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 3bhv_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMENFQKVE KIGEGTYGVV YKARNKLTGE VVALKKIRLD XXTEGVPSTA DATA SEQUENCE IREISLLKEL NHPNIVKLLD VIHTENKLYL VFEFLHQDLK KFMDASALTG DATA SEQUENCE IPLPLIKSYL FQLLQGLAFC HSHRVLHRDL KPQNLLINTE GAIKLADFGL DATA SEQUENCE ARAFGVPVRT YXHEVVTLWY RAPEILLGCK YYSTAVDIWS LGCIFAEMVT DATA SEQUENCE RRALFPGDSE IDQLFRIFRT LGTPDEVVWP GVTSMPDYKP SFPKWARQDF DATA SEQUENCE SKVVPPLDED GRSLLSQMLH YDPNKRISAK AALAHPFFQD VTKPVPHLRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.974 3.960 0.023 0.000 0.244 -1 G C 0.000 174.929 174.900 0.049 0.000 0.946 -1 G CA 0.000 45.131 45.100 0.051 0.000 0.502 0 S N -1.993 113.733 115.700 0.044 0.000 3.893 0 S HA 0.401 4.885 4.470 0.023 0.000 0.270 0 S C 0.322 174.938 174.600 0.027 0.000 1.141 0 S CA 0.796 59.013 58.200 0.029 0.000 1.646 0 S CB -0.232 63.077 63.200 0.181 0.000 1.605 0 S HN 1.844 nan 8.310 nan 0.000 0.297 1 M N 0.455 120.129 119.600 0.123 0.000 2.866 1 M HA -0.151 4.342 4.480 0.023 0.000 0.168 1 M C 0.842 177.135 176.300 -0.013 0.000 0.666 1 M CA 2.387 57.716 55.300 0.048 0.000 0.642 1 M CB -1.707 30.843 32.600 -0.082 0.000 2.332 1 M HN 0.615 nan 8.290 nan 0.000 0.269 2 E N 0.195 120.358 120.200 -0.062 0.000 2.268 2 E HA 0.020 4.384 4.350 0.023 0.000 0.195 2 E C 1.072 177.593 176.600 -0.132 0.000 0.995 2 E CA 1.065 57.416 56.400 -0.081 0.000 0.836 2 E CB -0.234 29.424 29.700 -0.070 0.000 0.763 2 E HN 0.630 nan 8.360 nan 0.000 0.491 3 N N -0.320 118.235 118.700 -0.243 0.000 2.412 3 N HA -0.023 4.731 4.740 0.023 0.000 0.184 3 N C -0.451 174.765 175.510 -0.490 0.000 1.101 3 N CA 0.183 53.003 53.050 -0.382 0.000 0.881 3 N CB 0.081 38.272 38.487 -0.493 0.000 0.969 3 N HN -0.009 nan 8.380 nan 0.000 0.459 4 F N 0.801 120.689 119.950 -0.104 0.000 2.408 4 F HA 0.319 4.860 4.527 0.024 0.000 0.344 4 F C 0.699 176.432 175.800 -0.112 0.000 1.112 4 F CA -1.035 56.898 58.000 -0.111 0.000 1.096 4 F CB 1.253 40.167 39.000 -0.142 0.000 1.129 4 F HN -0.239 nan 8.300 nan 0.000 0.486 5 Q N 4.197 124.057 119.800 0.101 0.000 2.400 5 Q HA 0.272 4.626 4.340 0.023 0.000 0.255 5 Q C -0.839 175.169 176.000 0.012 0.000 1.008 5 Q CA -0.500 55.316 55.803 0.023 0.000 0.841 5 Q CB 0.713 29.450 28.738 -0.001 0.000 1.220 5 Q HN 0.468 nan 8.270 nan 0.000 0.474 6 K N 2.488 122.870 120.400 -0.031 0.000 2.448 6 K HA 0.080 4.414 4.320 0.023 0.000 0.278 6 K C 0.123 176.719 176.600 -0.006 0.000 1.009 6 K CA -0.086 56.174 56.287 -0.046 0.000 0.995 6 K CB 1.035 33.443 32.500 -0.153 0.000 0.917 6 K HN 0.483 nan 8.250 nan 0.000 0.481 7 V N 1.854 121.778 119.914 0.017 0.000 2.743 7 V HA -0.028 4.106 4.120 0.023 0.000 0.237 7 V C 0.291 176.414 176.094 0.048 0.000 1.113 7 V CA 0.895 63.199 62.300 0.006 0.000 1.141 7 V CB -0.042 31.751 31.823 -0.051 0.000 0.873 7 V HN 0.966 nan 8.190 nan 0.000 0.486 8 E N -0.514 119.744 120.200 0.097 0.000 2.416 8 E HA 0.322 4.686 4.350 0.023 0.000 0.280 8 E C -1.128 175.588 176.600 0.192 0.000 1.055 8 E CA -0.902 55.575 56.400 0.128 0.000 0.825 8 E CB 1.742 31.485 29.700 0.072 0.000 1.312 8 E HN -0.005 nan 8.360 nan 0.000 0.452 9 K N 2.247 122.729 120.400 0.136 0.000 2.322 9 K HA 0.195 4.529 4.320 0.023 0.000 0.283 9 K C 0.653 177.243 176.600 -0.018 0.000 1.042 9 K CA -0.091 56.166 56.287 -0.050 0.000 0.958 9 K CB 0.498 32.929 32.500 -0.115 0.000 0.984 9 K HN 0.697 nan 8.250 nan 0.000 0.473 10 I N 0.170 120.723 120.570 -0.030 0.000 4.181 10 I HA 0.372 4.556 4.170 0.023 0.000 0.331 10 I C 0.608 176.726 176.117 0.003 0.000 1.312 10 I CA -0.437 60.881 61.300 0.030 0.000 1.146 10 I CB 0.866 38.938 38.000 0.120 0.000 1.074 10 I HN 0.606 nan 8.210 nan 0.000 0.402 11 G N 0.800 109.576 108.800 -0.040 0.000 2.428 11 G HA2 0.532 4.505 3.960 0.023 0.000 0.304 11 G HA3 0.532 4.505 3.960 0.023 0.000 0.304 11 G C -1.987 172.902 174.900 -0.018 0.000 1.303 11 G CA -0.367 44.725 45.100 -0.012 0.000 0.825 11 G HN 0.236 nan 8.290 nan 0.000 0.484 12 E N -1.634 118.578 120.200 0.020 0.000 2.393 12 E HA 0.520 4.884 4.350 0.023 0.000 0.282 12 E C -0.857 175.653 176.600 -0.149 0.000 1.096 12 E CA -0.142 56.207 56.400 -0.085 0.000 0.866 12 E CB 1.801 31.430 29.700 -0.119 0.000 1.232 12 E HN 2.109 nan 8.360 nan 0.000 0.431 13 G N 0.403 108.894 108.800 -0.516 0.000 2.352 13 G HA2 0.415 4.389 3.960 0.023 0.000 0.303 13 G HA3 0.415 4.389 3.960 0.023 0.000 0.303 13 G C -0.126 174.324 174.900 -0.751 0.000 1.593 13 G CA 0.336 44.886 45.100 -0.917 0.000 0.963 13 G HN 0.707 nan 8.290 nan 0.000 0.685 14 T N -1.318 112.785 114.554 -0.752 0.000 5.072 14 T HA -0.166 4.198 4.350 0.023 0.000 0.269 14 T C 1.451 176.003 174.700 -0.245 0.000 2.131 14 T CA 0.970 62.849 62.100 -0.368 0.000 3.484 14 T CB -1.155 67.555 68.868 -0.264 0.000 0.454 14 T HN 1.460 nan 8.240 nan 0.000 0.803 15 Y N 2.724 123.015 120.300 -0.015 0.000 2.269 15 Y HA 0.607 5.170 4.550 0.021 0.000 0.294 15 Y C 1.389 177.282 175.900 -0.012 0.000 1.120 15 Y CA 0.699 58.794 58.100 -0.007 0.000 1.159 15 Y CB -0.517 37.945 38.460 0.004 0.000 1.024 15 Y HN 0.735 nan 8.280 nan 0.000 0.532 16 G N -0.319 108.431 108.800 -0.083 0.000 2.398 16 G HA2 0.327 4.301 3.960 0.023 0.000 0.251 16 G HA3 0.327 4.301 3.960 0.023 0.000 0.251 16 G C -1.909 173.034 174.900 0.071 0.000 1.277 16 G CA -0.436 44.701 45.100 0.063 0.000 0.927 16 G HN 0.151 nan 8.290 nan 0.000 0.477 17 V N -0.015 119.974 119.914 0.125 0.000 2.630 17 V HA 0.718 4.852 4.120 0.023 0.000 0.305 17 V C 0.064 176.185 176.094 0.046 0.000 1.046 17 V CA -0.740 61.568 62.300 0.013 0.000 0.934 17 V CB 1.554 33.300 31.823 -0.130 0.000 1.003 17 V HN 0.760 nan 8.190 nan 0.000 0.451 18 V N 3.754 123.632 119.914 -0.060 0.000 2.448 18 V HA 0.500 4.634 4.120 0.023 0.000 0.295 18 V C -1.103 174.891 176.094 -0.167 0.000 1.025 18 V CA -0.678 61.619 62.300 -0.004 0.000 0.859 18 V CB 1.247 33.109 31.823 0.066 0.000 0.988 18 V HN 0.741 nan 8.190 nan 0.000 0.431 19 Y N 2.311 122.682 120.300 0.118 0.000 2.409 19 Y HA 0.485 5.049 4.550 0.023 0.000 0.339 19 Y C 0.379 176.325 175.900 0.077 0.000 1.033 19 Y CA -0.827 57.325 58.100 0.087 0.000 1.094 19 Y CB 1.619 40.121 38.460 0.069 0.000 1.210 19 Y HN 0.495 nan 8.280 nan 0.000 0.456 20 K N 2.154 122.674 120.400 0.201 0.000 2.322 20 K HA 0.713 5.047 4.320 0.023 0.000 0.283 20 K C -0.938 175.664 176.600 0.003 0.000 1.042 20 K CA -0.076 56.234 56.287 0.039 0.000 0.958 20 K CB 0.346 32.767 32.500 -0.133 0.000 0.984 20 K HN 0.846 nan 8.250 nan 0.000 0.473 21 A N 3.955 126.740 122.820 -0.058 0.000 2.566 21 A HA 0.628 4.962 4.320 0.023 0.000 0.292 21 A C -1.504 176.075 177.584 -0.009 0.000 1.112 21 A CA -1.088 50.932 52.037 -0.028 0.000 0.707 21 A CB 1.293 20.269 19.000 -0.041 0.000 1.302 21 A HN 0.919 nan 8.150 nan 0.000 0.409 22 R N 1.167 121.710 120.500 0.071 0.000 2.621 22 R HA 0.495 4.848 4.340 0.023 0.000 0.292 22 R C -1.069 175.341 176.300 0.184 0.000 0.969 22 R CA -0.784 55.376 56.100 0.099 0.000 0.887 22 R CB 1.318 31.620 30.300 0.004 0.000 1.180 22 R HN 0.580 nan 8.270 nan 0.000 0.450 23 N N 2.595 121.395 118.700 0.167 0.000 2.438 23 N HA -0.016 4.738 4.740 0.023 0.000 0.267 23 N C 0.008 175.461 175.510 -0.095 0.000 1.222 23 N CA 0.279 53.283 53.050 -0.076 0.000 0.930 23 N CB 1.056 39.503 38.487 -0.066 0.000 1.083 23 N HN 0.679 nan 8.380 nan 0.000 0.476 24 K N 3.088 123.399 120.400 -0.148 0.000 2.211 24 K HA -0.020 4.314 4.320 0.023 0.000 0.203 24 K C 1.409 177.954 176.600 -0.093 0.000 1.050 24 K CA 0.934 57.161 56.287 -0.100 0.000 0.945 24 K CB 0.302 32.740 32.500 -0.103 0.000 0.732 24 K HN 0.534 nan 8.250 nan 0.000 0.451 25 L N -0.211 120.939 121.223 -0.122 0.000 2.221 25 L HA -0.047 4.307 4.340 0.023 0.000 0.202 25 L C 2.409 179.238 176.870 -0.070 0.000 1.074 25 L CA 1.120 55.903 54.840 -0.095 0.000 0.795 25 L CB -0.209 41.782 42.059 -0.113 0.000 0.960 25 L HN 0.229 nan 8.230 nan 0.000 0.458 26 T N -4.504 110.008 114.554 -0.070 0.000 3.037 26 T HA 0.253 4.617 4.350 0.023 0.000 0.251 26 T C 1.516 176.205 174.700 -0.019 0.000 1.079 26 T CA 0.582 62.658 62.100 -0.039 0.000 1.067 26 T CB 0.805 69.654 68.868 -0.031 0.000 0.948 26 T HN 0.406 nan 8.240 nan 0.000 0.496 27 G N 1.473 110.260 108.800 -0.021 0.000 2.225 27 G HA2 -0.287 3.687 3.960 0.023 0.000 0.254 27 G HA3 -0.287 3.687 3.960 0.023 0.000 0.254 27 G C -0.091 174.817 174.900 0.014 0.000 0.988 27 G CA 0.227 45.324 45.100 -0.006 0.000 0.625 27 G HN 0.867 nan 8.290 nan 0.000 0.527 28 E N 0.897 121.116 120.200 0.031 0.000 2.417 28 E HA 0.354 4.718 4.350 0.023 0.000 0.261 28 E C 0.481 177.127 176.600 0.077 0.000 1.000 28 E CA -0.302 56.135 56.400 0.062 0.000 0.919 28 E CB 0.530 30.278 29.700 0.081 0.000 0.955 28 E HN 0.200 nan 8.360 nan 0.000 0.455 29 V N 5.876 125.820 119.914 0.049 0.000 2.530 29 V HA 0.237 4.371 4.120 0.023 0.000 0.282 29 V C 0.360 176.499 176.094 0.074 0.000 1.048 29 V CA -0.254 62.039 62.300 -0.011 0.000 0.997 29 V CB 0.817 32.558 31.823 -0.137 0.000 0.987 29 V HN 0.563 nan 8.190 nan 0.000 0.477 30 V N 1.899 121.842 119.914 0.049 0.000 3.102 30 V HA 1.025 5.159 4.120 0.023 0.000 0.312 30 V C -0.194 175.994 176.094 0.156 0.000 1.135 30 V CA -1.033 61.335 62.300 0.113 0.000 1.022 30 V CB 2.008 33.832 31.823 0.002 0.000 1.056 30 V HN 1.035 nan 8.190 nan 0.000 0.436 31 A N 2.826 125.787 122.820 0.235 0.000 2.288 31 A HA 0.847 5.180 4.320 0.023 0.000 0.320 31 A C -0.614 177.083 177.584 0.188 0.000 1.217 31 A CA -0.649 51.540 52.037 0.254 0.000 0.840 31 A CB 0.567 19.729 19.000 0.269 0.000 1.179 31 A HN 0.960 nan 8.150 nan 0.000 0.504 32 L N 2.678 123.999 121.223 0.164 0.000 2.276 32 L HA 0.414 4.768 4.340 0.023 0.000 0.286 32 L C 0.299 177.348 176.870 0.298 0.000 1.024 32 L CA -0.374 54.565 54.840 0.165 0.000 0.826 32 L CB 1.395 43.521 42.059 0.111 0.000 1.211 32 L HN 0.753 nan 8.230 nan 0.000 0.422 33 K N 4.858 125.420 120.400 0.270 0.000 2.281 33 K HA 0.236 4.570 4.320 0.023 0.000 0.272 33 K C -0.427 176.268 176.600 0.159 0.000 1.048 33 K CA -0.595 55.825 56.287 0.222 0.000 0.898 33 K CB 0.857 33.493 32.500 0.226 0.000 1.128 33 K HN 0.363 nan 8.250 nan 0.000 0.460 34 K N 5.820 126.309 120.400 0.150 0.000 2.258 34 K HA 0.233 4.567 4.320 0.023 0.000 0.284 34 K C -0.877 175.707 176.600 -0.027 0.000 1.051 34 K CA -0.431 55.797 56.287 -0.097 0.000 0.923 34 K CB 0.611 33.098 32.500 -0.021 0.000 1.046 34 K HN 0.617 nan 8.250 nan 0.000 0.474 35 I N 5.283 125.787 120.570 -0.110 0.000 2.354 35 I HA 0.270 4.454 4.170 0.023 0.000 0.286 35 I C 0.247 176.331 176.117 -0.055 0.000 1.007 35 I CA -0.712 60.578 61.300 -0.017 0.000 1.167 35 I CB 1.448 39.456 38.000 0.014 0.000 1.320 35 I HN 0.449 nan 8.210 nan 0.000 0.458 36 R N 6.140 126.627 120.500 -0.022 0.000 2.489 36 R HA 0.389 4.743 4.340 0.023 0.000 0.287 36 R C -0.833 175.465 176.300 -0.004 0.000 1.053 36 R CA -0.139 55.948 56.100 -0.021 0.000 1.036 36 R CB 0.567 30.863 30.300 -0.007 0.000 0.966 36 R HN 0.512 nan 8.270 nan 0.000 0.432 37 L N 3.875 125.098 121.223 -0.001 0.000 2.309 37 L HA 0.263 4.617 4.340 0.023 0.000 0.282 37 L C -0.101 176.779 176.870 0.015 0.000 1.036 37 L CA -0.506 54.343 54.840 0.015 0.000 0.806 37 L CB 1.314 43.390 42.059 0.028 0.000 1.220 37 L HN 0.735 nan 8.230 nan 0.000 0.429 42 E N 1.403 121.613 120.200 0.017 0.000 2.501 42 E HA 0.464 4.828 4.350 0.023 0.000 0.201 42 E C 1.465 178.079 176.600 0.023 0.000 1.016 42 E CA 0.735 57.146 56.400 0.019 0.000 0.920 42 E CB 0.758 30.470 29.700 0.019 0.000 1.023 42 E HN 0.898 nan 8.360 nan 0.000 0.474 43 G N 0.903 109.717 108.800 0.025 0.000 2.525 43 G HA2 -0.314 3.659 3.960 0.023 0.000 0.248 43 G HA3 -0.314 3.659 3.960 0.023 0.000 0.248 43 G C -0.028 174.893 174.900 0.035 0.000 1.238 43 G CA -0.230 44.889 45.100 0.032 0.000 0.926 43 G HN 0.085 nan 8.290 nan 0.000 0.574 44 V N 3.592 123.531 119.914 0.041 0.000 2.479 44 V HA 0.352 4.486 4.120 0.023 0.000 0.281 44 V C -1.268 174.842 176.094 0.026 0.000 1.031 44 V CA -0.237 62.084 62.300 0.035 0.000 1.038 44 V CB 0.759 32.601 31.823 0.032 0.000 0.981 44 V HN 0.622 nan 8.190 nan 0.000 0.478 45 P HA 0.031 nan 4.420 nan 0.000 0.265 45 P C 0.985 178.302 177.300 0.028 0.000 1.187 45 P CA 0.200 63.317 63.100 0.030 0.000 0.766 45 P CB 0.519 32.242 31.700 0.038 0.000 0.820 46 S N 1.047 116.765 115.700 0.029 0.000 2.399 46 S HA -0.182 4.302 4.470 0.023 0.000 0.231 46 S C 1.667 176.286 174.600 0.031 0.000 1.022 46 S CA 1.766 59.983 58.200 0.029 0.000 0.983 46 S CB -1.681 61.538 63.200 0.032 0.000 0.803 46 S HN 0.607 nan 8.310 nan 0.000 0.480 47 T N 0.512 115.089 114.554 0.038 0.000 2.746 47 T HA 0.133 4.497 4.350 0.023 0.000 0.267 47 T C 2.019 176.746 174.700 0.045 0.000 1.039 47 T CA 1.079 63.206 62.100 0.045 0.000 1.142 47 T CB -0.886 68.018 68.868 0.060 0.000 0.866 47 T HN 0.566 nan 8.240 nan 0.000 0.444 48 A N 1.296 124.140 122.820 0.041 0.000 1.930 48 A HA 0.185 4.518 4.320 0.023 0.000 0.217 48 A C 2.371 179.958 177.584 0.005 0.000 1.175 48 A CA 1.034 53.087 52.037 0.027 0.000 0.627 48 A CB -0.816 18.194 19.000 0.018 0.000 0.815 48 A HN 0.543 nan 8.150 nan 0.000 0.443 49 I N -0.761 119.811 120.570 0.003 0.000 2.179 49 I HA -0.290 3.894 4.170 0.023 0.000 0.242 49 I C 2.816 178.934 176.117 0.002 0.000 1.088 49 I CA 1.476 62.772 61.300 -0.008 0.000 1.357 49 I CB -0.249 37.751 38.000 -0.001 0.000 1.051 49 I HN 0.284 nan 8.210 nan 0.000 0.409 50 R N 0.211 120.722 120.500 0.019 0.000 2.073 50 R HA -0.220 4.133 4.340 0.023 0.000 0.234 50 R C 2.263 178.591 176.300 0.047 0.000 1.134 50 R CA 1.749 57.868 56.100 0.030 0.000 0.952 50 R CB -0.368 29.954 30.300 0.037 0.000 0.850 50 R HN 0.406 nan 8.270 nan 0.000 0.433 51 E N 0.938 121.174 120.200 0.060 0.000 2.058 51 E HA -0.205 4.159 4.350 0.023 0.000 0.194 51 E C 1.861 178.490 176.600 0.049 0.000 0.997 51 E CA 1.333 57.791 56.400 0.096 0.000 0.801 51 E CB -0.031 29.736 29.700 0.111 0.000 0.746 51 E HN 0.281 nan 8.360 nan 0.000 0.450 52 I N 0.923 121.498 120.570 0.009 0.000 2.163 52 I HA -0.256 3.928 4.170 0.023 0.000 0.240 52 I C 2.758 178.849 176.117 -0.044 0.000 1.081 52 I CA 1.305 62.582 61.300 -0.038 0.000 1.353 52 I CB -0.421 37.535 38.000 -0.073 0.000 1.054 52 I HN 0.210 nan 8.210 nan 0.000 0.407 53 S N 1.399 117.081 115.700 -0.031 0.000 2.382 53 S HA -0.128 4.356 4.470 0.023 0.000 0.228 53 S C 2.007 176.590 174.600 -0.028 0.000 1.027 53 S CA 1.020 59.203 58.200 -0.029 0.000 0.991 53 S CB -0.920 62.269 63.200 -0.018 0.000 0.823 53 S HN 0.389 nan 8.310 nan 0.000 0.469 54 L N -0.052 121.160 121.223 -0.019 0.000 2.109 54 L HA 0.047 4.401 4.340 0.023 0.000 0.207 54 L C 2.398 179.204 176.870 -0.106 0.000 1.086 54 L CA 0.574 55.399 54.840 -0.025 0.000 0.760 54 L CB -0.490 41.595 42.059 0.044 0.000 0.910 54 L HN 0.296 nan 8.230 nan 0.000 0.437 55 L N -0.168 120.968 121.223 -0.145 0.000 2.291 55 L HA -0.083 4.271 4.340 0.023 0.000 0.214 55 L C 2.438 179.236 176.870 -0.120 0.000 1.120 55 L CA 1.385 56.100 54.840 -0.209 0.000 0.799 55 L CB -0.887 41.078 42.059 -0.157 0.000 0.925 55 L HN 0.128 nan 8.230 nan 0.000 0.446 56 K N 0.169 120.520 120.400 -0.081 0.000 2.103 56 K HA -0.157 4.177 4.320 0.023 0.000 0.207 56 K C 1.705 178.282 176.600 -0.038 0.000 1.048 56 K CA 1.237 57.490 56.287 -0.057 0.000 0.930 56 K CB -0.021 32.452 32.500 -0.045 0.000 0.716 56 K HN 0.532 nan 8.250 nan 0.000 0.444 57 E N 0.246 120.426 120.200 -0.034 0.000 2.318 57 E HA 0.020 4.384 4.350 0.023 0.000 0.193 57 E C 0.466 177.069 176.600 0.005 0.000 0.998 57 E CA 0.128 56.525 56.400 -0.005 0.000 0.859 57 E CB 0.164 29.867 29.700 0.004 0.000 0.812 57 E HN 0.184 nan 8.360 nan 0.000 0.492 58 L N 2.803 124.010 121.223 -0.027 0.000 2.449 58 L HA 0.229 4.582 4.340 0.023 0.000 0.255 58 L C -0.653 176.188 176.870 -0.048 0.000 1.167 58 L CA -0.257 54.604 54.840 0.035 0.000 1.090 58 L CB -0.388 41.616 42.059 -0.093 0.000 1.385 58 L HN -0.068 nan 8.230 nan 0.000 0.411 59 N N 1.636 120.311 118.700 -0.042 0.000 2.462 59 N HA 0.387 5.141 4.740 0.023 0.000 0.242 59 N C -0.726 174.539 175.510 -0.408 0.000 1.010 59 N CA -0.461 52.496 53.050 -0.155 0.000 0.939 59 N CB 0.733 39.177 38.487 -0.072 0.000 1.127 59 N HN 0.406 nan 8.380 nan 0.000 0.509 60 H N 1.369 120.119 119.070 -0.533 0.000 3.046 60 H HA 0.235 4.805 4.556 0.023 0.000 0.363 60 H C -2.136 172.980 175.328 -0.352 0.000 1.203 60 H CA -1.611 54.031 56.048 -0.677 0.000 1.169 60 H CB 1.929 30.970 29.762 -1.203 0.000 1.851 60 H HN 0.222 nan 8.280 nan 0.000 0.546 61 P HA -0.095 nan 4.420 nan 0.000 0.223 61 P C -0.305 176.939 177.300 -0.093 0.000 1.144 61 P CA 1.202 64.125 63.100 -0.295 0.000 0.783 61 P CB 0.247 31.745 31.700 -0.336 0.000 0.771 62 N N -0.800 117.980 118.700 0.133 0.000 2.275 62 N HA 0.259 5.012 4.740 0.023 0.000 0.236 62 N C -0.111 175.432 175.510 0.054 0.000 1.154 62 N CA -0.128 52.984 53.050 0.102 0.000 0.866 62 N CB 0.341 38.893 38.487 0.108 0.000 1.093 62 N HN 0.142 nan 8.380 nan 0.000 0.515 63 I N 0.828 121.419 120.570 0.035 0.000 2.466 63 I HA 0.266 4.450 4.170 0.023 0.000 0.289 63 I C -0.167 175.940 176.117 -0.016 0.000 1.026 63 I CA -1.214 60.097 61.300 0.019 0.000 1.078 63 I CB 2.194 40.172 38.000 -0.036 0.000 1.249 63 I HN -0.231 nan 8.210 nan 0.000 0.429 64 V N 5.828 125.743 119.914 0.001 0.000 2.617 64 V HA -0.068 4.066 4.120 0.023 0.000 0.304 64 V C 0.617 176.745 176.094 0.057 0.000 1.040 64 V CA 0.145 62.440 62.300 -0.009 0.000 1.149 64 V CB 0.240 32.002 31.823 -0.102 0.000 0.914 64 V HN 0.656 nan 8.190 nan 0.000 0.487 65 K N 4.197 124.650 120.400 0.088 0.000 2.312 65 K HA 0.325 4.659 4.320 0.023 0.000 0.287 65 K C -0.538 176.169 176.600 0.178 0.000 1.062 65 K CA -0.777 55.558 56.287 0.080 0.000 0.934 65 K CB 0.754 33.269 32.500 0.025 0.000 1.027 65 K HN 0.532 nan 8.250 nan 0.000 0.478 66 L N 6.691 127.960 121.223 0.077 0.000 2.385 66 L HA 0.111 4.465 4.340 0.023 0.000 0.281 66 L C 0.334 177.117 176.870 -0.145 0.000 1.106 66 L CA 0.482 55.222 54.840 -0.167 0.000 0.856 66 L CB 0.414 42.345 42.059 -0.212 0.000 1.186 66 L HN 0.818 nan 8.230 nan 0.000 0.453 67 L N 2.918 124.045 121.223 -0.159 0.000 2.202 67 L HA 0.272 4.626 4.340 0.023 0.000 0.205 67 L C 0.215 177.042 176.870 -0.072 0.000 1.083 67 L CA 0.433 55.229 54.840 -0.073 0.000 0.790 67 L CB -0.090 41.960 42.059 -0.016 0.000 0.942 67 L HN 0.647 nan 8.230 nan 0.000 0.452 68 D N -2.173 118.153 120.400 -0.124 0.000 2.653 68 D HA 0.358 5.011 4.640 0.023 0.000 0.258 68 D C -1.531 174.697 176.300 -0.119 0.000 1.252 68 D CA -0.222 53.734 54.000 -0.074 0.000 0.777 68 D CB 2.619 43.427 40.800 0.013 0.000 1.339 68 D HN -0.358 nan 8.370 nan 0.000 0.422 69 V N 2.349 122.227 119.914 -0.060 0.000 2.443 69 V HA 0.487 4.621 4.120 0.023 0.000 0.293 69 V C -0.110 176.012 176.094 0.047 0.000 1.021 69 V CA -0.589 61.683 62.300 -0.047 0.000 0.848 69 V CB 1.448 33.221 31.823 -0.084 0.000 0.998 69 V HN 0.414 nan 8.190 nan 0.000 0.424 70 I N 4.880 125.513 120.570 0.106 0.000 2.306 70 I HA 0.384 4.568 4.170 0.023 0.000 0.288 70 I C 0.014 176.280 176.117 0.248 0.000 1.036 70 I CA -0.084 61.320 61.300 0.173 0.000 1.221 70 I CB 0.477 38.581 38.000 0.172 0.000 1.385 70 I HN 0.648 nan 8.210 nan 0.000 0.472 71 H N 6.137 125.254 119.070 0.078 0.000 2.638 71 H HA 0.528 5.097 4.556 0.022 0.000 0.317 71 H C -0.985 174.376 175.328 0.054 0.000 1.006 71 H CA -0.413 55.668 56.048 0.056 0.000 1.222 71 H CB 0.931 30.711 29.762 0.030 0.000 1.419 71 H HN 0.620 nan 8.280 nan 0.000 0.489 72 T N 2.151 116.738 114.554 0.056 0.000 2.742 72 T HA 0.028 4.392 4.350 0.023 0.000 0.282 72 T C 1.101 175.769 174.700 -0.055 0.000 1.025 72 T CA -0.880 61.197 62.100 -0.039 0.000 1.020 72 T CB 1.853 70.750 68.868 0.048 0.000 1.317 72 T HN 0.684 nan 8.240 nan 0.000 0.538 73 E N 0.577 120.753 120.200 -0.039 0.000 2.038 73 E HA -0.173 4.191 4.350 0.023 0.000 0.195 73 E C 1.142 177.746 176.600 0.007 0.000 1.000 73 E CA 1.885 58.270 56.400 -0.026 0.000 0.803 73 E CB -0.089 29.601 29.700 -0.016 0.000 0.750 73 E HN 0.574 nan 8.360 nan 0.000 0.448 74 N N -1.174 117.538 118.700 0.020 0.000 2.184 74 N HA 0.117 4.871 4.740 0.023 0.000 0.206 74 N C -0.830 174.691 175.510 0.018 0.000 1.151 74 N CA -0.124 52.940 53.050 0.022 0.000 0.878 74 N CB 0.824 39.324 38.487 0.021 0.000 1.014 74 N HN -0.148 nan 8.380 nan 0.000 0.512 75 K N 0.606 121.023 120.400 0.029 0.000 2.469 75 K HA 0.500 4.834 4.320 0.023 0.000 0.254 75 K C -1.955 174.647 176.600 0.003 0.000 0.939 75 K CA -0.652 55.617 56.287 -0.030 0.000 0.812 75 K CB 2.336 34.807 32.500 -0.049 0.000 1.301 75 K HN -0.174 nan 8.250 nan 0.000 0.433 76 L N 3.365 124.522 121.223 -0.109 0.000 2.376 76 L HA 0.501 4.855 4.340 0.023 0.000 0.275 76 L C -1.875 174.878 176.870 -0.195 0.000 0.987 76 L CA -0.324 54.496 54.840 -0.034 0.000 0.828 76 L CB 0.891 42.949 42.059 -0.002 0.000 1.249 76 L HN 0.578 nan 8.230 nan 0.000 0.409 77 Y N 5.248 125.562 120.300 0.024 0.000 2.335 77 Y HA 0.555 5.120 4.550 0.025 0.000 0.338 77 Y C -0.334 175.514 175.900 -0.087 0.000 0.977 77 Y CA -0.682 57.409 58.100 -0.014 0.000 1.114 77 Y CB 1.543 39.985 38.460 -0.031 0.000 1.182 77 Y HN 0.337 nan 8.280 nan 0.000 0.463 78 L N 4.948 126.175 121.223 0.006 0.000 2.264 78 L HA 0.503 4.857 4.340 0.023 0.000 0.289 78 L C -0.708 175.970 176.870 -0.320 0.000 1.044 78 L CA -1.053 53.643 54.840 -0.240 0.000 0.807 78 L CB 0.957 42.820 42.059 -0.327 0.000 1.192 78 L HN 0.318 nan 8.230 nan 0.000 0.425 79 V N 3.847 123.517 119.914 -0.407 0.000 2.350 79 V HA 0.382 4.516 4.120 0.023 0.000 0.276 79 V C -0.208 175.642 176.094 -0.407 0.000 1.028 79 V CA -0.250 61.850 62.300 -0.333 0.000 0.860 79 V CB 0.802 32.465 31.823 -0.268 0.000 0.990 79 V HN 0.380 nan 8.190 nan 0.000 0.453 80 F N 2.288 122.212 119.950 -0.043 0.000 2.507 80 F HA 0.463 5.003 4.527 0.021 0.000 0.327 80 F C 0.832 176.635 175.800 0.005 0.000 1.068 80 F CA -1.190 56.796 58.000 -0.024 0.000 0.965 80 F CB 1.299 40.282 39.000 -0.029 0.000 1.192 80 F HN 0.649 nan 8.300 nan 0.000 0.476 81 E N 1.241 121.569 120.200 0.214 0.000 2.481 81 E HA -0.034 4.330 4.350 0.023 0.000 0.263 81 E C -1.014 175.683 176.600 0.162 0.000 0.992 81 E CA -0.218 56.274 56.400 0.152 0.000 0.938 81 E CB 0.461 30.218 29.700 0.095 0.000 0.933 81 E HN 0.462 nan 8.360 nan 0.000 0.453 82 F N 3.472 123.422 119.950 -0.000 0.000 2.427 82 F HA 0.362 4.903 4.527 0.023 0.000 0.352 82 F C -1.061 174.665 175.800 -0.122 0.000 1.100 82 F CA -0.515 57.443 58.000 -0.070 0.000 1.191 82 F CB 0.491 39.422 39.000 -0.114 0.000 1.128 82 F HN 0.401 nan 8.300 nan 0.000 0.533 83 L N 6.119 126.787 121.223 -0.924 0.000 2.354 83 L HA 0.335 4.688 4.340 0.023 0.000 0.269 83 L C 0.337 176.483 176.870 -1.207 0.000 1.005 83 L CA -0.569 53.815 54.840 -0.760 0.000 0.819 83 L CB 1.905 43.749 42.059 -0.358 0.000 1.311 83 L HN 0.646 nan 8.230 nan 0.000 0.423 84 H N -0.262 118.428 119.070 -0.633 0.000 2.403 84 H HA 0.057 4.627 4.556 0.023 0.000 0.298 84 H C -0.063 175.136 175.328 -0.216 0.000 1.059 84 H CA 0.786 56.606 56.048 -0.380 0.000 1.363 84 H CB 0.214 29.935 29.762 -0.069 0.000 1.410 84 H HN 0.585 nan 8.280 nan 0.000 0.528 85 Q N 0.068 119.820 119.800 -0.082 0.000 2.737 85 Q HA 0.250 4.604 4.340 0.023 0.000 0.307 85 Q C -1.710 174.235 176.000 -0.091 0.000 0.905 85 Q CA -1.114 54.656 55.803 -0.055 0.000 0.753 85 Q CB 1.626 30.390 28.738 0.044 0.000 1.463 85 Q HN 0.171 nan 8.270 nan 0.000 0.455 86 D N -0.023 120.347 120.400 -0.050 0.000 2.277 86 D HA 0.235 4.888 4.640 0.023 0.000 0.250 86 D C 0.587 176.885 176.300 -0.003 0.000 1.032 86 D CA -0.840 53.122 54.000 -0.063 0.000 0.947 86 D CB 1.183 41.947 40.800 -0.060 0.000 1.159 86 D HN 0.508 nan 8.370 nan 0.000 0.460 87 L N 0.938 122.140 121.223 -0.034 0.000 2.079 87 L HA -0.122 4.232 4.340 0.023 0.000 0.210 87 L C 1.970 178.928 176.870 0.146 0.000 1.081 87 L CA 1.910 56.783 54.840 0.056 0.000 0.752 87 L CB -0.888 41.161 42.059 -0.016 0.000 0.896 87 L HN 0.590 nan 8.230 nan 0.000 0.433 88 K N 0.175 120.623 120.400 0.079 0.000 2.032 88 K HA -0.194 4.140 4.320 0.023 0.000 0.209 88 K C 2.051 178.712 176.600 0.101 0.000 1.048 88 K CA 1.878 58.218 56.287 0.089 0.000 0.927 88 K CB -0.197 32.337 32.500 0.057 0.000 0.712 88 K HN 0.353 nan 8.250 nan 0.000 0.441 89 K N -0.910 119.548 120.400 0.097 0.000 2.148 89 K HA -0.115 4.218 4.320 0.023 0.000 0.204 89 K C 2.082 178.767 176.600 0.143 0.000 1.050 89 K CA 1.271 57.617 56.287 0.097 0.000 0.942 89 K CB -0.302 32.247 32.500 0.082 0.000 0.724 89 K HN 0.112 nan 8.250 nan 0.000 0.446 90 F N 1.812 121.784 119.950 0.038 0.000 2.134 90 F HA -0.145 4.395 4.527 0.023 0.000 0.299 90 F C 2.079 177.932 175.800 0.088 0.000 1.097 90 F CA 1.452 59.492 58.000 0.066 0.000 1.264 90 F CB -0.143 38.915 39.000 0.098 0.000 1.001 90 F HN -0.091 nan 8.300 nan 0.000 0.479 91 M N -0.134 119.518 119.600 0.087 0.000 2.117 91 M HA -0.230 4.263 4.480 0.023 0.000 0.262 91 M C 1.768 178.036 176.300 -0.053 0.000 1.065 91 M CA 1.828 57.124 55.300 -0.007 0.000 1.114 91 M CB -0.580 32.074 32.600 0.089 0.000 1.361 91 M HN 0.038 nan 8.290 nan 0.000 0.408 92 D N 0.596 120.990 120.400 -0.010 0.000 2.097 92 D HA -0.096 4.558 4.640 0.023 0.000 0.195 92 D C 1.977 178.247 176.300 -0.050 0.000 0.989 92 D CA 1.687 55.680 54.000 -0.012 0.000 0.827 92 D CB -0.291 40.520 40.800 0.017 0.000 0.966 92 D HN 0.346 nan 8.370 nan 0.000 0.456 93 A N 0.283 123.057 122.820 -0.076 0.000 2.070 93 A HA -0.080 4.254 4.320 0.023 0.000 0.220 93 A C 2.144 179.621 177.584 -0.180 0.000 1.159 93 A CA 1.161 53.134 52.037 -0.108 0.000 0.656 93 A CB -0.189 18.761 19.000 -0.083 0.000 0.800 93 A HN 0.108 nan 8.150 nan 0.000 0.453 94 S N -0.491 115.055 115.700 -0.255 0.000 2.605 94 S HA 0.362 4.846 4.470 0.023 0.000 0.217 94 S C 1.883 176.429 174.600 -0.090 0.000 0.958 94 S CA 0.384 58.462 58.200 -0.204 0.000 0.919 94 S CB -0.084 62.928 63.200 -0.314 0.000 0.780 94 S HN 0.747 nan 8.310 nan 0.000 0.507 95 A N 1.804 124.580 122.820 -0.073 0.000 1.929 95 A HA -0.185 4.149 4.320 0.023 0.000 0.221 95 A C 1.887 179.452 177.584 -0.032 0.000 1.211 95 A CA 1.679 53.691 52.037 -0.043 0.000 0.657 95 A CB -0.547 18.434 19.000 -0.031 0.000 0.827 95 A HN 0.533 nan 8.150 nan 0.000 0.462 96 L N -1.527 119.681 121.223 -0.026 0.000 2.408 96 L HA -0.019 4.335 4.340 0.023 0.000 0.215 96 L C 2.633 179.497 176.870 -0.011 0.000 1.081 96 L CA 1.148 55.978 54.840 -0.017 0.000 0.840 96 L CB -0.080 41.971 42.059 -0.013 0.000 1.002 96 L HN 0.527 nan 8.230 nan 0.000 0.468 97 T N -1.431 113.124 114.554 0.001 0.000 2.851 97 T HA 0.246 4.609 4.350 0.023 0.000 0.262 97 T C 1.104 175.795 174.700 -0.015 0.000 1.043 97 T CA 0.527 62.635 62.100 0.014 0.000 1.140 97 T CB -0.333 68.588 68.868 0.088 0.000 0.872 97 T HN 0.422 nan 8.240 nan 0.000 0.446 98 G N 1.305 110.092 108.800 -0.022 0.000 2.795 98 G HA2 -0.107 3.867 3.960 0.023 0.000 0.664 98 G HA3 -0.107 3.867 3.960 0.023 0.000 0.664 98 G C -0.684 174.176 174.900 -0.067 0.000 1.381 98 G CA -0.674 44.403 45.100 -0.039 0.000 0.853 98 G HN 0.591 nan 8.290 nan 0.000 0.545 99 I N 1.823 122.359 120.570 -0.056 0.000 2.342 99 I HA 0.295 4.478 4.170 0.023 0.000 0.291 99 I C -1.783 174.265 176.117 -0.115 0.000 1.010 99 I CA -1.883 59.374 61.300 -0.071 0.000 1.308 99 I CB 1.531 39.594 38.000 0.104 0.000 1.400 99 I HN 0.218 nan 8.210 nan 0.000 0.488 100 P HA -0.038 nan 4.420 nan 0.000 0.266 100 P C 0.885 178.137 177.300 -0.080 0.000 1.195 100 P CA -0.265 62.734 63.100 -0.170 0.000 0.768 100 P CB 0.776 32.340 31.700 -0.227 0.000 0.838 101 L N 5.389 126.589 121.223 -0.038 0.000 2.013 101 L HA -0.121 4.233 4.340 0.023 0.000 0.212 101 L C -0.879 175.974 176.870 -0.028 0.000 1.073 101 L CA 2.732 57.579 54.840 0.012 0.000 0.753 101 L CB -2.056 40.019 42.059 0.027 0.000 0.890 101 L HN 0.336 nan 8.230 nan 0.000 0.432 102 P HA -0.172 nan 4.420 nan 0.000 0.218 102 P C 1.828 179.049 177.300 -0.130 0.000 1.148 102 P CA 0.974 64.011 63.100 -0.105 0.000 0.822 102 P CB 0.030 31.671 31.700 -0.099 0.000 0.784 103 L N -0.970 120.157 121.223 -0.160 0.000 2.095 103 L HA -0.028 4.326 4.340 0.023 0.000 0.204 103 L C 2.219 178.890 176.870 -0.332 0.000 1.080 103 L CA 1.472 56.118 54.840 -0.323 0.000 0.759 103 L CB -1.140 40.745 42.059 -0.290 0.000 0.914 103 L HN -0.134 nan 8.230 nan 0.000 0.439 104 I N -0.533 119.997 120.570 -0.067 0.000 2.208 104 I HA -0.355 3.829 4.170 0.023 0.000 0.245 104 I C 2.532 178.765 176.117 0.194 0.000 1.097 104 I CA 1.559 62.939 61.300 0.133 0.000 1.363 104 I CB -0.362 37.782 38.000 0.239 0.000 1.051 104 I HN 0.293 nan 8.210 nan 0.000 0.413 105 K N 0.434 120.913 120.400 0.132 0.000 2.057 105 K HA -0.190 4.144 4.320 0.023 0.000 0.206 105 K C 2.383 179.104 176.600 0.202 0.000 1.050 105 K CA 1.648 58.024 56.287 0.147 0.000 0.935 105 K CB -0.090 32.297 32.500 -0.189 0.000 0.715 105 K HN 0.128 nan 8.250 nan 0.000 0.439 106 S N -0.380 115.346 115.700 0.044 0.000 2.359 106 S HA -0.172 4.312 4.470 0.023 0.000 0.224 106 S C 1.934 176.665 174.600 0.217 0.000 1.035 106 S CA 1.142 59.376 58.200 0.058 0.000 1.018 106 S CB -0.368 62.792 63.200 -0.066 0.000 0.876 106 S HN 0.383 nan 8.310 nan 0.000 0.448 107 Y N 1.010 121.364 120.300 0.091 0.000 2.163 107 Y HA 0.047 4.611 4.550 0.024 0.000 0.288 107 Y C 2.316 178.255 175.900 0.065 0.000 1.136 107 Y CA 0.431 58.566 58.100 0.059 0.000 1.147 107 Y CB -1.329 37.164 38.460 0.055 0.000 0.987 107 Y HN 0.282 nan 8.280 nan 0.000 0.509 108 L N -0.776 120.620 121.223 0.288 0.000 2.042 108 L HA -0.240 4.114 4.340 0.023 0.000 0.210 108 L C 2.258 179.192 176.870 0.106 0.000 1.076 108 L CA 1.576 56.528 54.840 0.187 0.000 0.749 108 L CB -1.203 40.953 42.059 0.160 0.000 0.893 108 L HN 0.143 nan 8.230 nan 0.000 0.432 109 F N 0.032 119.900 119.950 -0.135 0.000 2.134 109 F HA -0.251 4.290 4.527 0.024 0.000 0.299 109 F C 2.520 178.168 175.800 -0.253 0.000 1.097 109 F CA 1.915 59.584 58.000 -0.552 0.000 1.264 109 F CB -0.281 38.354 39.000 -0.608 0.000 1.001 109 F HN 0.229 nan 8.300 nan 0.000 0.479 110 Q N -0.048 119.757 119.800 0.007 0.000 2.079 110 Q HA -0.174 4.179 4.340 0.023 0.000 0.200 110 Q C 2.343 178.288 176.000 -0.093 0.000 0.974 110 Q CA 1.775 57.558 55.803 -0.033 0.000 0.840 110 Q CB -0.316 28.462 28.738 0.067 0.000 0.898 110 Q HN 0.456 nan 8.270 nan 0.000 0.430 111 L N 0.287 121.466 121.223 -0.073 0.000 2.046 111 L HA -0.218 4.136 4.340 0.023 0.000 0.208 111 L C 2.301 179.086 176.870 -0.141 0.000 1.077 111 L CA 0.997 55.776 54.840 -0.101 0.000 0.747 111 L CB -0.442 41.576 42.059 -0.069 0.000 0.896 111 L HN 0.240 nan 8.230 nan 0.000 0.432 112 L N -0.868 120.255 121.223 -0.167 0.000 2.046 112 L HA -0.246 4.108 4.340 0.023 0.000 0.208 112 L C 2.747 179.471 176.870 -0.243 0.000 1.077 112 L CA 1.281 56.005 54.840 -0.193 0.000 0.747 112 L CB -0.552 41.380 42.059 -0.211 0.000 0.896 112 L HN 0.327 nan 8.230 nan 0.000 0.432 113 Q N -0.260 119.345 119.800 -0.324 0.000 2.030 113 Q HA -0.199 4.154 4.340 0.023 0.000 0.204 113 Q C 2.316 178.140 176.000 -0.293 0.000 0.986 113 Q CA 1.709 57.359 55.803 -0.254 0.000 0.843 113 Q CB -0.497 28.136 28.738 -0.175 0.000 0.904 113 Q HN 0.638 nan 8.270 nan 0.000 0.420 114 G N 0.782 109.419 108.800 -0.272 0.000 2.418 114 G HA2 -0.248 3.726 3.960 0.023 0.000 0.217 114 G HA3 -0.248 3.726 3.960 0.023 0.000 0.217 114 G C 1.356 176.127 174.900 -0.214 0.000 1.158 114 G CA 0.609 45.509 45.100 -0.335 0.000 0.771 114 G HN 0.219 nan 8.290 nan 0.000 0.545 115 L N 1.291 122.395 121.223 -0.199 0.000 2.056 115 L HA 0.235 4.589 4.340 0.023 0.000 0.207 115 L C 3.080 179.754 176.870 -0.328 0.000 1.078 115 L CA 2.003 56.682 54.840 -0.269 0.000 0.749 115 L CB -0.738 41.157 42.059 -0.275 0.000 0.901 115 L HN 0.228 nan 8.230 nan 0.000 0.433 116 A N -1.180 121.532 122.820 -0.180 0.000 1.940 116 A HA -0.274 4.060 4.320 0.023 0.000 0.219 116 A C 2.278 179.883 177.584 0.036 0.000 1.176 116 A CA 1.863 53.870 52.037 -0.050 0.000 0.631 116 A CB -1.134 17.853 19.000 -0.022 0.000 0.814 116 A HN 0.529 nan 8.150 nan 0.000 0.446 117 F N 0.190 120.043 119.950 -0.162 0.000 2.113 117 F HA -0.220 4.320 4.527 0.023 0.000 0.297 117 F C 2.521 178.370 175.800 0.080 0.000 1.103 117 F CA 1.680 59.633 58.000 -0.078 0.000 1.248 117 F CB -0.499 38.246 39.000 -0.425 0.000 0.999 117 F HN 0.310 nan 8.300 nan 0.000 0.475 118 C N 0.154 119.557 119.300 0.172 0.000 2.393 118 C HA -0.245 4.229 4.460 0.023 0.000 0.276 118 C C 2.733 177.896 174.990 0.288 0.000 1.215 118 C CA 1.423 60.570 59.018 0.216 0.000 1.743 118 C CB -1.570 26.309 27.740 0.232 0.000 2.044 118 C HN 0.518 nan 8.230 nan 0.000 0.464 119 H N 0.393 119.585 119.070 0.203 0.000 2.387 119 H HA -0.049 4.521 4.556 0.023 0.000 0.299 119 H C 2.469 177.881 175.328 0.140 0.000 1.090 119 H CA 1.627 57.833 56.048 0.263 0.000 1.332 119 H CB -0.802 29.091 29.762 0.217 0.000 1.386 119 H HN 0.380 nan 8.280 nan 0.000 0.516 120 S N -0.001 115.786 115.700 0.145 0.000 2.474 120 S HA -0.106 4.378 4.470 0.023 0.000 0.235 120 S C 0.681 175.062 174.600 -0.365 0.000 0.997 120 S CA 0.777 58.920 58.200 -0.095 0.000 0.949 120 S CB -0.139 62.961 63.200 -0.166 0.000 0.766 120 S HN 0.588 nan 8.310 nan 0.000 0.517 121 H N 0.479 119.415 119.070 -0.224 0.000 2.469 121 H HA 0.287 4.856 4.556 0.022 0.000 0.286 121 H C 0.323 175.499 175.328 -0.254 0.000 1.106 121 H CA -0.323 55.572 56.048 -0.256 0.000 1.055 121 H CB 0.040 29.612 29.762 -0.316 0.000 1.618 121 H HN 0.223 nan 8.280 nan 0.000 0.559 122 R N -1.488 118.820 120.500 -0.319 0.000 3.416 122 R HA -0.147 4.207 4.340 0.023 0.000 0.263 122 R C -1.581 174.335 176.300 -0.639 0.000 1.053 122 R CA 0.451 55.944 56.100 -1.011 0.000 0.705 122 R CB -3.234 26.479 30.300 -0.979 0.000 1.124 122 R HN 0.131 nan 8.270 nan 0.000 0.444 123 V N 1.348 121.294 119.914 0.053 0.000 2.444 123 V HA 0.462 4.596 4.120 0.023 0.000 0.294 123 V C 0.466 176.914 176.094 0.590 0.000 1.022 123 V CA -0.864 61.616 62.300 0.299 0.000 0.850 123 V CB 1.809 33.796 31.823 0.272 0.000 0.992 123 V HN 0.323 nan 8.190 nan 0.000 0.426 124 L N 4.245 125.782 121.223 0.524 0.000 2.292 124 L HA 0.455 4.808 4.340 0.023 0.000 0.284 124 L C 1.413 178.445 176.870 0.269 0.000 1.065 124 L CA -0.549 54.535 54.840 0.406 0.000 0.806 124 L CB 1.017 43.236 42.059 0.268 0.000 1.175 124 L HN 0.752 nan 8.230 nan 0.000 0.431 125 H N 4.574 123.723 119.070 0.131 0.000 2.317 125 H HA 0.026 4.597 4.556 0.025 0.000 0.304 125 H C 0.709 175.980 175.328 -0.095 0.000 1.067 125 H CA 1.321 57.296 56.048 -0.122 0.000 1.352 125 H CB 0.539 30.131 29.762 -0.283 0.000 1.398 125 H HN 0.618 nan 8.280 nan 0.000 0.510 126 R N -0.143 120.445 120.500 0.146 0.000 3.989 126 R HA -0.179 4.175 4.340 0.023 0.000 0.377 126 R C -0.707 175.630 176.300 0.062 0.000 1.158 126 R CA 1.045 57.188 56.100 0.073 0.000 1.035 126 R CB -1.706 28.612 30.300 0.029 0.000 1.557 126 R HN 0.338 nan 8.270 nan 0.000 0.551 127 D N 0.196 120.726 120.400 0.218 0.000 3.216 127 D HA 0.210 4.863 4.640 0.023 0.000 0.348 127 D C -0.732 175.644 176.300 0.125 0.000 1.407 127 D CA -0.218 53.863 54.000 0.135 0.000 0.744 127 D CB 0.364 41.176 40.800 0.021 0.000 1.264 127 D HN 0.106 nan 8.370 nan 0.000 0.543 128 L N 2.158 123.382 121.223 0.001 0.000 2.385 128 L HA 0.320 4.674 4.340 0.023 0.000 0.281 128 L C 0.470 177.143 176.870 -0.329 0.000 1.106 128 L CA 0.281 54.968 54.840 -0.255 0.000 0.856 128 L CB 0.149 42.065 42.059 -0.238 0.000 1.186 128 L HN 0.092 nan 8.230 nan 0.000 0.453 129 K N 2.502 122.640 120.400 -0.438 0.000 2.556 129 K HA 0.511 4.845 4.320 0.023 0.000 0.274 129 K C -2.723 173.621 176.600 -0.427 0.000 0.966 129 K CA -1.748 54.066 56.287 -0.789 0.000 0.865 129 K CB 1.659 33.747 32.500 -0.686 0.000 1.444 129 K HN -0.148 nan 8.250 nan 0.000 0.433 130 P HA -0.153 nan 4.420 nan 0.000 0.219 130 P C 0.669 177.901 177.300 -0.113 0.000 1.146 130 P CA 1.189 64.206 63.100 -0.139 0.000 0.808 130 P CB 0.179 31.871 31.700 -0.013 0.000 0.779 131 Q N -0.980 118.752 119.800 -0.113 0.000 2.291 131 Q HA -0.084 4.270 4.340 0.023 0.000 0.206 131 Q C 1.202 177.141 176.000 -0.103 0.000 0.976 131 Q CA 1.076 56.830 55.803 -0.083 0.000 0.875 131 Q CB -0.688 28.012 28.738 -0.064 0.000 0.927 131 Q HN 0.262 nan 8.270 nan 0.000 0.450 132 N N -0.575 118.043 118.700 -0.137 0.000 2.268 132 N HA 0.139 4.893 4.740 0.023 0.000 0.204 132 N C -0.837 174.568 175.510 -0.174 0.000 1.124 132 N CA 0.204 53.172 53.050 -0.137 0.000 0.838 132 N CB 0.655 39.078 38.487 -0.106 0.000 0.994 132 N HN 0.189 nan 8.380 nan 0.000 0.489 133 L N 1.481 122.596 121.223 -0.180 0.000 2.316 133 L HA 0.472 4.825 4.340 0.023 0.000 0.280 133 L C -0.506 176.241 176.870 -0.205 0.000 1.006 133 L CA -0.436 54.283 54.840 -0.202 0.000 0.836 133 L CB 1.402 43.337 42.059 -0.208 0.000 1.221 133 L HN -0.237 nan 8.230 nan 0.000 0.418 134 L N 5.123 126.219 121.223 -0.212 0.000 2.322 134 L HA 0.646 5.000 4.340 0.023 0.000 0.279 134 L C -0.102 176.615 176.870 -0.254 0.000 1.036 134 L CA -0.739 53.971 54.840 -0.218 0.000 0.807 134 L CB 1.973 43.903 42.059 -0.214 0.000 1.226 134 L HN 0.550 nan 8.230 nan 0.000 0.433 135 I N -0.253 120.166 120.570 -0.253 0.000 2.646 135 I HA 0.623 4.806 4.170 0.023 0.000 0.299 135 I C -0.791 175.243 176.117 -0.137 0.000 1.036 135 I CA -0.692 60.445 61.300 -0.271 0.000 1.074 135 I CB 2.042 39.792 38.000 -0.417 0.000 1.258 135 I HN 0.618 nan 8.210 nan 0.000 0.430 136 N N 1.516 120.162 118.700 -0.091 0.000 2.592 136 N HA 0.353 5.107 4.740 0.023 0.000 0.292 136 N C 0.540 175.946 175.510 -0.174 0.000 1.260 136 N CA -0.158 52.883 53.050 -0.015 0.000 0.910 136 N CB 0.725 39.258 38.487 0.077 0.000 1.257 136 N HN 0.746 nan 8.380 nan 0.000 0.569 137 T N -3.799 110.544 114.554 -0.352 0.000 3.085 137 T HA 0.095 4.459 4.350 0.023 0.000 0.263 137 T C 0.568 175.197 174.700 -0.119 0.000 1.127 137 T CA 0.637 62.572 62.100 -0.275 0.000 1.103 137 T CB -0.168 68.476 68.868 -0.374 0.000 0.921 137 T HN 0.456 nan 8.240 nan 0.000 0.510 138 E N 0.902 121.058 120.200 -0.074 0.000 2.479 138 E HA 0.254 4.617 4.350 0.023 0.000 0.193 138 E C 1.585 178.181 176.600 -0.006 0.000 1.049 138 E CA 0.541 56.924 56.400 -0.028 0.000 0.870 138 E CB 0.282 29.975 29.700 -0.011 0.000 0.944 138 E HN 0.729 nan 8.360 nan 0.000 0.492 139 G N 0.837 109.641 108.800 0.007 0.000 2.179 139 G HA2 -0.228 3.746 3.960 0.023 0.000 0.220 139 G HA3 -0.228 3.746 3.960 0.023 0.000 0.220 139 G C 0.491 175.472 174.900 0.135 0.000 0.990 139 G CA 0.032 45.174 45.100 0.070 0.000 0.646 139 G HN 0.459 nan 8.290 nan 0.000 0.517 140 A N -0.125 122.724 122.820 0.049 0.000 2.371 140 A HA 0.774 5.108 4.320 0.023 0.000 0.257 140 A C 0.106 177.643 177.584 -0.078 0.000 1.089 140 A CA 0.383 52.428 52.037 0.014 0.000 0.794 140 A CB 0.734 19.722 19.000 -0.021 0.000 1.029 140 A HN 1.381 nan 8.150 nan 0.000 0.488 141 I N 0.772 121.263 120.570 -0.133 0.000 2.545 141 I HA 0.535 4.718 4.170 0.023 0.000 0.292 141 I C -0.895 175.118 176.117 -0.174 0.000 1.040 141 I CA -0.621 60.496 61.300 -0.305 0.000 1.068 141 I CB 1.713 39.349 38.000 -0.608 0.000 1.251 141 I HN 0.722 nan 8.210 nan 0.000 0.424 142 K N 6.862 127.158 120.400 -0.174 0.000 2.464 142 K HA 0.475 4.808 4.320 0.023 0.000 0.253 142 K C -1.588 174.948 176.600 -0.106 0.000 0.933 142 K CA -0.971 55.251 56.287 -0.108 0.000 0.801 142 K CB 2.378 34.830 32.500 -0.081 0.000 1.271 142 K HN 0.302 nan 8.250 nan 0.000 0.430 143 L N 2.119 123.315 121.223 -0.045 0.000 2.410 143 L HA 0.339 4.693 4.340 0.023 0.000 0.273 143 L C 0.181 177.133 176.870 0.136 0.000 1.152 143 L CA 0.609 55.433 54.840 -0.026 0.000 0.855 143 L CB 0.671 42.759 42.059 0.048 0.000 1.129 143 L HN 0.864 nan 8.230 nan 0.000 0.463 144 A N 2.108 124.955 122.820 0.044 0.000 2.486 144 A HA 0.665 4.999 4.320 0.023 0.000 0.289 144 A C -0.552 177.084 177.584 0.087 0.000 1.176 144 A CA -0.527 51.545 52.037 0.059 0.000 0.757 144 A CB 0.894 19.809 19.000 -0.140 0.000 1.337 144 A HN 0.664 nan 8.150 nan 0.000 0.423 145 D N -1.292 119.108 120.400 0.000 0.000 3.763 145 D HA -0.151 4.502 4.640 0.023 0.000 0.232 145 D C -0.774 175.480 176.300 -0.078 0.000 1.108 145 D CA 0.673 54.645 54.000 -0.047 0.000 1.117 145 D CB -0.959 39.781 40.800 -0.100 0.000 0.846 145 D HN 0.417 nan 8.370 nan 0.000 0.405 146 F N 0.639 120.507 119.950 -0.136 0.000 2.645 146 F HA 0.326 4.866 4.527 0.021 0.000 0.300 146 F C 2.273 177.991 175.800 -0.136 0.000 1.115 146 F CA 0.249 58.140 58.000 -0.182 0.000 1.355 146 F CB 0.419 39.381 39.000 -0.064 0.000 1.026 146 F HN 0.375 nan 8.300 nan 0.000 0.536 147 G N -0.109 108.692 108.800 0.001 0.000 2.450 147 G HA2 -0.204 3.770 3.960 0.023 0.000 0.220 147 G HA3 -0.204 3.770 3.960 0.023 0.000 0.220 147 G C 1.425 176.314 174.900 -0.018 0.000 1.130 147 G CA 0.699 45.806 45.100 0.012 0.000 0.760 147 G HN 0.210 nan 8.290 nan 0.000 0.557 148 L N 0.614 121.776 121.223 -0.101 0.000 2.628 148 L HA 0.520 4.874 4.340 0.023 0.000 0.229 148 L C 1.635 178.438 176.870 -0.111 0.000 1.137 148 L CA -0.847 53.936 54.840 -0.094 0.000 0.909 148 L CB -0.474 41.520 42.059 -0.108 0.000 1.137 148 L HN 0.235 nan 8.230 nan 0.000 0.470 149 A N 0.009 122.753 122.820 -0.128 0.000 2.259 149 A HA 0.651 4.985 4.320 0.023 0.000 0.278 149 A C 0.051 177.647 177.584 0.021 0.000 1.107 149 A CA -0.202 51.796 52.037 -0.064 0.000 0.828 149 A CB 0.546 19.561 19.000 0.025 0.000 1.111 149 A HN 0.206 nan 8.150 nan 0.000 0.498 150 R N -1.078 119.452 120.500 0.051 0.000 2.548 150 R HA 0.558 4.912 4.340 0.023 0.000 0.280 150 R C -0.848 175.465 176.300 0.021 0.000 1.061 150 R CA 0.341 56.431 56.100 -0.017 0.000 0.915 150 R CB 1.478 31.692 30.300 -0.144 0.000 1.210 150 R HN 1.123 nan 8.270 nan 0.000 0.442 151 A N 4.869 127.671 122.820 -0.030 0.000 2.409 151 A HA 0.494 4.828 4.320 0.023 0.000 0.267 151 A C -0.512 177.024 177.584 -0.081 0.000 1.127 151 A CA -0.268 51.732 52.037 -0.061 0.000 0.795 151 A CB -0.419 18.543 19.000 -0.064 0.000 1.061 151 A HN 0.587 nan 8.150 nan 0.000 0.502 152 F N 1.597 121.493 119.950 -0.089 0.000 2.509 152 F HA 0.867 5.406 4.527 0.020 0.000 0.334 152 F C 0.511 176.341 175.800 0.050 0.000 1.060 152 F CA -0.839 57.129 58.000 -0.054 0.000 0.997 152 F CB 0.839 39.836 39.000 -0.006 0.000 1.271 152 F HN 0.619 nan 8.300 nan 0.000 0.488 153 G N -0.129 108.900 108.800 0.382 0.000 2.509 153 G HA2 0.596 4.570 3.960 0.023 0.000 0.328 153 G HA3 0.596 4.570 3.960 0.023 0.000 0.328 153 G C -1.911 173.161 174.900 0.287 0.000 1.194 153 G CA -1.080 44.145 45.100 0.209 0.000 0.967 153 G HN 0.680 nan 8.290 nan 0.000 0.488 154 V N 2.448 122.447 119.914 0.142 0.000 2.407 154 V HA 0.399 4.533 4.120 0.023 0.000 0.291 154 V C -1.522 174.592 176.094 0.032 0.000 1.018 154 V CA -1.024 61.344 62.300 0.113 0.000 0.842 154 V CB 1.062 32.943 31.823 0.095 0.000 0.996 154 V HN 0.808 nan 8.190 nan 0.000 0.426 155 P HA 0.412 nan 4.420 nan 0.000 0.276 155 P C -0.211 177.046 177.300 -0.073 0.000 1.252 155 P CA -0.296 62.768 63.100 -0.060 0.000 0.802 155 P CB 1.113 32.723 31.700 -0.150 0.000 1.035 156 V N -0.612 119.230 119.914 -0.119 0.000 2.999 156 V HA 0.222 4.356 4.120 0.023 0.000 0.307 156 V C 0.598 176.488 176.094 -0.339 0.000 1.084 156 V CA -0.323 61.914 62.300 -0.104 0.000 1.155 156 V CB -0.124 31.625 31.823 -0.123 0.000 0.975 156 V HN 0.468 nan 8.190 nan 0.000 0.490 157 R N 1.463 121.743 120.500 -0.367 0.000 2.705 157 R HA 0.477 4.831 4.340 0.023 0.000 0.246 157 R C -0.033 175.885 176.300 -0.637 0.000 1.142 157 R CA -0.687 55.220 56.100 -0.321 0.000 1.114 157 R CB 1.005 31.184 30.300 -0.202 0.000 1.256 157 R HN 0.845 nan 8.270 nan 0.000 0.536 158 T N 1.966 116.349 114.554 -0.285 0.000 2.853 158 T HA 0.177 4.541 4.350 0.023 0.000 0.298 158 T C -0.714 173.723 174.700 -0.438 0.000 0.978 158 T CA 0.537 62.409 62.100 -0.379 0.000 1.152 158 T CB -0.048 68.689 68.868 -0.218 0.000 0.914 158 T HN 0.199 nan 8.240 nan 0.000 0.539 162 E N 2.513 122.653 120.200 -0.100 0.000 2.065 162 E HA -0.124 4.239 4.350 0.023 0.000 0.201 162 E C 0.952 177.413 176.600 -0.232 0.000 1.016 162 E CA 1.719 58.011 56.400 -0.179 0.000 0.818 162 E CB -0.899 28.775 29.700 -0.044 0.000 0.749 162 E HN 0.210 nan 8.360 nan 0.000 0.453 163 V N 0.299 120.124 119.914 -0.147 0.000 3.233 163 V HA -0.179 3.955 4.120 0.023 0.000 0.265 163 V C 0.078 176.093 176.094 -0.131 0.000 1.650 163 V CA 0.508 62.724 62.300 -0.139 0.000 1.577 163 V CB -1.015 30.737 31.823 -0.118 0.000 0.822 163 V HN 0.549 nan 8.190 nan 0.000 0.416 164 V N 2.132 122.011 119.914 -0.058 0.000 3.424 164 V HA -0.165 3.968 4.120 0.023 0.000 0.491 164 V C 0.647 176.763 176.094 0.036 0.000 0.682 164 V CA 0.628 62.933 62.300 0.009 0.000 2.038 164 V CB -1.650 30.193 31.823 0.033 0.000 2.479 164 V HN 1.642 nan 8.190 nan 0.000 0.504 165 T N 6.196 120.797 114.554 0.078 0.000 2.905 165 T HA 0.132 4.495 4.350 0.023 0.000 0.299 165 T C 1.144 175.927 174.700 0.138 0.000 1.024 165 T CA 0.564 62.712 62.100 0.080 0.000 1.151 165 T CB 0.606 69.537 68.868 0.104 0.000 0.987 165 T HN 0.936 nan 8.240 nan 0.000 0.535 166 L N 3.938 125.186 121.223 0.043 0.000 2.034 166 L HA -0.155 4.199 4.340 0.023 0.000 0.217 166 L C 1.846 178.847 176.870 0.219 0.000 1.077 166 L CA 2.052 56.947 54.840 0.090 0.000 0.769 166 L CB -0.674 41.427 42.059 0.069 0.000 0.890 166 L HN 0.769 nan 8.230 nan 0.000 0.435 167 W N -1.242 120.026 121.300 -0.054 0.000 2.421 167 W HA -0.148 4.527 4.660 0.024 0.000 0.270 167 W C 1.875 178.154 176.519 -0.399 0.000 1.233 167 W CA 0.731 57.906 57.345 -0.283 0.000 1.226 167 W CB -1.099 28.039 29.460 -0.537 0.000 1.121 167 W HN 0.315 nan 8.180 nan 0.000 0.579 168 Y N -1.017 119.514 120.300 0.385 0.000 2.531 168 Y HA 0.264 4.827 4.550 0.022 0.000 0.249 168 Y C 1.214 177.352 175.900 0.397 0.000 1.168 168 Y CA -0.694 57.626 58.100 0.367 0.000 1.226 168 Y CB -0.305 38.296 38.460 0.235 0.000 1.177 168 Y HN -0.332 nan 8.280 nan 0.000 0.527 169 R N 1.854 122.557 120.500 0.337 0.000 2.340 169 R HA 0.580 4.934 4.340 0.023 0.000 0.300 169 R C 0.018 176.250 176.300 -0.113 0.000 1.069 169 R CA -0.231 55.944 56.100 0.125 0.000 0.984 169 R CB 0.501 30.819 30.300 0.030 0.000 1.003 169 R HN 0.201 nan 8.270 nan 0.000 0.459 170 A N 6.139 128.760 122.820 -0.332 0.000 2.407 170 A HA 0.271 4.605 4.320 0.023 0.000 0.248 170 A C -1.624 175.582 177.584 -0.629 0.000 1.082 170 A CA -1.443 50.032 52.037 -0.937 0.000 0.785 170 A CB 0.293 19.019 19.000 -0.456 0.000 1.020 170 A HN 0.740 nan 8.150 nan 0.000 0.489 171 P HA -0.204 nan 4.420 nan 0.000 0.219 171 P C 1.010 178.421 177.300 0.185 0.000 1.146 171 P CA 1.534 64.535 63.100 -0.165 0.000 0.808 171 P CB 0.085 31.816 31.700 0.051 0.000 0.779 172 E N 0.515 120.833 120.200 0.197 0.000 2.208 172 E HA -0.109 4.255 4.350 0.023 0.000 0.193 172 E C 2.019 178.753 176.600 0.223 0.000 0.988 172 E CA 0.812 57.431 56.400 0.366 0.000 0.828 172 E CB -1.079 28.860 29.700 0.399 0.000 0.763 172 E HN 0.305 nan 8.360 nan 0.000 0.478 173 I N 1.000 121.626 120.570 0.093 0.000 2.233 173 I HA -0.211 3.972 4.170 0.023 0.000 0.243 173 I C 2.656 178.895 176.117 0.203 0.000 1.093 173 I CA 0.756 62.123 61.300 0.110 0.000 1.380 173 I CB -0.289 37.648 38.000 -0.106 0.000 1.067 173 I HN -0.010 nan 8.210 nan 0.000 0.413 174 L N 0.315 121.595 121.223 0.095 0.000 2.127 174 L HA -0.186 4.168 4.340 0.023 0.000 0.211 174 L C 2.106 179.069 176.870 0.155 0.000 1.089 174 L CA 1.274 56.173 54.840 0.099 0.000 0.757 174 L CB -0.391 41.666 42.059 -0.003 0.000 0.899 174 L HN 0.279 nan 8.230 nan 0.000 0.434 175 L N -0.356 120.978 121.223 0.185 0.000 2.612 175 L HA 0.175 4.529 4.340 0.023 0.000 0.230 175 L C 1.329 178.264 176.870 0.108 0.000 1.140 175 L CA 0.346 55.295 54.840 0.183 0.000 0.896 175 L CB -0.394 41.786 42.059 0.203 0.000 1.065 175 L HN 0.429 nan 8.230 nan 0.000 0.447 176 G N -0.560 108.300 108.800 0.099 0.000 2.160 176 G HA2 -0.281 3.692 3.960 0.023 0.000 0.251 176 G HA3 -0.281 3.692 3.960 0.023 0.000 0.251 176 G C 0.347 175.238 174.900 -0.014 0.000 1.008 176 G CA -0.036 45.041 45.100 -0.037 0.000 0.724 176 G HN 0.345 nan 8.290 nan 0.000 0.514 177 C N 0.176 119.524 119.300 0.079 0.000 2.611 177 C HA 0.213 4.687 4.460 0.023 0.000 0.416 177 C C 2.273 177.264 174.990 0.001 0.000 1.366 177 C CA 0.696 59.751 59.018 0.062 0.000 1.761 177 C CB 0.895 28.737 27.740 0.170 0.000 2.619 177 C HN 0.681 nan 8.230 nan 0.000 0.606 178 K N 1.201 121.508 120.400 -0.155 0.000 2.103 178 K HA -0.135 4.199 4.320 0.023 0.000 0.207 178 K C -0.351 175.971 176.600 -0.463 0.000 1.048 178 K CA 1.625 57.670 56.287 -0.403 0.000 0.930 178 K CB 0.028 32.125 32.500 -0.672 0.000 0.716 178 K HN 0.740 nan 8.250 nan 0.000 0.444 179 Y N -0.510 119.767 120.300 -0.037 0.000 2.446 179 Y HA 0.305 4.868 4.550 0.022 0.000 0.345 179 Y C -0.546 175.368 175.900 0.022 0.000 0.984 179 Y CA -1.449 56.577 58.100 -0.124 0.000 1.058 179 Y CB 1.475 39.865 38.460 -0.116 0.000 1.220 179 Y HN 0.004 nan 8.280 nan 0.000 0.455 180 Y N -1.217 119.193 120.300 0.183 0.000 2.581 180 Y HA 0.880 5.442 4.550 0.021 0.000 0.345 180 Y C -0.531 175.409 175.900 0.067 0.000 1.036 180 Y CA -1.306 56.871 58.100 0.128 0.000 1.042 180 Y CB 1.757 40.295 38.460 0.130 0.000 1.289 180 Y HN 0.540 nan 8.280 nan 0.000 0.471 181 S N -0.820 115.024 115.700 0.240 0.000 3.144 181 S HA 0.321 4.804 4.470 0.023 0.000 0.325 181 S C 0.959 175.502 174.600 -0.095 0.000 1.161 181 S CA -0.053 58.121 58.200 -0.042 0.000 0.920 181 S CB 0.542 63.663 63.200 -0.132 0.000 1.340 181 S HN 1.073 nan 8.310 nan 0.000 0.681 182 T N 0.734 115.082 114.554 -0.344 0.000 2.803 182 T HA -0.053 4.311 4.350 0.023 0.000 0.269 182 T C 1.842 176.489 174.700 -0.088 0.000 1.052 182 T CA 1.677 63.487 62.100 -0.483 0.000 1.136 182 T CB -1.063 67.363 68.868 -0.736 0.000 0.864 182 T HN 0.772 nan 8.240 nan 0.000 0.467 183 A N 1.950 124.767 122.820 -0.005 0.000 2.032 183 A HA -0.022 4.312 4.320 0.023 0.000 0.221 183 A C 2.741 180.424 177.584 0.166 0.000 1.165 183 A CA 2.037 54.132 52.037 0.097 0.000 0.645 183 A CB -1.262 17.782 19.000 0.074 0.000 0.807 183 A HN 0.921 nan 8.150 nan 0.000 0.453 184 V N -2.021 117.976 119.914 0.139 0.000 2.407 184 V HA -0.217 3.917 4.120 0.023 0.000 0.248 184 V C 1.723 177.950 176.094 0.222 0.000 1.055 184 V CA 2.500 64.885 62.300 0.142 0.000 1.049 184 V CB -0.792 31.040 31.823 0.014 0.000 0.662 184 V HN 0.415 nan 8.190 nan 0.000 0.455 185 D N 0.356 120.895 120.400 0.232 0.000 2.183 185 D HA -0.009 4.645 4.640 0.023 0.000 0.203 185 D C 2.230 178.665 176.300 0.225 0.000 0.969 185 D CA 1.276 55.422 54.000 0.243 0.000 0.842 185 D CB -0.055 40.940 40.800 0.324 0.000 0.957 185 D HN 0.418 nan 8.370 nan 0.000 0.484 186 I N 0.462 121.182 120.570 0.250 0.000 2.252 186 I HA -0.219 3.965 4.170 0.023 0.000 0.245 186 I C 2.391 178.637 176.117 0.216 0.000 1.102 186 I CA 0.727 62.148 61.300 0.203 0.000 1.385 186 I CB -0.900 37.215 38.000 0.192 0.000 1.064 186 I HN 0.274 nan 8.210 nan 0.000 0.414 187 W N 2.248 123.612 121.300 0.108 0.000 2.317 187 W HA -0.278 4.397 4.660 0.025 0.000 0.318 187 W C 2.634 179.251 176.519 0.164 0.000 1.227 187 W CA 2.162 59.578 57.345 0.119 0.000 1.269 187 W CB -0.426 29.091 29.460 0.095 0.000 1.155 187 W HN 0.111 nan 8.180 nan 0.000 0.484 188 S N 1.394 117.333 115.700 0.399 0.000 2.359 188 S HA -0.247 4.237 4.470 0.023 0.000 0.223 188 S C 1.957 176.663 174.600 0.176 0.000 1.039 188 S CA 1.908 60.302 58.200 0.324 0.000 1.042 188 S CB -0.962 62.390 63.200 0.254 0.000 0.915 188 S HN 0.290 nan 8.310 nan 0.000 0.439 189 L N 0.905 122.193 121.223 0.109 0.000 2.131 189 L HA -0.085 4.268 4.340 0.023 0.000 0.210 189 L C 2.754 179.681 176.870 0.096 0.000 1.092 189 L CA 1.152 56.036 54.840 0.074 0.000 0.759 189 L CB -1.265 40.822 42.059 0.045 0.000 0.903 189 L HN 0.453 nan 8.230 nan 0.000 0.435 190 G N -0.587 108.237 108.800 0.041 0.000 2.440 190 G HA2 -0.251 3.723 3.960 0.023 0.000 0.218 190 G HA3 -0.251 3.723 3.960 0.023 0.000 0.218 190 G C 1.634 176.498 174.900 -0.060 0.000 1.154 190 G CA 0.951 46.048 45.100 -0.004 0.000 0.767 190 G HN 0.400 nan 8.290 nan 0.000 0.552 191 C N 0.289 119.529 119.300 -0.101 0.000 2.429 191 C HA 0.017 4.491 4.460 0.023 0.000 0.277 191 C C 2.839 177.892 174.990 0.105 0.000 1.262 191 C CA 0.544 59.536 59.018 -0.044 0.000 1.733 191 C CB -1.019 26.800 27.740 0.131 0.000 2.010 191 C HN 0.475 nan 8.230 nan 0.000 0.483 192 I N 0.045 120.733 120.570 0.196 0.000 2.226 192 I HA -0.191 3.993 4.170 0.023 0.000 0.245 192 I C 2.431 178.675 176.117 0.211 0.000 1.100 192 I CA 1.343 62.755 61.300 0.186 0.000 1.374 192 I CB -0.549 37.512 38.000 0.101 0.000 1.057 192 I HN 0.229 nan 8.210 nan 0.000 0.413 193 F N 2.190 122.148 119.950 0.013 0.000 2.043 193 F HA -0.317 4.223 4.527 0.022 0.000 0.297 193 F C 2.517 178.292 175.800 -0.042 0.000 1.121 193 F CA 1.528 59.527 58.000 -0.001 0.000 1.199 193 F CB -1.088 37.883 39.000 -0.048 0.000 0.968 193 F HN 0.073 nan 8.300 nan 0.000 0.478 194 A N -0.171 122.562 122.820 -0.145 0.000 1.917 194 A HA -0.295 4.039 4.320 0.023 0.000 0.219 194 A C 2.288 179.776 177.584 -0.160 0.000 1.182 194 A CA 2.019 53.870 52.037 -0.310 0.000 0.633 194 A CB -1.168 17.599 19.000 -0.388 0.000 0.819 194 A HN 0.608 nan 8.150 nan 0.000 0.448 195 E N -0.777 119.392 120.200 -0.052 0.000 2.077 195 E HA -0.176 4.188 4.350 0.023 0.000 0.193 195 E C 2.086 178.722 176.600 0.060 0.000 0.989 195 E CA 1.276 57.680 56.400 0.008 0.000 0.800 195 E CB -0.197 29.564 29.700 0.102 0.000 0.746 195 E HN 0.666 nan 8.360 nan 0.000 0.452 196 M N 0.008 119.685 119.600 0.128 0.000 2.108 196 M HA -0.177 4.317 4.480 0.023 0.000 0.261 196 M C 2.271 178.638 176.300 0.111 0.000 1.066 196 M CA 1.114 56.518 55.300 0.174 0.000 1.107 196 M CB -0.076 32.690 32.600 0.278 0.000 1.356 196 M HN 0.113 nan 8.290 nan 0.000 0.406 197 V N -0.090 119.858 119.914 0.058 0.000 2.379 197 V HA -0.196 3.937 4.120 0.023 0.000 0.245 197 V C 2.510 178.577 176.094 -0.045 0.000 1.044 197 V CA 2.248 64.544 62.300 -0.006 0.000 1.036 197 V CB -1.108 30.655 31.823 -0.100 0.000 0.664 197 V HN 0.638 nan 8.190 nan 0.000 0.453 198 T N -3.562 110.948 114.554 -0.073 0.000 3.037 198 T HA 0.081 4.445 4.350 0.023 0.000 0.252 198 T C 1.238 175.904 174.700 -0.057 0.000 1.073 198 T CA 0.340 62.388 62.100 -0.088 0.000 1.091 198 T CB -0.032 68.752 68.868 -0.140 0.000 0.935 198 T HN 0.353 nan 8.240 nan 0.000 0.488 199 R N 0.671 121.156 120.500 -0.025 0.000 3.951 199 R HA -0.146 4.208 4.340 0.023 0.000 0.352 199 R C -0.088 176.206 176.300 -0.009 0.000 1.178 199 R CA 1.232 57.331 56.100 -0.000 0.000 0.949 199 R CB -1.557 28.738 30.300 -0.008 0.000 1.452 199 R HN 0.824 nan 8.270 nan 0.000 0.540 200 R N -0.919 119.554 120.500 -0.046 0.000 2.725 200 R HA 0.758 5.112 4.340 0.023 0.000 0.277 200 R C -0.745 175.482 176.300 -0.122 0.000 0.987 200 R CA -0.352 55.704 56.100 -0.074 0.000 0.901 200 R CB 1.625 31.857 30.300 -0.114 0.000 1.207 200 R HN 0.046 nan 8.270 nan 0.000 0.463 201 A N 2.656 125.380 122.820 -0.159 0.000 2.511 201 A HA 0.101 4.435 4.320 0.023 0.000 0.242 201 A C 0.863 178.203 177.584 -0.407 0.000 1.069 201 A CA -0.577 51.312 52.037 -0.247 0.000 0.763 201 A CB 0.305 19.045 19.000 -0.433 0.000 1.001 201 A HN 0.796 nan 8.150 nan 0.000 0.498 202 L N 2.151 123.096 121.223 -0.463 0.000 2.056 202 L HA 0.101 4.455 4.340 0.023 0.000 0.207 202 L C 0.107 176.468 176.870 -0.848 0.000 1.078 202 L CA 1.910 56.300 54.840 -0.749 0.000 0.749 202 L CB -0.328 41.124 42.059 -1.011 0.000 0.901 202 L HN 0.605 nan 8.230 nan 0.000 0.433 203 F N 0.862 120.598 119.950 -0.357 0.000 2.660 203 F HA 0.401 4.942 4.527 0.023 0.000 0.352 203 F C -2.165 173.275 175.800 -0.600 0.000 1.257 203 F CA -2.725 55.069 58.000 -0.344 0.000 1.200 203 F CB 0.327 39.235 39.000 -0.154 0.000 1.473 203 F HN 0.002 nan 8.300 nan 0.000 0.561 204 P HA 0.199 nan 4.420 nan 0.000 0.225 204 P C 0.592 177.521 177.300 -0.620 0.000 1.830 204 P CA 0.214 62.414 63.100 -1.500 0.000 1.051 204 P CB 0.557 31.382 31.700 -1.458 0.000 1.929 205 G N 1.160 109.827 108.800 -0.222 0.000 2.599 205 G HA2 0.136 4.110 3.960 0.023 0.000 0.264 205 G HA3 0.136 4.110 3.960 0.023 0.000 0.264 205 G C 0.220 175.245 174.900 0.208 0.000 1.200 205 G CA -0.316 44.791 45.100 0.013 0.000 0.896 205 G HN 0.193 nan 8.290 nan 0.000 0.536 206 D N -1.275 119.191 120.400 0.111 0.000 2.469 206 D HA 0.169 4.823 4.640 0.023 0.000 0.213 206 D C 0.812 177.145 176.300 0.055 0.000 1.135 206 D CA 0.451 54.524 54.000 0.121 0.000 0.834 206 D CB 0.754 41.608 40.800 0.090 0.000 1.009 206 D HN 0.451 nan 8.370 nan 0.000 0.507 207 S N -1.270 114.440 115.700 0.017 0.000 2.615 207 S HA 0.287 4.771 4.470 0.023 0.000 0.269 207 S C 0.671 175.236 174.600 -0.059 0.000 1.161 207 S CA -0.730 57.457 58.200 -0.023 0.000 0.817 207 S CB 2.187 65.359 63.200 -0.046 0.000 1.131 207 S HN -0.187 nan 8.310 nan 0.000 0.467 208 E N -0.110 120.049 120.200 -0.068 0.000 2.085 208 E HA -0.124 4.240 4.350 0.023 0.000 0.194 208 E C 1.579 178.055 176.600 -0.205 0.000 0.994 208 E CA 1.449 57.792 56.400 -0.094 0.000 0.801 208 E CB -0.259 29.412 29.700 -0.047 0.000 0.743 208 E HN 0.564 nan 8.360 nan 0.000 0.453 209 I N 1.505 121.916 120.570 -0.265 0.000 2.286 209 I HA -0.211 3.973 4.170 0.023 0.000 0.245 209 I C 1.913 177.624 176.117 -0.678 0.000 1.104 209 I CA 1.426 62.408 61.300 -0.531 0.000 1.397 209 I CB -0.106 37.595 38.000 -0.498 0.000 1.072 209 I HN -0.024 nan 8.210 nan 0.000 0.417 210 D N -0.337 119.839 120.400 -0.374 0.000 2.097 210 D HA -0.286 4.368 4.640 0.023 0.000 0.195 210 D C 2.148 178.319 176.300 -0.214 0.000 0.989 210 D CA 1.528 55.389 54.000 -0.232 0.000 0.827 210 D CB -0.174 40.564 40.800 -0.104 0.000 0.966 210 D HN 0.349 nan 8.370 nan 0.000 0.456 211 Q N 0.049 119.736 119.800 -0.187 0.000 2.045 211 Q HA -0.120 4.234 4.340 0.023 0.000 0.206 211 Q C 2.373 178.188 176.000 -0.309 0.000 0.991 211 Q CA 1.546 57.249 55.803 -0.168 0.000 0.851 211 Q CB -0.643 28.043 28.738 -0.085 0.000 0.911 211 Q HN 0.438 nan 8.270 nan 0.000 0.418 212 L N -0.728 120.237 121.223 -0.430 0.000 2.013 212 L HA -0.208 4.146 4.340 0.023 0.000 0.212 212 L C 2.209 178.555 176.870 -0.874 0.000 1.073 212 L CA 1.202 55.613 54.840 -0.716 0.000 0.753 212 L CB -0.495 41.075 42.059 -0.815 0.000 0.890 212 L HN 0.286 nan 8.230 nan 0.000 0.432 213 F N 0.046 119.568 119.950 -0.714 0.000 2.186 213 F HA -0.123 4.419 4.527 0.025 0.000 0.299 213 F C 2.692 178.148 175.800 -0.573 0.000 1.090 213 F CA 0.979 58.642 58.000 -0.562 0.000 1.307 213 F CB -0.932 37.924 39.000 -0.240 0.000 1.019 213 F HN 0.019 nan 8.300 nan 0.000 0.489 214 R N 0.155 120.517 120.500 -0.231 0.000 2.081 214 R HA -0.144 4.210 4.340 0.023 0.000 0.235 214 R C 2.266 178.454 176.300 -0.186 0.000 1.131 214 R CA 1.520 57.506 56.100 -0.190 0.000 0.960 214 R CB -0.558 29.691 30.300 -0.086 0.000 0.856 214 R HN 0.260 nan 8.270 nan 0.000 0.436 215 I N 0.105 120.432 120.570 -0.406 0.000 2.142 215 I HA -0.281 3.903 4.170 0.023 0.000 0.240 215 I C 1.872 178.043 176.117 0.090 0.000 1.078 215 I CA 1.193 62.178 61.300 -0.526 0.000 1.343 215 I CB -0.326 37.364 38.000 -0.516 0.000 1.046 215 I HN 0.033 nan 8.210 nan 0.000 0.405 216 F N 1.315 121.277 119.950 0.019 0.000 2.161 216 F HA -0.164 4.377 4.527 0.023 0.000 0.300 216 F C 2.625 178.432 175.800 0.012 0.000 1.089 216 F CA 1.216 59.313 58.000 0.161 0.000 1.282 216 F CB -1.213 37.962 39.000 0.293 0.000 1.010 216 F HN 0.047 nan 8.300 nan 0.000 0.485 217 R N -0.762 119.623 120.500 -0.191 0.000 2.189 217 R HA -0.063 4.291 4.340 0.023 0.000 0.218 217 R C 1.902 178.143 176.300 -0.097 0.000 1.074 217 R CA 1.577 57.418 56.100 -0.432 0.000 0.991 217 R CB -0.566 29.253 30.300 -0.803 0.000 0.883 217 R HN 0.250 nan 8.270 nan 0.000 0.457 218 T N 0.598 115.177 114.554 0.042 0.000 2.953 218 T HA 0.114 4.478 4.350 0.023 0.000 0.247 218 T C 1.656 176.449 174.700 0.156 0.000 1.029 218 T CA 0.609 62.771 62.100 0.103 0.000 1.144 218 T CB 0.197 69.232 68.868 0.278 0.000 0.870 218 T HN 0.096 nan 8.240 nan 0.000 0.446 219 L N 0.434 121.811 121.223 0.257 0.000 2.640 219 L HA 0.411 4.765 4.340 0.023 0.000 0.230 219 L C 1.065 178.177 176.870 0.403 0.000 1.123 219 L CA -0.275 54.750 54.840 0.309 0.000 0.900 219 L CB -0.166 42.017 42.059 0.206 0.000 1.146 219 L HN 0.444 nan 8.230 nan 0.000 0.484 220 G N 0.406 109.427 108.800 0.367 0.000 2.719 220 G HA2 -0.190 3.784 3.960 0.023 0.000 0.686 220 G HA3 -0.190 3.784 3.960 0.023 0.000 0.686 220 G C -0.292 174.769 174.900 0.268 0.000 1.201 220 G CA -0.857 44.432 45.100 0.315 0.000 0.768 220 G HN -0.063 nan 8.290 nan 0.000 0.629 221 T N 4.724 119.336 114.554 0.098 0.000 2.834 221 T HA 0.495 4.859 4.350 0.023 0.000 0.298 221 T C -1.402 173.091 174.700 -0.346 0.000 0.966 221 T CA 0.070 61.954 62.100 -0.360 0.000 1.141 221 T CB 1.206 69.931 68.868 -0.239 0.000 0.905 221 T HN 0.636 nan 8.240 nan 0.000 0.535 222 P HA 0.279 nan 4.420 nan 0.000 0.275 222 P C -0.860 176.324 177.300 -0.194 0.000 1.227 222 P CA -0.449 62.396 63.100 -0.424 0.000 0.781 222 P CB 0.891 32.186 31.700 -0.674 0.000 0.906 223 D N 0.923 121.267 120.400 -0.093 0.000 2.689 223 D HA 0.166 4.820 4.640 0.023 0.000 0.255 223 D C 0.900 177.162 176.300 -0.064 0.000 1.113 223 D CA -0.558 53.391 54.000 -0.084 0.000 1.115 223 D CB 0.245 41.019 40.800 -0.043 0.000 1.334 223 D HN 0.103 nan 8.370 nan 0.000 0.621 224 E N -0.538 119.612 120.200 -0.083 0.000 2.204 224 E HA -0.056 4.308 4.350 0.023 0.000 0.195 224 E C 2.027 178.639 176.600 0.020 0.000 0.990 224 E CA 0.607 56.972 56.400 -0.058 0.000 0.821 224 E CB -0.218 29.436 29.700 -0.077 0.000 0.750 224 E HN 0.358 nan 8.360 nan 0.000 0.477 225 V N 0.604 120.536 119.914 0.030 0.000 2.307 225 V HA -0.157 3.977 4.120 0.023 0.000 0.245 225 V C 2.429 178.589 176.094 0.110 0.000 1.045 225 V CA 1.491 63.826 62.300 0.059 0.000 1.024 225 V CB -0.519 31.331 31.823 0.044 0.000 0.651 225 V HN 0.120 nan 8.190 nan 0.000 0.449 226 V N -1.672 118.318 119.914 0.127 0.000 2.591 226 V HA -0.037 4.096 4.120 0.023 0.000 0.249 226 V C 0.498 176.785 176.094 0.322 0.000 1.053 226 V CA 1.104 63.518 62.300 0.190 0.000 1.068 226 V CB 0.379 32.299 31.823 0.163 0.000 0.689 226 V HN 0.740 nan 8.190 nan 0.000 0.462 227 W N 2.272 123.600 121.300 0.046 0.000 2.258 227 W HA 0.490 5.163 4.660 0.021 0.000 0.287 227 W C -3.143 173.377 176.519 0.002 0.000 1.024 227 W CA -3.361 54.020 57.345 0.060 0.000 1.377 227 W CB 0.456 29.942 29.460 0.043 0.000 1.351 227 W HN 0.099 nan 8.180 nan 0.000 0.334 228 P HA 0.201 nan 4.420 nan 0.000 0.261 228 P C 0.922 178.219 177.300 -0.005 0.000 1.183 228 P CA 2.675 65.835 63.100 0.100 0.000 0.761 228 P CB 0.712 32.484 31.700 0.119 0.000 0.785 229 G N 1.951 110.664 108.800 -0.146 0.000 2.241 229 G HA2 -0.330 3.644 3.960 0.023 0.000 0.244 229 G HA3 -0.330 3.644 3.960 0.023 0.000 0.244 229 G C 1.102 175.722 174.900 -0.466 0.000 0.998 229 G CA 0.152 45.112 45.100 -0.233 0.000 0.621 229 G HN 0.492 nan 8.290 nan 0.000 0.519 230 V N 1.916 121.400 119.914 -0.716 0.000 2.317 230 V HA -0.206 3.928 4.120 0.023 0.000 0.251 230 V C 3.098 178.655 176.094 -0.895 0.000 1.065 230 V CA 4.144 65.851 62.300 -0.988 0.000 1.049 230 V CB -0.531 30.675 31.823 -1.029 0.000 0.651 230 V HN 1.224 nan 8.190 nan 0.000 0.450 231 T N -3.637 110.367 114.554 -0.917 0.000 3.113 231 T HA -0.018 4.346 4.350 0.023 0.000 0.263 231 T C 1.463 175.830 174.700 -0.555 0.000 1.143 231 T CA 1.280 62.682 62.100 -1.165 0.000 1.090 231 T CB -0.114 68.251 68.868 -0.837 0.000 0.922 231 T HN 0.485 nan 8.240 nan 0.000 0.521 232 S N 0.587 116.057 115.700 -0.383 0.000 2.540 232 S HA 0.410 4.894 4.470 0.023 0.000 0.218 232 S C 0.614 175.118 174.600 -0.160 0.000 0.977 232 S CA -0.424 57.650 58.200 -0.209 0.000 0.918 232 S CB -0.188 62.910 63.200 -0.169 0.000 0.806 232 S HN 0.512 nan 8.310 nan 0.000 0.496 233 M N 2.122 121.605 119.600 -0.194 0.000 2.245 233 M HA 0.136 4.630 4.480 0.023 0.000 0.344 233 M C -1.686 174.596 176.300 -0.031 0.000 1.170 233 M CA -1.603 53.629 55.300 -0.113 0.000 1.135 233 M CB -0.108 32.403 32.600 -0.148 0.000 1.574 233 M HN -0.134 nan 8.290 nan 0.000 0.452 234 P HA -0.191 nan 4.420 nan 0.000 0.216 234 P C 0.171 177.466 177.300 -0.010 0.000 1.157 234 P CA 1.468 64.546 63.100 -0.036 0.000 0.880 234 P CB 0.160 31.823 31.700 -0.062 0.000 0.791 235 D N -3.399 117.020 120.400 0.031 0.000 2.424 235 D HA 0.045 4.699 4.640 0.023 0.000 0.220 235 D C 0.071 176.432 176.300 0.103 0.000 1.150 235 D CA -0.265 53.769 54.000 0.057 0.000 0.831 235 D CB -0.435 40.412 40.800 0.079 0.000 0.981 235 D HN 0.229 nan 8.370 nan 0.000 0.500 236 Y N 1.878 122.142 120.300 -0.059 0.000 2.359 236 Y HA 0.223 4.786 4.550 0.022 0.000 0.330 236 Y C -0.200 175.398 175.900 -0.502 0.000 1.143 236 Y CA -0.096 57.885 58.100 -0.198 0.000 1.318 236 Y CB 0.512 38.879 38.460 -0.156 0.000 1.234 236 Y HN -0.362 nan 8.280 nan 0.000 0.522 237 K N 7.811 127.088 120.400 -1.873 0.000 2.345 237 K HA 0.318 4.651 4.320 0.023 0.000 0.255 237 K C -2.188 173.651 176.600 -1.270 0.000 0.934 237 K CA -1.867 53.683 56.287 -1.228 0.000 0.801 237 K CB 1.834 33.781 32.500 -0.921 0.000 1.137 237 K HN 0.335 nan 8.250 nan 0.000 0.424 238 P HA -0.221 nan 4.420 nan 0.000 0.219 238 P C 0.814 177.991 177.300 -0.205 0.000 1.146 238 P CA 1.167 64.148 63.100 -0.198 0.000 0.808 238 P CB 0.186 31.848 31.700 -0.063 0.000 0.779 239 S N -2.278 113.287 115.700 -0.225 0.000 2.555 239 S HA -0.063 4.421 4.470 0.023 0.000 0.230 239 S C 0.717 175.320 174.600 0.005 0.000 0.978 239 S CA -0.104 58.037 58.200 -0.098 0.000 0.934 239 S CB -1.254 61.913 63.200 -0.055 0.000 0.766 239 S HN -0.152 nan 8.310 nan 0.000 0.533 240 F N 3.744 123.607 119.950 -0.145 0.000 2.623 240 F HA 0.274 4.814 4.527 0.022 0.000 0.386 240 F C -1.999 173.639 175.800 -0.269 0.000 1.068 240 F CA -2.521 55.424 58.000 -0.093 0.000 1.265 240 F CB -0.857 38.115 39.000 -0.046 0.000 1.026 240 F HN 0.095 nan 8.300 nan 0.000 0.568 241 P HA 0.016 nan 4.420 nan 0.000 0.266 241 P C -0.792 176.115 177.300 -0.656 0.000 1.195 241 P CA 0.037 62.672 63.100 -0.775 0.000 0.768 241 P CB 0.360 31.083 31.700 -1.629 0.000 0.838 242 K N 3.000 123.099 120.400 -0.502 0.000 2.290 242 K HA 0.193 4.527 4.320 0.023 0.000 0.250 242 K C -0.415 176.052 176.600 -0.221 0.000 1.092 242 K CA -0.327 55.805 56.287 -0.258 0.000 1.006 242 K CB 0.515 32.931 32.500 -0.139 0.000 1.549 242 K HN 0.483 nan 8.250 nan 0.000 0.436 243 W N 1.389 122.672 121.300 -0.028 0.000 2.261 243 W HA 0.262 4.935 4.660 0.022 0.000 0.323 243 W C 0.615 177.147 176.519 0.022 0.000 1.243 243 W CA -0.933 56.416 57.345 0.005 0.000 1.210 243 W CB 0.822 30.308 29.460 0.043 0.000 1.149 243 W HN 0.449 nan 8.180 nan 0.000 0.562 244 A N 3.624 126.600 122.820 0.260 0.000 2.351 244 A HA 0.335 4.669 4.320 0.023 0.000 0.257 244 A C 0.280 177.976 177.584 0.186 0.000 1.087 244 A CA -0.506 51.633 52.037 0.170 0.000 0.798 244 A CB 0.273 19.345 19.000 0.120 0.000 1.033 244 A HN 0.680 nan 8.150 nan 0.000 0.488 245 R N 1.599 122.194 120.500 0.158 0.000 2.442 245 R HA 0.141 4.495 4.340 0.023 0.000 0.291 245 R C -0.077 176.300 176.300 0.128 0.000 1.069 245 R CA -0.006 56.193 56.100 0.166 0.000 1.022 245 R CB 0.265 30.665 30.300 0.166 0.000 0.976 245 R HN 0.851 nan 8.270 nan 0.000 0.443 246 Q N 2.147 122.015 119.800 0.113 0.000 2.373 246 Q HA -0.046 4.308 4.340 0.023 0.000 0.255 246 Q C -0.585 175.465 176.000 0.085 0.000 0.980 246 Q CA -0.090 55.751 55.803 0.064 0.000 0.882 246 Q CB 0.839 29.578 28.738 0.001 0.000 1.249 246 Q HN 0.579 nan 8.270 nan 0.000 0.438 247 D N 1.562 121.998 120.400 0.059 0.000 2.581 247 D HA -0.166 4.488 4.640 0.023 0.000 0.238 247 D C 0.114 176.454 176.300 0.067 0.000 1.145 247 D CA 0.543 54.585 54.000 0.071 0.000 0.866 247 D CB 0.307 41.129 40.800 0.036 0.000 1.151 247 D HN 0.468 nan 8.370 nan 0.000 0.500 248 F N 2.655 122.587 119.950 -0.030 0.000 2.333 248 F HA -0.168 4.373 4.527 0.022 0.000 0.300 248 F C 2.522 178.274 175.800 -0.080 0.000 1.083 248 F CA 1.505 59.471 58.000 -0.057 0.000 1.395 248 F CB -0.042 38.923 39.000 -0.059 0.000 1.056 248 F HN 0.500 nan 8.300 nan 0.000 0.529 249 S N -1.265 114.465 115.700 0.049 0.000 2.507 249 S HA -0.144 4.340 4.470 0.023 0.000 0.235 249 S C 1.771 176.307 174.600 -0.106 0.000 0.988 249 S CA 0.772 58.957 58.200 -0.025 0.000 0.944 249 S CB -0.275 62.927 63.200 0.004 0.000 0.762 249 S HN 0.228 nan 8.310 nan 0.000 0.526 250 K N 0.876 121.198 120.400 -0.131 0.000 2.361 250 K HA 0.337 4.671 4.320 0.023 0.000 0.196 250 K C 1.734 178.194 176.600 -0.233 0.000 1.039 250 K CA 0.375 56.573 56.287 -0.147 0.000 1.001 250 K CB -0.253 32.187 32.500 -0.100 0.000 0.795 250 K HN 0.278 nan 8.250 nan 0.000 0.495 251 V N -0.224 119.464 119.914 -0.376 0.000 2.307 251 V HA -0.071 4.063 4.120 0.023 0.000 0.245 251 V C 0.745 176.582 176.094 -0.427 0.000 1.045 251 V CA 1.023 63.027 62.300 -0.493 0.000 1.024 251 V CB -0.024 31.271 31.823 -0.881 0.000 0.651 251 V HN -0.100 nan 8.190 nan 0.000 0.449 252 V N 1.147 120.817 119.914 -0.406 0.000 2.383 252 V HA 0.260 4.394 4.120 0.023 0.000 0.264 252 V C -1.778 174.182 176.094 -0.224 0.000 1.001 252 V CA -0.839 61.268 62.300 -0.321 0.000 0.828 252 V CB 1.067 32.657 31.823 -0.389 0.000 1.069 252 V HN 0.323 nan 8.190 nan 0.000 0.451 253 P HA -0.087 nan 4.420 nan 0.000 0.216 253 P C -1.252 175.992 177.300 -0.093 0.000 1.153 253 P CA 1.458 64.486 63.100 -0.120 0.000 0.858 253 P CB -0.625 31.012 31.700 -0.104 0.000 0.789 254 P HA 0.044 nan 4.420 nan 0.000 0.245 254 P C 0.076 177.344 177.300 -0.052 0.000 1.212 254 P CA 0.225 63.287 63.100 -0.063 0.000 0.774 254 P CB -0.124 31.541 31.700 -0.058 0.000 0.999 255 L N 1.888 123.059 121.223 -0.085 0.000 2.367 255 L HA 0.169 4.523 4.340 0.023 0.000 0.275 255 L C 0.487 177.343 176.870 -0.023 0.000 1.129 255 L CA -0.604 54.190 54.840 -0.076 0.000 0.839 255 L CB -0.030 41.916 42.059 -0.188 0.000 1.133 255 L HN -0.044 nan 8.230 nan 0.000 0.453 256 D N 1.535 121.955 120.400 0.033 0.000 2.384 256 D HA -0.004 4.650 4.640 0.023 0.000 0.244 256 D C 0.880 177.213 176.300 0.055 0.000 1.251 256 D CA -0.043 53.992 54.000 0.059 0.000 0.961 256 D CB 0.356 41.220 40.800 0.107 0.000 1.116 256 D HN 0.671 nan 8.370 nan 0.000 0.484 257 E N -0.583 119.654 120.200 0.062 0.000 2.085 257 E HA -0.281 4.082 4.350 0.023 0.000 0.194 257 E C 1.013 177.666 176.600 0.088 0.000 0.994 257 E CA 1.561 57.997 56.400 0.061 0.000 0.801 257 E CB 0.004 29.737 29.700 0.055 0.000 0.743 257 E HN 0.457 nan 8.360 nan 0.000 0.453 258 D N -0.468 120.021 120.400 0.148 0.000 2.117 258 D HA -0.098 4.556 4.640 0.023 0.000 0.198 258 D C 1.867 178.235 176.300 0.113 0.000 0.982 258 D CA 1.284 55.435 54.000 0.252 0.000 0.828 258 D CB -0.693 40.308 40.800 0.335 0.000 0.967 258 D HN 0.377 nan 8.370 nan 0.000 0.464 259 G N 0.923 109.718 108.800 -0.008 0.000 2.446 259 G HA2 -0.295 3.679 3.960 0.023 0.000 0.217 259 G HA3 -0.295 3.679 3.960 0.023 0.000 0.217 259 G C 1.731 176.465 174.900 -0.277 0.000 1.168 259 G CA 0.506 45.339 45.100 -0.445 0.000 0.771 259 G HN 0.234 nan 8.290 nan 0.000 0.551 260 R N 0.136 120.567 120.500 -0.116 0.000 2.092 260 R HA -0.004 4.350 4.340 0.023 0.000 0.231 260 R C 2.929 179.170 176.300 -0.098 0.000 1.119 260 R CA 1.194 57.281 56.100 -0.021 0.000 0.970 260 R CB -0.516 29.836 30.300 0.087 0.000 0.864 260 R HN 0.417 nan 8.270 nan 0.000 0.440 261 S N 1.264 116.929 115.700 -0.059 0.000 2.353 261 S HA -0.168 4.316 4.470 0.023 0.000 0.222 261 S C 1.943 176.479 174.600 -0.106 0.000 1.035 261 S CA 1.346 59.532 58.200 -0.022 0.000 1.025 261 S CB -0.230 63.083 63.200 0.189 0.000 0.902 261 S HN 0.234 nan 8.310 nan 0.000 0.440 262 L N 1.341 122.351 121.223 -0.356 0.000 2.017 262 L HA 0.046 4.400 4.340 0.023 0.000 0.208 262 L C 2.248 179.030 176.870 -0.147 0.000 1.073 262 L CA 1.883 56.417 54.840 -0.510 0.000 0.745 262 L CB -1.098 40.436 42.059 -0.875 0.000 0.894 262 L HN 0.469 nan 8.230 nan 0.000 0.432 263 L N -0.325 120.867 121.223 -0.051 0.000 2.013 263 L HA -0.235 4.119 4.340 0.023 0.000 0.212 263 L C 2.830 179.657 176.870 -0.071 0.000 1.073 263 L CA 2.305 57.150 54.840 0.009 0.000 0.753 263 L CB -1.044 40.957 42.059 -0.098 0.000 0.890 263 L HN 0.648 nan 8.230 nan 0.000 0.432 264 S N -1.554 113.950 115.700 -0.326 0.000 2.400 264 S HA -0.273 4.211 4.470 0.023 0.000 0.232 264 S C 1.858 176.322 174.600 -0.226 0.000 1.025 264 S CA 1.444 59.271 58.200 -0.621 0.000 0.993 264 S CB -0.646 61.944 63.200 -1.017 0.000 0.808 264 S HN 0.711 nan 8.310 nan 0.000 0.478 265 Q N 0.182 119.922 119.800 -0.099 0.000 2.187 265 Q HA 0.195 4.549 4.340 0.023 0.000 0.199 265 Q C 2.226 178.262 176.000 0.060 0.000 0.957 265 Q CA 1.177 56.998 55.803 0.030 0.000 0.857 265 Q CB -0.283 28.490 28.738 0.059 0.000 0.929 265 Q HN 0.632 nan 8.270 nan 0.000 0.453 266 M N -0.034 119.581 119.600 0.025 0.000 2.319 266 M HA -0.068 4.426 4.480 0.023 0.000 0.265 266 M C 1.175 177.478 176.300 0.006 0.000 1.068 266 M CA 1.127 56.452 55.300 0.041 0.000 1.118 266 M CB 0.243 32.866 32.600 0.038 0.000 1.395 266 M HN 0.131 nan 8.290 nan 0.000 0.435 267 L N -1.321 119.862 121.223 -0.067 0.000 2.741 267 L HA 0.177 4.531 4.340 0.023 0.000 0.237 267 L C 0.322 177.214 176.870 0.037 0.000 1.178 267 L CA -0.435 54.283 54.840 -0.204 0.000 0.973 267 L CB -0.698 41.170 42.059 -0.318 0.000 1.255 267 L HN 0.188 nan 8.230 nan 0.000 0.498 268 H N -1.166 117.913 119.070 0.016 0.000 2.928 268 H HA -0.079 4.491 4.556 0.023 0.000 0.338 268 H C 0.793 176.129 175.328 0.014 0.000 1.047 268 H CA 0.428 56.479 56.048 0.006 0.000 1.435 268 H CB 0.662 30.422 29.762 -0.003 0.000 1.428 268 H HN 0.039 nan 8.280 nan 0.000 0.590 269 Y N 1.461 121.802 120.300 0.068 0.000 2.145 269 Y HA -0.194 4.370 4.550 0.022 0.000 0.286 269 Y C 1.334 176.700 175.900 -0.890 0.000 1.145 269 Y CA 1.720 59.669 58.100 -0.253 0.000 1.148 269 Y CB -0.092 38.303 38.460 -0.109 0.000 0.981 269 Y HN 0.666 nan 8.280 nan 0.000 0.507 270 D N 0.254 120.457 120.400 -0.329 0.000 2.339 270 D HA 0.047 4.701 4.640 0.023 0.000 0.256 270 D C -2.000 174.109 176.300 -0.319 0.000 1.214 270 D CA -2.023 51.586 54.000 -0.653 0.000 0.877 270 D CB 1.315 42.034 40.800 -0.135 0.000 1.111 270 D HN 0.033 nan 8.370 nan 0.000 0.478 271 P HA -0.103 nan 4.420 nan 0.000 0.218 271 P C 0.851 178.125 177.300 -0.043 0.000 1.148 271 P CA 0.730 63.786 63.100 -0.073 0.000 0.822 271 P CB 0.314 32.032 31.700 0.029 0.000 0.784 272 N N -0.664 118.014 118.700 -0.036 0.000 2.309 272 N HA -0.106 4.648 4.740 0.023 0.000 0.182 272 N C 1.297 176.750 175.510 -0.095 0.000 1.018 272 N CA 1.077 54.108 53.050 -0.032 0.000 0.876 272 N CB -0.239 38.255 38.487 0.012 0.000 0.972 272 N HN 0.223 nan 8.380 nan 0.000 0.434 273 K N 0.419 120.689 120.400 -0.216 0.000 2.354 273 K HA 0.097 4.431 4.320 0.023 0.000 0.194 273 K C 0.702 177.093 176.600 -0.347 0.000 1.045 273 K CA -0.211 55.847 56.287 -0.381 0.000 1.026 273 K CB 0.645 32.652 32.500 -0.822 0.000 0.866 273 K HN 0.116 nan 8.250 nan 0.000 0.530 274 R N 1.814 122.194 120.500 -0.200 0.000 2.640 274 R HA 0.064 4.418 4.340 0.023 0.000 0.270 274 R C 0.145 176.453 176.300 0.014 0.000 1.024 274 R CA -0.019 56.072 56.100 -0.014 0.000 1.085 274 R CB 0.166 30.512 30.300 0.076 0.000 0.963 274 R HN 0.051 nan 8.270 nan 0.000 0.426 275 I N 3.088 123.691 120.570 0.056 0.000 2.754 275 I HA -0.055 4.128 4.170 0.023 0.000 0.285 275 I C 0.241 176.412 176.117 0.090 0.000 1.166 275 I CA 0.453 61.797 61.300 0.073 0.000 1.417 275 I CB 0.806 38.866 38.000 0.099 0.000 1.382 275 I HN 0.819 nan 8.210 nan 0.000 0.588 276 S N 5.691 121.446 115.700 0.092 0.000 2.632 276 S HA 0.441 4.925 4.470 0.023 0.000 0.271 276 S C 1.020 175.693 174.600 0.121 0.000 1.260 276 S CA -0.212 58.056 58.200 0.114 0.000 1.010 276 S CB 1.683 64.944 63.200 0.103 0.000 0.965 276 S HN 0.818 nan 8.310 nan 0.000 0.534 277 A N 1.656 124.558 122.820 0.136 0.000 1.940 277 A HA -0.112 4.221 4.320 0.023 0.000 0.219 277 A C 2.160 179.772 177.584 0.045 0.000 1.176 277 A CA 1.830 53.909 52.037 0.071 0.000 0.631 277 A CB -0.911 18.098 19.000 0.015 0.000 0.814 277 A HN 0.955 nan 8.150 nan 0.000 0.446 278 K N -0.377 120.063 120.400 0.067 0.000 2.026 278 K HA -0.094 4.240 4.320 0.023 0.000 0.208 278 K C 2.162 178.804 176.600 0.069 0.000 1.048 278 K CA 1.281 57.599 56.287 0.051 0.000 0.929 278 K CB -0.339 32.200 32.500 0.066 0.000 0.713 278 K HN 0.360 nan 8.250 nan 0.000 0.439 279 A N 0.922 123.796 122.820 0.091 0.000 1.930 279 A HA -0.054 4.280 4.320 0.023 0.000 0.217 279 A C 2.278 179.962 177.584 0.166 0.000 1.175 279 A CA 1.691 53.795 52.037 0.112 0.000 0.627 279 A CB -0.679 18.381 19.000 0.101 0.000 0.815 279 A HN 0.488 nan 8.150 nan 0.000 0.443 280 A N -0.071 122.855 122.820 0.177 0.000 1.972 280 A HA -0.052 4.282 4.320 0.023 0.000 0.219 280 A C 2.069 179.886 177.584 0.389 0.000 1.169 280 A CA 1.396 53.598 52.037 0.274 0.000 0.635 280 A CB -0.621 18.507 19.000 0.212 0.000 0.810 280 A HN 0.491 nan 8.150 nan 0.000 0.446 281 L N -1.025 120.311 121.223 0.188 0.000 2.129 281 L HA -0.215 4.139 4.340 0.023 0.000 0.212 281 L C 2.615 179.724 176.870 0.398 0.000 1.087 281 L CA 1.080 55.995 54.840 0.125 0.000 0.757 281 L CB -0.365 41.628 42.059 -0.110 0.000 0.896 281 L HN 0.438 nan 8.230 nan 0.000 0.434 282 A N -2.360 120.652 122.820 0.319 0.000 2.307 282 A HA -0.023 4.311 4.320 0.023 0.000 0.218 282 A C 0.770 178.531 177.584 0.296 0.000 1.228 282 A CA -0.201 52.002 52.037 0.276 0.000 0.857 282 A CB -0.668 18.432 19.000 0.166 0.000 0.897 282 A HN 0.294 nan 8.150 nan 0.000 0.495 283 H N 0.741 120.023 119.070 0.353 0.000 2.764 283 H HA 0.118 4.687 4.556 0.023 0.000 0.341 283 H C -1.747 173.701 175.328 0.200 0.000 1.072 283 H CA -1.297 54.899 56.048 0.246 0.000 1.444 283 H CB 1.247 31.140 29.762 0.217 0.000 1.458 283 H HN 0.021 nan 8.280 nan 0.000 0.572 284 P HA -0.207 nan 4.420 nan 0.000 0.218 284 P C 1.427 178.826 177.300 0.164 0.000 1.146 284 P CA 0.946 64.056 63.100 0.018 0.000 0.820 284 P CB -0.210 31.429 31.700 -0.101 0.000 0.778 285 F N -0.359 119.712 119.950 0.201 0.000 2.147 285 F HA -0.195 4.346 4.527 0.023 0.000 0.301 285 F C 1.456 177.076 175.800 -0.299 0.000 1.084 285 F CA 1.495 59.408 58.000 -0.144 0.000 1.268 285 F CB -0.733 37.988 39.000 -0.465 0.000 1.009 285 F HN -0.168 nan 8.300 nan 0.000 0.486 286 F N 1.004 120.982 119.950 0.047 0.000 2.732 286 F HA 0.061 4.602 4.527 0.023 0.000 0.303 286 F C 2.272 177.938 175.800 -0.223 0.000 1.110 286 F CA 0.290 58.170 58.000 -0.201 0.000 1.355 286 F CB -1.250 37.699 39.000 -0.086 0.000 1.081 286 F HN 0.159 nan 8.300 nan 0.000 0.565 287 Q N 0.772 120.569 119.800 -0.004 0.000 2.173 287 Q HA -0.237 4.116 4.340 0.023 0.000 0.208 287 Q C 0.300 176.252 176.000 -0.079 0.000 0.989 287 Q CA 2.072 57.860 55.803 -0.026 0.000 0.872 287 Q CB -0.720 28.009 28.738 -0.015 0.000 0.909 287 Q HN 0.449 nan 8.270 nan 0.000 0.420 288 D N 0.461 120.786 120.400 -0.125 0.000 2.559 288 D HA 0.140 4.793 4.640 0.023 0.000 0.234 288 D C 0.007 176.204 176.300 -0.173 0.000 1.226 288 D CA -0.528 53.393 54.000 -0.132 0.000 0.830 288 D CB 0.158 40.889 40.800 -0.115 0.000 1.028 288 D HN 0.086 nan 8.370 nan 0.000 0.492 289 V N 1.589 121.367 119.914 -0.226 0.000 2.655 289 V HA 0.349 4.483 4.120 0.023 0.000 0.300 289 V C 0.369 176.325 176.094 -0.228 0.000 1.044 289 V CA 0.672 62.809 62.300 -0.272 0.000 1.095 289 V CB 0.779 32.317 31.823 -0.475 0.000 0.952 289 V HN 0.583 nan 8.190 nan 0.000 0.485 290 T N 3.273 117.726 114.554 -0.169 0.000 2.858 290 T HA 0.486 4.850 4.350 0.023 0.000 0.285 290 T C -0.432 174.213 174.700 -0.092 0.000 1.052 290 T CA -0.862 61.167 62.100 -0.119 0.000 1.009 290 T CB 1.634 70.448 68.868 -0.090 0.000 1.241 290 T HN 0.640 nan 8.240 nan 0.000 0.542 291 K N 2.124 122.490 120.400 -0.057 0.000 2.682 291 K HA 0.336 4.670 4.320 0.023 0.000 0.189 291 K C -2.444 174.135 176.600 -0.034 0.000 1.062 291 K CA -1.757 54.511 56.287 -0.030 0.000 0.997 291 K CB 0.409 32.911 32.500 0.003 0.000 1.405 291 K HN 0.488 nan 8.250 nan 0.000 0.588 292 P HA 0.069 nan 4.420 nan 0.000 0.277 292 P C 0.170 177.449 177.300 -0.034 0.000 1.240 292 P CA -0.522 62.552 63.100 -0.044 0.000 0.798 292 P CB 1.206 32.872 31.700 -0.055 0.000 0.979 293 V N 3.848 123.755 119.914 -0.012 0.000 2.901 293 V HA 0.000 4.134 4.120 0.023 0.000 0.307 293 V C -1.703 174.405 176.094 0.024 0.000 1.084 293 V CA -0.591 61.710 62.300 0.000 0.000 1.184 293 V CB -0.470 31.355 31.823 0.003 0.000 0.941 293 V HN 0.667 nan 8.190 nan 0.000 0.493 294 P HA 0.076 nan 4.420 nan 0.000 0.268 294 P C 0.447 177.875 177.300 0.213 0.000 1.205 294 P CA 0.046 63.222 63.100 0.126 0.000 0.771 294 P CB 0.263 31.963 31.700 -0.000 0.000 0.858 295 H N 2.593 121.762 119.070 0.166 0.000 2.545 295 H HA 0.079 4.649 4.556 0.023 0.000 0.282 295 H C -0.071 175.329 175.328 0.119 0.000 1.020 295 H CA 0.691 56.808 56.048 0.116 0.000 1.243 295 H CB -0.348 29.468 29.762 0.089 0.000 1.377 295 H HN 0.260 nan 8.280 nan 0.000 0.581 296 L N 0.777 121.887 121.223 -0.188 0.000 2.323 296 L HA 0.429 4.783 4.340 0.023 0.000 0.265 296 L C 0.558 177.429 176.870 0.002 0.000 1.012 296 L CA -1.169 53.578 54.840 -0.155 0.000 0.820 296 L CB 2.542 44.454 42.059 -0.244 0.000 1.334 296 L HN -0.084 nan 8.230 nan 0.000 0.427 297 R N 0.952 121.451 120.500 -0.001 0.000 2.491 297 R HA 0.359 4.713 4.340 0.023 0.000 0.283 297 R C -0.758 175.573 176.300 0.052 0.000 1.072 297 R CA -0.500 55.613 56.100 0.021 0.000 1.048 297 R CB 0.651 30.962 30.300 0.018 0.000 0.983 297 R HN 0.269 nan 8.270 nan 0.000 0.450 298 L N 0.000 121.252 121.223 0.049 0.000 2.949 298 L HA 0.000 4.354 4.340 0.023 0.000 0.249 298 L CA 0.000 54.891 54.840 0.085 0.000 0.813 298 L CB 0.000 42.081 42.059 0.037 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502