287 382 I C 1.184 177.296 176.117 -0.008 0.000 1.266 382 I CA 0.524 61.838 61.300 0.025 0.000 1.378 382 I CB 1.324 39.334 38.000 0.016 0.000 1.347 382 I HN 0.930 nan 8.210 nan 0.000 0.603 383 A N 4.290 127.105 122.820 -0.007 0.000 2.346 383 A HA 0.162 4.483 4.320 0.001 0.000 0.242 383 A C 1.194 178.746 177.584 -0.053 0.000 1.323 383 A CA 0.454 52.481 52.037 -0.017 0.000 0.940 383 A CB -0.302 18.699 19.000 0.002 0.000 0.943 383 A HN 0.740 nan 8.150 nan 0.000 0.501 384 S N -2.909 112.719 115.700 -0.120 0.000 2.648 384 S HA 0.426 4.897 4.470 0.001 0.000 0.270 384 S C 1.239 175.550 174.600 -0.481 0.000 1.082 384 S CA 0.624 58.692 58.200 -0.220 0.000 1.116 384 S CB 0.864 63.981 63.200 -0.138 0.000 1.040 384 S HN 1.239 nan 8.310 nan 0.000 0.572 385 G N 2.132 110.655 108.800 -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 -0.209 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 1.704 121.995 120.500 -0.348 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 1.361 57.552 56.100 0.152 0.000 1.114 386 R CB 0.013 30.509 30.300 0.327 0.000 0.976 386 R HN 0.990 nan 8.270 nan 0.000 0.437 387 M N 2.718 122.432 119.600 0.189 0.000 2.822 387 M HA 0.121 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 -0.805 54.585 55.300 0.151 0.000 0.814 387 M CB 0.862 33.488 32.600 0.042 0.000 1.693 387 M HN 0.691 nan 8.290 nan 0.000 0.531 388 C N 3.489 122.833 119.300 0.073 0.000 2.459 388 C HA 0.435 4.895 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 -0.128 58.809 59.018 -0.135 0.000 1.559 388 C CB -1.371 26.326 27.740 -0.072 0.000 2.132 388 C HN 0.557 nan 8.230 nan 0.000 0.536 389 V N 5.380 125.162 119.914 -0.219 0.000 2.688 389 V HA -0.185 3.936 4.120 0.001 0.000 0.256 389 V C 2.362 178.357 176.094 -0.166 0.000 1.084 389 V CA 2.288 64.486 62.300 -0.170 0.000 1.103 389 V CB -1.088 30.626 31.823 -0.182 0.000 0.688 389 V HN 0.990 nan 8.190 nan 0.000 0.480 390 A N 0.488 123.175 122.820 -0.221 0.000 2.095 390 A HA 0.279 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 52.725 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 4.197 3.960 0.001 0.000 0.205 391 G HA3 0.237 4.197 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 0.183 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 -1.203 119.989 121.223 -0.051 0.000 2.635 392 L HA 0.646 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 1.140 43.182 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 1.556 176.253 174.700 -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 2.526 125.341 122.820 -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 0.973 53.006 52.037 -0.007 0.000 0.622 395 A CB -0.281 18.712 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 0.015 4.756 4.740 0.001 0.000 0.199 396 N C 1.581 177.101 175.510 0.016 0.000 1.043 396 N CA 1.294 54.352 53.050 0.014 0.000 0.947 396 N CB -0.764 37.740 38.487 0.027 0.000 1.140 396 N HN 0.115 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 3.676 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 65.138 62.300 0.041 0.000 1.533 397 V CB -1.699 30.134 31.823 0.016 0.000 1.063 397 V HN 0.419 nan 8.190 nan 0.000 0.467 398 Q N -0.371 119.428 119.800 -0.002 0.000 2.030 398 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 398 Q C 2.393 178.356 176.000 -0.060 0.000 0.986 398 Q CA 2.162 57.949 55.803 -0.027 0.000 0.843 398 Q CB -0.410 28.315 28.738 -0.023 0.000 0.904 398 Q HN 0.758 nan 8.270 nan 0.000 0.420 399 R N 0.902 121.373 120.500 -0.048 0.000 2.159 399 R HA -0.154 4.186 4.340 0.001 0.000 0.237 399 R C 1.728 177.943 176.300 -0.142 0.000 1.131 399 R CA 1.624 57.686 56.100 -0.063 0.000 0.982 399 R CB -0.107 30.177 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 0.027 4.148 4.120 0.001 0.000 0.243 400 V C 2.661 178.227 176.094 -0.881 0.000 1.035 400 V CA 1.185 63.278 62.300 -0.345 0.000 1.035 400 V CB -1.285 30.608 31.823 0.117 0.000 0.673 400 V HN 0.394 nan 8.190 nan 0.000 0.457 401 A N 1.269 123.914 122.820 -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 -0.429 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 -0.490 119.679 120.400 -0.384 0.000 2.365 402 K HA 0.208 4.529 4.320 0.001 0.000 0.199 402 K C 2.148 178.456 176.600 -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 32.169 32.500 -0.156 0.000 0.759 402 K HN 0.488 nan 8.250 nan 0.000 0.469 403 A N 1.530 123.819 122.820 -0.886 0.000 1.858 403 A HA -0.145 4.176 4.320 0.001 0.000 0.216 403 A C 1.902 178.829 177.584 -1.096 0.000 1.190 403 A CA 1.354 52.641 52.037 -1.249 0.000 0.617 403 A CB -0.652 17.585 19.000 -1.271 0.000 0.827 403 A HN 0.291 nan 8.150 nan 0.000 0.443 404 F N -0.166 119.560 119.950 -0.374 0.000 2.187 404 F HA 0.258 4.786 4.527 0.001 0.000 0.295 404 F C 2.602 178.315 175.800 -0.144 0.000 1.091 404 F CA 0.341 58.194 58.000 -0.244 0.000 1.308 404 F CB -1.101 37.805 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 1.625 53.689 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 0.173 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 53.281 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 0.419 nan 8.150 nan 0.000 0.446 407 V N 1.310 121.204 119.914 -0.032 0.000 2.233 407 V HA -0.224 3.896 4.120 0.001 0.000 0.247 407 V C 1.820 177.943 176.094 0.049 0.000 1.050 407 V CA 1.939 64.256 62.300 0.027 0.000 1.010 407 V CB -1.490 30.338 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