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 3huz_1_Z DATA FIRST_RESID 2 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPED 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.873 175.900 -0.045 0.000 1.272 2 Y CA 0.000 58.075 58.100 -0.043 0.000 1.940 2 Y CB 0.000 38.436 38.460 -0.041 0.000 1.050 3 R N 1.618 122.135 120.500 0.028 0.000 2.705 3 R HA 0.924 5.264 4.340 0.000 0.000 0.246 3 R C -1.809 174.507 176.300 0.027 0.000 1.142 3 R CA -0.935 55.166 56.100 0.002 0.000 1.114 3 R CB 1.381 31.660 30.300 -0.036 0.000 1.256 3 R HN 0.600 nan 8.270 nan 0.000 0.536 4 L N 0.370 121.597 121.223 0.007 0.000 4.768 4 L HA 0.152 4.492 4.340 0.000 0.000 0.254 4 L C -1.818 175.059 176.870 0.011 0.000 1.073 4 L CA -0.226 54.640 54.840 0.043 0.000 1.079 4 L CB 0.832 42.949 42.059 0.098 0.000 1.842 4 L HN 0.570 nan 8.230 nan 0.000 0.495 5 K N 3.916 124.332 120.400 0.026 0.000 2.412 5 K HA 0.704 5.024 4.320 0.000 0.000 0.284 5 K C -0.014 176.586 176.600 0.000 0.000 1.046 5 K CA 0.645 56.884 56.287 -0.080 0.000 0.999 5 K CB 0.870 33.281 32.500 -0.148 0.000 0.941 5 K HN 0.711 nan 8.250 nan 0.000 0.474 6 A N 3.775 126.520 122.820 -0.126 0.000 2.303 6 A HA 0.489 4.810 4.320 0.000 0.000 0.320 6 A C -1.369 176.126 177.584 -0.147 0.000 1.192 6 A CA -0.745 51.287 52.037 -0.010 0.000 0.821 6 A CB 0.327 19.287 19.000 -0.067 0.000 1.188 6 A HN 0.561 nan 8.150 nan 0.000 0.492 7 Y N 0.902 120.940 120.300 -0.436 0.000 2.331 7 Y HA 0.389 4.939 4.550 0.000 0.000 0.338 7 Y C -0.067 175.461 175.900 -0.620 0.000 0.992 7 Y CA -1.502 56.295 58.100 -0.504 0.000 1.121 7 Y CB 0.286 38.394 38.460 -0.586 0.000 1.184 7 Y HN 0.611 nan 8.280 nan 0.000 0.469 8 Y N 3.085 123.292 120.300 -0.155 0.000 2.944 8 Y HA -0.119 4.431 4.550 0.000 0.000 0.340 8 Y C 1.120 177.077 175.900 0.095 0.000 1.275 8 Y CA 0.478 58.561 58.100 -0.029 0.000 1.590 8 Y CB 0.332 38.813 38.460 0.034 0.000 1.218 8 Y HN 0.452 nan 8.280 nan 0.000 0.576 9 R N 4.163 124.814 120.500 0.252 0.000 2.235 9 R HA 0.089 4.429 4.340 0.000 0.000 0.338 9 R C 0.189 176.667 176.300 0.296 0.000 1.087 9 R CA -0.343 56.051 56.100 0.490 0.000 0.948 9 R CB 0.456 30.993 30.300 0.396 0.000 1.099 9 R HN 0.716 nan 8.270 nan 0.000 0.483 10 E N 2.351 122.730 120.200 0.297 0.000 2.333 10 E HA 0.001 4.351 4.350 0.000 0.000 0.198 10 E C 0.697 177.388 176.600 0.151 0.000 1.007 10 E CA 1.174 57.707 56.400 0.221 0.000 0.845 10 E CB 0.203 30.014 29.700 0.184 0.000 0.766 10 E HN 0.946 nan 8.360 nan 0.000 0.507 11 G N 0.908 109.785 108.800 0.129 0.000 2.842 11 G HA2 -0.079 3.881 3.960 0.000 0.000 0.242 11 G HA3 -0.079 3.881 3.960 0.000 0.000 0.242 11 G C -1.075 173.858 174.900 0.054 0.000 1.135 11 G CA -0.366 44.785 45.100 0.085 0.000 1.048 11 G HN 0.117 nan 8.290 nan 0.000 0.530 12 E N 0.170 120.391 120.200 0.034 0.000 2.343 12 E HA 0.585 4.935 4.350 0.000 0.000 0.286 12 E C 0.097 176.688 176.600 -0.015 0.000 0.915 12 E CA -0.946 55.462 56.400 0.013 0.000 0.784 12 E CB 1.184 30.895 29.700 0.017 0.000 1.251 12 E HN 0.472 nan 8.360 nan 0.000 0.407 13 K N 0.664 121.054 120.400 -0.018 0.000 3.181 13 K HA -0.147 4.173 4.320 0.000 0.000 0.269 13 K C -2.106 174.465 176.600 -0.048 0.000 1.097 13 K CA 0.382 56.648 56.287 -0.034 0.000 0.783 13 K CB -1.375 31.098 32.500 -0.046 0.000 1.267 13 K HN 0.385 nan 8.250 nan 0.000 0.484 14 P HA -0.235 nan 4.420 nan 0.000 0.223 14 P C 1.182 178.454 177.300 -0.046 0.000 1.140 14 P CA 1.449 64.529 63.100 -0.034 0.000 0.783 14 P CB 0.259 31.953 31.700 -0.009 0.000 0.759 15 S N -0.876 114.798 115.700 -0.044 0.000 2.327 15 S HA 0.011 4.481 4.470 0.000 0.000 0.213 15 S C 1.991 176.556 174.600 -0.057 0.000 1.032 15 S CA 0.914 59.088 58.200 -0.044 0.000 0.960 15 S CB -0.930 62.249 63.200 -0.034 0.000 0.900 15 S HN 0.077 nan 8.310 nan 0.000 0.469 16 A N 1.045 123.830 122.820 -0.059 0.000 2.019 16 A HA 0.038 4.358 4.320 0.000 0.000 0.219 16 A C 1.756 179.279 177.584 -0.101 0.000 1.164 16 A CA 1.110 53.106 52.037 -0.068 0.000 0.644 16 A CB -0.616 18.348 19.000 -0.060 0.000 0.805 16 A HN 0.507 nan 8.150 nan 0.000 0.449 17 L N -0.753 120.394 121.223 -0.127 0.000 2.622 17 L HA 0.039 4.380 4.340 0.000 0.000 0.233 17 L C 2.308 179.073 176.870 -0.174 0.000 1.156 17 L CA 1.214 55.932 54.840 -0.202 0.000 0.866 17 L CB -0.636 41.273 42.059 -0.250 0.000 0.980 17 L HN 0.350 nan 8.230 nan 0.000 0.448 18 R N -1.490 118.940 120.500 -0.116 0.000 2.123 18 R HA 0.132 4.472 4.340 0.000 0.000 0.209 18 R C 2.202 178.455 176.300 -0.079 0.000 1.078 18 R CA 0.118 56.161 56.100 -0.094 0.000 1.028 18 R CB -0.072 30.185 30.300 -0.072 0.000 0.939 18 R HN 0.177 nan 8.270 nan 0.000 0.463 19 R N 1.230 121.687 120.500 -0.073 0.000 2.103 19 R HA -0.091 4.249 4.340 0.000 0.000 0.234 19 R C 1.839 178.103 176.300 -0.059 0.000 1.132 19 R CA 1.735 57.800 56.100 -0.058 0.000 0.925 19 R CB -0.582 29.686 30.300 -0.053 0.000 0.842 19 R HN 0.142 nan 8.270 nan 0.000 0.430 20 A N 0.635 123.409 122.820 -0.076 0.000 2.142 20 A HA 0.148 4.468 4.320 0.000 0.000 0.208 20 A C 1.172 178.715 177.584 -0.067 0.000 1.344 20 A CA 0.855 52.849 52.037 -0.071 0.000 1.045 20 A CB -1.051 17.895 19.000 -0.091 0.000 0.784 20 A HN 0.634 nan 8.150 nan 0.000 0.509 21 G N -1.285 107.481 108.800 -0.058 0.000 2.153 21 G HA2 -0.262 3.698 3.960 0.000 0.000 0.252 21 G HA3 -0.262 3.698 3.960 0.000 0.000 0.252 21 G C 0.122 174.995 174.900 -0.045 0.000 0.994 21 G CA 0.819 45.895 45.100 -0.040 0.000 0.698 21 G HN 0.574 nan 8.290 nan 0.000 0.521 22 K N -0.935 119.415 120.400 -0.083 0.000 2.123 22 K HA 0.800 5.120 4.320 0.000 0.000 0.248 22 K C -0.114 176.430 176.600 -0.093 0.000 0.969 22 K CA -1.088 55.150 56.287 -0.081 0.000 0.882 22 K CB 1.558 33.949 32.500 -0.181 0.000 1.080 22 K HN 0.334 nan 8.250 nan 0.000 0.441 23 L N 3.163 124.341 121.223 -0.076 0.000 2.387 23 L HA 0.463 4.803 4.340 0.000 0.000 0.259 23 L C -2.624 174.148 176.870 -0.164 0.000 1.050 23 L CA -1.984 52.762 54.840 -0.157 0.000 0.922 23 L CB 0.827 42.721 42.059 -0.274 0.000 1.280 23 L HN 0.381 nan 8.230 nan 0.000 0.449 24 P HA 0.341 nan 4.420 nan 0.000 0.266 24 P C -0.118 176.999 177.300 -0.306 0.000 1.186 24 P CA 0.232 63.276 63.100 -0.093 0.000 0.767 24 P CB 0.683 32.364 31.700 -0.032 0.000 0.820 25 G N -0.021 108.568 108.800 -0.352 0.000 2.559 25 G HA2 0.484 4.444 3.960 0.000 0.000 0.291 25 G HA3 0.484 4.444 3.960 0.000 0.000 0.291 25 G C -1.986 172.694 174.900 -0.368 0.000 1.424 25 G CA -0.368 44.211 45.100 -0.868 0.000 0.786 25 G HN 0.531 nan 8.290 nan 0.000 0.485 26 V N 0.464 120.183 119.914 -0.326 0.000 2.823 26 V HA 0.868 4.988 4.120 0.000 0.000 0.312 26 V C -0.663 175.362 176.094 -0.115 0.000 1.072 26 V CA -1.006 61.280 62.300 -0.024 0.000 0.937 26 V CB 1.888 33.846 31.823 0.225 0.000 1.013 26 V HN 0.920 nan 8.190 nan 0.000 0.430 27 M N 7.390 126.987 119.600 -0.004 0.000 2.190 27 M HA 0.665 5.145 4.480 0.000 0.000 0.312 27 M C -1.911 174.411 176.300 0.035 0.000 0.990 27 M CA -0.446 54.852 55.300 -0.004 0.000 0.927 27 M CB 1.415 34.084 32.600 0.116 0.000 1.571 27 M HN 0.842 nan 8.290 nan 0.000 0.427 28 Y N 2.151 122.579 120.300 0.213 0.000 2.670 28 Y HA 0.730 5.280 4.550 0.000 0.000 0.334 28 Y C -1.265 174.823 175.900 0.313 0.000 1.185 28 Y CA -1.983 56.228 58.100 0.186 0.000 1.053 28 Y CB 1.074 39.598 38.460 0.107 0.000 1.298 28 Y HN 0.735 nan 8.280 nan 0.000 0.459 29 N N 1.633 120.661 118.700 0.546 0.000 4.252 29 N HA 0.039 4.779 4.740 0.000 0.000 0.145 29 N C 0.083 175.673 175.510 0.133 0.000 1.398 29 N CA 0.097 53.466 53.050 0.533 0.000 1.038 29 N CB 0.403 39.233 38.487 0.570 0.000 1.738 29 N HN 1.038 nan 8.380 nan 0.000 0.776 30 R N 0.006 120.511 120.500 0.009 0.000 3.361 30 R HA -0.349 3.991 4.340 0.000 0.000 0.238 30 R C 0.024 176.232 176.300 -0.153 0.000 0.840 30 R CA 2.860 58.857 56.100 -0.171 0.000 1.710 30 R CB -1.240 28.843 30.300 -0.362 0.000 1.549 30 R HN 0.770 nan 8.270 nan 0.000 0.547 31 H N -0.720 118.428 119.070 0.131 0.000 2.334 31 H HA 0.146 4.702 4.556 0.000 0.000 0.315 31 H C 0.805 176.199 175.328 0.111 0.000 1.056 31 H CA 0.795 56.904 56.048 0.100 0.000 1.418 31 H CB -0.582 29.232 29.762 0.086 0.000 1.464 31 H HN 0.184 nan 8.280 nan 0.000 0.587 32 L N 1.698 123.083 121.223 0.270 0.000 2.399 32 L HA 0.319 4.659 4.340 0.000 0.000 0.266 32 L C -0.174 176.826 176.870 0.217 0.000 1.114 32 L CA -0.072 54.891 54.840 0.206 0.000 0.804 32 L CB 0.788 42.954 42.059 0.178 0.000 1.146 32 L HN 0.207 nan 8.230 nan 0.000 0.451 33 N N 3.153 121.962 118.700 0.182 0.000 3.354 33 N HA 0.187 4.927 4.740 0.000 0.000 0.196 33 N C -1.665 173.928 175.510 0.138 0.000 1.486 33 N CA -0.393 52.780 53.050 0.205 0.000 0.768 33 N CB 0.696 39.287 38.487 0.173 0.000 1.625 33 N HN 0.504 nan 8.380 nan 0.000 0.636 34 R N 1.551 122.104 120.500 0.089 0.000 2.513 34 R HA 0.277 4.617 4.340 0.000 0.000 0.301 34 R C -0.144 176.139 176.300 -0.028 0.000 0.968 34 R CA -0.647 55.453 56.100 0.001 0.000 0.872 34 R CB 1.878 32.094 30.300 -0.141 0.000 1.177 34 R HN 0.340 nan 8.270 nan 0.000 0.444 35 K N 1.805 122.215 120.400 0.016 0.000 2.351 35 K HA 0.152 4.472 4.320 0.000 0.000 0.287 35 K C 0.774 177.369 176.600 -0.010 0.000 1.068 35 K CA -0.339 55.974 56.287 0.044 0.000 0.998 35 K CB 0.138 32.693 32.500 0.091 0.000 0.968 35 K HN 0.334 nan 8.250 nan 0.000 0.464 36 V N 0.985 120.893 119.914 -0.010 0.000 3.488 36 V HA 0.686 4.806 4.120 0.000 0.000 0.291 36 V C -0.909 175.269 176.094 0.139 0.000 1.163 36 V CA -0.826 61.465 62.300 -0.015 0.000 0.971 36 V CB 0.617 32.448 31.823 0.013 0.000 1.245 36 V HN 0.893 nan 8.190 nan 0.000 0.456 37 Y N -0.574 119.773 120.300 0.078 0.000 2.393 37 Y HA 0.693 5.243 4.550 0.000 0.000 0.320 37 Y C -0.802 175.183 175.900 0.142 0.000 1.241 37 Y CA -0.660 57.469 58.100 0.049 0.000 1.122 37 Y CB 0.082 38.549 38.460 0.011 0.000 1.322 37 Y HN 0.857 nan 8.280 nan 0.000 0.441 38 V N -0.274 119.842 119.914 0.336 0.000 6.042 38 V HA 0.672 4.792 4.120 0.000 0.000 0.274 38 V C -0.671 175.598 176.094 0.292 0.000 1.560 38 V CA 0.345 62.842 62.300 0.329 0.000 0.633 38 V CB 1.406 33.452 31.823 0.372 0.000 1.429 38 V HN 0.983 nan 8.190 nan 0.000 0.386 39 D N -1.347 119.190 120.400 0.228 0.000 2.763 39 D HA 0.291 4.931 4.640 0.000 0.000 0.235 39 D C 0.591 176.983 176.300 0.153 0.000 1.334 39 D CA -0.471 53.615 54.000 0.143 0.000 0.950 39 D CB 2.257 43.129 40.800 0.120 0.000 1.433 39 D HN 0.564 nan 8.370 nan 0.000 0.580 40 L N 2.992 124.261 121.223 0.077 0.000 2.071 40 L HA -0.316 4.024 4.340 0.000 0.000 0.244 40 L C 2.594 179.559 176.870 0.159 0.000 1.107 40 L CA 2.263 57.151 54.840 0.079 0.000 0.838 40 L CB -0.611 41.464 42.059 0.027 0.000 0.936 40 L HN 0.483 nan 8.230 nan 0.000 0.445 41 V N -0.419 119.565 119.914 0.116 0.000 2.317 41 V HA -0.377 3.743 4.120 0.000 0.000 0.251 41 V C 2.305 178.492 176.094 0.155 0.000 1.065 41 V CA 2.499 64.872 62.300 0.122 0.000 1.049 41 V CB -0.379 31.495 31.823 0.085 0.000 0.651 41 V HN 0.578 nan 8.190 nan 0.000 0.450 42 E N -0.687 119.616 120.200 0.171 0.000 2.005 42 E HA -0.258 4.092 4.350 0.000 0.000 0.198 42 E C 2.038 178.777 176.600 0.232 0.000 1.010 42 E CA 1.809 58.319 56.400 0.185 0.000 0.825 42 E CB -0.470 29.350 29.700 0.201 0.000 0.769 42 E HN 0.716 nan 8.360 nan 0.000 0.456 43 F N 2.573 122.611 119.950 0.147 0.000 2.154 43 F HA -0.267 4.260 4.527 0.000 0.000 0.301 43 F C 1.940 177.855 175.800 0.192 0.000 1.087 43 F CA 1.799 59.909 58.000 0.184 0.000 1.274 43 F CB -0.209 38.886 39.000 0.158 0.000 1.009 43 F HN -0.018 nan 8.300 nan 0.000 0.485 44 D N 0.478 121.120 120.400 0.403 0.000 2.106 44 D HA -0.209 4.431 4.640 0.000 0.000 0.191 44 D C 2.128 178.531 176.300 0.172 0.000 0.997 44 D CA 1.677 55.851 54.000 0.290 0.000 0.834 44 D CB -0.143 40.782 40.800 0.209 0.000 0.956 44 D HN 0.360 nan 8.370 nan 0.000 0.448 45 K N -0.033 120.449 120.400 0.138 0.000 2.001 45 K HA -0.075 4.245 4.320 0.000 0.000 0.208 45 K C 2.309 178.968 176.600 0.098 0.000 1.048 45 K CA 0.807 57.160 56.287 0.111 0.000 0.932 45 K CB -0.275 32.285 32.500 0.101 0.000 0.715 45 K HN 0.036 nan 8.250 nan 0.000 0.437 46 V N 1.467 121.428 119.914 0.078 0.000 2.214 46 V HA -0.289 3.831 4.120 0.000 0.000 0.247 46 V C 2.077 178.134 176.094 -0.060 0.000 1.051 46 V CA 2.090 64.438 62.300 0.079 0.000 1.003 46 V CB -0.580 31.257 31.823 0.023 0.000 0.635 46 V HN 0.234 nan 8.190 nan 0.000 0.447 47 F N 0.812 120.503 119.950 -0.431 0.000 2.236 47 F HA -0.203 4.324 4.527 0.000 0.000 0.302 47 F C 2.514 178.191 175.800 -0.205 0.000 1.073 47 F CA 1.483 59.193 58.000 -0.483 0.000 1.336 47 F CB -0.252 38.209 39.000 -0.899 0.000 1.040 47 F HN -0.016 nan 8.300 nan 0.000 0.507 48 R N 0.426 120.954 120.500 0.046 0.000 2.103 48 R HA -0.217 4.123 4.340 0.000 0.000 0.234 48 R C 2.176 178.428 176.300 -0.081 0.000 1.132 48 R CA 2.342 58.473 56.100 0.051 0.000 0.925 48 R CB -1.189 29.164 30.300 0.089 0.000 0.842 48 R HN 0.439 nan 8.270 nan 0.000 0.430 49 Q N -0.698 119.050 119.800 -0.086 0.000 2.212 49 Q HA 0.082 4.422 4.340 0.000 0.000 0.199 49 Q C 2.001 177.791 176.000 -0.349 0.000 0.950 49 Q CA 1.022 56.757 55.803 -0.113 0.000 0.863 49 Q CB 0.042 28.817 28.738 0.063 0.000 0.944 49 Q HN 0.335 nan 8.270 nan 0.000 0.465 50 A N 0.347 122.789 122.820 -0.630 0.000 1.833 50 A HA -0.084 4.236 4.320 0.000 0.000 0.215 50 A C 1.551 178.749 177.584 -0.644 0.000 1.275 50 A CA 1.357 52.930 52.037 -0.774 0.000 0.602 50 A CB -0.784 17.748 19.000 -0.780 0.000 0.929 50 A HN 0.301 nan 8.150 nan 0.000 0.462 51 S N -2.005 113.016 115.700 -1.132 0.000 4.159 51 S HA -0.287 4.183 4.470 0.000 0.000 0.545 51 S C -0.173 173.830 174.600 -0.994 0.000 1.865 51 S CA 2.409 59.394 58.200 -2.026 0.000 4.250 51 S CB -1.934 60.577 63.200 -1.149 0.000 0.206 51 S HN 1.948 nan 8.310 nan 0.000 0.454 52 I N -0.142 119.978 120.570 -0.750 0.000 2.771 52 I HA 0.650 4.820 4.170 0.000 0.000 0.268 52 I C -0.229 175.404 176.117 -0.807 0.000 1.589 52 I CA -0.328 60.662 61.300 -0.516 0.000 0.838 52 I CB 0.794 38.623 38.000 -0.286 0.000 1.551 52 I HN 0.577 nan 8.210 nan 0.000 0.545 53 H N 0.291 119.231 119.070 -0.217 0.000 3.337 53 H HA 0.310 4.866 4.556 0.000 0.000 0.223 53 H C -0.377 174.582 175.328 -0.615 0.000 1.033 53 H CA -0.038 55.796 56.048 -0.357 0.000 1.027 53 H CB 0.860 30.387 29.762 -0.391 0.000 1.113 53 H HN 0.448 nan 8.280 nan 0.000 0.709 54 H N 0.732 119.789 119.070 -0.021 0.000 2.894 54 H HA 0.301 4.857 4.556 0.000 0.000 0.367 54 H C 0.170 175.466 175.328 -0.053 0.000 1.144 54 H CA -0.569 55.457 56.048 -0.037 0.000 1.180 54 H CB 2.570 32.291 29.762 -0.067 0.000 1.758 54 H HN -0.168 nan 8.280 nan 0.000 0.541 55 V N 2.999 122.992 119.914 0.131 0.000 3.367 55 V HA -0.076 4.044 4.120 0.000 0.000 0.304 55 V C 0.903 177.039 176.094 0.070 0.000 1.131 55 V CA 0.351 62.692 62.300 0.069 0.000 1.233 55 V CB 0.158 32.010 31.823 0.049 0.000 1.021 55 V HN 0.482 nan 8.190 nan 0.000 0.497 56 I N 1.034 121.618 120.570 0.022 0.000 3.108 56 I HA 0.544 4.714 4.170 0.000 0.000 0.312 56 I C -0.533 175.551 176.117 -0.055 0.000 1.095 56 I CA -0.607 60.693 61.300 -0.001 0.000 1.000 56 I CB 2.244 40.213 38.000 -0.051 0.000 1.229 56 I HN 0.288 nan 8.210 nan 0.000 0.454 57 V N 4.754 124.627 119.914 -0.068 0.000 2.419 57 V HA 0.386 4.506 4.120 0.000 0.000 0.287 57 V C -0.269 175.749 176.094 -0.127 0.000 1.017 57 V CA -0.541 61.706 62.300 -0.089 0.000 0.844 57 V CB 1.734 33.525 31.823 -0.054 0.000 1.011 57 V HN 0.370 nan 8.190 nan 0.000 0.429 58 L N 4.468 125.582 121.223 -0.183 0.000 2.276 58 L HA 0.532 4.872 4.340 0.000 0.000 0.286 58 L C 0.504 177.290 176.870 -0.141 0.000 1.061 58 L CA -0.234 54.484 54.840 -0.203 0.000 0.807 58 L CB 1.116 42.984 42.059 -0.318 0.000 1.177 58 L HN 0.642 nan 8.230 nan 0.000 0.429 59 E N 4.621 124.737 120.200 -0.139 0.000 2.597 59 E HA 0.234 4.584 4.350 0.000 0.000 0.235 59 E C -0.389 176.104 176.600 -0.178 0.000 1.155 59 E CA -0.582 55.735 56.400 -0.139 0.000 1.199 59 E CB 0.668 30.286 29.700 -0.137 0.000 1.409 59 E HN 0.415 nan 8.360 nan 0.000 0.453 60 L N 1.327 122.483 121.223 -0.111 0.000 2.489 60 L HA -0.054 4.286 4.340 0.000 0.000 0.285 60 L C -1.011 175.807 176.870 -0.087 0.000 1.259 60 L CA -0.494 54.314 54.840 -0.053 0.000 0.828 60 L CB -0.348 41.804 42.059 0.155 0.000 1.094 60 L HN 0.092 nan 8.230 nan 0.000 0.524 61 P HA -0.150 nan 4.420 nan 0.000 0.216 61 P C 0.309 177.566 177.300 -0.071 0.000 1.153 61 P CA 1.239 64.283 63.100 -0.094 0.000 0.858 61 P CB 0.132 31.796 31.700 -0.061 0.000 0.789 62 D N -0.694 119.669 120.400 -0.061 0.000 2.636 62 D HA 0.043 4.683 4.640 0.000 0.000 0.256 62 D C 1.690 177.968 176.300 -0.037 0.000 1.280 62 D CA 1.184 55.151 54.000 -0.056 0.000 0.910 62 D CB -0.765 39.996 40.800 -0.064 0.000 1.045 62 D HN 0.167 nan 8.370 nan 0.000 0.472 63 G N 1.717 110.488 108.800 -0.047 0.000 5.206 63 G HA2 -0.414 3.546 3.960 0.000 0.000 0.328 63 G HA3 -0.414 3.546 3.960 0.000 0.000 0.328 63 G C 0.091 174.965 174.900 -0.043 0.000 1.382 63 G CA 0.160 45.233 45.100 -0.046 0.000 0.994 63 G HN 0.500 nan 8.290 nan 0.000 0.800 64 Q N -0.034 119.750 119.800 -0.026 0.000 3.160 64 Q HA 0.029 4.369 4.340 0.000 0.000 0.099 64 Q C -0.127 175.849 176.000 -0.039 0.000 1.671 64 Q CA 0.868 56.658 55.803 -0.021 0.000 0.304 64 Q CB -0.453 28.290 28.738 0.008 0.000 0.675 64 Q HN 0.860 nan 8.270 nan 0.000 0.353 65 S N 2.763 118.438 115.700 -0.041 0.000 2.080 65 S HA 0.419 4.889 4.470 0.000 0.000 0.162 65 S C -0.748 173.820 174.600 -0.054 0.000 1.618 65 S CA -0.854 57.314 58.200 -0.053 0.000 1.200 65 S CB -0.057 63.114 63.200 -0.049 0.000 1.135 65 S HN 0.396 nan 8.310 nan 0.000 0.455 66 L N 1.859 123.044 121.223 -0.062 0.000 2.312 66 L HA 0.746 5.086 4.340 0.000 0.000 0.281 66 L C -2.822 173.995 176.870 -0.088 0.000 1.070 66 L CA -2.492 52.309 54.840 -0.064 0.000 0.805 66 L CB -0.710 41.317 42.059 -0.053 0.000 1.174 66 L HN 0.107 nan 8.230 nan 0.000 0.434 67 P HA 0.497 nan 4.420 nan 0.000 0.285 67 P C -0.691 176.549 177.300 -0.101 0.000 1.259 67 P CA -0.256 62.797 63.100 -0.079 0.000 0.794 67 P CB 1.443 33.108 31.700 -0.057 0.000 0.940 68 T N 0.255 114.746 114.554 -0.105 0.000 2.843 68 T HA 0.658 5.008 4.350 0.000 0.000 0.302 68 T C -1.141 173.559 174.700 -0.001 0.000 1.232 68 T CA -0.864 61.186 62.100 -0.084 0.000 1.009 68 T CB 0.755 69.548 68.868 -0.125 0.000 1.254 68 T HN 0.090 nan 8.240 nan 0.000 0.504 69 L N 1.739 123.016 121.223 0.091 0.000 2.356 69 L HA 0.530 4.870 4.340 0.000 0.000 0.277 69 L C -0.194 176.867 176.870 0.318 0.000 0.996 69 L CA -1.438 53.498 54.840 0.160 0.000 0.822 69 L CB 2.205 44.337 42.059 0.122 0.000 1.256 69 L HN 0.602 nan 8.230 nan 0.000 0.413 70 V N 5.090 125.234 119.914 0.384 0.000 2.452 70 V HA -0.040 4.080 4.120 0.000 0.000 0.286 70 V C 1.466 177.726 176.094 0.277 0.000 0.995 70 V CA 0.230 62.795 62.300 0.441 0.000 1.116 70 V CB 0.472 32.645 31.823 0.584 0.000 0.954 70 V HN 0.743 nan 8.190 nan 0.000 0.473 71 R N 3.788 124.411 120.500 0.206 0.000 2.126 71 R HA -0.060 4.280 4.340 0.000 0.000 0.224 71 R C 0.915 177.308 176.300 0.156 0.000 1.128 71 R CA 1.765 57.978 56.100 0.188 0.000 0.895 71 R CB -0.015 30.380 30.300 0.157 0.000 0.817 71 R HN 0.952 nan 8.270 nan 0.000 0.435 72 Q N -1.783 118.082 119.800 0.109 0.000 2.857 72 Q HA 0.617 4.957 4.340 0.000 0.000 0.319 72 Q C -1.352 174.670 176.000 0.038 0.000 0.963 72 Q CA -1.003 54.854 55.803 0.090 0.000 0.770 72 Q CB 2.037 30.823 28.738 0.079 0.000 1.492 72 Q HN -0.061 nan 8.270 nan 0.000 0.493 73 V N 1.200 121.122 119.914 0.013 0.000 2.777 73 V HA 0.320 4.440 4.120 0.000 0.000 0.306 73 V C -1.557 174.515 176.094 -0.036 0.000 1.112 73 V CA -0.930 61.337 62.300 -0.055 0.000 0.917 73 V CB 2.069 33.798 31.823 -0.158 0.000 1.018 73 V HN 0.716 nan 8.190 nan 0.000 0.426 74 N N 4.909 123.595 118.700 -0.024 0.000 2.415 74 N HA 0.441 5.181 4.740 0.000 0.000 0.246 74 N C -0.561 174.918 175.510 -0.051 0.000 1.078 74 N CA -0.434 52.598 53.050 -0.030 0.000 0.942 74 N CB 0.574 39.043 38.487 -0.030 0.000 1.140 74 N HN 0.394 nan 8.380 nan 0.000 0.501 75 L N 0.832 122.026 121.223 -0.048 0.000 2.436 75 L HA 0.244 4.584 4.340 0.000 0.000 0.265 75 L C 0.714 177.560 176.870 -0.041 0.000 1.168 75 L CA -0.211 54.598 54.840 -0.051 0.000 0.815 75 L CB 0.402 42.439 42.059 -0.035 0.000 1.109 75 L HN 0.458 nan 8.230 nan 0.000 0.462 76 D N 1.664 122.040 120.400 -0.040 0.000 2.336 76 D HA 0.066 4.706 4.640 0.000 0.000 0.249 76 D C 1.022 177.308 176.300 -0.024 0.000 1.213 76 D CA -0.254 53.727 54.000 -0.033 0.000 0.870 76 D CB 0.875 41.655 40.800 -0.034 0.000 1.076 76 D HN 0.236 nan 8.370 nan 0.000 0.483 77 K N 2.864 123.251 120.400 -0.022 0.000 2.242 77 K HA -0.150 4.170 4.320 0.000 0.000 0.206 77 K C 0.251 176.843 176.600 -0.013 0.000 1.045 77 K CA 1.047 57.325 56.287 -0.016 0.000 0.930 77 K CB -0.208 32.283 32.500 -0.016 0.000 0.726 77 K HN 0.466 nan 8.250 nan 0.000 0.462 78 R N 1.171 121.662 120.500 -0.015 0.000 2.239 78 R HA 0.262 4.602 4.340 0.000 0.000 0.332 78 R C 0.211 176.503 176.300 -0.012 0.000 0.988 78 R CA -0.436 55.657 56.100 -0.012 0.000 0.859 78 R CB 1.015 31.308 30.300 -0.013 0.000 1.148 78 R HN -0.011 nan 8.270 nan 0.000 0.482 79 R N 1.842 122.337 120.500 -0.008 0.000 3.804 79 R HA -0.220 4.120 4.340 0.000 0.000 0.459 79 R C 0.711 177.007 176.300 -0.006 0.000 1.009 79 R CA 1.195 57.292 56.100 -0.005 0.000 1.210 79 R CB -1.320 28.977 30.300 -0.006 0.000 1.860 79 R HN 1.047 nan 8.270 nan 0.000 0.526 80 R N -0.528 119.966 120.500 -0.010 0.000 4.024 80 R HA -0.249 4.091 4.340 0.000 0.000 0.372 80 R C 0.186 176.471 176.300 -0.025 0.000 1.192 80 R CA 2.073 58.165 56.100 -0.013 0.000 1.183 80 R CB -1.800 28.499 30.300 -0.001 0.000 1.672 80 R HN 0.368 nan 8.270 nan 0.000 0.571 81 R N 2.880 123.365 120.500 -0.025 0.000 3.236 81 R HA 0.005 4.345 4.340 0.000 0.000 0.350 81 R C -1.651 174.612 176.300 -0.061 0.000 0.770 81 R CA -0.206 55.873 56.100 -0.035 0.000 1.049 81 R CB 0.174 30.456 30.300 -0.029 0.000 0.909 81 R HN 0.267 nan 8.270 nan 0.000 0.381 82 P HA -0.132 nan 4.420 nan 0.000 0.257 82 P C -0.461 176.751 177.300 -0.145 0.000 1.153 82 P CA 0.725 63.738 63.100 -0.145 0.000 0.762 82 P CB 0.441 32.004 31.700 -0.227 0.000 0.743 83 E N 1.856 121.990 120.200 -0.111 0.000 2.102 83 E HA -0.041 4.309 4.350 0.000 0.000 0.190 83 E C 0.904 177.471 176.600 -0.056 0.000 0.971 83 E CA 0.655 57.011 56.400 -0.075 0.000 0.821 83 E CB 0.124 29.800 29.700 -0.040 0.000 0.777 83 E HN 0.622 nan 8.360 nan 0.000 0.460 84 H N -0.043 118.905 119.070 -0.204 0.000 2.930 84 H HA 0.352 4.908 4.556 0.000 0.000 0.371 84 H C -1.527 173.613 175.328 -0.314 0.000 1.169 84 H CA -0.858 55.054 56.048 -0.226 0.000 1.157 84 H CB 1.884 31.557 29.762 -0.148 0.000 1.789 84 H HN -0.094 nan 8.280 nan 0.000 0.547 85 V N 1.761 121.079 119.914 -0.993 0.000 2.555 85 V HA 0.417 4.537 4.120 0.000 0.000 0.302 85 V C -0.344 175.196 176.094 -0.922 0.000 1.038 85 V CA -0.939 60.823 62.300 -0.897 0.000 0.887 85 V CB 1.767 32.925 31.823 -1.108 0.000 0.991 85 V HN 0.615 nan 8.190 nan 0.000 0.434 86 D N 3.121 123.196 120.400 -0.541 0.000 2.256 86 D HA 0.556 5.196 4.640 0.000 0.000 0.240 86 D C -1.087 174.954 176.300 -0.431 0.000 1.062 86 D CA 0.041 53.816 54.000 -0.373 0.000 0.832 86 D CB 1.611 42.389 40.800 -0.036 0.000 1.135 86 D HN 0.572 nan 8.370 nan 0.000 0.484 87 F N 2.756 122.512 119.950 -0.323 0.000 2.382 87 F HA 0.306 4.833 4.527 0.000 0.000 0.361 87 F C -0.092 175.562 175.800 -0.243 0.000 1.109 87 F CA -1.139 56.744 58.000 -0.195 0.000 1.031 87 F CB 1.089 40.013 39.000 -0.126 0.000 1.234 87 F HN 0.202 nan 8.300 nan 0.000 0.445 88 F N 5.271 125.201 119.950 -0.033 0.000 2.391 88 F HA 0.533 5.060 4.527 0.000 0.000 0.359 88 F C -0.449 175.387 175.800 0.059 0.000 1.122 88 F CA -1.061 56.941 58.000 0.003 0.000 1.120 88 F CB 0.709 39.773 39.000 0.107 0.000 1.142 88 F HN -0.014 nan 8.300 nan 0.000 0.483 89 V N 7.240 127.162 119.914 0.012 0.000 2.488 89 V HA 0.047 4.167 4.120 0.000 0.000 0.277 89 V C 0.392 176.239 176.094 -0.410 0.000 1.046 89 V CA -0.617 61.593 62.300 -0.150 0.000 0.986 89 V CB 0.509 32.330 31.823 -0.003 0.000 0.989 89 V HN 0.598 nan 8.190 nan 0.000 0.475 90 L N 3.941 124.961 121.223 -0.338 0.000 2.468 90 L HA 0.299 4.639 4.340 0.000 0.000 0.253 90 L C 1.274 178.045 176.870 -0.166 0.000 1.237 90 L CA 1.098 55.744 54.840 -0.323 0.000 0.823 90 L CB 0.097 42.044 42.059 -0.186 0.000 1.124 90 L HN 0.774 nan 8.230 nan 0.000 0.504 91 S N -1.753 113.886 115.700 -0.103 0.000 4.198 91 S HA 0.173 4.643 4.470 0.000 0.000 0.202 91 S C -0.339 174.254 174.600 -0.011 0.000 1.124 91 S CA 0.520 58.712 58.200 -0.014 0.000 1.050 91 S CB 0.090 63.335 63.200 0.075 0.000 1.401 91 S HN 0.958 nan 8.310 nan 0.000 0.589 92 D N -0.616 119.781 120.400 -0.005 0.000 3.321 92 D HA 0.016 4.656 4.640 0.000 0.000 0.516 92 D C -0.767 175.537 176.300 0.007 0.000 0.678 92 D CA -0.254 53.745 54.000 -0.002 0.000 1.004 92 D CB -0.769 40.034 40.800 0.005 0.000 1.598 92 D HN 0.204 nan 8.370 nan 0.000 0.266 93 E N 1.842 122.053 120.200 0.017 0.000 2.376 93 E HA 0.182 4.532 4.350 0.000 0.000 0.266 93 E C -2.031 174.581 176.600 0.019 0.000 1.009 93 E CA -1.496 54.923 56.400 0.031 0.000 0.902 93 E CB 0.333 30.068 29.700 0.058 0.000 0.972 93 E HN 0.130 nan 8.360 nan 0.000 0.439 94 P HA -0.023 nan 4.420 nan 0.000 0.251 94 P C -0.316 176.995 177.300 0.017 0.000 1.624 94 P CA 0.082 63.188 63.100 0.010 0.000 0.907 94 P CB -0.157 31.548 31.700 0.007 0.000 1.867 95 V N 0.973 120.904 119.914 0.029 0.000 2.790 95 V HA -0.175 3.945 4.120 0.000 0.000 0.304 95 V C 1.011 177.121 176.094 0.027 0.000 1.142 95 V CA 0.763 63.098 62.300 0.058 0.000 1.282 95 V CB -0.254 31.615 31.823 0.077 0.000 0.877 95 V HN 0.347 nan 8.190 nan 0.000 0.504 96 E N 5.936 126.151 120.200 0.025 0.000 2.105 96 E HA 0.545 4.895 4.350 0.000 0.000 0.285 96 E C -0.060 176.498 176.600 -0.069 0.000 1.055 96 E CA -0.054 56.322 56.400 -0.040 0.000 0.843 96 E CB 0.747 30.416 29.700 -0.051 0.000 1.067 96 E HN 0.672 nan 8.360 nan 0.000 0.398 97 M N -0.184 119.351 119.600 -0.108 0.000 2.664 97 M HA 0.532 5.012 4.480 0.000 0.000 0.279 97 M C -1.390 174.801 176.300 -0.182 0.000 1.275 97 M CA -1.148 54.081 55.300 -0.118 0.000 0.829 97 M CB 1.434 34.040 32.600 0.010 0.000 1.727 97 M HN 0.120 nan 8.290 nan 0.000 0.459 98 Y N 0.871 121.169 120.300 -0.004 0.000 2.327 98 Y HA 0.630 5.180 4.550 0.000 0.000 0.336 98 Y C -0.459 175.462 175.900 0.034 0.000 1.035 98 Y CA -0.429 57.668 58.100 -0.006 0.000 1.165 98 Y CB 1.313 39.762 38.460 -0.019 0.000 1.181 98 Y HN 0.480 nan 8.280 nan 0.000 0.494 99 V N 4.330 124.367 119.914 0.204 0.000 2.760 99 V HA 0.469 4.589 4.120 0.000 0.000 0.309 99 V C -2.587 173.562 176.094 0.091 0.000 1.077 99 V CA -3.002 59.374 62.300 0.127 0.000 0.910 99 V CB 1.995 33.824 31.823 0.011 0.000 1.008 99 V HN 0.495 nan 8.190 nan 0.000 0.424 100 P HA 0.228 nan 4.420 nan 0.000 0.269 100 P C -1.146 176.165 177.300 0.019 0.000 1.211 100 P CA 0.073 63.105 63.100 -0.115 0.000 0.781 100 P CB 0.313 31.828 31.700 -0.308 0.000 0.877 101 L N 2.141 123.331 121.223 -0.055 0.000 2.427 101 L HA 0.403 4.743 4.340 0.000 0.000 0.264 101 L C 0.561 177.133 176.870 -0.497 0.000 0.989 101 L CA -0.088 54.654 54.840 -0.165 0.000 0.865 101 L CB 1.020 42.923 42.059 -0.259 0.000 1.209 101 L HN 0.202 nan 8.230 nan 0.000 0.430 102 R N 1.329 121.625 120.500 -0.341 0.000 2.694 102 R HA 0.272 4.612 4.340 0.000 0.000 0.268 102 R C -0.228 175.720 176.300 -0.587 0.000 1.061 102 R CA 0.444 56.237 56.100 -0.511 0.000 1.133 102 R CB 0.520 30.290 30.300 -0.882 0.000 1.020 102 R HN 0.388 nan 8.270 nan 0.000 0.475 103 F N 1.363 121.274 119.950 -0.066 0.000 2.791 103 F HA 0.157 4.684 4.527 0.000 0.000 0.308 103 F C 0.221 176.009 175.800 -0.019 0.000 1.138 103 F CA -0.455 57.535 58.000 -0.016 0.000 1.294 103 F CB 0.610 39.603 39.000 -0.013 0.000 0.975 103 F HN 0.205 nan 8.300 nan 0.000 0.512 104 V N 2.047 121.988 119.914 0.045 0.000 2.877 104 V HA 0.199 4.319 4.120 0.000 0.000 0.294 104 V C 0.732 176.866 176.094 0.066 0.000 1.280 104 V CA 1.083 63.405 62.300 0.036 0.000 1.372 104 V CB -0.319 31.512 31.823 0.014 0.000 0.867 104 V HN 0.797 nan 8.190 nan 0.000 0.513 105 G N 4.118 112.948 108.800 0.050 0.000 3.445 105 G HA2 -0.068 3.892 3.960 0.000 0.000 0.634 105 G HA3 -0.068 3.892 3.960 0.000 0.000 0.634 105 G C -0.189 174.746 174.900 0.058 0.000 0.909 105 G CA 0.136 45.265 45.100 0.047 0.000 0.740 105 G HN 2.209 nan 8.290 nan 0.000 0.441 106 T N 1.956 116.534 114.554 0.039 0.000 2.882 106 T HA 0.816 5.166 4.350 0.000 0.000 0.287 106 T C -1.464 173.251 174.700 0.025 0.000 1.014 106 T CA -0.820 61.298 62.100 0.031 0.000 1.049 106 T CB 2.514 71.390 68.868 0.014 0.000 1.001 106 T HN 0.586 nan 8.240 nan 0.000 0.525 107 P HA 0.373 nan 4.420 nan 0.000 0.284 107 P C 0.548 177.852 177.300 0.006 0.000 1.292 107 P CA -0.617 62.491 63.100 0.013 0.000 0.800 107 P CB 0.874 32.580 31.700 0.010 0.000 1.188 108 A N 0.576 123.399 122.820 0.005 0.000 2.015 108 A HA 0.050 4.370 4.320 0.000 0.000 0.219 108 A C 1.752 179.335 177.584 -0.001 0.000 1.163 108 A CA 1.344 53.383 52.037 0.002 0.000 0.646 108 A CB -1.691 17.310 19.000 0.003 0.000 0.806 108 A HN 0.660 nan 8.150 nan 0.000 0.448 109 G N -0.363 108.435 108.800 -0.004 0.000 2.764 109 G HA2 0.362 4.322 3.960 0.000 0.000 0.278 109 G HA3 0.362 4.322 3.960 0.000 0.000 0.278 109 G C -0.178 174.717 174.900 -0.009 0.000 0.686 109 G CA 0.781 45.877 45.100 -0.008 0.000 2.105 109 G HN 0.958 nan 8.290 nan 0.000 0.562 110 V N 2.423 122.333 119.914 -0.007 0.000 5.631 110 V HA 0.307 4.427 4.120 0.000 0.000 0.520 110 V C 0.580 176.671 176.094 -0.004 0.000 1.569 110 V CA -0.332 61.964 62.300 -0.007 0.000 2.782 110 V CB -0.216 31.603 31.823 -0.008 0.000 0.187 110 V HN 0.692 nan 8.190 nan 0.000 0.505 111 R N 0.564 121.062 120.500 -0.004 0.000 2.551 111 R HA 0.495 4.835 4.340 0.000 0.000 0.202 111 R C 1.486 177.784 176.300 -0.003 0.000 0.861 111 R CA 1.252 57.350 56.100 -0.003 0.000 1.018 111 R CB 0.949 31.248 30.300 -0.002 0.000 1.435 111 R HN 0.554 nan 8.270 nan 0.000 0.659 112 A N 0.099 122.917 122.820 -0.004 0.000 2.070 112 A HA 0.518 4.838 4.320 0.000 0.000 0.202 112 A C 0.656 178.237 177.584 -0.005 0.000 1.277 112 A CA 0.772 52.807 52.037 -0.004 0.000 0.872 112 A CB 0.844 19.842 19.000 -0.003 0.000 0.933 112 A HN 0.472 nan 8.150 nan 0.000 0.475 113 G N -2.804 105.993 108.800 -0.006 0.000 2.336 113 G HA2 0.590 4.550 3.960 0.000 0.000 0.286 113 G HA3 0.590 4.550 3.960 0.000 0.000 0.286 113 G C -0.118 174.776 174.900 -0.010 0.000 1.269 113 G CA 0.230 45.325 45.100 -0.008 0.000 0.873 113 G HN 1.999 nan 8.290 nan 0.000 0.494 114 G N -2.473 106.320 108.800 -0.013 0.000 2.465 114 G HA2 0.500 4.460 3.960 0.000 0.000 0.681 114 G HA3 0.500 4.460 3.960 0.000 0.000 0.681 114 G C -1.312 173.574 174.900 -0.022 0.000 1.340 114 G CA 0.153 45.244 45.100 -0.016 0.000 0.884 114 G HN 1.710 nan 8.290 nan 0.000 0.650 115 V N 2.045 121.942 119.914 -0.028 0.000 2.623 115 V HA 0.590 4.710 4.120 0.000 0.000 0.304 115 V C 0.577 176.638 176.094 -0.056 0.000 1.054 115 V CA -0.769 61.508 62.300 -0.039 0.000 0.882 115 V CB 1.694 33.496 31.823 -0.035 0.000 1.002 115 V HN 1.063 nan 8.190 nan 0.000 0.424 116 L N 4.025 125.202 121.223 -0.077 0.000 2.462 116 L HA 0.403 4.743 4.340 0.000 0.000 0.272 116 L C 0.163 176.948 176.870 -0.141 0.000 1.166 116 L CA 0.294 55.060 54.840 -0.123 0.000 0.880 116 L CB 0.926 42.886 42.059 -0.164 0.000 1.142 116 L HN 0.856 nan 8.230 nan 0.000 0.473 117 Q N 3.739 123.454 119.800 -0.143 0.000 2.274 117 Q HA 0.253 4.593 4.340 0.000 0.000 0.260 117 Q C -0.859 175.032 176.000 -0.182 0.000 0.974 117 Q CA -0.644 55.086 55.803 -0.122 0.000 0.876 117 Q CB 1.344 30.041 28.738 -0.068 0.000 1.297 117 Q HN 0.669 nan 8.270 nan 0.000 0.446 118 E N 4.884 125.000 120.200 -0.140 0.000 2.373 118 E HA 0.225 4.575 4.350 0.000 0.000 0.233 118 E C -0.723 175.885 176.600 0.014 0.000 1.035 118 E CA -0.257 56.073 56.400 -0.117 0.000 0.930 118 E CB 0.044 29.684 29.700 -0.100 0.000 1.278 118 E HN 0.551 nan 8.360 nan 0.000 0.452 119 I N 2.496 123.088 120.570 0.037 0.000 2.406 119 I HA 0.049 4.219 4.170 0.000 0.000 0.293 119 I C 0.298 176.532 176.117 0.196 0.000 1.101 119 I CA -0.069 61.266 61.300 0.057 0.000 1.334 119 I CB -0.635 37.381 38.000 0.027 0.000 1.421 119 I HN 0.619 nan 8.210 nan 0.000 0.513 120 H N 4.607 123.731 119.070 0.090 0.000 2.847 120 H HA -0.145 4.411 4.556 0.000 0.000 0.336 120 H C 1.374 176.798 175.328 0.160 0.000 1.221 120 H CA -0.339 55.777 56.048 0.113 0.000 1.162 120 H CB -0.342 29.502 29.762 0.137 0.000 1.566 120 H HN 0.652 nan 8.280 nan 0.000 0.430 121 R N 0.352 121.005 120.500 0.255 0.000 2.119 121 R HA -0.152 4.188 4.340 0.000 0.000 0.246 121 R C 0.227 176.645 176.300 0.197 0.000 1.146 121 R CA 2.101 58.354 56.100 0.255 0.000 0.962 121 R CB -0.114 30.290 30.300 0.174 0.000 0.863 121 R HN 0.454 nan 8.270 nan 0.000 0.442 122 D N -0.665 119.827 120.400 0.152 0.000 2.229 122 D HA 0.443 5.083 4.640 0.000 0.000 0.249 122 D C -0.525 175.864 176.300 0.147 0.000 1.027 122 D CA -0.480 53.612 54.000 0.153 0.000 0.923 122 D CB 1.737 42.663 40.800 0.211 0.000 1.174 122 D HN 0.013 nan 8.370 nan 0.000 0.443 123 I N 0.596 121.294 120.570 0.213 0.000 2.647 123 I HA 0.315 4.485 4.170 0.000 0.000 0.295 123 I C -1.705 174.482 176.117 0.117 0.000 1.078 123 I CA -1.383 60.015 61.300 0.164 0.000 1.048 123 I CB 1.758 39.804 38.000 0.076 0.000 1.239 123 I HN 0.240 nan 8.210 nan 0.000 0.421 124 L N 9.162 130.282 121.223 -0.171 0.000 2.305 124 L HA 0.733 5.073 4.340 0.000 0.000 0.281 124 L C -0.833 175.882 176.870 -0.258 0.000 1.085 124 L CA 0.047 54.524 54.840 -0.605 0.000 0.813 124 L CB 1.032 42.487 42.059 -1.006 0.000 1.157 124 L HN 0.433 nan 8.230 nan 0.000 0.436 125 V N 1.632 121.422 119.914 -0.206 0.000 3.258 125 V HA 0.549 4.669 4.120 0.000 0.000 0.299 125 V C -0.692 175.351 176.094 -0.086 0.000 1.376 125 V CA -1.238 60.996 62.300 -0.110 0.000 1.063 125 V CB 1.458 33.240 31.823 -0.067 0.000 1.103 125 V HN 0.855 nan 8.190 nan 0.000 0.451 126 K N 0.749 121.115 120.400 -0.055 0.000 2.249 126 K HA 0.737 5.057 4.320 0.000 0.000 0.280 126 K C -0.987 175.595 176.600 -0.030 0.000 1.033 126 K CA 0.202 56.467 56.287 -0.036 0.000 0.946 126 K CB 1.579 34.063 32.500 -0.025 0.000 1.005 126 K HN 0.878 nan 8.250 nan 0.000 0.469 127 V N 1.532 121.433 119.914 -0.021 0.000 3.870 127 V HA 0.565 4.685 4.120 0.000 0.000 0.310 127 V C -1.692 174.395 176.094 -0.011 0.000 1.501 127 V CA -0.213 62.076 62.300 -0.019 0.000 0.934 127 V CB 1.831 33.642 31.823 -0.020 0.000 1.140 127 V HN 0.953 nan 8.190 nan 0.000 0.476 128 S N -0.981 114.712 115.700 -0.011 0.000 2.579 128 S HA 0.492 4.962 4.470 0.000 0.000 0.290 128 S C -2.620 171.972 174.600 -0.013 0.000 1.123 128 S CA -0.061 58.132 58.200 -0.011 0.000 0.894 128 S CB 1.646 64.840 63.200 -0.009 0.000 1.095 128 S HN 0.434 nan 8.310 nan 0.000 0.450 129 P HA -0.135 nan 4.420 nan 0.000 0.217 129 P C 0.611 177.904 177.300 -0.011 0.000 1.158 129 P CA 1.505 64.590 63.100 -0.025 0.000 0.887 129 P CB 0.073 31.751 31.700 -0.037 0.000 0.792 130 R N -1.382 119.112 120.500 -0.010 0.000 2.320 130 R HA 0.133 4.473 4.340 0.000 0.000 0.211 130 R C 1.019 177.317 176.300 -0.004 0.000 0.931 130 R CA 0.450 56.546 56.100 -0.006 0.000 1.071 130 R CB -0.935 29.359 30.300 -0.010 0.000 1.025 130 R HN 0.296 nan 8.270 nan 0.000 0.495 131 N N 0.026 118.724 118.700 -0.004 0.000 2.171 131 N HA 0.153 4.893 4.740 0.000 0.000 0.212 131 N C -0.066 175.443 175.510 -0.002 0.000 1.184 131 N CA -0.127 52.919 53.050 -0.007 0.000 0.888 131 N CB 0.921 39.400 38.487 -0.014 0.000 1.038 131 N HN 0.146 nan 8.380 nan 0.000 0.517 132 I N 4.092 124.671 120.570 0.016 0.000 2.996 132 I HA -0.088 4.082 4.170 0.000 0.000 0.310 132 I C -1.262 174.886 176.117 0.052 0.000 1.225 132 I CA -0.338 60.984 61.300 0.037 0.000 1.442 132 I CB 0.124 38.175 38.000 0.085 0.000 1.334 132 I HN -0.010 nan 8.210 nan 0.000 0.550 133 P HA 0.144 nan 4.420 nan 0.000 0.328 133 P C 0.078 177.454 177.300 0.127 0.000 1.305 133 P CA -0.269 62.827 63.100 -0.006 0.000 0.745 133 P CB 0.904 32.537 31.700 -0.112 0.000 1.462 134 E N -1.590 118.650 120.200 0.068 0.000 2.490 134 E HA 0.160 4.510 4.350 0.000 0.000 0.209 134 E C -0.242 176.611 176.600 0.421 0.000 0.971 134 E CA -0.116 56.493 56.400 0.349 0.000 0.988 134 E CB 0.467 30.407 29.700 0.399 0.000 1.029 134 E HN 0.471 nan 8.360 nan 0.000 0.496 135 F N -1.818 118.125 119.950 -0.011 0.000 3.397 135 F HA 0.296 4.823 4.527 0.000 0.000 0.302 135 F C -2.095 173.663 175.800 -0.071 0.000 0.851 135 F CA -1.247 56.710 58.000 -0.072 0.000 0.820 135 F CB 0.559 39.499 39.000 -0.100 0.000 2.885 135 F HN -0.277 nan 8.300 nan 0.000 0.329 136 I N 1.629 122.186 120.570 -0.023 0.000 2.534 136 I HA 0.230 4.400 4.170 0.000 0.000 0.286 136 I C -1.033 175.176 176.117 0.153 0.000 1.094 136 I CA -0.681 60.529 61.300 -0.150 0.000 1.055 136 I CB 1.964 39.907 38.000 -0.095 0.000 1.225 136 I HN 0.501 nan 8.210 nan 0.000 0.435 137 E N 5.716 126.010 120.200 0.157 0.000 2.493 137 E HA 0.092 4.442 4.350 0.000 0.000 0.255 137 E C -0.685 175.932 176.600 0.029 0.000 0.999 137 E CA 0.082 56.630 56.400 0.247 0.000 0.934 137 E CB 1.246 31.077 29.700 0.217 0.000 0.940 137 E HN 0.231 nan 8.360 nan 0.000 0.473 138 V N 3.958 123.830 119.914 -0.070 0.000 2.266 138 V HA -0.002 4.118 4.120 0.000 0.000 0.271 138 V C -0.343 175.781 176.094 0.049 0.000 1.032 138 V CA -0.933 61.324 62.300 -0.072 0.000 0.806 138 V CB 0.609 32.255 31.823 -0.296 0.000 1.052 138 V HN 0.584 nan 8.190 nan 0.000 0.449 139 D N 2.867 123.301 120.400 0.057 0.000 2.662 139 D HA -0.026 4.614 4.640 0.000 0.000 0.228 139 D C 0.361 176.713 176.300 0.086 0.000 1.093 139 D CA -0.101 53.941 54.000 0.069 0.000 1.075 139 D CB 0.977 41.804 40.800 0.046 0.000 1.122 139 D HN 0.282 nan 8.370 nan 0.000 0.475 140 V N 1.740 121.736 119.914 0.137 0.000 2.287 140 V HA 0.163 4.283 4.120 0.000 0.000 0.246 140 V C 0.819 176.958 176.094 0.075 0.000 1.165 140 V CA 0.613 62.986 62.300 0.122 0.000 1.088 140 V CB -0.201 31.731 31.823 0.182 0.000 1.242 140 V HN 0.559 nan 8.190 nan 0.000 0.497 141 S N 3.182 118.912 115.700 0.050 0.000 2.663 141 S HA 0.257 4.727 4.470 0.000 0.000 0.247 141 S C 1.374 175.987 174.600 0.022 0.000 1.074 141 S CA 0.471 58.691 58.200 0.034 0.000 0.955 141 S CB 0.408 63.627 63.200 0.031 0.000 0.901 141 S HN 0.902 nan 8.310 nan 0.000 0.505 142 G N 2.572 111.385 108.800 0.021 0.000 3.709 142 G HA2 0.507 4.467 3.960 0.000 0.000 0.272 142 G HA3 0.507 4.467 3.960 0.000 0.000 0.272 142 G C -0.402 174.503 174.900 0.009 0.000 1.259 142 G CA -0.176 44.931 45.100 0.012 0.000 1.512 142 G HN 0.315 nan 8.290 nan 0.000 0.625 143 L N 0.871 122.100 121.223 0.010 0.000 2.342 143 L HA 0.474 4.814 4.340 0.000 0.000 0.276 143 L C 0.106 176.977 176.870 0.002 0.000 0.997 143 L CA -0.649 54.195 54.840 0.006 0.000 0.838 143 L CB 1.337 43.401 42.059 0.009 0.000 1.224 143 L HN 0.130 nan 8.230 nan 0.000 0.416 144 E N 2.281 122.481 120.200 0.000 0.000 4.019 144 E HA 0.334 4.684 4.350 0.000 0.000 0.547 144 E C 1.335 177.933 176.600 -0.003 0.000 0.480 144 E CA -0.046 56.353 56.400 -0.001 0.000 3.361 144 E CB 0.764 30.464 29.700 -0.000 0.000 2.299 144 E HN 0.486 nan 8.360 nan 0.000 0.456 145 I N -0.659 119.910 120.570 -0.002 0.000 2.729 145 I HA 0.129 4.299 4.170 0.000 0.000 0.256 145 I C 1.521 177.638 176.117 -0.000 0.000 1.115 145 I CA 0.601 61.899 61.300 -0.003 0.000 1.446 145 I CB -0.053 37.945 38.000 -0.003 0.000 1.176 145 I HN 0.237 nan 8.210 nan 0.000 0.446 146 G N 1.868 110.668 108.800 0.001 0.000 3.717 146 G HA2 0.152 4.112 3.960 0.000 0.000 0.258 146 G HA3 0.152 4.112 3.960 0.000 0.000 0.258 146 G C -0.658 174.244 174.900 0.003 0.000 1.088 146 G CA 0.172 45.274 45.100 0.003 0.000 1.737 146 G HN 0.191 nan 8.290 nan 0.000 0.648 147 D N 0.282 120.683 120.400 0.002 0.000 2.419 147 D HA 0.256 4.896 4.640 0.000 0.000 0.219 147 D C -0.775 175.523 176.300 -0.003 0.000 1.349 147 D CA -0.218 53.780 54.000 -0.002 0.000 0.964 147 D CB 1.206 42.005 40.800 -0.003 0.000 1.463 147 D HN 0.250 nan 8.370 nan 0.000 0.573 148 S N 2.761 118.457 115.700 -0.006 0.000 2.546 148 S HA 0.786 5.256 4.470 0.000 0.000 0.274 148 S C -0.253 174.320 174.600 -0.045 0.000 1.121 148 S CA -0.973 57.226 58.200 -0.003 0.000 0.887 148 S CB 2.076 65.290 63.200 0.024 0.000 1.094 148 S HN 0.394 nan 8.310 nan 0.000 0.474 149 L N 0.329 121.531 121.223 -0.034 0.000 2.332 149 L HA 0.876 5.216 4.340 0.000 0.000 0.269 149 L C 0.245 177.099 176.870 -0.027 0.000 1.016 149 L CA -0.801 53.972 54.840 -0.112 0.000 0.809 149 L CB 0.050 42.088 42.059 -0.035 0.000 1.280 149 L HN 1.229 nan 8.230 nan 0.000 0.447 150 H N -0.999 118.111 119.070 0.065 0.000 1.947 150 H HA 0.445 5.001 4.556 0.000 0.000 0.128 150 H C 0.674 176.040 175.328 0.063 0.000 0.904 150 H CA 0.154 56.245 56.048 0.071 0.000 0.522 150 H CB -0.867 28.930 29.762 0.058 0.000 0.446 150 H HN 0.827 nan 8.280 nan 0.000 0.300 151 A N 1.006 124.045 122.820 0.365 0.000 2.290 151 A HA 0.129 4.449 4.320 0.000 0.000 0.308 151 A C 1.690 179.359 177.584 0.143 0.000 1.246 151 A CA 0.816 53.032 52.037 0.298 0.000 0.929 151 A CB -0.764 18.310 19.000 0.124 0.000 1.125 151 A HN 0.665 nan 8.150 nan 0.000 0.522 152 S N -0.033 115.725 115.700 0.096 0.000 2.954 152 S HA 0.005 4.475 4.470 0.000 0.000 0.234 152 S C 0.029 174.652 174.600 0.038 0.000 0.978 152 S CA 0.384 58.618 58.200 0.058 0.000 1.045 152 S CB -1.227 61.999 63.200 0.043 0.000 0.807 152 S HN 0.494 nan 8.310 nan 0.000 0.508 153 D N 2.394 122.817 120.400 0.039 0.000 2.826 153 D HA 0.073 4.713 4.640 0.000 0.000 0.247 153 D C -0.215 176.097 176.300 0.020 0.000 1.238 153 D CA 0.248 54.261 54.000 0.021 0.000 0.894 153 D CB -0.199 40.608 40.800 0.011 0.000 1.100 153 D HN 0.474 nan 8.370 nan 0.000 0.453 154 L N 0.147 121.379 121.223 0.015 0.000 2.372 154 L HA 0.320 4.660 4.340 0.000 0.000 0.274 154 L C 0.293 177.154 176.870 -0.014 0.000 0.988 154 L CA -0.965 53.876 54.840 0.000 0.000 0.833 154 L CB 2.192 44.254 42.059 0.006 0.000 1.236 154 L HN -0.242 nan 8.230 nan 0.000 0.410 155 K N 3.930 124.315 120.400 -0.026 0.000 2.412 155 K HA 0.467 4.787 4.320 0.000 0.000 0.281 155 K C -1.104 175.464 176.600 -0.053 0.000 1.027 155 K CA -0.156 56.110 56.287 -0.035 0.000 0.989 155 K CB 0.610 33.086 32.500 -0.040 0.000 0.935 155 K HN 0.554 nan 8.250 nan 0.000 0.475 156 L N 7.599 128.795 121.223 -0.045 0.000 2.372 156 L HA 0.418 4.758 4.340 0.000 0.000 0.274 156 L C -1.736 175.103 176.870 -0.052 0.000 0.988 156 L CA -1.994 52.814 54.840 -0.052 0.000 0.833 156 L CB 1.511 43.548 42.059 -0.037 0.000 1.236 156 L HN 0.697 nan 8.230 nan 0.000 0.410 157 P HA 0.320 nan 4.420 nan 0.000 0.293 157 P C -2.680 174.594 177.300 -0.044 0.000 1.298 157 P CA -1.500 61.564 63.100 -0.059 0.000 0.757 157 P CB -0.494 31.159 31.700 -0.079 0.000 1.262 158 P HA 0.094 nan 4.420 nan 0.000 0.267 158 P C 0.991 178.274 177.300 -0.028 0.000 1.209 158 P CA 1.475 64.558 63.100 -0.029 0.000 0.763 158 P CB -0.265 31.420 31.700 -0.025 0.000 0.816 159 G N 2.228 111.014 108.800 -0.023 0.000 2.328 159 G HA2 -0.278 3.682 3.960 0.000 0.000 0.256 159 G HA3 -0.278 3.682 3.960 0.000 0.000 0.256 159 G C 0.292 175.176 174.900 -0.026 0.000 1.014 159 G CA 0.048 45.136 45.100 -0.021 0.000 0.620 159 G HN 0.514 nan 8.290 nan 0.000 0.530 160 V N 2.336 122.230 119.914 -0.033 0.000 2.302 160 V HA 0.415 4.535 4.120 0.000 0.000 0.244 160 V C 0.729 176.802 176.094 -0.035 0.000 1.160 160 V CA 0.702 62.978 62.300 -0.040 0.000 1.127 160 V CB 0.633 32.422 31.823 -0.056 0.000 1.253 160 V HN 0.528 nan 8.190 nan 0.000 0.496 161 E N 2.614 122.795 120.200 -0.030 0.000 2.284 161 E HA 0.638 4.988 4.350 0.000 0.000 0.255 161 E C -0.520 176.064 176.600 -0.027 0.000 1.052 161 E CA -0.845 55.540 56.400 -0.024 0.000 0.904 161 E CB 1.335 31.023 29.700 -0.020 0.000 1.217 161 E HN 0.402 nan 8.360 nan 0.000 0.438 162 L N 0.242 121.453 121.223 -0.020 0.000 2.891 162 L HA 0.677 5.017 4.340 0.000 0.000 0.216 162 L C -0.403 176.450 176.870 -0.029 0.000 1.209 162 L CA -0.430 54.398 54.840 -0.018 0.000 0.957 162 L CB 0.593 42.651 42.059 -0.002 0.000 1.876 162 L HN 0.592 nan 8.230 nan 0.000 0.532 163 A N -1.047 121.759 122.820 -0.024 0.000 1.884 163 A HA 0.552 4.872 4.320 0.000 0.000 0.243 163 A C -0.441 177.135 177.584 -0.012 0.000 1.556 163 A CA 0.047 52.063 52.037 -0.035 0.000 1.608 163 A CB -0.431 18.520 19.000 -0.081 0.000 0.932 163 A HN 0.392 nan 8.150 nan 0.000 0.813 164 V N -0.403 119.520 119.914 0.014 0.000 5.995 164 V HA 0.201 4.321 4.120 0.000 0.000 0.094 164 V C 1.518 177.632 176.094 0.033 0.000 1.062 164 V CA 1.171 63.497 62.300 0.042 0.000 0.844 164 V CB 0.660 32.528 31.823 0.074 0.000 1.188 164 V HN 0.730 nan 8.190 nan 0.000 0.695 165 S N -0.732 114.987 115.700 0.032 0.000 3.792 165 S HA 0.312 4.782 4.470 0.000 0.000 0.229 165 S C -2.260 172.354 174.600 0.023 0.000 1.118 165 S CA 0.197 58.409 58.200 0.020 0.000 0.877 165 S CB -0.340 62.863 63.200 0.005 0.000 1.077 165 S HN 0.534 nan 8.310 nan 0.000 0.546 166 P HA 0.542 nan 4.420 nan 0.000 0.283 166 P C -0.080 177.268 177.300 0.080 0.000 1.412 166 P CA 0.198 63.333 63.100 0.059 0.000 0.912 166 P CB 0.843 32.580 31.700 0.061 0.000 1.132 167 E N 1.785 122.010 120.200 0.042 0.000 2.521 167 E HA -0.036 4.314 4.350 0.000 0.000 0.199 167 E C -0.007 176.462 176.600 -0.219 0.000 1.006 167 E CA 0.143 56.495 56.400 -0.079 0.000 1.630 167 E CB 0.035 29.655 29.700 -0.133 0.000 2.725 167 E HN 0.321 nan 8.360 nan 0.000 1.103 168 E N 3.217 123.378 120.200 -0.065 0.000 2.757 168 E HA -0.016 4.334 4.350 0.000 0.000 0.238 168 E C -0.324 176.301 176.600 0.041 0.000 1.057 168 E CA 0.497 56.881 56.400 -0.027 0.000 0.952 168 E CB -0.211 29.524 29.700 0.059 0.000 0.934 168 E HN 0.207 nan 8.360 nan 0.000 0.518 169 T N 2.975 117.534 114.554 0.007 0.000 2.867 169 T HA -0.056 4.294 4.350 0.000 0.000 0.290 169 T C 1.540 176.330 174.700 0.150 0.000 1.025 169 T CA 0.570 62.753 62.100 0.139 0.000 1.146 169 T CB 0.107 69.035 68.868 0.099 0.000 1.024 169 T HN 0.553 nan 8.240 nan 0.000 0.519 170 I N -0.010 120.685 120.570 0.208 0.000 3.081 170 I HA 0.592 4.762 4.170 0.000 0.000 0.274 170 I C 0.948 177.186 176.117 0.202 0.000 1.178 170 I CA -0.289 61.153 61.300 0.236 0.000 1.460 170 I CB -0.297 37.864 38.000 0.269 0.000 1.137 170 I HN 0.868 nan 8.210 nan 0.000 0.443 171 A N 0.760 123.670 122.820 0.150 0.000 2.567 171 A HA 0.860 5.180 4.320 0.000 0.000 0.291 171 A C -1.570 176.041 177.584 0.046 0.000 1.048 171 A CA 0.012 52.086 52.037 0.061 0.000 0.661 171 A CB 0.916 19.918 19.000 0.003 0.000 1.288 171 A HN 0.545 nan 8.150 nan 0.000 0.424 172 A N -0.422 122.398 122.820 0.001 0.000 2.610 172 A HA 0.719 5.039 4.320 0.000 0.000 0.291 172 A C -1.585 175.986 177.584 -0.021 0.000 1.086 172 A CA -0.330 51.710 52.037 0.004 0.000 0.677 172 A CB 1.120 20.133 19.000 0.020 0.000 1.278 172 A HN 1.755 nan 8.150 nan 0.000 0.414 173 V N 2.198 122.103 119.914 -0.015 0.000 2.311 173 V HA 0.467 4.587 4.120 0.000 0.000 0.275 173 V C 0.554 176.640 176.094 -0.015 0.000 1.022 173 V CA -0.232 62.055 62.300 -0.022 0.000 0.830 173 V CB 0.761 32.573 31.823 -0.018 0.000 1.012 173 V HN 1.207 nan 8.190 nan 0.000 0.452 174 V N 5.423 125.326 119.914 -0.018 0.000 3.214 174 V HA 0.672 4.792 4.120 0.000 0.000 0.306 174 V C -1.783 174.304 176.094 -0.013 0.000 1.078 174 V CA -1.489 60.803 62.300 -0.013 0.000 1.077 174 V CB 1.250 33.064 31.823 -0.015 0.000 1.121 174 V HN 0.665 nan 8.190 nan 0.000 0.468 175 P HA 0.334 nan 4.420 nan 0.000 0.293 175 P C -2.442 174.852 177.300 -0.010 0.000 1.298 175 P CA -0.962 62.133 63.100 -0.009 0.000 0.757 175 P CB -0.457 31.240 31.700 -0.006 0.000 1.262 176 P HA 0.115 nan 4.420 nan 0.000 0.335 176 P C -0.334 176.961 177.300 -0.009 0.000 1.379 176 P CA 0.613 63.707 63.100 -0.009 0.000 0.794 176 P CB 0.336 32.032 31.700 -0.008 0.000 1.849 177 E N -1.050 119.146 120.200 -0.008 0.000 2.291 177 E HA 0.561 4.911 4.350 0.000 0.000 0.276 177 E C -0.740 175.856 176.600 -0.006 0.000 0.896 177 E CA -0.028 56.367 56.400 -0.007 0.000 0.774 177 E CB 1.580 31.276 29.700 -0.008 0.000 1.227 177 E HN 0.681 nan 8.360 nan 0.000 0.413 178 D N 0.000 120.397 120.400 -0.005 0.000 6.856 178 D HA 0.000 4.640 4.640 0.000 0.000 0.175 178 D CA 0.000 nan 54.000 nan 0.000 0.868 178 D CB 0.000 nan 40.800 nan 0.000 0.688 178 D HN 0.000 nan 8.370 nan 0.000 0.683