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 5csc_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSTNLKDVL AALIPKEQAR IKTFRQQHGG TALGQITVDM SYGGMRGMKG DATA SEQUENCE LVYETSVLDP DEGIRFRGFS IPECQKLLPK GGXGGEPLPE GLFWLLVTGQ DATA SEQUENCE IPTGAQVSWL SKEWAKRAAL PSHVVTMLDN FPTNLHPMSQ LSAAITALNS DATA SEQUENCE ESNFARAYAE GILRTKYWEM VYESAMDLIA KLPCVAAKIY RNLYRAGSSI DATA SEQUENCE GAIDSKLDWS HNFTNMLGYT DAQFTELMRL YLTIHSDHEG GNVSAHTSHL DATA SEQUENCE VGSALSDPYL SFAAAMNGLA GPLHGLANQE VLGWLAQLQK AXXXAGADAS DATA SEQUENCE LRDYIWNTLN SGRVVPGYGH AVLRKTDPRY TCQREFALKH LPGDPMFKLV DATA SEQUENCE AQLYKIVPNV LLEQGAAANP WPNVDAHSGV LLQYYGMTEM NYYTVLFGVS DATA SEQUENCE RALGVLAQLI WSRALGFPLE RPKSMSTDGL IAL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 52.052 52.037 0.025 0.000 0.836 1 A CB 0.000 19.020 19.000 0.033 0.000 0.831 2 S N -1.037 114.686 115.700 0.038 0.000 2.587 2 S HA 0.894 5.363 4.470 -0.001 0.000 0.269 2 S C -0.593 174.048 174.600 0.068 0.000 1.154 2 S CA 0.482 58.702 58.200 0.033 0.000 0.824 2 S CB 0.929 64.136 63.200 0.013 0.000 1.118 2 S HN 2.713 nan 8.310 nan 0.000 0.462 3 S N -0.211 115.510 115.700 0.036 0.000 2.732 3 S HA 0.474 4.944 4.470 -0.001 0.000 0.276 3 S C -1.164 173.387 174.600 -0.082 0.000 0.917 3 S CA -0.420 57.795 58.200 0.025 0.000 0.985 3 S CB 0.034 63.286 63.200 0.086 0.000 1.244 3 S HN 1.819 nan 8.310 nan 0.000 0.458 4 T N 1.528 115.971 114.554 -0.185 0.000 2.885 4 T HA 0.545 4.894 4.350 -0.001 0.000 0.285 4 T C 0.913 175.367 174.700 -0.410 0.000 1.019 4 T CA -0.607 61.374 62.100 -0.199 0.000 1.010 4 T CB 1.232 70.058 68.868 -0.070 0.000 1.022 4 T HN 0.720 nan 8.240 nan 0.000 0.466 5 N N 1.101 119.648 118.700 -0.255 0.000 2.453 5 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 5 N C 1.543 176.817 175.510 -0.393 0.000 1.041 5 N CA 0.392 53.250 53.050 -0.320 0.000 0.900 5 N CB -0.660 37.618 38.487 -0.348 0.000 0.961 5 N HN 0.536 nan 8.380 nan 0.000 0.443 6 L N -0.043 121.033 121.223 -0.244 0.000 3.393 6 L HA -0.520 3.819 4.340 -0.001 0.000 0.153 6 L C 1.731 178.468 176.870 -0.221 0.000 4.462 6 L CA 2.538 57.204 54.840 -0.290 0.000 0.417 6 L CB -1.315 40.647 42.059 -0.161 0.000 3.559 6 L HN 0.342 nan 8.230 nan 0.000 0.598 7 K N -1.196 119.104 120.400 -0.167 0.000 2.057 7 K HA -0.189 4.130 4.320 -0.001 0.000 0.207 7 K C 1.659 178.172 176.600 -0.144 0.000 1.049 7 K CA 1.711 57.837 56.287 -0.269 0.000 0.931 7 K CB -0.254 31.947 32.500 -0.499 0.000 0.714 7 K HN 0.644 nan 8.250 nan 0.000 0.440 8 D N 0.336 120.650 120.400 -0.143 0.000 2.133 8 D HA -0.166 4.473 4.640 -0.001 0.000 0.195 8 D C 1.940 178.189 176.300 -0.085 0.000 0.997 8 D CA 1.157 55.101 54.000 -0.094 0.000 0.840 8 D CB -0.236 40.506 40.800 -0.096 0.000 0.947 8 D HN 0.042 nan 8.370 nan 0.000 0.452 9 V N 1.207 121.049 119.914 -0.119 0.000 2.229 9 V HA -0.215 3.905 4.120 -0.001 0.000 0.243 9 V C 2.759 178.752 176.094 -0.168 0.000 1.042 9 V CA 1.086 63.314 62.300 -0.119 0.000 1.000 9 V CB -0.690 31.051 31.823 -0.137 0.000 0.637 9 V HN 0.188 nan 8.190 nan 0.000 0.446 10 L N 0.166 121.236 121.223 -0.255 0.000 2.030 10 L HA -0.361 3.978 4.340 -0.001 0.000 0.222 10 L C 2.616 179.172 176.870 -0.523 0.000 1.082 10 L CA 2.233 56.823 54.840 -0.417 0.000 0.785 10 L CB -0.636 41.137 42.059 -0.477 0.000 0.895 10 L HN 0.439 nan 8.230 nan 0.000 0.439 11 A N -1.150 121.487 122.820 -0.305 0.000 2.024 11 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 11 A C 2.282 179.811 177.584 -0.092 0.000 1.164 11 A CA 1.923 53.912 52.037 -0.080 0.000 0.643 11 A CB -0.597 18.541 19.000 0.229 0.000 0.806 11 A HN 0.586 nan 8.150 nan 0.000 0.451 12 A N -1.217 121.541 122.820 -0.103 0.000 1.911 12 A HA 0.270 4.589 4.320 -0.001 0.000 0.212 12 A C 1.984 179.534 177.584 -0.058 0.000 1.189 12 A CA 1.089 53.091 52.037 -0.059 0.000 0.639 12 A CB -0.463 18.513 19.000 -0.040 0.000 0.839 12 A HN 0.381 nan 8.150 nan 0.000 0.449 13 L N 0.633 121.814 121.223 -0.071 0.000 1.970 13 L HA -0.183 4.156 4.340 -0.001 0.000 0.212 13 L C 2.255 179.150 176.870 0.040 0.000 1.071 13 L CA 1.820 56.666 54.840 0.009 0.000 0.751 13 L CB -0.624 41.485 42.059 0.084 0.000 0.889 13 L HN 0.490 nan 8.230 nan 0.000 0.432 14 I N -0.169 120.365 120.570 -0.059 0.000 2.720 14 I HA -0.408 3.761 4.170 -0.001 0.000 0.208 14 I C -0.337 175.779 176.117 -0.001 0.000 0.908 14 I CA 2.173 63.406 61.300 -0.112 0.000 1.222 14 I CB -2.513 35.203 38.000 -0.474 0.000 0.933 14 I HN 0.247 nan 8.210 nan 0.000 0.360 15 P HA -0.221 nan 4.420 nan 0.000 0.219 15 P C 1.097 178.411 177.300 0.024 0.000 1.147 15 P CA 1.871 64.975 63.100 0.005 0.000 0.821 15 P CB -0.254 31.447 31.700 0.002 0.000 0.771 16 K N -0.209 120.207 120.400 0.027 0.000 2.001 16 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 16 K C 2.136 178.762 176.600 0.043 0.000 1.048 16 K CA 1.283 57.588 56.287 0.029 0.000 0.932 16 K CB -0.467 32.045 32.500 0.021 0.000 0.715 16 K HN 0.047 nan 8.250 nan 0.000 0.437 17 E N 1.150 121.395 120.200 0.075 0.000 2.268 17 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 17 E C 1.848 178.513 176.600 0.108 0.000 0.995 17 E CA 0.984 57.434 56.400 0.083 0.000 0.836 17 E CB 0.143 29.944 29.700 0.167 0.000 0.763 17 E HN 0.248 nan 8.360 nan 0.000 0.491 18 Q N -1.362 118.501 119.800 0.105 0.000 2.354 18 Q HA 0.098 4.437 4.340 -0.001 0.000 0.203 18 Q C 1.749 177.801 176.000 0.086 0.000 0.933 18 Q CA 0.736 56.599 55.803 0.100 0.000 0.901 18 Q CB 0.117 28.895 28.738 0.067 0.000 1.007 18 Q HN 0.291 nan 8.270 nan 0.000 0.495 19 A N 1.158 124.019 122.820 0.068 0.000 1.874 19 A HA -0.110 4.209 4.320 -0.001 0.000 0.214 19 A C 2.075 179.702 177.584 0.073 0.000 1.189 19 A CA 0.959 53.031 52.037 0.059 0.000 0.615 19 A CB -0.502 18.523 19.000 0.041 0.000 0.830 19 A HN 0.262 nan 8.150 nan 0.000 0.443 20 R N 0.301 120.844 120.500 0.071 0.000 2.105 20 R HA -0.096 4.244 4.340 -0.001 0.000 0.239 20 R C 1.750 178.141 176.300 0.152 0.000 1.135 20 R CA 1.816 57.964 56.100 0.080 0.000 0.967 20 R CB -0.406 29.914 30.300 0.033 0.000 0.861 20 R HN 0.579 nan 8.270 nan 0.000 0.442 21 I N 1.495 122.164 120.570 0.166 0.000 2.353 21 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 21 I C 2.263 178.502 176.117 0.204 0.000 1.119 21 I CA 1.298 62.744 61.300 0.243 0.000 1.417 21 I CB -0.305 37.834 38.000 0.231 0.000 1.078 21 I HN 0.237 nan 8.210 nan 0.000 0.421 22 K N 1.083 121.564 120.400 0.135 0.000 2.031 22 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 22 K C 1.915 178.562 176.600 0.079 0.000 1.049 22 K CA 1.771 58.110 56.287 0.086 0.000 0.939 22 K CB -0.993 31.545 32.500 0.064 0.000 0.717 22 K HN 0.120 nan 8.250 nan 0.000 0.438 23 T N 1.349 115.960 114.554 0.096 0.000 2.665 23 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 23 T C 1.522 176.299 174.700 0.129 0.000 1.035 23 T CA 1.560 63.712 62.100 0.085 0.000 1.151 23 T CB -0.623 68.296 68.868 0.085 0.000 0.862 23 T HN 0.353 nan 8.240 nan 0.000 0.438 24 F N 2.738 122.705 119.950 0.028 0.000 2.046 24 F HA -0.220 4.305 4.527 -0.002 0.000 0.297 24 F C 2.631 178.461 175.800 0.050 0.000 1.123 24 F CA 1.264 59.309 58.000 0.076 0.000 1.199 24 F CB -0.018 39.045 39.000 0.106 0.000 0.972 24 F HN -0.043 nan 8.300 nan 0.000 0.474 25 R N 0.091 120.447 120.500 -0.241 0.000 2.189 25 R HA -0.160 4.179 4.340 -0.001 0.000 0.223 25 R C 2.093 178.275 176.300 -0.197 0.000 1.092 25 R CA 1.163 57.050 56.100 -0.355 0.000 0.989 25 R CB -0.729 29.450 30.300 -0.202 0.000 0.876 25 R HN 0.527 nan 8.270 nan 0.000 0.457 26 Q N 1.170 120.905 119.800 -0.108 0.000 2.167 26 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 26 Q C 1.945 177.873 176.000 -0.120 0.000 0.970 26 Q CA 1.512 57.266 55.803 -0.082 0.000 0.855 26 Q CB 0.292 29.005 28.738 -0.041 0.000 0.911 26 Q HN 0.444 nan 8.270 nan 0.000 0.438 27 Q N -1.079 118.605 119.800 -0.193 0.000 2.141 27 Q HA -0.070 4.269 4.340 -0.001 0.000 0.207 27 Q C 1.704 177.555 176.000 -0.249 0.000 0.996 27 Q CA 0.353 55.988 55.803 -0.280 0.000 0.850 27 Q CB -0.102 28.307 28.738 -0.547 0.000 0.952 27 Q HN 0.483 nan 8.270 nan 0.000 0.512 28 H N 0.101 119.168 119.070 -0.006 0.000 2.543 28 H HA -0.008 4.548 4.556 -0.001 0.000 0.286 28 H C 1.821 177.043 175.328 -0.178 0.000 1.037 28 H CA 0.799 56.834 56.048 -0.022 0.000 1.250 28 H CB -0.636 29.226 29.762 0.167 0.000 1.373 28 H HN 0.681 nan 8.280 nan 0.000 0.580 29 G N 1.416 110.076 108.800 -0.234 0.000 2.816 29 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.229 29 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.229 29 G C 1.767 176.573 174.900 -0.157 0.000 1.158 29 G CA 1.300 46.233 45.100 -0.279 0.000 0.761 29 G HN 0.567 nan 8.290 nan 0.000 0.636 30 G N -0.554 108.195 108.800 -0.085 0.000 3.448 30 G HA2 0.387 4.347 3.960 -0.001 0.000 0.261 30 G HA3 0.387 4.347 3.960 -0.001 0.000 0.261 30 G C 0.366 175.253 174.900 -0.021 0.000 1.173 30 G CA 0.379 45.451 45.100 -0.048 0.000 0.835 30 G HN 0.369 nan 8.290 nan 0.000 0.534 31 T N 1.666 116.214 114.554 -0.010 0.000 2.851 31 T HA 0.399 4.748 4.350 -0.001 0.000 0.298 31 T C 0.945 175.654 174.700 0.014 0.000 0.977 31 T CA 0.050 62.165 62.100 0.025 0.000 1.126 31 T CB 1.347 70.260 68.868 0.075 0.000 0.916 31 T HN 0.279 nan 8.240 nan 0.000 0.529 32 A N 5.251 128.080 122.820 0.014 0.000 3.092 32 A HA 0.110 4.429 4.320 -0.001 0.000 0.278 32 A C 1.795 179.385 177.584 0.011 0.000 1.956 32 A CA -0.305 51.738 52.037 0.009 0.000 1.501 32 A CB -0.820 18.185 19.000 0.008 0.000 0.977 32 A HN 0.818 nan 8.150 nan 0.000 0.607 33 L N 0.690 121.920 121.223 0.012 0.000 2.081 33 L HA -0.083 4.257 4.340 -0.001 0.000 0.212 33 L C 1.244 178.117 176.870 0.005 0.000 1.080 33 L CA 2.561 57.409 54.840 0.012 0.000 0.754 33 L CB -1.052 41.015 42.059 0.014 0.000 0.893 33 L HN 0.734 nan 8.230 nan 0.000 0.433 34 G N -1.930 106.871 108.800 0.002 0.000 2.441 34 G HA2 0.432 4.391 3.960 -0.001 0.000 0.294 34 G HA3 0.432 4.391 3.960 -0.001 0.000 0.294 34 G C -1.670 173.231 174.900 0.001 0.000 1.393 34 G CA -0.681 44.419 45.100 0.000 0.000 0.796 34 G HN 0.175 nan 8.290 nan 0.000 0.494 35 Q N -0.483 119.318 119.800 0.001 0.000 2.345 35 Q HA 0.726 5.065 4.340 -0.001 0.000 0.268 35 Q C -0.719 175.284 176.000 0.004 0.000 1.054 35 Q CA -0.897 54.908 55.803 0.003 0.000 0.835 35 Q CB 2.939 31.680 28.738 0.005 0.000 1.339 35 Q HN 0.453 nan 8.270 nan 0.000 0.447 36 I N 1.740 122.313 120.570 0.005 0.000 2.437 36 I HA 0.375 4.545 4.170 -0.001 0.000 0.298 36 I C -0.359 175.767 176.117 0.014 0.000 0.984 36 I CA -0.531 60.773 61.300 0.007 0.000 1.214 36 I CB 1.989 39.991 38.000 0.004 0.000 1.365 36 I HN 0.696 nan 8.210 nan 0.000 0.469 37 T N 4.377 118.943 114.554 0.021 0.000 2.940 37 T HA 0.221 4.570 4.350 -0.001 0.000 0.288 37 T C 0.785 175.517 174.700 0.053 0.000 1.033 37 T CA -0.552 61.567 62.100 0.033 0.000 1.033 37 T CB 2.542 71.429 68.868 0.033 0.000 1.079 37 T HN 0.279 nan 8.240 nan 0.000 0.496 38 V N 0.828 120.787 119.914 0.074 0.000 3.217 38 V HA -0.043 4.077 4.120 -0.001 0.000 0.264 38 V C 1.560 177.790 176.094 0.226 0.000 1.135 38 V CA 1.516 63.897 62.300 0.134 0.000 1.142 38 V CB -0.305 31.599 31.823 0.134 0.000 0.754 38 V HN 0.793 nan 8.190 nan 0.000 0.484 39 D N 0.093 120.577 120.400 0.141 0.000 2.216 39 D HA -0.056 4.583 4.640 -0.001 0.000 0.208 39 D C 2.215 178.600 176.300 0.141 0.000 0.960 39 D CA 1.034 55.117 54.000 0.138 0.000 0.861 39 D CB -0.074 40.762 40.800 0.059 0.000 0.985 39 D HN 0.506 nan 8.370 nan 0.000 0.493 40 M N -1.329 118.321 119.600 0.084 0.000 2.394 40 M HA 0.066 4.545 4.480 -0.001 0.000 0.264 40 M C 1.956 178.278 176.300 0.036 0.000 1.073 40 M CA 0.948 56.279 55.300 0.051 0.000 1.111 40 M CB 0.030 32.645 32.600 0.026 0.000 1.401 40 M HN -0.260 nan 8.290 nan 0.000 0.448 41 S N 0.098 115.813 115.700 0.025 0.000 2.368 41 S HA -0.044 4.425 4.470 -0.001 0.000 0.224 41 S C 1.390 175.926 174.600 -0.107 0.000 1.029 41 S CA 1.071 59.232 58.200 -0.065 0.000 0.988 41 S CB -0.321 62.795 63.200 -0.139 0.000 0.838 41 S HN 0.600 nan 8.310 nan 0.000 0.462 42 Y N 0.672 120.975 120.300 0.004 0.000 2.490 42 Y HA 0.262 4.811 4.550 -0.001 0.000 0.281 42 Y C 1.971 177.872 175.900 0.001 0.000 1.174 42 Y CA 0.152 58.253 58.100 0.003 0.000 1.295 42 Y CB 0.016 38.477 38.460 0.001 0.000 1.062 42 Y HN 0.307 nan 8.280 nan 0.000 0.522 43 G N -1.548 107.327 108.800 0.124 0.000 3.453 43 G HA2 0.370 4.330 3.960 -0.001 0.000 0.263 43 G HA3 0.370 4.330 3.960 -0.001 0.000 0.263 43 G C 0.973 175.898 174.900 0.041 0.000 1.060 43 G CA 0.054 45.200 45.100 0.077 0.000 0.793 43 G HN 0.357 nan 8.290 nan 0.000 0.532 44 G N 0.687 109.506 108.800 0.031 0.000 2.212 44 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.255 44 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.255 44 G C 0.723 175.631 174.900 0.015 0.000 1.062 44 G CA 0.107 45.220 45.100 0.021 0.000 0.815 44 G HN 0.798 nan 8.290 nan 0.000 0.497 45 M N -1.885 117.720 119.600 0.010 0.000 2.393 45 M HA -0.231 4.248 4.480 -0.001 0.000 0.201 45 M C 1.192 177.489 176.300 -0.006 0.000 0.403 45 M CA 1.660 56.962 55.300 0.003 0.000 0.471 45 M CB -0.705 31.899 32.600 0.008 0.000 1.669 45 M HN 0.952 nan 8.290 nan 0.000 0.864 46 R N 0.562 121.062 120.500 -0.000 0.000 2.446 46 R HA 0.346 4.685 4.340 -0.001 0.000 0.325 46 R C 1.036 177.332 176.300 -0.008 0.000 0.997 46 R CA 0.969 57.066 56.100 -0.005 0.000 1.010 46 R CB -0.134 30.170 30.300 0.007 0.000 0.946 46 R HN 0.458 nan 8.270 nan 0.000 0.422 47 G N 3.574 112.364 108.800 -0.017 0.000 2.249 47 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.273 47 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.273 47 G C 0.064 174.954 174.900 -0.017 0.000 1.036 47 G CA 0.441 45.531 45.100 -0.017 0.000 0.824 47 G HN 0.671 nan 8.290 nan 0.000 0.504 48 M N 0.621 120.207 119.600 -0.023 0.000 2.754 48 M HA 0.219 4.698 4.480 -0.001 0.000 0.327 48 M C 0.600 176.881 176.300 -0.033 0.000 1.288 48 M CA -0.420 54.867 55.300 -0.022 0.000 1.324 48 M CB 0.221 32.811 32.600 -0.016 0.000 1.169 48 M HN 0.163 nan 8.290 nan 0.000 0.494 49 K N 0.920 121.302 120.400 -0.029 0.000 2.547 49 K HA -0.052 4.267 4.320 -0.001 0.000 0.275 49 K C 0.851 177.428 176.600 -0.038 0.000 1.001 49 K CA 0.900 57.166 56.287 -0.034 0.000 1.111 49 K CB 0.071 32.559 32.500 -0.020 0.000 0.832 49 K HN 0.875 nan 8.250 nan 0.000 0.485 50 G N 2.188 110.955 108.800 -0.055 0.000 5.413 50 G HA2 0.103 4.062 3.960 -0.001 0.000 0.206 50 G HA3 0.103 4.062 3.960 -0.001 0.000 0.206 50 G C 0.010 174.864 174.900 -0.077 0.000 0.794 50 G CA -0.448 44.620 45.100 -0.053 0.000 0.751 50 G HN 0.447 nan 8.290 nan 0.000 0.334 51 L N -0.302 120.872 121.223 -0.081 0.000 2.738 51 L HA 0.439 4.778 4.340 -0.001 0.000 0.178 51 L C 1.344 178.173 176.870 -0.069 0.000 1.281 51 L CA -0.044 54.740 54.840 -0.093 0.000 0.864 51 L CB -0.023 41.927 42.059 -0.182 0.000 1.224 51 L HN 0.033 nan 8.230 nan 0.000 0.520 52 V N 0.373 120.270 119.914 -0.029 0.000 5.999 52 V HA -0.289 3.830 4.120 -0.001 0.000 0.275 52 V C -1.089 175.074 176.094 0.115 0.000 0.606 52 V CA 0.391 62.682 62.300 -0.015 0.000 0.836 52 V CB -2.354 29.334 31.823 -0.225 0.000 0.869 52 V HN 0.390 nan 8.190 nan 0.000 0.497 53 Y N 2.196 122.495 120.300 -0.002 0.000 2.364 53 Y HA 0.566 5.116 4.550 -0.001 0.000 0.340 53 Y C 1.123 177.049 175.900 0.043 0.000 0.975 53 Y CA -0.553 57.568 58.100 0.035 0.000 1.089 53 Y CB 1.888 40.314 38.460 -0.056 0.000 1.192 53 Y HN 0.490 nan 8.280 nan 0.000 0.454 54 E N 1.373 121.493 120.200 -0.134 0.000 2.489 54 E HA -0.008 4.341 4.350 -0.001 0.000 0.204 54 E C 1.202 177.709 176.600 -0.154 0.000 1.006 54 E CA 0.770 57.091 56.400 -0.131 0.000 0.936 54 E CB 0.605 30.185 29.700 -0.200 0.000 1.002 54 E HN 0.858 nan 8.360 nan 0.000 0.488 55 T N -0.627 113.827 114.554 -0.166 0.000 2.937 55 T HA -0.028 4.321 4.350 -0.001 0.000 0.260 55 T C 1.231 176.023 174.700 0.154 0.000 1.051 55 T CA 0.440 62.517 62.100 -0.039 0.000 1.141 55 T CB 0.071 68.908 68.868 -0.051 0.000 0.879 55 T HN 0.070 nan 8.240 nan 0.000 0.459 56 S N 0.111 115.962 115.700 0.251 0.000 2.541 56 S HA 0.685 5.154 4.470 -0.001 0.000 0.271 56 S C -1.340 173.317 174.600 0.095 0.000 1.133 56 S CA -0.931 57.400 58.200 0.217 0.000 0.876 56 S CB 2.329 65.734 63.200 0.342 0.000 1.105 56 S HN 0.229 nan 8.310 nan 0.000 0.470 57 V N 2.518 122.428 119.914 -0.007 0.000 2.588 57 V HA 0.522 4.641 4.120 -0.001 0.000 0.304 57 V C -0.317 175.688 176.094 -0.148 0.000 1.042 57 V CA -0.850 61.411 62.300 -0.065 0.000 0.877 57 V CB 1.526 33.320 31.823 -0.048 0.000 0.996 57 V HN 0.975 nan 8.190 nan 0.000 0.425 58 L N 3.820 124.938 121.223 -0.174 0.000 2.418 58 L HA 0.357 4.696 4.340 -0.001 0.000 0.274 58 L C 0.011 176.800 176.870 -0.135 0.000 1.135 58 L CA 0.403 55.125 54.840 -0.196 0.000 0.870 58 L CB 0.442 42.400 42.059 -0.169 0.000 1.154 58 L HN 0.803 nan 8.230 nan 0.000 0.462 59 D N 7.244 127.559 120.400 -0.142 0.000 2.329 59 D HA 0.267 4.907 4.640 -0.001 0.000 0.232 59 D C -1.900 174.333 176.300 -0.112 0.000 1.088 59 D CA -2.342 51.591 54.000 -0.113 0.000 0.835 59 D CB 1.821 42.555 40.800 -0.109 0.000 1.078 59 D HN 0.268 nan 8.370 nan 0.000 0.495 60 P HA -0.042 nan 4.420 nan 0.000 0.229 60 P C 0.009 177.266 177.300 -0.072 0.000 1.150 60 P CA 0.784 63.842 63.100 -0.071 0.000 0.765 60 P CB 0.543 32.220 31.700 -0.038 0.000 0.783 61 D N -1.691 118.660 120.400 -0.081 0.000 2.449 61 D HA 0.012 4.652 4.640 -0.001 0.000 0.210 61 D C 1.426 177.668 176.300 -0.097 0.000 1.094 61 D CA 0.473 54.424 54.000 -0.082 0.000 0.846 61 D CB 0.362 41.120 40.800 -0.070 0.000 1.003 61 D HN -0.045 nan 8.370 nan 0.000 0.504 62 E N -0.597 119.539 120.200 -0.107 0.000 2.665 62 E HA 0.331 4.680 4.350 -0.001 0.000 0.225 62 E C 0.941 177.467 176.600 -0.123 0.000 0.922 62 E CA 0.408 56.743 56.400 -0.108 0.000 1.242 62 E CB 1.425 31.063 29.700 -0.103 0.000 1.197 62 E HN 0.138 nan 8.360 nan 0.000 0.581 63 G N 1.324 110.039 108.800 -0.142 0.000 2.464 63 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 63 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 63 G C -0.247 174.530 174.900 -0.205 0.000 1.186 63 G CA -0.270 44.732 45.100 -0.164 0.000 1.010 63 G HN 0.147 nan 8.290 nan 0.000 0.585 64 I N 0.621 121.041 120.570 -0.249 0.000 3.021 64 I HA 0.813 4.982 4.170 -0.001 0.000 0.303 64 I C 0.433 176.310 176.117 -0.400 0.000 1.044 64 I CA -0.577 60.507 61.300 -0.360 0.000 1.266 64 I CB 1.283 39.034 38.000 -0.415 0.000 1.447 64 I HN 0.734 nan 8.210 nan 0.000 0.593 65 R N 3.705 123.965 120.500 -0.401 0.000 2.510 65 R HA 0.361 4.700 4.340 -0.001 0.000 0.287 65 R C -1.554 174.678 176.300 -0.114 0.000 1.084 65 R CA -0.328 55.612 56.100 -0.266 0.000 0.934 65 R CB 0.784 31.009 30.300 -0.126 0.000 1.201 65 R HN 0.388 nan 8.270 nan 0.000 0.431 66 F N 4.369 124.378 119.950 0.098 0.000 2.894 66 F HA 0.474 5.000 4.527 -0.001 0.000 0.310 66 F C 1.376 177.277 175.800 0.169 0.000 1.204 66 F CA -0.200 57.860 58.000 0.100 0.000 1.290 66 F CB -0.455 38.591 39.000 0.077 0.000 1.317 66 F HN 0.587 nan 8.300 nan 0.000 0.545 67 R N -0.358 120.312 120.500 0.283 0.000 2.806 67 R HA -0.125 4.214 4.340 -0.001 0.000 0.048 67 R C 1.025 177.377 176.300 0.087 0.000 0.886 67 R CA 0.686 56.909 56.100 0.205 0.000 1.540 67 R CB -1.209 29.319 30.300 0.381 0.000 0.597 67 R HN 0.355 nan 8.270 nan 0.000 0.677 68 G N 0.352 109.156 108.800 0.007 0.000 3.079 68 G HA2 0.278 4.237 3.960 -0.001 0.000 0.233 68 G HA3 0.278 4.237 3.960 -0.001 0.000 0.233 68 G C -0.168 174.628 174.900 -0.172 0.000 1.062 68 G CA -0.206 44.799 45.100 -0.159 0.000 0.809 68 G HN 0.057 nan 8.290 nan 0.000 0.535 69 F N 3.202 123.145 119.950 -0.011 0.000 2.502 69 F HA 0.337 4.864 4.527 -0.002 0.000 0.371 69 F C 1.325 177.099 175.800 -0.044 0.000 1.083 69 F CA -0.552 57.451 58.000 0.006 0.000 1.174 69 F CB 0.863 39.904 39.000 0.069 0.000 1.096 69 F HN 0.038 nan 8.300 nan 0.000 0.545 70 S N 2.803 118.547 115.700 0.073 0.000 2.693 70 S HA 0.393 4.863 4.470 -0.001 0.000 0.276 70 S C 1.188 175.762 174.600 -0.043 0.000 1.192 70 S CA -0.812 57.353 58.200 -0.059 0.000 0.994 70 S CB 1.167 64.335 63.200 -0.054 0.000 1.012 70 S HN 0.440 nan 8.310 nan 0.000 0.550 71 I N 2.084 122.579 120.570 -0.126 0.000 2.091 71 I HA -0.123 4.047 4.170 -0.001 0.000 0.240 71 I C -0.796 175.340 176.117 0.032 0.000 1.046 71 I CA 1.777 63.048 61.300 -0.047 0.000 1.306 71 I CB -1.518 36.446 38.000 -0.059 0.000 1.018 71 I HN 0.639 nan 8.210 nan 0.000 0.404 72 P HA -0.176 nan 4.420 nan 0.000 0.215 72 P C 1.304 178.646 177.300 0.070 0.000 1.153 72 P CA 1.666 64.789 63.100 0.039 0.000 0.853 72 P CB -0.240 31.471 31.700 0.019 0.000 0.788 73 E N -1.092 119.165 120.200 0.095 0.000 2.208 73 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 73 E C 1.988 178.694 176.600 0.178 0.000 0.988 73 E CA 0.753 57.241 56.400 0.148 0.000 0.828 73 E CB -1.425 28.373 29.700 0.165 0.000 0.763 73 E HN 0.153 nan 8.360 nan 0.000 0.478 74 C N 0.885 120.288 119.300 0.173 0.000 2.442 74 C HA -0.127 4.332 4.460 -0.001 0.000 0.279 74 C C 2.631 177.678 174.990 0.095 0.000 1.237 74 C CA 0.796 59.891 59.018 0.130 0.000 1.722 74 C CB -0.674 27.183 27.740 0.195 0.000 2.056 74 C HN 0.511 nan 8.230 nan 0.000 0.469 75 Q N 1.098 120.956 119.800 0.097 0.000 2.105 75 Q HA -0.296 4.044 4.340 -0.001 0.000 0.217 75 Q C 2.117 178.156 176.000 0.066 0.000 1.029 75 Q CA 2.609 58.459 55.803 0.078 0.000 0.899 75 Q CB -0.415 28.366 28.738 0.071 0.000 1.000 75 Q HN 0.789 nan 8.270 nan 0.000 0.414 76 K N -1.395 119.044 120.400 0.065 0.000 2.365 76 K HA 0.073 4.392 4.320 -0.001 0.000 0.197 76 K C 2.328 178.959 176.600 0.051 0.000 1.042 76 K CA 1.093 57.414 56.287 0.056 0.000 0.987 76 K CB -0.432 32.100 32.500 0.054 0.000 0.779 76 K HN 0.183 nan 8.250 nan 0.000 0.484 77 L N 1.601 122.858 121.223 0.056 0.000 2.194 77 L HA 0.293 4.632 4.340 -0.001 0.000 0.197 77 L C 1.399 178.274 176.870 0.009 0.000 1.106 77 L CA 0.299 55.161 54.840 0.037 0.000 0.785 77 L CB -1.238 40.850 42.059 0.048 0.000 0.960 77 L HN 0.093 nan 8.230 nan 0.000 0.465 78 L N 2.161 123.384 121.223 -0.000 0.000 2.653 78 L HA 0.114 4.453 4.340 -0.001 0.000 0.288 78 L C -1.853 175.022 176.870 0.007 0.000 1.243 78 L CA -1.332 53.505 54.840 -0.004 0.000 0.906 78 L CB -0.080 41.992 42.059 0.021 0.000 1.154 78 L HN 0.322 nan 8.230 nan 0.000 0.498 79 P HA 0.086 nan 4.420 nan 0.000 0.267 79 P C -0.814 176.490 177.300 0.007 0.000 1.209 79 P CA -0.271 62.821 63.100 -0.013 0.000 0.763 79 P CB 0.556 32.228 31.700 -0.047 0.000 0.816 80 K N 2.065 122.474 120.400 0.016 0.000 2.258 80 K HA 0.292 4.611 4.320 -0.001 0.000 0.264 80 K C 1.977 178.595 176.600 0.030 0.000 1.007 80 K CA 0.331 56.635 56.287 0.029 0.000 0.941 80 K CB -0.279 32.243 32.500 0.036 0.000 0.966 80 K HN 0.503 nan 8.250 nan 0.000 0.480 81 G N 1.342 110.166 108.800 0.041 0.000 2.549 81 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.222 81 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.222 81 G C 0.714 175.641 174.900 0.045 0.000 1.100 81 G CA 0.796 45.925 45.100 0.048 0.000 0.739 81 G HN 0.977 nan 8.290 nan 0.000 0.577 85 G N -0.879 107.969 108.800 0.080 0.000 2.884 85 G HA2 0.385 4.344 3.960 -0.001 0.000 0.198 85 G HA3 0.385 4.344 3.960 -0.001 0.000 0.198 85 G C 0.137 175.089 174.900 0.086 0.000 1.083 85 G CA 0.333 45.486 45.100 0.088 0.000 0.740 85 G HN 0.523 nan 8.290 nan 0.000 0.690 86 E N 2.158 122.417 120.200 0.099 0.000 2.344 86 E HA 0.335 4.685 4.350 -0.001 0.000 0.270 86 E C -2.123 174.511 176.600 0.057 0.000 1.021 86 E CA -1.574 54.873 56.400 0.079 0.000 0.887 86 E CB 1.375 31.116 29.700 0.069 0.000 0.997 86 E HN 0.132 nan 8.360 nan 0.000 0.429 87 P HA -0.044 nan 4.420 nan 0.000 0.269 87 P C -0.877 176.471 177.300 0.081 0.000 1.217 87 P CA -0.312 62.828 63.100 0.067 0.000 0.783 87 P CB 0.488 32.234 31.700 0.076 0.000 0.898 88 L N 4.608 125.882 121.223 0.085 0.000 2.276 88 L HA 0.291 4.630 4.340 -0.001 0.000 0.286 88 L C -1.297 175.666 176.870 0.155 0.000 1.061 88 L CA -1.992 52.921 54.840 0.122 0.000 0.807 88 L CB 0.515 42.635 42.059 0.102 0.000 1.177 88 L HN 0.304 nan 8.230 nan 0.000 0.429 89 P HA -0.171 nan 4.420 nan 0.000 0.220 89 P C 0.916 178.341 177.300 0.209 0.000 1.144 89 P CA 1.043 64.279 63.100 0.226 0.000 0.800 89 P CB 0.538 32.462 31.700 0.374 0.000 0.772 90 E N -0.015 120.314 120.200 0.214 0.000 2.007 90 E HA -0.104 4.245 4.350 -0.001 0.000 0.194 90 E C 2.454 179.167 176.600 0.189 0.000 0.999 90 E CA 1.699 58.193 56.400 0.156 0.000 0.811 90 E CB -1.314 28.361 29.700 -0.041 0.000 0.762 90 E HN 0.196 nan 8.360 nan 0.000 0.450 91 G N 1.247 110.110 108.800 0.106 0.000 2.485 91 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.221 91 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.221 91 G C 1.429 176.423 174.900 0.158 0.000 1.115 91 G CA 0.497 45.656 45.100 0.099 0.000 0.751 91 G HN 0.140 nan 8.290 nan 0.000 0.567 92 L N -0.556 120.743 121.223 0.127 0.000 2.072 92 L HA 0.087 4.426 4.340 -0.001 0.000 0.205 92 L C 2.518 179.428 176.870 0.068 0.000 1.079 92 L CA 1.607 56.478 54.840 0.051 0.000 0.752 92 L CB -0.498 41.578 42.059 0.028 0.000 0.906 92 L HN 0.318 nan 8.230 nan 0.000 0.436 93 F N -0.377 119.591 119.950 0.030 0.000 2.206 93 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 93 F C 2.371 178.222 175.800 0.085 0.000 1.090 93 F CA 1.127 59.149 58.000 0.035 0.000 1.323 93 F CB -0.624 38.455 39.000 0.131 0.000 1.028 93 F HN 0.209 nan 8.300 nan 0.000 0.492 94 W N 1.297 122.531 121.300 -0.109 0.000 2.329 94 W HA -0.296 4.363 4.660 -0.002 0.000 0.324 94 W C 2.273 178.657 176.519 -0.225 0.000 1.222 94 W CA 2.146 59.359 57.345 -0.220 0.000 1.270 94 W CB -1.020 28.389 29.460 -0.084 0.000 1.167 94 W HN 0.229 nan 8.180 nan 0.000 0.467 95 L N 1.633 122.882 121.223 0.043 0.000 1.957 95 L HA -0.319 4.021 4.340 -0.001 0.000 0.228 95 L C 2.606 179.378 176.870 -0.163 0.000 1.086 95 L CA 2.825 57.624 54.840 -0.068 0.000 0.796 95 L CB -1.508 40.500 42.059 -0.086 0.000 0.900 95 L HN 0.145 nan 8.230 nan 0.000 0.439 96 L N -1.137 119.991 121.223 -0.157 0.000 2.113 96 L HA -0.337 4.002 4.340 -0.001 0.000 0.221 96 L C 2.353 179.111 176.870 -0.188 0.000 1.084 96 L CA 1.783 56.528 54.840 -0.159 0.000 0.787 96 L CB -0.760 41.214 42.059 -0.143 0.000 0.893 96 L HN 0.335 nan 8.230 nan 0.000 0.440 97 V N -1.716 118.010 119.914 -0.315 0.000 2.788 97 V HA -0.141 3.978 4.120 -0.001 0.000 0.251 97 V C 2.201 178.283 176.094 -0.021 0.000 1.068 97 V CA 1.855 64.039 62.300 -0.193 0.000 1.090 97 V CB 0.078 31.590 31.823 -0.519 0.000 0.710 97 V HN 0.460 nan 8.190 nan 0.000 0.467 98 T N -0.685 113.714 114.554 -0.258 0.000 2.898 98 T HA 0.315 4.664 4.350 -0.001 0.000 0.241 98 T C 1.470 176.100 174.700 -0.117 0.000 1.024 98 T CA 1.265 63.237 62.100 -0.213 0.000 1.174 98 T CB 0.054 68.694 68.868 -0.380 0.000 0.873 98 T HN 0.656 nan 8.240 nan 0.000 0.422 99 G N 1.205 109.940 108.800 -0.108 0.000 2.143 99 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.175 99 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.175 99 G C -0.253 174.668 174.900 0.035 0.000 1.004 99 G CA -0.433 44.650 45.100 -0.029 0.000 0.671 99 G HN 0.508 nan 8.290 nan 0.000 0.512 100 Q N -0.534 119.257 119.800 -0.017 0.000 2.451 100 Q HA 0.574 4.913 4.340 -0.001 0.000 0.281 100 Q C -0.120 175.889 176.000 0.015 0.000 1.099 100 Q CA -1.153 54.670 55.803 0.034 0.000 0.806 100 Q CB 2.036 30.840 28.738 0.111 0.000 1.419 100 Q HN 0.209 nan 8.270 nan 0.000 0.427 101 I N 4.126 124.678 120.570 -0.029 0.000 2.311 101 I HA 0.123 4.292 4.170 -0.001 0.000 0.297 101 I C -1.910 174.233 176.117 0.042 0.000 1.131 101 I CA -1.549 59.727 61.300 -0.040 0.000 1.289 101 I CB -0.206 37.733 38.000 -0.101 0.000 1.446 101 I HN 0.236 nan 8.210 nan 0.000 0.524 102 P HA -0.011 nan 4.420 nan 0.000 0.264 102 P C 0.249 177.396 177.300 -0.255 0.000 1.183 102 P CA 0.149 63.023 63.100 -0.378 0.000 0.763 102 P CB 0.485 31.804 31.700 -0.635 0.000 0.807 103 T N -0.249 114.139 114.554 -0.277 0.000 2.770 103 T HA 0.348 4.698 4.350 -0.001 0.000 0.281 103 T C 1.731 176.311 174.700 -0.200 0.000 0.981 103 T CA 0.196 62.190 62.100 -0.178 0.000 0.955 103 T CB 0.237 69.025 68.868 -0.134 0.000 1.060 103 T HN 0.421 nan 8.240 nan 0.000 0.531 104 G N 0.756 109.480 108.800 -0.127 0.000 2.679 104 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.217 104 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.217 104 G C 1.789 176.615 174.900 -0.122 0.000 1.267 104 G CA 1.146 46.184 45.100 -0.104 0.000 0.799 104 G HN 1.288 nan 8.290 nan 0.000 0.606 105 A N -0.151 122.606 122.820 -0.105 0.000 2.225 105 A HA 0.027 4.347 4.320 -0.001 0.000 0.215 105 A C 2.285 179.797 177.584 -0.118 0.000 1.164 105 A CA 1.706 53.694 52.037 -0.083 0.000 0.710 105 A CB -0.269 18.704 19.000 -0.045 0.000 0.780 105 A HN 0.596 nan 8.150 nan 0.000 0.473 106 Q N -0.995 118.627 119.800 -0.297 0.000 2.269 106 Q HA -0.006 4.334 4.340 -0.001 0.000 0.201 106 Q C 1.854 177.510 176.000 -0.573 0.000 0.946 106 Q CA 1.161 56.598 55.803 -0.610 0.000 0.877 106 Q CB -0.102 27.979 28.738 -1.095 0.000 0.963 106 Q HN 0.511 nan 8.270 nan 0.000 0.472 107 V N 0.481 120.167 119.914 -0.381 0.000 2.379 107 V HA -0.150 3.969 4.120 -0.001 0.000 0.243 107 V C 2.036 178.015 176.094 -0.191 0.000 1.035 107 V CA 1.720 63.863 62.300 -0.262 0.000 1.035 107 V CB -0.080 31.626 31.823 -0.196 0.000 0.673 107 V HN 0.268 nan 8.190 nan 0.000 0.457 108 S N -0.752 114.863 115.700 -0.142 0.000 2.419 108 S HA -0.249 4.221 4.470 -0.001 0.000 0.233 108 S C 1.452 175.947 174.600 -0.176 0.000 1.016 108 S CA 1.466 59.589 58.200 -0.128 0.000 0.974 108 S CB -0.550 62.602 63.200 -0.079 0.000 0.786 108 S HN 0.762 nan 8.310 nan 0.000 0.492 109 W N 3.089 124.269 121.300 -0.200 0.000 2.302 109 W HA -0.235 4.425 4.660 -0.000 0.000 0.320 109 W C 1.502 177.917 176.519 -0.173 0.000 1.241 109 W CA 1.503 58.749 57.345 -0.166 0.000 1.264 109 W CB -0.673 28.683 29.460 -0.175 0.000 1.154 109 W HN 0.277 nan 8.180 nan 0.000 0.483 110 L N 0.552 121.456 121.223 -0.532 0.000 2.156 110 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 110 L C 2.513 178.852 176.870 -0.886 0.000 1.095 110 L CA 1.555 55.861 54.840 -0.891 0.000 0.770 110 L CB -1.419 40.268 42.059 -0.619 0.000 0.914 110 L HN -0.114 nan 8.230 nan 0.000 0.439 111 S N 0.534 115.917 115.700 -0.529 0.000 2.355 111 S HA -0.146 4.324 4.470 -0.001 0.000 0.222 111 S C 1.906 176.351 174.600 -0.260 0.000 1.031 111 S CA 1.167 59.177 58.200 -0.316 0.000 0.993 111 S CB -0.298 62.839 63.200 -0.107 0.000 0.859 111 S HN 0.408 nan 8.310 nan 0.000 0.453 112 K N 1.210 121.420 120.400 -0.316 0.000 2.063 112 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 112 K C 2.233 178.652 176.600 -0.302 0.000 1.048 112 K CA 1.441 57.573 56.287 -0.258 0.000 0.928 112 K CB -0.212 32.149 32.500 -0.232 0.000 0.713 112 K HN 0.186 nan 8.250 nan 0.000 0.442 113 E N 0.397 120.242 120.200 -0.591 0.000 2.049 113 E HA -0.199 4.150 4.350 -0.001 0.000 0.198 113 E C 1.676 178.163 176.600 -0.188 0.000 1.007 113 E CA 1.574 57.618 56.400 -0.593 0.000 0.809 113 E CB -0.139 28.806 29.700 -1.259 0.000 0.749 113 E HN 0.328 nan 8.360 nan 0.000 0.450 114 W N 0.452 121.619 121.300 -0.223 0.000 2.378 114 W HA 0.096 4.755 4.660 -0.001 0.000 0.313 114 W C 2.437 178.924 176.519 -0.053 0.000 1.197 114 W CA 0.885 58.160 57.345 -0.117 0.000 1.304 114 W CB -1.559 27.840 29.460 -0.102 0.000 1.148 114 W HN 0.228 nan 8.180 nan 0.000 0.494 115 A N 0.736 123.645 122.820 0.148 0.000 1.944 115 A HA -0.359 3.960 4.320 -0.001 0.000 0.222 115 A C 2.019 179.641 177.584 0.063 0.000 1.237 115 A CA 3.180 55.267 52.037 0.084 0.000 0.668 115 A CB -1.003 18.007 19.000 0.017 0.000 0.830 115 A HN 0.312 nan 8.150 nan 0.000 0.471 116 K N -1.151 119.269 120.400 0.034 0.000 1.973 116 K HA -0.052 4.267 4.320 -0.001 0.000 0.210 116 K C 2.251 178.887 176.600 0.060 0.000 1.045 116 K CA 1.546 57.853 56.287 0.033 0.000 0.937 116 K CB -0.218 32.288 32.500 0.010 0.000 0.721 116 K HN 0.434 nan 8.250 nan 0.000 0.438 117 R N 0.470 121.023 120.500 0.089 0.000 2.249 117 R HA -0.038 4.301 4.340 -0.001 0.000 0.230 117 R C 0.655 176.996 176.300 0.069 0.000 1.121 117 R CA 0.711 56.867 56.100 0.094 0.000 0.997 117 R CB -0.284 30.095 30.300 0.133 0.000 0.867 117 R HN 0.111 nan 8.270 nan 0.000 0.465 118 A N 1.516 124.379 122.820 0.071 0.000 3.076 118 A HA 0.370 4.689 4.320 -0.001 0.000 0.269 118 A C -0.099 177.504 177.584 0.033 0.000 1.916 118 A CA 0.231 52.297 52.037 0.048 0.000 1.492 118 A CB -0.394 18.646 19.000 0.067 0.000 1.000 118 A HN 0.267 nan 8.150 nan 0.000 0.615 119 A N 1.484 124.322 122.820 0.030 0.000 2.343 119 A HA 0.648 4.967 4.320 -0.001 0.000 0.308 119 A C -0.941 176.651 177.584 0.013 0.000 1.092 119 A CA -0.464 51.586 52.037 0.022 0.000 0.751 119 A CB 0.822 19.838 19.000 0.026 0.000 1.203 119 A HN 0.577 nan 8.150 nan 0.000 0.452 120 L N 4.381 125.602 121.223 -0.003 0.000 2.265 120 L HA 0.533 4.873 4.340 -0.001 0.000 0.289 120 L C -2.026 174.810 176.870 -0.056 0.000 1.033 120 L CA -1.609 53.214 54.840 -0.028 0.000 0.814 120 L CB 0.857 42.902 42.059 -0.023 0.000 1.203 120 L HN 0.477 nan 8.230 nan 0.000 0.423 121 P HA 0.087 nan 4.420 nan 0.000 0.270 121 P C 0.441 177.671 177.300 -0.116 0.000 1.221 121 P CA 0.040 63.066 63.100 -0.123 0.000 0.788 121 P CB 0.592 32.117 31.700 -0.290 0.000 0.904 122 S N -0.415 115.276 115.700 -0.014 0.000 2.481 122 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 122 S C 1.514 176.122 174.600 0.013 0.000 0.996 122 S CA 0.971 59.172 58.200 0.002 0.000 0.942 122 S CB -0.905 62.317 63.200 0.037 0.000 0.768 122 S HN 0.712 nan 8.310 nan 0.000 0.520 123 H N -0.561 118.492 119.070 -0.029 0.000 2.470 123 H HA 0.176 4.731 4.556 -0.001 0.000 0.289 123 H C 1.644 176.939 175.328 -0.055 0.000 1.033 123 H CA 1.086 57.109 56.048 -0.042 0.000 1.331 123 H CB -0.363 29.376 29.762 -0.039 0.000 1.414 123 H HN 0.202 nan 8.280 nan 0.000 0.545 124 V N 1.038 120.714 119.914 -0.397 0.000 2.488 124 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 124 V C 2.523 178.536 176.094 -0.135 0.000 1.046 124 V CA 1.142 63.295 62.300 -0.245 0.000 1.053 124 V CB -0.306 31.351 31.823 -0.278 0.000 0.679 124 V HN 0.401 nan 8.190 nan 0.000 0.458 125 V N 0.166 120.015 119.914 -0.109 0.000 2.287 125 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 125 V C 2.513 178.566 176.094 -0.068 0.000 1.053 125 V CA 2.620 64.883 62.300 -0.061 0.000 1.027 125 V CB -1.548 30.253 31.823 -0.036 0.000 0.646 125 V HN 0.566 nan 8.190 nan 0.000 0.447 126 T N 0.515 115.030 114.554 -0.065 0.000 2.529 126 T HA -0.355 3.995 4.350 -0.001 0.000 0.261 126 T C 1.905 176.526 174.700 -0.132 0.000 1.110 126 T CA 2.452 64.512 62.100 -0.068 0.000 1.192 126 T CB -0.476 68.373 68.868 -0.031 0.000 0.864 126 T HN 0.444 nan 8.240 nan 0.000 0.407 127 M N 0.421 119.908 119.600 -0.187 0.000 2.192 127 M HA -0.143 4.337 4.480 -0.001 0.000 0.256 127 M C 2.092 177.980 176.300 -0.687 0.000 1.076 127 M CA 1.728 56.799 55.300 -0.382 0.000 1.075 127 M CB -0.478 31.938 32.600 -0.306 0.000 1.368 127 M HN 0.277 nan 8.290 nan 0.000 0.406 128 L N -0.131 120.853 121.223 -0.398 0.000 2.109 128 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 128 L C 1.796 178.656 176.870 -0.018 0.000 1.086 128 L CA 1.323 56.063 54.840 -0.167 0.000 0.760 128 L CB -0.636 41.438 42.059 0.025 0.000 0.910 128 L HN 0.264 nan 8.230 nan 0.000 0.437 129 D N 0.064 120.422 120.400 -0.070 0.000 2.117 129 D HA -0.164 4.475 4.640 -0.001 0.000 0.197 129 D C 1.469 177.749 176.300 -0.034 0.000 0.987 129 D CA 1.295 55.276 54.000 -0.032 0.000 0.829 129 D CB -0.143 40.632 40.800 -0.041 0.000 0.961 129 D HN 0.286 nan 8.370 nan 0.000 0.460 130 N N -1.074 117.570 118.700 -0.094 0.000 2.270 130 N HA 0.067 4.806 4.740 -0.001 0.000 0.198 130 N C -0.491 175.035 175.510 0.027 0.000 1.117 130 N CA -0.313 52.711 53.050 -0.044 0.000 0.845 130 N CB 0.241 38.696 38.487 -0.054 0.000 0.980 130 N HN -0.037 nan 8.380 nan 0.000 0.486 131 F N 2.629 122.580 119.950 0.002 0.000 2.578 131 F HA 0.109 4.635 4.527 -0.001 0.000 0.381 131 F C -1.552 174.241 175.800 -0.011 0.000 1.069 131 F CA -2.738 55.263 58.000 0.002 0.000 1.231 131 F CB 0.012 39.016 39.000 0.007 0.000 1.086 131 F HN 0.027 nan 8.300 nan 0.000 0.564 132 P HA 0.059 nan 4.420 nan 0.000 0.271 132 P C 0.703 178.020 177.300 0.027 0.000 1.220 132 P CA 0.017 63.168 63.100 0.086 0.000 0.768 132 P CB 0.415 32.153 31.700 0.063 0.000 0.848 133 T N 1.105 115.653 114.554 -0.011 0.000 2.896 133 T HA -0.197 4.152 4.350 -0.001 0.000 0.270 133 T C 1.481 176.134 174.700 -0.078 0.000 1.104 133 T CA 1.734 63.792 62.100 -0.071 0.000 1.115 133 T CB -0.705 68.113 68.868 -0.082 0.000 0.843 133 T HN 0.647 nan 8.240 nan 0.000 0.523 134 N N 0.905 119.578 118.700 -0.045 0.000 2.409 134 N HA -0.058 4.681 4.740 -0.001 0.000 0.179 134 N C 0.756 176.237 175.510 -0.048 0.000 1.032 134 N CA 0.109 53.134 53.050 -0.041 0.000 0.898 134 N CB -0.223 38.253 38.487 -0.019 0.000 0.971 134 N HN 0.330 nan 8.380 nan 0.000 0.441 135 L N 2.768 123.952 121.223 -0.064 0.000 2.385 135 L HA 0.128 4.467 4.340 -0.001 0.000 0.281 135 L C 0.050 176.866 176.870 -0.091 0.000 1.106 135 L CA -0.289 54.494 54.840 -0.095 0.000 0.856 135 L CB -0.431 41.487 42.059 -0.235 0.000 1.186 135 L HN 0.147 nan 8.230 nan 0.000 0.453 136 H N 7.119 126.136 119.070 -0.088 0.000 3.163 136 H HA -0.068 4.488 4.556 -0.001 0.000 0.321 136 H C -1.505 173.781 175.328 -0.069 0.000 1.006 136 H CA 0.330 56.351 56.048 -0.045 0.000 1.344 136 H CB 0.807 30.541 29.762 -0.047 0.000 1.272 136 H HN 0.566 nan 8.280 nan 0.000 0.594 137 P HA -0.236 nan 4.420 nan 0.000 0.215 137 P C 1.315 178.735 177.300 0.200 0.000 1.157 137 P CA 1.450 64.706 63.100 0.261 0.000 0.868 137 P CB 0.167 32.117 31.700 0.415 0.000 0.788 138 M N -0.967 118.794 119.600 0.268 0.000 2.706 138 M HA -0.022 4.458 4.480 -0.001 0.000 0.251 138 M C 1.687 177.900 176.300 -0.144 0.000 1.070 138 M CA 1.029 56.271 55.300 -0.097 0.000 1.073 138 M CB -1.253 31.147 32.600 -0.333 0.000 1.449 138 M HN -0.047 nan 8.290 nan 0.000 0.531 139 S N -0.335 115.318 115.700 -0.078 0.000 2.545 139 S HA 0.045 4.515 4.470 -0.001 0.000 0.232 139 S C 1.671 176.156 174.600 -0.193 0.000 1.070 139 S CA 0.133 58.256 58.200 -0.127 0.000 0.923 139 S CB 0.376 63.524 63.200 -0.087 0.000 0.806 139 S HN 0.547 nan 8.310 nan 0.000 0.506 140 Q N 0.572 120.209 119.800 -0.273 0.000 2.311 140 Q HA 0.078 4.417 4.340 -0.001 0.000 0.203 140 Q C 1.937 177.949 176.000 0.021 0.000 0.954 140 Q CA 0.625 56.175 55.803 -0.420 0.000 0.885 140 Q CB -0.232 28.213 28.738 -0.488 0.000 0.963 140 Q HN 0.354 nan 8.270 nan 0.000 0.471 141 L N 0.851 122.085 121.223 0.018 0.000 2.007 141 L HA -0.124 4.216 4.340 -0.001 0.000 0.205 141 L C 2.508 179.412 176.870 0.056 0.000 1.073 141 L CA 2.099 56.978 54.840 0.065 0.000 0.744 141 L CB -0.901 41.170 42.059 0.019 0.000 0.898 141 L HN 0.149 nan 8.230 nan 0.000 0.435 142 S N -0.453 115.236 115.700 -0.018 0.000 2.380 142 S HA -0.289 4.181 4.470 -0.001 0.000 0.229 142 S C 2.125 176.748 174.600 0.038 0.000 1.043 142 S CA 1.724 59.902 58.200 -0.036 0.000 1.038 142 S CB -0.646 62.503 63.200 -0.086 0.000 0.872 142 S HN 0.658 nan 8.310 nan 0.000 0.456 143 A N 1.172 124.045 122.820 0.089 0.000 1.930 143 A HA 0.315 4.634 4.320 -0.001 0.000 0.217 143 A C 2.491 180.192 177.584 0.195 0.000 1.175 143 A CA 1.759 53.903 52.037 0.179 0.000 0.627 143 A CB -1.388 17.796 19.000 0.307 0.000 0.815 143 A HN 0.828 nan 8.150 nan 0.000 0.443 144 A N 0.433 123.379 122.820 0.210 0.000 1.835 144 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 144 A C 2.099 179.761 177.584 0.129 0.000 1.199 144 A CA 1.580 53.712 52.037 0.158 0.000 0.615 144 A CB -0.792 18.312 19.000 0.173 0.000 0.838 144 A HN 0.470 nan 8.150 nan 0.000 0.444 145 I N -0.174 120.494 120.570 0.163 0.000 2.145 145 I HA -0.301 3.868 4.170 -0.001 0.000 0.244 145 I C 2.588 178.832 176.117 0.212 0.000 1.075 145 I CA 1.983 63.419 61.300 0.228 0.000 1.332 145 I CB -0.906 37.242 38.000 0.246 0.000 1.033 145 I HN 0.306 nan 8.210 nan 0.000 0.410 146 T N 0.675 115.317 114.554 0.147 0.000 2.759 146 T HA -0.169 4.181 4.350 -0.001 0.000 0.269 146 T C 1.978 176.730 174.700 0.086 0.000 1.042 146 T CA 1.497 63.664 62.100 0.112 0.000 1.140 146 T CB -0.287 68.634 68.868 0.089 0.000 0.864 146 T HN 0.526 nan 8.240 nan 0.000 0.455 147 A N 0.963 123.838 122.820 0.091 0.000 1.929 147 A HA 0.188 4.507 4.320 -0.001 0.000 0.216 147 A C 2.153 179.766 177.584 0.048 0.000 1.176 147 A CA 0.753 52.844 52.037 0.089 0.000 0.628 147 A CB -0.672 18.383 19.000 0.091 0.000 0.816 147 A HN 0.470 nan 8.150 nan 0.000 0.444 148 L N 0.618 121.846 121.223 0.008 0.000 2.549 148 L HA -0.145 4.194 4.340 -0.001 0.000 0.229 148 L C 2.077 178.719 176.870 -0.380 0.000 1.158 148 L CA 1.020 55.802 54.840 -0.097 0.000 0.842 148 L CB -0.567 41.540 42.059 0.080 0.000 0.952 148 L HN 0.700 nan 8.230 nan 0.000 0.452 149 N N -0.841 117.709 118.700 -0.249 0.000 2.512 149 N HA -0.194 4.545 4.740 -0.001 0.000 0.183 149 N C 1.885 177.209 175.510 -0.309 0.000 1.073 149 N CA 1.057 53.875 53.050 -0.387 0.000 0.911 149 N CB -0.085 38.376 38.487 -0.043 0.000 0.964 149 N HN 0.267 nan 8.380 nan 0.000 0.447 150 S N 0.213 115.818 115.700 -0.159 0.000 2.383 150 S HA -0.193 4.276 4.470 -0.001 0.000 0.229 150 S C 1.488 176.033 174.600 -0.092 0.000 1.030 150 S CA 1.028 59.196 58.200 -0.054 0.000 1.002 150 S CB -0.535 62.723 63.200 0.098 0.000 0.829 150 S HN 0.447 nan 8.310 nan 0.000 0.467 151 E N 1.515 121.602 120.200 -0.188 0.000 2.482 151 E HA 0.067 4.416 4.350 -0.001 0.000 0.196 151 E C 0.546 177.056 176.600 -0.150 0.000 1.047 151 E CA 0.181 56.486 56.400 -0.158 0.000 0.869 151 E CB -0.099 29.495 29.700 -0.176 0.000 0.836 151 E HN 0.558 nan 8.360 nan 0.000 0.520 152 S N 1.891 117.458 115.700 -0.221 0.000 2.571 152 S HA -0.013 4.456 4.470 -0.001 0.000 0.297 152 S C 0.861 175.521 174.600 0.100 0.000 1.234 152 S CA -0.431 57.763 58.200 -0.010 0.000 1.120 152 S CB 0.200 63.414 63.200 0.023 0.000 0.923 152 S HN 0.075 nan 8.310 nan 0.000 0.504 153 N N 4.271 123.070 118.700 0.166 0.000 2.309 153 N HA -0.038 4.701 4.740 -0.001 0.000 0.182 153 N C 1.005 176.593 175.510 0.130 0.000 1.018 153 N CA 0.972 54.100 53.050 0.129 0.000 0.876 153 N CB -0.461 38.106 38.487 0.134 0.000 0.972 153 N HN 0.775 nan 8.380 nan 0.000 0.434 154 F N 1.396 121.393 119.950 0.078 0.000 2.187 154 F HA 0.103 4.629 4.527 -0.002 0.000 0.295 154 F C 2.159 178.007 175.800 0.080 0.000 1.091 154 F CA 0.886 58.925 58.000 0.066 0.000 1.308 154 F CB -0.229 38.794 39.000 0.038 0.000 1.030 154 F HN 0.018 nan 8.300 nan 0.000 0.487 155 A N 0.964 123.904 122.820 0.200 0.000 1.892 155 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 155 A C 2.418 180.020 177.584 0.030 0.000 1.188 155 A CA 1.797 53.902 52.037 0.113 0.000 0.631 155 A CB -0.841 18.218 19.000 0.098 0.000 0.822 155 A HN 0.397 nan 8.150 nan 0.000 0.447 156 R N -0.848 119.656 120.500 0.007 0.000 2.062 156 R HA -0.082 4.257 4.340 -0.001 0.000 0.231 156 R C 2.345 178.604 176.300 -0.067 0.000 1.136 156 R CA 1.375 57.465 56.100 -0.016 0.000 0.948 156 R CB -0.535 29.764 30.300 -0.002 0.000 0.845 156 R HN 0.492 nan 8.270 nan 0.000 0.430 157 A N -0.573 122.176 122.820 -0.118 0.000 2.216 157 A HA -0.161 4.158 4.320 -0.001 0.000 0.214 157 A C 1.738 179.151 177.584 -0.285 0.000 1.160 157 A CA 0.688 52.617 52.037 -0.179 0.000 0.725 157 A CB -0.489 18.408 19.000 -0.172 0.000 0.784 157 A HN 0.462 nan 8.150 nan 0.000 0.472 158 Y N 0.079 120.127 120.300 -0.420 0.000 2.153 158 Y HA -0.034 4.516 4.550 -0.001 0.000 0.289 158 Y C 2.725 178.534 175.900 -0.152 0.000 1.127 158 Y CA 1.349 59.229 58.100 -0.367 0.000 1.131 158 Y CB -0.317 37.953 38.460 -0.317 0.000 0.995 158 Y HN 0.339 nan 8.280 nan 0.000 0.505 159 A N 0.416 123.203 122.820 -0.055 0.000 1.873 159 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 159 A C 1.947 179.459 177.584 -0.120 0.000 1.193 159 A CA 2.340 54.343 52.037 -0.057 0.000 0.629 159 A CB -0.860 18.130 19.000 -0.016 0.000 0.826 159 A HN 0.647 nan 8.150 nan 0.000 0.447 160 E N -1.737 118.388 120.200 -0.125 0.000 2.347 160 E HA 0.227 4.577 4.350 -0.001 0.000 0.196 160 E C 0.862 177.375 176.600 -0.144 0.000 1.008 160 E CA 0.326 56.658 56.400 -0.114 0.000 0.852 160 E CB -0.180 29.466 29.700 -0.090 0.000 0.783 160 E HN 0.867 nan 8.360 nan 0.000 0.505 161 G N 2.069 110.737 108.800 -0.220 0.000 2.600 161 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.251 161 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.251 161 G C 0.136 174.931 174.900 -0.175 0.000 1.142 161 G CA 0.116 45.078 45.100 -0.229 0.000 0.994 161 G HN 0.276 nan 8.290 nan 0.000 0.511 162 I N -2.055 118.415 120.570 -0.168 0.000 3.211 162 I HA 0.809 4.978 4.170 -0.001 0.000 0.297 162 I C 0.411 176.461 176.117 -0.110 0.000 1.095 162 I CA -1.327 59.914 61.300 -0.098 0.000 1.239 162 I CB 0.780 38.759 38.000 -0.035 0.000 1.455 162 I HN 0.121 nan 8.210 nan 0.000 0.630 163 L N 3.955 125.086 121.223 -0.154 0.000 2.316 163 L HA 0.501 4.840 4.340 -0.001 0.000 0.280 163 L C 0.715 177.321 176.870 -0.440 0.000 1.006 163 L CA -0.224 54.464 54.840 -0.254 0.000 0.836 163 L CB 0.631 42.594 42.059 -0.159 0.000 1.221 163 L HN 0.695 nan 8.230 nan 0.000 0.418 164 R N 1.728 121.757 120.500 -0.786 0.000 3.272 164 R HA -0.343 3.996 4.340 -0.001 0.000 0.425 164 R C 1.419 177.423 176.300 -0.494 0.000 0.688 164 R CA 2.617 58.238 56.100 -0.799 0.000 0.235 164 R CB -2.171 27.964 30.300 -0.274 0.000 0.583 164 R HN 0.720 nan 8.270 nan 0.000 0.231 165 T N 1.328 115.767 114.554 -0.192 0.000 2.897 165 T HA -0.113 4.236 4.350 -0.001 0.000 0.271 165 T C 1.663 176.383 174.700 0.034 0.000 1.084 165 T CA 1.694 63.790 62.100 -0.007 0.000 1.123 165 T CB -0.112 68.751 68.868 -0.007 0.000 0.865 165 T HN 0.289 nan 8.240 nan 0.000 0.496 166 K N -0.307 120.039 120.400 -0.090 0.000 2.444 166 K HA 0.076 4.395 4.320 -0.001 0.000 0.193 166 K C 1.122 177.762 176.600 0.065 0.000 1.024 166 K CA -0.051 56.177 56.287 -0.099 0.000 1.077 166 K CB 0.049 32.479 32.500 -0.117 0.000 0.833 166 K HN 0.269 nan 8.250 nan 0.000 0.517 167 Y N 0.409 120.769 120.300 0.101 0.000 2.242 167 Y HA -0.262 4.287 4.550 -0.001 0.000 0.291 167 Y C 1.956 178.005 175.900 0.248 0.000 1.137 167 Y CA 0.585 58.858 58.100 0.288 0.000 1.181 167 Y CB -0.590 38.058 38.460 0.313 0.000 0.989 167 Y HN 0.357 nan 8.280 nan 0.000 0.527 168 W N 1.004 122.427 121.300 0.205 0.000 2.441 168 W HA -0.047 4.612 4.660 -0.002 0.000 0.302 168 W C 0.668 177.226 176.519 0.066 0.000 1.191 168 W CA 0.827 58.194 57.345 0.037 0.000 1.327 168 W CB -0.989 28.399 29.460 -0.120 0.000 1.128 168 W HN 0.080 nan 8.180 nan 0.000 0.522 169 E N 1.592 121.134 120.200 -1.095 0.000 2.412 169 E HA -0.115 4.234 4.350 -0.001 0.000 0.207 169 E C 1.015 177.450 176.600 -0.275 0.000 1.252 169 E CA 1.061 56.814 56.400 -1.079 0.000 1.004 169 E CB -0.682 28.184 29.700 -1.389 0.000 1.027 169 E HN 0.593 nan 8.360 nan 0.000 0.517 170 M N -4.974 114.661 119.600 0.059 0.000 2.309 170 M HA 0.118 4.597 4.480 -0.001 0.000 0.438 170 M C 0.822 177.299 176.300 0.295 0.000 1.004 170 M CA -0.054 55.365 55.300 0.198 0.000 1.024 170 M CB 0.656 33.357 32.600 0.168 0.000 2.095 170 M HN -0.074 nan 8.290 nan 0.000 0.701 171 V N 0.478 120.536 119.914 0.240 0.000 3.608 171 V HA -0.000 4.119 4.120 -0.001 0.000 0.269 171 V C 1.750 177.925 176.094 0.136 0.000 1.245 171 V CA 1.135 63.481 62.300 0.077 0.000 1.138 171 V CB -0.266 31.500 31.823 -0.096 0.000 0.841 171 V HN 0.619 nan 8.190 nan 0.000 0.451 172 Y N 0.645 121.000 120.300 0.091 0.000 2.230 172 Y HA -0.054 4.496 4.550 -0.001 0.000 0.294 172 Y C 2.509 178.480 175.900 0.119 0.000 1.120 172 Y CA 1.376 59.551 58.100 0.124 0.000 1.129 172 Y CB 0.223 38.794 38.460 0.184 0.000 1.040 172 Y HN 0.177 nan 8.280 nan 0.000 0.519 173 E N 0.334 120.807 120.200 0.455 0.000 2.097 173 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 173 E C 2.276 178.985 176.600 0.181 0.000 1.000 173 E CA 1.574 58.169 56.400 0.325 0.000 0.804 173 E CB -0.382 29.476 29.700 0.263 0.000 0.740 173 E HN 0.460 nan 8.360 nan 0.000 0.454 174 S N 0.852 116.652 115.700 0.166 0.000 2.368 174 S HA -0.097 4.372 4.470 -0.001 0.000 0.224 174 S C 2.104 176.611 174.600 -0.156 0.000 1.029 174 S CA 0.935 59.223 58.200 0.147 0.000 0.988 174 S CB -0.234 63.109 63.200 0.237 0.000 0.838 174 S HN 0.420 nan 8.310 nan 0.000 0.462 175 A N 2.503 125.236 122.820 -0.145 0.000 1.869 175 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 175 A C 2.183 179.568 177.584 -0.332 0.000 1.203 175 A CA 1.913 53.798 52.037 -0.253 0.000 0.638 175 A CB -0.712 18.186 19.000 -0.171 0.000 0.831 175 A HN 0.409 nan 8.150 nan 0.000 0.450 176 M N -0.764 118.687 119.600 -0.248 0.000 2.175 176 M HA -0.108 4.371 4.480 -0.001 0.000 0.264 176 M C 1.477 177.652 176.300 -0.208 0.000 1.063 176 M CA 1.406 56.602 55.300 -0.174 0.000 1.119 176 M CB -1.342 31.288 32.600 0.050 0.000 1.377 176 M HN 0.355 nan 8.290 nan 0.000 0.415 177 D N 0.876 121.209 120.400 -0.112 0.000 2.144 177 D HA -0.126 4.513 4.640 -0.001 0.000 0.199 177 D C 1.984 178.165 176.300 -0.198 0.000 0.984 177 D CA 0.825 54.787 54.000 -0.065 0.000 0.834 177 D CB -0.382 40.473 40.800 0.090 0.000 0.955 177 D HN 0.201 nan 8.370 nan 0.000 0.465 178 L N 0.948 121.938 121.223 -0.389 0.000 1.956 178 L HA -0.184 4.155 4.340 -0.001 0.000 0.216 178 L C 2.201 178.779 176.870 -0.487 0.000 1.073 178 L CA 1.597 56.116 54.840 -0.535 0.000 0.762 178 L CB -0.452 41.109 42.059 -0.830 0.000 0.889 178 L HN 0.017 nan 8.230 nan 0.000 0.433 179 I N -0.430 119.736 120.570 -0.672 0.000 2.335 179 I HA -0.313 3.857 4.170 -0.001 0.000 0.251 179 I C 2.590 178.338 176.117 -0.616 0.000 1.129 179 I CA 1.146 61.946 61.300 -0.833 0.000 1.402 179 I CB -1.047 36.070 38.000 -1.473 0.000 1.069 179 I HN 0.431 nan 8.210 nan 0.000 0.424 180 A N 2.143 124.604 122.820 -0.599 0.000 1.873 180 A HA -0.188 4.131 4.320 -0.001 0.000 0.215 180 A C 1.995 179.528 177.584 -0.084 0.000 1.186 180 A CA 1.586 53.461 52.037 -0.270 0.000 0.616 180 A CB -0.419 18.514 19.000 -0.112 0.000 0.823 180 A HN 0.503 nan 8.150 nan 0.000 0.442 181 K N -0.232 120.102 120.400 -0.111 0.000 2.500 181 K HA 0.486 4.805 4.320 -0.001 0.000 0.206 181 K C 0.977 177.511 176.600 -0.110 0.000 1.034 181 K CA -0.126 56.115 56.287 -0.076 0.000 1.179 181 K CB 0.101 32.590 32.500 -0.019 0.000 0.884 181 K HN 0.373 nan 8.250 nan 0.000 0.493 182 L N 1.715 122.835 121.223 -0.172 0.000 2.068 182 L HA -0.006 4.333 4.340 -0.001 0.000 0.204 182 L C -0.753 175.917 176.870 -0.333 0.000 1.076 182 L CA 0.841 55.567 54.840 -0.191 0.000 0.753 182 L CB -0.338 41.605 42.059 -0.193 0.000 0.910 182 L HN 0.156 nan 8.230 nan 0.000 0.439 183 P HA -0.090 nan 4.420 nan 0.000 0.226 183 P C 1.462 178.531 177.300 -0.386 0.000 1.153 183 P CA 1.175 63.718 63.100 -0.928 0.000 0.777 183 P CB -0.219 30.838 31.700 -1.071 0.000 0.794 184 C N -1.109 118.073 119.300 -0.196 0.000 2.505 184 C HA 0.007 4.466 4.460 -0.001 0.000 0.279 184 C C 2.915 177.905 174.990 0.001 0.000 1.316 184 C CA 0.210 59.197 59.018 -0.051 0.000 1.720 184 C CB -1.285 26.438 27.740 -0.028 0.000 2.050 184 C HN 0.099 nan 8.230 nan 0.000 0.493 185 V N 1.700 121.606 119.914 -0.014 0.000 2.261 185 V HA -0.194 3.925 4.120 -0.001 0.000 0.246 185 V C 2.757 178.919 176.094 0.114 0.000 1.047 185 V CA 2.393 64.724 62.300 0.053 0.000 1.015 185 V CB -1.298 30.561 31.823 0.059 0.000 0.642 185 V HN 0.564 nan 8.190 nan 0.000 0.446 186 A N -0.271 122.601 122.820 0.087 0.000 2.019 186 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 186 A C 2.349 180.187 177.584 0.425 0.000 1.164 186 A CA 1.865 54.050 52.037 0.246 0.000 0.644 186 A CB -0.634 18.468 19.000 0.171 0.000 0.805 186 A HN 0.576 nan 8.150 nan 0.000 0.449 187 A N -0.391 122.632 122.820 0.339 0.000 1.930 187 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 187 A C 2.089 179.828 177.584 0.258 0.000 1.175 187 A CA 1.813 54.059 52.037 0.349 0.000 0.627 187 A CB -0.337 18.828 19.000 0.276 0.000 0.815 187 A HN 0.502 nan 8.150 nan 0.000 0.443 188 K N -0.667 119.856 120.400 0.204 0.000 2.155 188 K HA 0.043 4.363 4.320 -0.001 0.000 0.203 188 K C 1.671 178.382 176.600 0.185 0.000 1.052 188 K CA 0.930 57.314 56.287 0.161 0.000 0.948 188 K CB -0.223 32.348 32.500 0.118 0.000 0.728 188 K HN 0.484 nan 8.250 nan 0.000 0.448 189 I N -0.081 120.643 120.570 0.256 0.000 2.133 189 I HA -0.283 3.886 4.170 -0.001 0.000 0.238 189 I C 1.963 178.206 176.117 0.210 0.000 1.074 189 I CA 1.056 62.515 61.300 0.264 0.000 1.342 189 I CB -0.317 37.898 38.000 0.359 0.000 1.053 189 I HN 0.165 nan 8.210 nan 0.000 0.404 190 Y N 1.603 121.954 120.300 0.086 0.000 1.978 190 Y HA -0.424 4.125 4.550 -0.001 0.000 0.247 190 Y C 2.763 178.646 175.900 -0.029 0.000 1.102 190 Y CA 2.050 60.111 58.100 -0.065 0.000 1.069 190 Y CB -0.777 37.562 38.460 -0.202 0.000 0.954 190 Y HN -0.045 nan 8.280 nan 0.000 0.488 191 R N 0.285 120.853 120.500 0.113 0.000 2.261 191 R HA -0.364 3.975 4.340 -0.001 0.000 0.252 191 R C 2.163 178.429 176.300 -0.058 0.000 1.116 191 R CA 2.724 58.841 56.100 0.029 0.000 0.942 191 R CB -0.916 29.469 30.300 0.141 0.000 0.932 191 R HN 0.653 nan 8.270 nan 0.000 0.441 192 N N -0.853 117.837 118.700 -0.016 0.000 2.061 192 N HA -0.214 4.526 4.740 -0.001 0.000 0.193 192 N C 1.461 176.878 175.510 -0.154 0.000 1.030 192 N CA 1.232 54.255 53.050 -0.044 0.000 0.856 192 N CB -0.099 38.400 38.487 0.020 0.000 1.023 192 N HN 0.053 nan 8.380 nan 0.000 0.424 193 L N -0.139 120.909 121.223 -0.291 0.000 1.982 193 L HA -0.112 4.228 4.340 -0.001 0.000 0.206 193 L C 1.328 177.797 176.870 -0.669 0.000 1.078 193 L CA 1.806 56.272 54.840 -0.623 0.000 0.749 193 L CB -0.943 40.407 42.059 -1.182 0.000 0.894 193 L HN 0.247 nan 8.230 nan 0.000 0.436 194 Y N -2.452 117.647 120.300 -0.334 0.000 2.458 194 Y HA 0.264 4.813 4.550 -0.001 0.000 0.254 194 Y C 1.093 176.755 175.900 -0.397 0.000 1.120 194 Y CA -0.384 57.460 58.100 -0.427 0.000 1.282 194 Y CB 0.078 38.166 38.460 -0.620 0.000 1.109 194 Y HN -0.068 nan 8.280 nan 0.000 0.526 195 R N 1.215 121.559 120.500 -0.260 0.000 3.130 195 R HA 0.493 4.832 4.340 -0.001 0.000 0.348 195 R C 0.444 176.696 176.300 -0.080 0.000 1.241 195 R CA -0.746 55.273 56.100 -0.136 0.000 1.141 195 R CB -0.609 29.655 30.300 -0.059 0.000 1.453 195 R HN 0.199 nan 8.270 nan 0.000 0.590 196 A N 0.275 123.042 122.820 -0.089 0.000 2.596 196 A HA -0.196 4.123 4.320 -0.001 0.000 0.300 196 A C 1.205 178.760 177.584 -0.049 0.000 1.495 196 A CA 0.951 52.950 52.037 -0.064 0.000 0.769 196 A CB -2.025 16.948 19.000 -0.045 0.000 1.047 196 A HN 0.777 nan 8.150 nan 0.000 0.436 197 G N -0.755 108.010 108.800 -0.059 0.000 2.450 197 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.302 197 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.302 197 G C 0.721 175.616 174.900 -0.008 0.000 0.957 197 G CA 1.479 46.560 45.100 -0.031 0.000 1.005 197 G HN 2.598 nan 8.290 nan 0.000 0.514 198 S N -0.899 114.800 115.700 -0.001 0.000 2.632 198 S HA 0.742 5.211 4.470 -0.001 0.000 0.267 198 S C 0.927 175.543 174.600 0.027 0.000 1.193 198 S CA 0.388 58.594 58.200 0.011 0.000 1.003 198 S CB 0.960 64.168 63.200 0.013 0.000 1.073 198 S HN 1.166 nan 8.310 nan 0.000 0.553 199 S N 0.800 116.519 115.700 0.031 0.000 2.580 199 S HA 0.275 4.744 4.470 -0.001 0.000 0.274 199 S C 1.305 175.940 174.600 0.059 0.000 1.329 199 S CA -0.327 57.896 58.200 0.039 0.000 1.036 199 S CB 0.417 63.636 63.200 0.032 0.000 0.919 199 S HN 0.828 nan 8.310 nan 0.000 0.515 200 I N -0.193 120.416 120.570 0.065 0.000 3.059 200 I HA 0.329 4.498 4.170 -0.001 0.000 0.270 200 I C 0.859 177.017 176.117 0.068 0.000 1.238 200 I CA 0.789 62.138 61.300 0.081 0.000 1.478 200 I CB -0.963 37.087 38.000 0.083 0.000 1.097 200 I HN 0.939 nan 8.210 nan 0.000 0.455 201 G N 1.147 109.978 108.800 0.052 0.000 2.660 201 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.247 201 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.247 201 G C -0.175 174.747 174.900 0.037 0.000 1.328 201 G CA -0.262 44.864 45.100 0.044 0.000 0.884 201 G HN 0.863 nan 8.290 nan 0.000 0.531 202 A N -0.953 121.886 122.820 0.032 0.000 2.388 202 A HA 0.845 5.164 4.320 -0.001 0.000 0.280 202 A C 0.333 177.934 177.584 0.028 0.000 1.377 202 A CA 0.160 52.213 52.037 0.026 0.000 0.863 202 A CB 0.528 19.539 19.000 0.019 0.000 1.416 202 A HN 1.494 nan 8.150 nan 0.000 0.517 203 I N 0.025 120.608 120.570 0.022 0.000 2.497 203 I HA 0.192 4.361 4.170 -0.001 0.000 0.284 203 I C -1.527 174.599 176.117 0.015 0.000 1.060 203 I CA -0.415 60.900 61.300 0.025 0.000 1.071 203 I CB 1.742 39.762 38.000 0.032 0.000 1.216 203 I HN 0.681 nan 8.210 nan 0.000 0.442 204 D N 4.271 124.675 120.400 0.007 0.000 2.313 204 D HA 0.143 4.782 4.640 -0.001 0.000 0.239 204 D C 1.124 177.420 176.300 -0.007 0.000 1.142 204 D CA -0.211 53.783 54.000 -0.010 0.000 0.847 204 D CB 1.439 42.220 40.800 -0.032 0.000 1.082 204 D HN 0.493 nan 8.370 nan 0.000 0.480 205 S N 3.638 119.334 115.700 -0.008 0.000 2.423 205 S HA -0.216 4.253 4.470 -0.001 0.000 0.231 205 S C 1.518 176.103 174.600 -0.024 0.000 1.014 205 S CA 0.716 58.909 58.200 -0.012 0.000 0.965 205 S CB -0.264 62.926 63.200 -0.016 0.000 0.785 205 S HN 0.537 nan 8.310 nan 0.000 0.495 206 K N 1.393 121.776 120.400 -0.030 0.000 2.152 206 K HA 0.051 4.370 4.320 -0.001 0.000 0.206 206 K C 0.641 177.217 176.600 -0.040 0.000 1.048 206 K CA 0.639 56.904 56.287 -0.036 0.000 0.933 206 K CB -0.660 31.816 32.500 -0.040 0.000 0.721 206 K HN 0.421 nan 8.250 nan 0.000 0.447 207 L N 2.443 123.638 121.223 -0.046 0.000 2.439 207 L HA 0.123 4.462 4.340 -0.001 0.000 0.261 207 L C 0.314 177.216 176.870 0.054 0.000 1.153 207 L CA -0.834 53.984 54.840 -0.036 0.000 0.808 207 L CB 0.230 42.216 42.059 -0.121 0.000 1.126 207 L HN 0.239 nan 8.230 nan 0.000 0.460 208 D N -0.369 120.104 120.400 0.122 0.000 2.217 208 D HA -0.008 4.631 4.640 -0.001 0.000 0.248 208 D C 0.634 177.117 176.300 0.305 0.000 1.008 208 D CA -0.702 53.405 54.000 0.178 0.000 0.914 208 D CB 1.550 42.444 40.800 0.157 0.000 1.182 208 D HN 0.632 nan 8.370 nan 0.000 0.451 209 W N 2.424 123.826 121.300 0.170 0.000 2.269 209 W HA -0.326 4.333 4.660 -0.001 0.000 0.336 209 W C 2.351 178.967 176.519 0.161 0.000 1.333 209 W CA 2.794 60.263 57.345 0.206 0.000 1.299 209 W CB -0.830 28.825 29.460 0.324 0.000 1.126 209 W HN 0.434 nan 8.180 nan 0.000 0.474 210 S N -1.993 113.902 115.700 0.326 0.000 2.402 210 S HA -0.304 4.165 4.470 -0.001 0.000 0.233 210 S C 1.529 176.135 174.600 0.010 0.000 1.030 210 S CA 1.743 59.994 58.200 0.086 0.000 1.003 210 S CB -0.612 62.637 63.200 0.081 0.000 0.813 210 S HN 0.534 nan 8.310 nan 0.000 0.477 211 H N 0.334 119.408 119.070 0.006 0.000 2.306 211 H HA 0.107 4.662 4.556 -0.001 0.000 0.307 211 H C 2.254 177.587 175.328 0.008 0.000 1.061 211 H CA 1.170 57.212 56.048 -0.009 0.000 1.359 211 H CB -0.050 29.724 29.762 0.020 0.000 1.407 211 H HN 0.295 nan 8.280 nan 0.000 0.517 212 N N -0.281 118.542 118.700 0.205 0.000 2.192 212 N HA -0.195 4.544 4.740 -0.001 0.000 0.188 212 N C 1.541 177.122 175.510 0.118 0.000 1.013 212 N CA 0.932 54.052 53.050 0.116 0.000 0.863 212 N CB -0.109 38.422 38.487 0.073 0.000 0.990 212 N HN 0.220 nan 8.380 nan 0.000 0.430 213 F N 1.237 121.080 119.950 -0.178 0.000 2.095 213 F HA -0.161 4.366 4.527 -0.001 0.000 0.298 213 F C 2.407 178.098 175.800 -0.182 0.000 1.104 213 F CA 1.305 59.142 58.000 -0.272 0.000 1.232 213 F CB -1.077 37.636 39.000 -0.478 0.000 0.987 213 F HN -0.025 nan 8.300 nan 0.000 0.475 214 T N 0.213 114.724 114.554 -0.072 0.000 2.904 214 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 214 T C 1.937 176.648 174.700 0.018 0.000 1.059 214 T CA 1.270 63.252 62.100 -0.197 0.000 1.137 214 T CB -0.403 68.314 68.868 -0.253 0.000 0.879 214 T HN 0.374 nan 8.240 nan 0.000 0.467 215 N N -0.011 118.755 118.700 0.110 0.000 2.424 215 N HA 0.070 4.809 4.740 -0.001 0.000 0.178 215 N C 1.800 177.378 175.510 0.112 0.000 1.060 215 N CA 0.453 53.589 53.050 0.143 0.000 0.901 215 N CB -0.058 38.542 38.487 0.189 0.000 0.979 215 N HN 0.412 nan 8.380 nan 0.000 0.451 216 M N 0.192 119.861 119.600 0.115 0.000 2.325 216 M HA 0.082 4.562 4.480 -0.001 0.000 0.265 216 M C 2.021 178.393 176.300 0.121 0.000 1.094 216 M CA 0.344 55.718 55.300 0.123 0.000 1.161 216 M CB -0.012 32.675 32.600 0.145 0.000 1.358 216 M HN 0.076 nan 8.290 nan 0.000 0.446 217 L N 0.641 121.896 121.223 0.054 0.000 2.270 217 L HA -0.174 4.165 4.340 -0.001 0.000 0.217 217 L C 0.675 177.595 176.870 0.084 0.000 1.107 217 L CA 1.062 55.822 54.840 -0.134 0.000 0.772 217 L CB -1.200 40.518 42.059 -0.567 0.000 0.902 217 L HN 0.651 nan 8.230 nan 0.000 0.439 218 G N -0.474 108.427 108.800 0.169 0.000 2.374 218 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.289 218 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.289 218 G C -0.484 174.663 174.900 0.412 0.000 1.004 218 G CA 0.005 45.250 45.100 0.242 0.000 1.292 218 G HN 0.454 nan 8.290 nan 0.000 0.502 219 Y N -0.983 119.334 120.300 0.029 0.000 2.512 219 Y HA 0.560 5.109 4.550 -0.001 0.000 0.348 219 Y C 1.450 177.397 175.900 0.078 0.000 0.990 219 Y CA -0.544 57.569 58.100 0.022 0.000 1.033 219 Y CB 2.469 40.940 38.460 0.019 0.000 1.259 219 Y HN 0.368 nan 8.280 nan 0.000 0.461 220 T N -3.661 111.003 114.554 0.183 0.000 2.966 220 T HA 0.015 4.364 4.350 -0.001 0.000 0.254 220 T C 0.130 174.909 174.700 0.131 0.000 0.961 220 T CA -0.237 61.948 62.100 0.142 0.000 0.915 220 T CB 0.083 68.996 68.868 0.076 0.000 1.186 220 T HN 0.546 nan 8.240 nan 0.000 0.505 221 D N 2.023 122.504 120.400 0.134 0.000 2.581 221 D HA 0.102 4.741 4.640 -0.001 0.000 0.238 221 D C 1.459 177.821 176.300 0.103 0.000 1.145 221 D CA 0.570 54.649 54.000 0.132 0.000 0.866 221 D CB 1.225 42.134 40.800 0.181 0.000 1.151 221 D HN 0.376 nan 8.370 nan 0.000 0.500 222 A N 4.948 127.805 122.820 0.061 0.000 1.972 222 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 222 A C 1.993 179.543 177.584 -0.057 0.000 1.169 222 A CA 1.001 53.041 52.037 0.006 0.000 0.635 222 A CB -0.147 18.873 19.000 0.034 0.000 0.810 222 A HN 0.606 nan 8.150 nan 0.000 0.446 223 Q N -1.494 118.292 119.800 -0.023 0.000 2.124 223 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 223 Q C 1.794 177.650 176.000 -0.240 0.000 0.977 223 Q CA 1.098 56.838 55.803 -0.104 0.000 0.850 223 Q CB -0.543 28.188 28.738 -0.013 0.000 0.901 223 Q HN 0.695 nan 8.270 nan 0.000 0.429 224 F N 1.592 121.317 119.950 -0.375 0.000 2.120 224 F HA -0.238 4.289 4.527 -0.001 0.000 0.300 224 F C 2.055 177.645 175.800 -0.350 0.000 1.095 224 F CA 1.910 59.642 58.000 -0.446 0.000 1.249 224 F CB -0.430 38.458 39.000 -0.187 0.000 0.995 224 F HN 0.063 nan 8.300 nan 0.000 0.480 225 T N -0.872 113.387 114.554 -0.491 0.000 2.985 225 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 225 T C 1.789 176.199 174.700 -0.483 0.000 1.076 225 T CA 0.992 62.738 62.100 -0.590 0.000 1.135 225 T CB -0.227 68.266 68.868 -0.625 0.000 0.890 225 T HN 0.231 nan 8.240 nan 0.000 0.480 226 E N 0.920 120.909 120.200 -0.351 0.000 2.153 226 E HA -0.047 4.302 4.350 -0.001 0.000 0.194 226 E C 2.074 178.501 176.600 -0.289 0.000 0.988 226 E CA 0.698 56.968 56.400 -0.216 0.000 0.811 226 E CB -0.194 29.456 29.700 -0.084 0.000 0.746 226 E HN 0.389 nan 8.360 nan 0.000 0.466 227 L N -0.198 120.730 121.223 -0.491 0.000 2.270 227 L HA -0.023 4.317 4.340 -0.001 0.000 0.210 227 L C 2.098 178.679 176.870 -0.481 0.000 1.104 227 L CA 0.884 55.342 54.840 -0.636 0.000 0.804 227 L CB -0.138 41.508 42.059 -0.690 0.000 0.937 227 L HN -0.013 nan 8.230 nan 0.000 0.450 228 M N -0.174 119.056 119.600 -0.617 0.000 2.086 228 M HA -0.129 4.350 4.480 -0.001 0.000 0.261 228 M C 2.361 178.550 176.300 -0.186 0.000 1.067 228 M CA 1.645 56.635 55.300 -0.516 0.000 1.116 228 M CB -0.682 31.509 32.600 -0.681 0.000 1.348 228 M HN 0.198 nan 8.290 nan 0.000 0.407 229 R N -0.794 119.616 120.500 -0.149 0.000 2.105 229 R HA -0.165 4.174 4.340 -0.001 0.000 0.239 229 R C 2.025 178.357 176.300 0.052 0.000 1.135 229 R CA 1.480 57.577 56.100 -0.004 0.000 0.967 229 R CB -0.823 29.459 30.300 -0.032 0.000 0.861 229 R HN 0.344 nan 8.270 nan 0.000 0.442 230 L N -0.814 120.404 121.223 -0.008 0.000 2.249 230 L HA -0.025 4.314 4.340 -0.001 0.000 0.207 230 L C 1.943 178.868 176.870 0.091 0.000 1.090 230 L CA 1.312 56.158 54.840 0.011 0.000 0.802 230 L CB -0.461 41.532 42.059 -0.111 0.000 0.947 230 L HN 0.014 nan 8.230 nan 0.000 0.453 231 Y N -0.179 120.098 120.300 -0.039 0.000 2.286 231 Y HA -0.030 4.519 4.550 -0.001 0.000 0.293 231 Y C 2.013 178.047 175.900 0.223 0.000 1.124 231 Y CA 1.616 59.762 58.100 0.077 0.000 1.178 231 Y CB -0.210 38.181 38.460 -0.116 0.000 1.010 231 Y HN 0.189 nan 8.280 nan 0.000 0.536 232 L N -0.994 120.513 121.223 0.473 0.000 2.217 232 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 232 L C 2.338 179.410 176.870 0.338 0.000 1.107 232 L CA 1.561 56.682 54.840 0.467 0.000 0.783 232 L CB -0.700 41.636 42.059 0.461 0.000 0.919 232 L HN 0.136 nan 8.230 nan 0.000 0.442 233 T N 0.498 115.203 114.554 0.251 0.000 2.668 233 T HA -0.137 4.212 4.350 -0.001 0.000 0.262 233 T C 1.869 176.664 174.700 0.158 0.000 1.045 233 T CA 1.754 63.955 62.100 0.167 0.000 1.152 233 T CB -0.188 68.765 68.868 0.142 0.000 0.864 233 T HN 0.448 nan 8.240 nan 0.000 0.419 234 I N -0.375 120.289 120.570 0.157 0.000 2.454 234 I HA -0.121 4.049 4.170 -0.001 0.000 0.254 234 I C 1.684 177.731 176.117 -0.117 0.000 1.156 234 I CA 1.730 63.074 61.300 0.072 0.000 1.433 234 I CB -0.571 37.400 38.000 -0.049 0.000 1.082 234 I HN 0.250 nan 8.210 nan 0.000 0.432 235 H N 1.278 120.414 119.070 0.109 0.000 2.539 235 H HA 0.119 4.674 4.556 -0.001 0.000 0.269 235 H C 2.376 177.882 175.328 0.297 0.000 0.980 235 H CA 0.559 56.746 56.048 0.232 0.000 1.152 235 H CB 0.008 29.893 29.762 0.204 0.000 1.407 235 H HN 0.551 nan 8.280 nan 0.000 0.564 236 S N -0.306 115.539 115.700 0.242 0.000 2.462 236 S HA -0.155 4.314 4.470 -0.001 0.000 0.219 236 S C 0.848 175.560 174.600 0.187 0.000 1.048 236 S CA 1.282 59.574 58.200 0.154 0.000 1.119 236 S CB -0.075 63.125 63.200 -0.000 0.000 1.100 236 S HN 0.309 nan 8.310 nan 0.000 0.411 237 D N -0.925 119.623 120.400 0.247 0.000 2.450 237 D HA 0.565 5.204 4.640 -0.001 0.000 0.238 237 D C -1.085 175.534 176.300 0.532 0.000 1.020 237 D CA -0.430 53.783 54.000 0.356 0.000 1.010 237 D CB 1.354 42.341 40.800 0.312 0.000 1.342 237 D HN 0.520 nan 8.370 nan 0.000 0.530 238 H N 2.017 121.248 119.070 0.269 0.000 3.800 238 H HA 0.089 4.644 4.556 -0.001 0.000 0.501 238 H C -0.835 174.511 175.328 0.030 0.000 1.751 238 H CA -0.141 56.008 56.048 0.168 0.000 1.651 238 H CB 0.003 29.863 29.762 0.163 0.000 2.581 238 H HN 0.666 nan 8.280 nan 0.000 0.618 239 E N 0.254 120.433 120.200 -0.035 0.000 9.212 239 E HA -0.177 4.172 4.350 -0.001 0.000 0.454 239 E C 0.503 176.588 176.600 -0.859 0.000 1.405 239 E CA 0.920 57.189 56.400 -0.217 0.000 2.440 239 E CB -0.746 28.852 29.700 -0.171 0.000 1.035 239 E HN 0.731 nan 8.360 nan 0.000 0.400 240 G N -0.111 107.936 108.800 -1.255 0.000 3.088 240 G HA2 0.264 4.223 3.960 -0.001 0.000 0.217 240 G HA3 0.264 4.223 3.960 -0.001 0.000 0.217 240 G C 0.898 175.423 174.900 -0.625 0.000 1.159 240 G CA 0.487 44.606 45.100 -1.634 0.000 0.760 240 G HN 0.555 nan 8.290 nan 0.000 0.550 241 G N 0.470 109.024 108.800 -0.410 0.000 3.141 241 G HA2 0.137 4.096 3.960 -0.001 0.000 0.218 241 G HA3 0.137 4.096 3.960 -0.001 0.000 0.218 241 G C 0.498 175.300 174.900 -0.163 0.000 1.170 241 G CA -0.219 44.700 45.100 -0.301 0.000 0.769 241 G HN 0.557 nan 8.290 nan 0.000 0.546 242 N N -0.908 117.712 118.700 -0.133 0.000 2.476 242 N HA 0.294 5.033 4.740 -0.001 0.000 0.275 242 N C 1.164 176.658 175.510 -0.027 0.000 1.190 242 N CA -0.572 52.420 53.050 -0.097 0.000 0.977 242 N CB 1.537 39.974 38.487 -0.083 0.000 1.200 242 N HN -0.210 nan 8.380 nan 0.000 0.515 243 V N 0.480 120.315 119.914 -0.133 0.000 2.233 243 V HA -0.367 3.752 4.120 -0.001 0.000 0.252 243 V C 2.323 178.535 176.094 0.197 0.000 1.063 243 V CA 2.751 65.094 62.300 0.072 0.000 1.032 243 V CB -1.382 30.527 31.823 0.143 0.000 0.645 243 V HN 0.895 nan 8.190 nan 0.000 0.446 244 S N 1.315 117.214 115.700 0.332 0.000 2.398 244 S HA -0.276 4.193 4.470 -0.001 0.000 0.220 244 S C 2.171 176.869 174.600 0.163 0.000 1.038 244 S CA 1.665 59.985 58.200 0.201 0.000 1.080 244 S CB -1.188 62.085 63.200 0.123 0.000 1.039 244 S HN 0.726 nan 8.310 nan 0.000 0.419 245 A N 1.992 124.909 122.820 0.162 0.000 1.859 245 A HA -0.273 4.046 4.320 -0.001 0.000 0.217 245 A C 2.150 179.873 177.584 0.232 0.000 1.198 245 A CA 2.160 54.302 52.037 0.176 0.000 0.629 245 A CB -1.760 17.239 19.000 -0.002 0.000 0.830 245 A HN 0.806 nan 8.150 nan 0.000 0.446 246 H N -1.043 118.041 119.070 0.023 0.000 2.400 246 H HA -0.161 4.394 4.556 -0.001 0.000 0.295 246 H C 1.975 177.394 175.328 0.151 0.000 1.118 246 H CA 1.706 57.785 56.048 0.052 0.000 1.256 246 H CB 0.169 29.933 29.762 0.004 0.000 1.365 246 H HN 0.515 nan 8.280 nan 0.000 0.502 247 T N -0.648 113.989 114.554 0.138 0.000 2.978 247 T HA -0.107 4.242 4.350 -0.001 0.000 0.262 247 T C 2.292 177.049 174.700 0.095 0.000 1.063 247 T CA 0.937 63.062 62.100 0.040 0.000 1.140 247 T CB -0.126 68.751 68.868 0.015 0.000 0.886 247 T HN 0.489 nan 8.240 nan 0.000 0.470 248 S N 1.328 117.128 115.700 0.166 0.000 2.368 248 S HA -0.207 4.263 4.470 -0.001 0.000 0.225 248 S C 1.858 176.573 174.600 0.191 0.000 1.030 248 S CA 1.372 59.680 58.200 0.181 0.000 0.999 248 S CB -0.730 62.615 63.200 0.241 0.000 0.844 248 S HN 0.585 nan 8.310 nan 0.000 0.459 249 H N 1.181 120.350 119.070 0.166 0.000 2.353 249 H HA 0.077 4.632 4.556 -0.001 0.000 0.300 249 H C 1.958 177.368 175.328 0.136 0.000 1.090 249 H CA 1.707 57.878 56.048 0.204 0.000 1.327 249 H CB -0.414 29.549 29.762 0.335 0.000 1.383 249 H HN 0.332 nan 8.280 nan 0.000 0.508 250 L N -0.685 120.612 121.223 0.123 0.000 2.068 250 L HA -0.033 4.306 4.340 -0.001 0.000 0.204 250 L C 2.256 179.116 176.870 -0.017 0.000 1.076 250 L CA 1.113 55.957 54.840 0.007 0.000 0.753 250 L CB -0.532 41.456 42.059 -0.119 0.000 0.910 250 L HN 0.196 nan 8.230 nan 0.000 0.439 251 V N -0.386 119.523 119.914 -0.008 0.000 2.488 251 V HA -0.051 4.068 4.120 -0.001 0.000 0.246 251 V C 2.447 178.527 176.094 -0.022 0.000 1.046 251 V CA 1.456 63.749 62.300 -0.012 0.000 1.053 251 V CB -0.663 31.162 31.823 0.002 0.000 0.679 251 V HN 0.607 nan 8.190 nan 0.000 0.458 252 G N -0.092 108.698 108.800 -0.017 0.000 2.408 252 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.217 252 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.217 252 G C 1.882 176.729 174.900 -0.089 0.000 1.150 252 G CA 1.257 46.325 45.100 -0.054 0.000 0.776 252 G HN 0.624 nan 8.290 nan 0.000 0.542 253 S N 1.346 116.995 115.700 -0.085 0.000 2.392 253 S HA -0.001 4.468 4.470 -0.001 0.000 0.232 253 S C 2.208 176.785 174.600 -0.038 0.000 1.041 253 S CA 1.502 59.663 58.200 -0.066 0.000 1.026 253 S CB -0.506 62.662 63.200 -0.053 0.000 0.845 253 S HN 0.721 nan 8.310 nan 0.000 0.465 254 A N 1.215 124.009 122.820 -0.043 0.000 2.223 254 A HA 0.505 4.824 4.320 -0.001 0.000 0.222 254 A C 1.009 178.544 177.584 -0.081 0.000 1.317 254 A CA 0.008 52.020 52.037 -0.041 0.000 0.985 254 A CB -1.165 17.815 19.000 -0.034 0.000 0.858 254 A HN 0.802 nan 8.150 nan 0.000 0.496 255 L N -0.650 120.507 121.223 -0.110 0.000 3.739 255 L HA -0.196 4.143 4.340 -0.001 0.000 0.442 255 L C 0.003 176.755 176.870 -0.196 0.000 1.241 255 L CA 0.181 54.904 54.840 -0.195 0.000 0.819 255 L CB -1.930 40.007 42.059 -0.203 0.000 1.679 255 L HN 0.401 nan 8.230 nan 0.000 0.889 256 S N 0.178 115.786 115.700 -0.153 0.000 2.438 256 S HA 0.311 4.780 4.470 -0.001 0.000 0.293 256 S C 0.123 174.678 174.600 -0.074 0.000 1.141 256 S CA -0.612 57.540 58.200 -0.080 0.000 1.080 256 S CB 1.214 64.390 63.200 -0.040 0.000 0.978 256 S HN 0.493 nan 8.310 nan 0.000 0.479 257 D N 4.277 124.689 120.400 0.021 0.000 2.474 257 D HA 0.008 4.647 4.640 -0.001 0.000 0.232 257 D C -1.597 174.734 176.300 0.052 0.000 1.177 257 D CA -0.787 53.245 54.000 0.054 0.000 0.876 257 D CB 0.193 41.136 40.800 0.238 0.000 1.208 257 D HN 0.147 nan 8.370 nan 0.000 0.464 258 P HA -0.280 nan 4.420 nan 0.000 0.217 258 P C 0.991 178.313 177.300 0.037 0.000 1.158 258 P CA 1.661 64.739 63.100 -0.036 0.000 0.887 258 P CB -0.233 31.377 31.700 -0.150 0.000 0.792 259 Y N -1.124 119.194 120.300 0.030 0.000 2.081 259 Y HA -0.204 4.345 4.550 -0.001 0.000 0.280 259 Y C 2.404 178.361 175.900 0.095 0.000 1.163 259 Y CA 0.806 58.950 58.100 0.073 0.000 1.135 259 Y CB -1.391 37.102 38.460 0.055 0.000 0.970 259 Y HN -0.139 nan 8.280 nan 0.000 0.498 260 L N -0.424 120.944 121.223 0.242 0.000 2.131 260 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 260 L C 2.207 179.137 176.870 0.100 0.000 1.092 260 L CA 1.972 56.894 54.840 0.135 0.000 0.759 260 L CB -0.760 41.351 42.059 0.087 0.000 0.903 260 L HN 0.217 nan 8.230 nan 0.000 0.435 261 S N -2.642 113.121 115.700 0.105 0.000 2.575 261 S HA 0.007 4.476 4.470 -0.001 0.000 0.215 261 S C 1.461 176.144 174.600 0.139 0.000 0.966 261 S CA -0.150 58.103 58.200 0.088 0.000 0.911 261 S CB -0.448 62.790 63.200 0.063 0.000 0.780 261 S HN 0.371 nan 8.310 nan 0.000 0.514 262 F N 2.022 121.971 119.950 -0.002 0.000 2.678 262 F HA 0.576 5.103 4.527 -0.001 0.000 0.291 262 F C 1.944 177.736 175.800 -0.013 0.000 1.123 262 F CA 0.162 58.150 58.000 -0.021 0.000 1.395 262 F CB -0.052 38.907 39.000 -0.069 0.000 1.121 262 F HN 0.220 nan 8.300 nan 0.000 0.592 263 A N -0.127 122.665 122.820 -0.047 0.000 2.238 263 A HA 0.436 4.756 4.320 -0.001 0.000 0.208 263 A C 1.940 179.455 177.584 -0.114 0.000 1.177 263 A CA 0.961 52.932 52.037 -0.110 0.000 0.804 263 A CB -0.895 18.122 19.000 0.027 0.000 0.823 263 A HN 0.405 nan 8.150 nan 0.000 0.482 264 A N -0.664 122.102 122.820 -0.090 0.000 1.963 264 A HA 0.515 4.834 4.320 -0.001 0.000 0.207 264 A C 2.247 179.771 177.584 -0.099 0.000 1.243 264 A CA 1.006 53.002 52.037 -0.068 0.000 0.728 264 A CB -0.789 18.196 19.000 -0.026 0.000 0.895 264 A HN 0.912 nan 8.150 nan 0.000 0.467 265 A N -0.543 122.205 122.820 -0.120 0.000 2.139 265 A HA -0.130 4.189 4.320 -0.001 0.000 0.221 265 A C 1.968 179.401 177.584 -0.252 0.000 1.159 265 A CA 1.912 53.867 52.037 -0.137 0.000 0.662 265 A CB -0.461 18.482 19.000 -0.095 0.000 0.796 265 A HN 0.441 nan 8.150 nan 0.000 0.463 266 M N -1.800 117.597 119.600 -0.338 0.000 2.491 266 M HA 0.082 4.561 4.480 -0.001 0.000 0.259 266 M C 1.273 177.440 176.300 -0.222 0.000 1.163 266 M CA 0.454 55.545 55.300 -0.349 0.000 1.109 266 M CB -1.053 31.270 32.600 -0.462 0.000 1.353 266 M HN 0.510 nan 8.290 nan 0.000 0.500 267 N N 0.757 119.358 118.700 -0.165 0.000 2.244 267 N HA -0.085 4.654 4.740 -0.001 0.000 0.183 267 N C 1.876 177.333 175.510 -0.087 0.000 1.016 267 N CA 1.041 54.022 53.050 -0.114 0.000 0.866 267 N CB -0.036 38.403 38.487 -0.079 0.000 0.980 267 N HN 0.391 nan 8.380 nan 0.000 0.430 268 G N 1.395 110.153 108.800 -0.069 0.000 2.404 268 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 268 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 268 G C 1.469 176.364 174.900 -0.008 0.000 1.174 268 G CA 0.248 45.352 45.100 0.007 0.000 0.780 268 G HN 0.177 nan 8.290 nan 0.000 0.537 269 L N 1.159 122.282 121.223 -0.168 0.000 2.141 269 L HA 0.270 4.609 4.340 -0.001 0.000 0.209 269 L C 2.885 179.607 176.870 -0.246 0.000 1.094 269 L CA 1.736 56.331 54.840 -0.409 0.000 0.763 269 L CB -0.293 41.505 42.059 -0.436 0.000 0.908 269 L HN 0.198 nan 8.230 nan 0.000 0.437 270 A N -0.053 122.658 122.820 -0.182 0.000 2.234 270 A HA 0.070 4.390 4.320 -0.001 0.000 0.216 270 A C 1.429 178.955 177.584 -0.098 0.000 1.167 270 A CA 0.823 52.758 52.037 -0.171 0.000 0.698 270 A CB -1.636 17.249 19.000 -0.192 0.000 0.779 270 A HN 0.492 nan 8.150 nan 0.000 0.475 271 G N -1.144 107.634 108.800 -0.037 0.000 2.503 271 G HA2 0.404 4.363 3.960 -0.001 0.000 0.257 271 G HA3 0.404 4.363 3.960 -0.001 0.000 0.257 271 G C -1.553 173.380 174.900 0.055 0.000 1.214 271 G CA -0.884 44.232 45.100 0.028 0.000 0.839 271 G HN 0.088 nan 8.290 nan 0.000 0.559 272 P HA -0.012 nan 4.420 nan 0.000 0.215 272 P C 1.616 178.963 177.300 0.080 0.000 1.157 272 P CA 0.367 63.503 63.100 0.061 0.000 0.856 272 P CB 0.208 31.936 31.700 0.046 0.000 0.786 273 L N -1.746 119.527 121.223 0.083 0.000 2.660 273 L HA 0.028 4.367 4.340 -0.001 0.000 0.238 273 L C 1.601 178.556 176.870 0.141 0.000 1.161 273 L CA 1.351 56.240 54.840 0.082 0.000 0.937 273 L CB -1.312 40.779 42.059 0.053 0.000 1.122 273 L HN 0.092 nan 8.230 nan 0.000 0.435 274 H N -2.229 116.872 119.070 0.051 0.000 2.998 274 H HA 0.292 4.847 4.556 -0.001 0.000 0.223 274 H C 1.758 177.175 175.328 0.147 0.000 0.906 274 H CA 0.730 56.830 56.048 0.086 0.000 1.014 274 H CB 0.463 30.270 29.762 0.075 0.000 1.389 274 H HN 0.040 nan 8.280 nan 0.000 0.467 275 G N 0.380 109.237 108.800 0.095 0.000 2.559 275 G HA2 0.026 3.985 3.960 -0.001 0.000 0.209 275 G HA3 0.026 3.985 3.960 -0.001 0.000 0.209 275 G C 0.473 175.442 174.900 0.114 0.000 1.151 275 G CA 0.003 45.140 45.100 0.062 0.000 0.824 275 G HN 0.177 nan 8.290 nan 0.000 0.543 276 L N 2.254 123.535 121.223 0.098 0.000 2.855 276 L HA 0.471 4.810 4.340 -0.001 0.000 0.245 276 L C 2.080 179.002 176.870 0.087 0.000 1.276 276 L CA -0.226 54.671 54.840 0.094 0.000 1.118 276 L CB -0.130 41.977 42.059 0.080 0.000 1.444 276 L HN 0.244 nan 8.230 nan 0.000 0.440 277 A N -0.438 122.423 122.820 0.068 0.000 1.911 277 A HA -0.104 4.215 4.320 -0.001 0.000 0.212 277 A C 2.130 179.760 177.584 0.075 0.000 1.189 277 A CA 0.928 52.996 52.037 0.051 0.000 0.639 277 A CB -0.324 18.684 19.000 0.014 0.000 0.839 277 A HN 0.483 nan 8.150 nan 0.000 0.449 278 N N 0.125 118.873 118.700 0.080 0.000 2.061 278 N HA -0.244 4.495 4.740 -0.001 0.000 0.193 278 N C 1.794 177.437 175.510 0.222 0.000 1.030 278 N CA 2.489 55.624 53.050 0.141 0.000 0.856 278 N CB -0.326 38.252 38.487 0.152 0.000 1.023 278 N HN 0.651 nan 8.380 nan 0.000 0.424 279 Q N -0.182 119.746 119.800 0.213 0.000 1.969 279 Q HA -0.076 4.264 4.340 -0.001 0.000 0.198 279 Q C 1.933 178.021 176.000 0.147 0.000 0.978 279 Q CA 1.377 57.283 55.803 0.173 0.000 0.830 279 Q CB -0.201 28.587 28.738 0.084 0.000 0.896 279 Q HN 0.440 nan 8.270 nan 0.000 0.431 280 E N 0.041 120.314 120.200 0.121 0.000 2.103 280 E HA -0.310 4.039 4.350 -0.001 0.000 0.229 280 E C 1.992 178.705 176.600 0.188 0.000 1.061 280 E CA 2.201 58.677 56.400 0.126 0.000 0.916 280 E CB -0.556 29.195 29.700 0.086 0.000 0.806 280 E HN 0.091 nan 8.360 nan 0.000 0.489 281 V N 0.762 120.782 119.914 0.176 0.000 2.233 281 V HA -0.331 3.788 4.120 -0.001 0.000 0.256 281 V C 2.327 178.659 176.094 0.396 0.000 1.069 281 V CA 2.196 64.654 62.300 0.264 0.000 1.054 281 V CB -0.673 31.270 31.823 0.199 0.000 0.664 281 V HN 0.301 nan 8.190 nan 0.000 0.453 282 L N 0.876 122.272 121.223 0.289 0.000 2.197 282 L HA -0.143 4.197 4.340 -0.001 0.000 0.215 282 L C 2.154 179.152 176.870 0.213 0.000 1.095 282 L CA 2.330 57.324 54.840 0.255 0.000 0.764 282 L CB -1.178 41.029 42.059 0.247 0.000 0.897 282 L HN 0.371 nan 8.230 nan 0.000 0.436 283 G N -2.376 106.555 108.800 0.218 0.000 2.539 283 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.215 283 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.215 283 G C 1.354 176.359 174.900 0.175 0.000 1.141 283 G CA 0.368 45.564 45.100 0.160 0.000 0.806 283 G HN 0.641 nan 8.290 nan 0.000 0.533 284 W N 0.606 121.948 121.300 0.070 0.000 2.494 284 W HA 0.199 4.858 4.660 -0.001 0.000 0.286 284 W C 1.822 178.382 176.519 0.068 0.000 1.218 284 W CA 0.200 57.591 57.345 0.077 0.000 1.313 284 W CB -0.113 29.401 29.460 0.090 0.000 1.105 284 W HN 0.053 nan 8.180 nan 0.000 0.561 285 L N 2.174 123.427 121.223 0.049 0.000 1.970 285 L HA -0.113 4.227 4.340 -0.001 0.000 0.212 285 L C 2.856 179.610 176.870 -0.194 0.000 1.071 285 L CA 2.846 57.593 54.840 -0.154 0.000 0.751 285 L CB -1.728 40.427 42.059 0.160 0.000 0.889 285 L HN 0.193 nan 8.230 nan 0.000 0.432 286 A N -1.009 121.785 122.820 -0.044 0.000 1.954 286 A HA -0.362 3.957 4.320 -0.001 0.000 0.222 286 A C 2.271 179.787 177.584 -0.113 0.000 1.199 286 A CA 2.461 54.469 52.037 -0.048 0.000 0.657 286 A CB -0.855 18.148 19.000 0.004 0.000 0.823 286 A HN 0.671 nan 8.150 nan 0.000 0.463 287 Q N -0.885 118.822 119.800 -0.155 0.000 2.083 287 Q HA -0.153 4.186 4.340 -0.001 0.000 0.198 287 Q C 2.022 177.837 176.000 -0.309 0.000 0.969 287 Q CA 1.641 57.334 55.803 -0.184 0.000 0.838 287 Q CB -0.387 28.271 28.738 -0.134 0.000 0.900 287 Q HN 0.463 nan 8.270 nan 0.000 0.436 288 L N 2.178 123.106 121.223 -0.492 0.000 1.978 288 L HA -0.290 4.049 4.340 -0.001 0.000 0.218 288 L C 2.694 179.331 176.870 -0.389 0.000 1.075 288 L CA 2.441 56.914 54.840 -0.612 0.000 0.767 288 L CB -1.362 40.279 42.059 -0.697 0.000 0.890 288 L HN 0.403 nan 8.230 nan 0.000 0.434 289 Q N 0.857 120.498 119.800 -0.265 0.000 2.167 289 Q HA -0.301 4.038 4.340 -0.001 0.000 0.218 289 Q C 1.709 177.626 176.000 -0.139 0.000 1.033 289 Q CA 3.083 58.791 55.803 -0.158 0.000 0.918 289 Q CB -0.297 28.370 28.738 -0.119 0.000 1.019 289 Q HN 0.790 nan 8.270 nan 0.000 0.417 290 K N -1.766 118.551 120.400 -0.138 0.000 2.402 290 K HA 0.604 4.923 4.320 -0.001 0.000 0.204 290 K C 0.631 177.160 176.600 -0.118 0.000 1.056 290 K CA 0.306 56.530 56.287 -0.106 0.000 1.069 290 K CB 0.580 33.035 32.500 -0.075 0.000 0.888 290 K HN 0.177 nan 8.250 nan 0.000 0.546 296 G N -0.081 108.705 108.800 -0.024 0.000 2.606 296 G HA2 0.896 4.855 3.960 -0.001 0.000 0.300 296 G HA3 0.896 4.855 3.960 -0.001 0.000 0.300 296 G C -0.328 174.564 174.900 -0.013 0.000 1.360 296 G CA 0.341 45.428 45.100 -0.022 0.000 0.783 296 G HN 1.979 nan 8.290 nan 0.000 0.484 297 A N -0.663 122.153 122.820 -0.007 0.000 2.264 297 A HA 0.598 4.917 4.320 -0.001 0.000 0.304 297 A C 0.948 178.539 177.584 0.012 0.000 1.100 297 A CA 0.082 52.120 52.037 0.002 0.000 0.839 297 A CB 0.416 19.416 19.000 -0.001 0.000 1.121 297 A HN 0.482 nan 8.150 nan 0.000 0.496 298 D N 0.654 121.062 120.400 0.013 0.000 2.178 298 D HA -0.103 4.536 4.640 -0.001 0.000 0.201 298 D C 1.994 178.306 176.300 0.018 0.000 0.980 298 D CA 1.920 55.932 54.000 0.020 0.000 0.842 298 D CB -0.318 40.489 40.800 0.013 0.000 0.948 298 D HN 0.578 nan 8.370 nan 0.000 0.472 299 A N 0.657 123.480 122.820 0.006 0.000 1.897 299 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 299 A C 2.342 179.932 177.584 0.010 0.000 1.181 299 A CA 1.756 53.789 52.037 -0.006 0.000 0.620 299 A CB -0.305 18.684 19.000 -0.017 0.000 0.821 299 A HN 0.278 nan 8.150 nan 0.000 0.443 300 S N 0.392 116.106 115.700 0.023 0.000 2.406 300 S HA -0.028 4.441 4.470 -0.001 0.000 0.224 300 S C 1.725 176.382 174.600 0.096 0.000 1.030 300 S CA 1.093 59.321 58.200 0.046 0.000 0.958 300 S CB -0.632 62.581 63.200 0.022 0.000 0.811 300 S HN 0.684 nan 8.310 nan 0.000 0.489 301 L N 1.053 122.324 121.223 0.080 0.000 2.240 301 L HA 0.346 4.685 4.340 -0.001 0.000 0.211 301 L C 2.171 179.155 176.870 0.191 0.000 1.106 301 L CA 1.218 56.140 54.840 0.137 0.000 0.793 301 L CB -0.865 41.245 42.059 0.085 0.000 0.927 301 L HN 0.090 nan 8.230 nan 0.000 0.446 302 R N -0.218 120.360 120.500 0.130 0.000 2.120 302 R HA -0.178 4.161 4.340 -0.001 0.000 0.234 302 R C 1.761 178.180 176.300 0.198 0.000 1.123 302 R CA 1.512 57.700 56.100 0.146 0.000 0.975 302 R CB -0.243 30.102 30.300 0.075 0.000 0.866 302 R HN 0.462 nan 8.270 nan 0.000 0.446 303 D N -0.828 119.656 120.400 0.140 0.000 2.123 303 D HA -0.158 4.482 4.640 -0.001 0.000 0.200 303 D C 1.484 177.910 176.300 0.209 0.000 0.976 303 D CA 0.848 54.931 54.000 0.139 0.000 0.831 303 D CB -0.114 40.729 40.800 0.073 0.000 0.974 303 D HN 0.240 nan 8.370 nan 0.000 0.469 304 Y N 0.810 121.176 120.300 0.110 0.000 2.220 304 Y HA -0.004 4.545 4.550 -0.001 0.000 0.291 304 Y C 2.109 178.083 175.900 0.124 0.000 1.129 304 Y CA 1.249 59.403 58.100 0.090 0.000 1.161 304 Y CB -0.240 38.243 38.460 0.039 0.000 0.997 304 Y HN -0.066 nan 8.280 nan 0.000 0.522 305 I N -1.447 119.186 120.570 0.106 0.000 2.394 305 I HA -0.303 3.867 4.170 -0.001 0.000 0.251 305 I C 1.871 177.981 176.117 -0.010 0.000 1.136 305 I CA 1.163 62.514 61.300 0.085 0.000 1.425 305 I CB -0.400 37.699 38.000 0.165 0.000 1.079 305 I HN 0.382 nan 8.210 nan 0.000 0.425 306 W N 1.473 122.733 121.300 -0.067 0.000 2.379 306 W HA -0.171 4.489 4.660 -0.001 0.000 0.307 306 W C 2.534 178.996 176.519 -0.096 0.000 1.200 306 W CA 1.362 58.665 57.345 -0.069 0.000 1.297 306 W CB -0.475 28.959 29.460 -0.044 0.000 1.140 306 W HN 0.082 nan 8.180 nan 0.000 0.507 307 N N -1.034 117.725 118.700 0.098 0.000 2.270 307 N HA -0.130 4.609 4.740 -0.001 0.000 0.181 307 N C 1.508 176.922 175.510 -0.159 0.000 1.016 307 N CA 1.760 54.795 53.050 -0.025 0.000 0.870 307 N CB -0.140 38.319 38.487 -0.046 0.000 0.979 307 N HN 0.087 nan 8.380 nan 0.000 0.431 308 T N 2.214 116.629 114.554 -0.232 0.000 2.588 308 T HA -0.073 4.276 4.350 -0.001 0.000 0.261 308 T C 2.138 176.742 174.700 -0.160 0.000 1.069 308 T CA 1.040 63.018 62.100 -0.204 0.000 1.172 308 T CB -0.388 68.378 68.868 -0.170 0.000 0.863 308 T HN 0.133 nan 8.240 nan 0.000 0.408 309 L N 1.009 122.112 121.223 -0.199 0.000 2.010 309 L HA -0.260 4.079 4.340 -0.001 0.000 0.219 309 L C 2.468 179.194 176.870 -0.241 0.000 1.077 309 L CA 1.839 56.533 54.840 -0.244 0.000 0.773 309 L CB -0.885 40.971 42.059 -0.339 0.000 0.892 309 L HN 0.364 nan 8.230 nan 0.000 0.436 310 N N -0.482 118.048 118.700 -0.283 0.000 2.120 310 N HA -0.132 4.607 4.740 -0.001 0.000 0.188 310 N C 1.177 176.616 175.510 -0.118 0.000 1.024 310 N CA 1.197 54.122 53.050 -0.209 0.000 0.852 310 N CB 0.038 38.398 38.487 -0.213 0.000 1.003 310 N HN 0.235 nan 8.380 nan 0.000 0.424 311 S N 0.103 115.741 115.700 -0.103 0.000 3.009 311 S HA 0.154 4.623 4.470 -0.001 0.000 0.243 311 S C 1.125 175.688 174.600 -0.062 0.000 1.012 311 S CA 0.413 58.572 58.200 -0.069 0.000 1.113 311 S CB -0.210 62.957 63.200 -0.056 0.000 0.827 311 S HN 0.585 nan 8.310 nan 0.000 0.495 312 G N 1.241 109.994 108.800 -0.077 0.000 2.175 312 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.265 312 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.265 312 G C 0.302 175.166 174.900 -0.061 0.000 0.979 312 G CA 0.324 45.383 45.100 -0.067 0.000 0.663 312 G HN 0.455 nan 8.290 nan 0.000 0.533 313 R N -1.368 119.093 120.500 -0.065 0.000 2.541 313 R HA 0.835 5.174 4.340 -0.001 0.000 0.254 313 R C 0.142 176.398 176.300 -0.074 0.000 1.130 313 R CA -0.390 55.683 56.100 -0.045 0.000 1.152 313 R CB 1.274 31.572 30.300 -0.004 0.000 1.222 313 R HN 0.305 nan 8.270 nan 0.000 0.579 314 V N 0.167 120.040 119.914 -0.069 0.000 2.962 314 V HA 0.423 4.542 4.120 -0.001 0.000 0.313 314 V C -1.138 174.843 176.094 -0.187 0.000 1.099 314 V CA -0.905 61.324 62.300 -0.118 0.000 0.971 314 V CB 2.545 34.300 31.823 -0.112 0.000 1.028 314 V HN 0.386 nan 8.190 nan 0.000 0.430 315 V N 6.722 126.475 119.914 -0.268 0.000 2.368 315 V HA 0.317 4.436 4.120 -0.001 0.000 0.266 315 V C -2.112 173.660 176.094 -0.536 0.000 1.045 315 V CA -1.649 60.330 62.300 -0.535 0.000 0.899 315 V CB 1.180 32.750 31.823 -0.421 0.000 1.006 315 V HN 0.829 nan 8.190 nan 0.000 0.470 316 P HA 0.198 nan 4.420 nan 0.000 0.258 316 P C 0.890 178.048 177.300 -0.236 0.000 1.214 316 P CA 1.051 63.903 63.100 -0.413 0.000 0.872 316 P CB 0.340 31.797 31.700 -0.405 0.000 0.890 317 G N 1.896 110.653 108.800 -0.072 0.000 2.813 317 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.194 317 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.194 317 G C -0.543 174.339 174.900 -0.031 0.000 1.010 317 G CA -0.521 44.575 45.100 -0.007 0.000 0.771 317 G HN 0.440 nan 8.290 nan 0.000 0.485 318 Y N 0.201 120.417 120.300 -0.140 0.000 2.468 318 Y HA 0.532 5.081 4.550 -0.001 0.000 0.342 318 Y C 0.720 176.560 175.900 -0.100 0.000 1.021 318 Y CA -0.128 57.906 58.100 -0.111 0.000 1.079 318 Y CB 2.546 40.919 38.460 -0.144 0.000 1.226 318 Y HN 1.044 nan 8.280 nan 0.000 0.460 319 G N 2.530 111.374 108.800 0.074 0.000 3.017 319 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.680 319 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.680 319 G C -1.736 173.192 174.900 0.046 0.000 1.179 319 G CA -0.893 44.231 45.100 0.040 0.000 1.142 319 G HN 0.783 nan 8.290 nan 0.000 0.489 320 H N 2.273 121.352 119.070 0.014 0.000 2.495 320 H HA 0.709 5.265 4.556 -0.001 0.000 0.348 320 H C 1.270 176.613 175.328 0.025 0.000 1.113 320 H CA 0.295 56.355 56.048 0.020 0.000 1.195 320 H CB 1.852 31.635 29.762 0.035 0.000 1.521 320 H HN 0.755 nan 8.280 nan 0.000 0.509 321 A N 4.025 126.763 122.820 -0.137 0.000 1.927 321 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 321 A C 1.618 179.305 177.584 0.172 0.000 1.185 321 A CA 2.578 54.618 52.037 0.005 0.000 0.639 321 A CB -0.303 18.637 19.000 -0.100 0.000 0.820 321 A HN 0.450 nan 8.150 nan 0.000 0.451 322 V N -1.533 118.630 119.914 0.415 0.000 3.058 322 V HA 0.207 4.326 4.120 -0.001 0.000 0.233 322 V C 1.131 177.297 176.094 0.120 0.000 1.255 322 V CA -0.263 62.160 62.300 0.205 0.000 1.267 322 V CB -0.420 31.502 31.823 0.165 0.000 1.049 322 V HN 0.489 nan 8.190 nan 0.000 0.486 323 L N 2.321 123.552 121.223 0.014 0.000 2.640 323 L HA -0.095 4.245 4.340 -0.001 0.000 0.300 323 L C 1.287 178.181 176.870 0.040 0.000 1.259 323 L CA 0.976 55.722 54.840 -0.156 0.000 0.879 323 L CB 0.213 42.011 42.059 -0.435 0.000 1.125 323 L HN 0.315 nan 8.230 nan 0.000 0.507 324 R N 3.110 123.610 120.500 -0.000 0.000 2.569 324 R HA 0.165 4.505 4.340 -0.001 0.000 0.422 324 R C -1.020 175.257 176.300 -0.039 0.000 0.980 324 R CA -0.144 55.984 56.100 0.046 0.000 1.164 324 R CB 0.195 30.520 30.300 0.042 0.000 1.520 324 R HN 0.792 nan 8.270 nan 0.000 0.567 325 K N -2.146 118.174 120.400 -0.134 0.000 2.886 325 K HA 0.215 4.534 4.320 -0.001 0.000 0.291 325 K C -1.368 175.080 176.600 -0.254 0.000 1.057 325 K CA -0.587 55.420 56.287 -0.467 0.000 0.797 325 K CB -0.399 31.838 32.500 -0.438 0.000 1.490 325 K HN -0.149 nan 8.250 nan 0.000 0.365 326 T N 1.573 115.953 114.554 -0.290 0.000 2.871 326 T HA 0.052 4.402 4.350 -0.001 0.000 0.296 326 T C -0.301 174.388 174.700 -0.018 0.000 0.998 326 T CA 0.436 62.517 62.100 -0.033 0.000 1.162 326 T CB -0.064 68.878 68.868 0.124 0.000 0.947 326 T HN 0.570 nan 8.240 nan 0.000 0.536 327 D N 4.232 124.631 120.400 -0.001 0.000 2.450 327 D HA 0.043 4.682 4.640 -0.001 0.000 0.247 327 D C -1.509 174.823 176.300 0.053 0.000 1.162 327 D CA -2.113 51.885 54.000 -0.004 0.000 0.879 327 D CB 1.069 41.871 40.800 0.004 0.000 1.163 327 D HN 0.134 nan 8.370 nan 0.000 0.472 328 P HA 0.056 nan 4.420 nan 0.000 0.235 328 P C 0.929 178.248 177.300 0.031 0.000 1.177 328 P CA 0.527 63.643 63.100 0.025 0.000 0.785 328 P CB 0.255 31.945 31.700 -0.016 0.000 0.885 329 R N -1.645 118.866 120.500 0.019 0.000 2.189 329 R HA -0.113 4.226 4.340 -0.001 0.000 0.223 329 R C 2.210 178.531 176.300 0.035 0.000 1.092 329 R CA 0.975 57.071 56.100 -0.007 0.000 0.989 329 R CB -0.814 29.448 30.300 -0.063 0.000 0.876 329 R HN 0.283 nan 8.270 nan 0.000 0.457 330 Y N 1.444 121.717 120.300 -0.044 0.000 2.177 330 Y HA -0.128 4.421 4.550 -0.001 0.000 0.291 330 Y C 2.236 178.085 175.900 -0.085 0.000 1.117 330 Y CA 1.700 59.790 58.100 -0.017 0.000 1.114 330 Y CB -0.255 38.189 38.460 -0.027 0.000 1.017 330 Y HN -0.119 nan 8.280 nan 0.000 0.505 331 T N -0.292 114.353 114.554 0.152 0.000 2.685 331 T HA -0.317 4.032 4.350 -0.001 0.000 0.268 331 T C 1.983 176.609 174.700 -0.123 0.000 1.034 331 T CA 1.614 63.711 62.100 -0.005 0.000 1.149 331 T CB -1.298 67.626 68.868 0.093 0.000 0.860 331 T HN 0.534 nan 8.240 nan 0.000 0.449 332 C N 1.304 120.557 119.300 -0.078 0.000 2.403 332 C HA -0.104 4.356 4.460 -0.001 0.000 0.279 332 C C 2.888 177.798 174.990 -0.133 0.000 1.269 332 C CA 0.832 59.807 59.018 -0.071 0.000 1.774 332 C CB -1.126 26.603 27.740 -0.018 0.000 1.993 332 C HN 0.614 nan 8.230 nan 0.000 0.496 333 Q N -0.727 118.896 119.800 -0.294 0.000 2.376 333 Q HA -0.040 4.299 4.340 -0.001 0.000 0.206 333 Q C 2.270 177.853 176.000 -0.696 0.000 0.921 333 Q CA 0.498 56.045 55.803 -0.427 0.000 0.911 333 Q CB -0.020 28.459 28.738 -0.430 0.000 1.032 333 Q HN 0.671 nan 8.270 nan 0.000 0.510 334 R N 1.134 121.142 120.500 -0.819 0.000 2.100 334 R HA -0.023 4.316 4.340 -0.001 0.000 0.220 334 R C 1.730 177.971 176.300 -0.098 0.000 1.091 334 R CA 0.986 56.807 56.100 -0.466 0.000 0.986 334 R CB 0.047 30.134 30.300 -0.353 0.000 0.888 334 R HN 0.056 nan 8.270 nan 0.000 0.444 335 E N -0.517 119.634 120.200 -0.081 0.000 2.267 335 E HA -0.208 4.141 4.350 -0.001 0.000 0.197 335 E C 1.157 177.778 176.600 0.036 0.000 0.998 335 E CA 1.141 57.544 56.400 0.005 0.000 0.830 335 E CB -0.027 29.682 29.700 0.015 0.000 0.751 335 E HN 0.364 nan 8.360 nan 0.000 0.491 336 F N 0.405 120.270 119.950 -0.142 0.000 2.148 336 F HA 0.052 4.578 4.527 -0.001 0.000 0.285 336 F C 2.227 177.935 175.800 -0.152 0.000 1.092 336 F CA 1.121 59.077 58.000 -0.075 0.000 1.218 336 F CB -0.575 38.383 39.000 -0.070 0.000 1.059 336 F HN -0.049 nan 8.300 nan 0.000 0.490 337 A N 1.507 124.184 122.820 -0.238 0.000 1.870 337 A HA -0.289 4.030 4.320 -0.001 0.000 0.219 337 A C 2.204 179.455 177.584 -0.555 0.000 1.224 337 A CA 2.722 54.294 52.037 -0.776 0.000 0.650 337 A CB -1.608 16.109 19.000 -2.138 0.000 0.836 337 A HN 0.546 nan 8.150 nan 0.000 0.454 338 L N -0.952 120.086 121.223 -0.308 0.000 2.030 338 L HA -0.363 3.976 4.340 -0.001 0.000 0.222 338 L C 2.617 179.372 176.870 -0.192 0.000 1.082 338 L CA 2.429 57.242 54.840 -0.044 0.000 0.785 338 L CB -0.869 41.238 42.059 0.080 0.000 0.895 338 L HN 0.390 nan 8.230 nan 0.000 0.439 339 K N -0.722 119.499 120.400 -0.298 0.000 1.978 339 K HA -0.180 4.139 4.320 -0.001 0.000 0.214 339 K C 1.996 178.130 176.600 -0.776 0.000 1.049 339 K CA 1.966 57.906 56.287 -0.578 0.000 0.939 339 K CB -0.337 31.768 32.500 -0.659 0.000 0.721 339 K HN 0.584 nan 8.250 nan 0.000 0.441 340 H N 0.670 119.450 119.070 -0.485 0.000 2.879 340 H HA -0.060 4.495 4.556 -0.001 0.000 0.308 340 H C 1.279 176.438 175.328 -0.281 0.000 1.017 340 H CA 0.773 56.568 56.048 -0.420 0.000 1.176 340 H CB -0.704 28.805 29.762 -0.423 0.000 1.562 340 H HN 0.081 nan 8.280 nan 0.000 0.765 341 L N 0.315 121.351 121.223 -0.312 0.000 2.422 341 L HA 0.325 4.664 4.340 -0.001 0.000 0.256 341 L C -2.435 174.281 176.870 -0.258 0.000 1.202 341 L CA -1.613 52.936 54.840 -0.484 0.000 1.119 341 L CB 0.728 41.987 42.059 -1.333 0.000 1.383 341 L HN 0.039 nan 8.230 nan 0.000 0.411 342 P HA 0.104 nan 4.420 nan 0.000 0.224 342 P C 1.221 178.651 177.300 0.217 0.000 1.159 342 P CA 0.744 63.924 63.100 0.133 0.000 0.824 342 P CB 0.438 32.169 31.700 0.053 0.000 0.833 343 G N -0.309 108.563 108.800 0.121 0.000 3.605 343 G HA2 -0.014 3.946 3.960 -0.001 0.000 0.277 343 G HA3 -0.014 3.946 3.960 -0.001 0.000 0.277 343 G C -0.168 174.794 174.900 0.102 0.000 1.093 343 G CA -0.068 45.092 45.100 0.099 0.000 0.821 343 G HN 0.144 nan 8.290 nan 0.000 0.532 344 D N 1.766 122.251 120.400 0.143 0.000 2.346 344 D HA 0.066 4.705 4.640 -0.001 0.000 0.267 344 D C -0.892 175.492 176.300 0.140 0.000 1.320 344 D CA -1.520 52.565 54.000 0.140 0.000 0.951 344 D CB 1.529 42.386 40.800 0.095 0.000 1.079 344 D HN 0.004 nan 8.370 nan 0.000 0.509 345 P HA -0.292 nan 4.420 nan 0.000 0.227 345 P C 1.334 178.667 177.300 0.056 0.000 1.141 345 P CA 1.505 64.638 63.100 0.055 0.000 0.964 345 P CB 0.005 31.733 31.700 0.048 0.000 0.784 346 M N -2.636 117.018 119.600 0.090 0.000 2.319 346 M HA 0.012 4.491 4.480 -0.001 0.000 0.265 346 M C 2.008 178.384 176.300 0.127 0.000 1.068 346 M CA 1.387 56.743 55.300 0.093 0.000 1.118 346 M CB -0.880 31.788 32.600 0.114 0.000 1.395 346 M HN -0.114 nan 8.290 nan 0.000 0.435 347 F N 0.247 120.212 119.950 0.025 0.000 2.037 347 F HA -0.131 4.395 4.527 -0.001 0.000 0.291 347 F C 1.984 177.806 175.800 0.038 0.000 1.137 347 F CA 1.437 59.449 58.000 0.019 0.000 1.178 347 F CB -0.368 38.640 39.000 0.012 0.000 0.995 347 F HN -0.097 nan 8.300 nan 0.000 0.472 348 K N 0.562 120.829 120.400 -0.222 0.000 2.017 348 K HA -0.364 3.955 4.320 -0.001 0.000 0.229 348 K C 1.865 178.335 176.600 -0.217 0.000 1.004 348 K CA 2.537 58.670 56.287 -0.258 0.000 0.991 348 K CB -1.474 30.988 32.500 -0.064 0.000 0.773 348 K HN 0.374 nan 8.250 nan 0.000 0.453 349 L N 1.294 122.467 121.223 -0.084 0.000 1.987 349 L HA -0.292 4.047 4.340 -0.001 0.000 0.230 349 L C 2.493 179.364 176.870 0.001 0.000 1.089 349 L CA 1.783 56.606 54.840 -0.027 0.000 0.802 349 L CB -0.767 41.289 42.059 -0.005 0.000 0.905 349 L HN 0.154 nan 8.230 nan 0.000 0.441 350 V N -0.149 119.766 119.914 0.002 0.000 2.252 350 V HA -0.444 3.676 4.120 -0.001 0.000 0.255 350 V C 2.639 178.783 176.094 0.084 0.000 1.071 350 V CA 2.239 64.571 62.300 0.052 0.000 1.050 350 V CB -1.355 30.459 31.823 -0.015 0.000 0.654 350 V HN 0.703 nan 8.190 nan 0.000 0.448 351 A N -1.821 120.919 122.820 -0.133 0.000 2.178 351 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 351 A C 2.160 179.810 177.584 0.109 0.000 1.157 351 A CA 1.930 53.925 52.037 -0.071 0.000 0.689 351 A CB -0.413 18.274 19.000 -0.522 0.000 0.787 351 A HN 0.682 nan 8.150 nan 0.000 0.465 352 Q N -0.940 118.909 119.800 0.082 0.000 2.061 352 Q HA -0.030 4.309 4.340 -0.001 0.000 0.195 352 Q C 1.738 177.846 176.000 0.180 0.000 0.967 352 Q CA 0.593 56.458 55.803 0.104 0.000 0.829 352 Q CB -0.136 28.634 28.738 0.053 0.000 0.900 352 Q HN 0.454 nan 8.270 nan 0.000 0.450 353 L N 0.434 121.791 121.223 0.223 0.000 2.085 353 L HA -0.305 4.034 4.340 -0.001 0.000 0.218 353 L C 2.151 179.221 176.870 0.332 0.000 1.080 353 L CA 1.990 56.988 54.840 0.264 0.000 0.776 353 L CB -1.605 40.692 42.059 0.396 0.000 0.891 353 L HN 0.437 nan 8.230 nan 0.000 0.437 354 Y N 0.345 120.837 120.300 0.320 0.000 2.165 354 Y HA -0.342 4.207 4.550 -0.001 0.000 0.286 354 Y C 2.857 178.906 175.900 0.249 0.000 1.155 354 Y CA 2.132 60.455 58.100 0.372 0.000 1.164 354 Y CB 0.082 38.804 38.460 0.436 0.000 0.978 354 Y HN 0.146 nan 8.280 nan 0.000 0.513 355 K N -0.243 120.255 120.400 0.164 0.000 2.025 355 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 355 K C 1.636 178.247 176.600 0.018 0.000 1.049 355 K CA 1.677 57.995 56.287 0.052 0.000 0.933 355 K CB -0.131 32.416 32.500 0.079 0.000 0.714 355 K HN 0.281 nan 8.250 nan 0.000 0.438 356 I N -0.390 120.204 120.570 0.040 0.000 2.641 356 I HA -0.208 3.961 4.170 -0.001 0.000 0.232 356 I C 2.024 178.127 176.117 -0.024 0.000 1.060 356 I CA 0.477 61.793 61.300 0.027 0.000 1.417 356 I CB -0.340 37.697 38.000 0.061 0.000 1.227 356 I HN -0.127 nan 8.210 nan 0.000 0.434 357 V N 1.795 121.658 119.914 -0.085 0.000 2.243 357 V HA -0.329 3.790 4.120 -0.001 0.000 0.258 357 V C -0.393 175.531 176.094 -0.283 0.000 1.073 357 V CA 2.789 64.926 62.300 -0.273 0.000 1.069 357 V CB -2.561 28.843 31.823 -0.698 0.000 0.681 357 V HN 0.348 nan 8.190 nan 0.000 0.457 358 P HA -0.167 nan 4.420 nan 0.000 0.216 358 P C 1.120 178.234 177.300 -0.310 0.000 1.157 358 P CA 2.147 65.023 63.100 -0.374 0.000 0.880 358 P CB -0.277 31.102 31.700 -0.534 0.000 0.791 359 N N -0.540 118.056 118.700 -0.174 0.000 2.039 359 N HA -0.127 4.613 4.740 -0.001 0.000 0.193 359 N C 1.757 177.237 175.510 -0.049 0.000 1.044 359 N CA 1.617 54.616 53.050 -0.086 0.000 0.847 359 N CB -1.604 36.868 38.487 -0.024 0.000 1.030 359 N HN -0.045 nan 8.380 nan 0.000 0.422 360 V N 1.331 121.238 119.914 -0.012 0.000 2.250 360 V HA -0.300 3.819 4.120 -0.001 0.000 0.253 360 V C 2.268 178.299 176.094 -0.105 0.000 1.065 360 V CA 1.687 64.007 62.300 0.033 0.000 1.039 360 V CB -1.099 30.728 31.823 0.006 0.000 0.647 360 V HN 0.305 nan 8.190 nan 0.000 0.446 361 L N -1.218 119.900 121.223 -0.174 0.000 1.971 361 L HA -0.221 4.118 4.340 -0.001 0.000 0.215 361 L C 2.588 179.359 176.870 -0.166 0.000 1.072 361 L CA 1.764 56.484 54.840 -0.201 0.000 0.758 361 L CB -0.500 41.418 42.059 -0.234 0.000 0.889 361 L HN 0.319 nan 8.230 nan 0.000 0.433 362 L N 0.083 121.208 121.223 -0.162 0.000 1.989 362 L HA -0.271 4.068 4.340 -0.001 0.000 0.211 362 L C 2.644 179.472 176.870 -0.069 0.000 1.071 362 L CA 2.034 56.805 54.840 -0.115 0.000 0.749 362 L CB -0.870 41.123 42.059 -0.109 0.000 0.890 362 L HN 0.368 nan 8.230 nan 0.000 0.431 363 E N -0.762 119.411 120.200 -0.046 0.000 2.204 363 E HA -0.241 4.108 4.350 -0.001 0.000 0.195 363 E C 1.343 177.924 176.600 -0.032 0.000 0.990 363 E CA 1.010 57.410 56.400 0.001 0.000 0.821 363 E CB -0.007 29.742 29.700 0.082 0.000 0.750 363 E HN 0.576 nan 8.360 nan 0.000 0.477 364 Q N 0.037 119.767 119.800 -0.117 0.000 2.268 364 Q HA 0.185 4.524 4.340 -0.001 0.000 0.289 364 Q C -0.214 175.684 176.000 -0.169 0.000 0.893 364 Q CA 0.110 55.789 55.803 -0.206 0.000 1.057 364 Q CB 0.743 29.224 28.738 -0.429 0.000 1.173 364 Q HN 0.436 nan 8.270 nan 0.000 0.449 365 G N 1.193 109.928 108.800 -0.109 0.000 2.332 365 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.277 365 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.277 365 G C 0.160 175.005 174.900 -0.093 0.000 0.884 365 G CA 0.634 45.683 45.100 -0.084 0.000 1.251 365 G HN 0.460 nan 8.290 nan 0.000 0.462 366 A N -0.578 122.179 122.820 -0.105 0.000 3.292 366 A HA 0.881 5.200 4.320 -0.001 0.000 0.231 366 A C 0.621 178.145 177.584 -0.101 0.000 0.952 366 A CA 0.885 52.860 52.037 -0.103 0.000 1.044 366 A CB 0.100 19.022 19.000 -0.130 0.000 1.236 366 A HN 2.023 nan 8.150 nan 0.000 0.525 367 A N -0.687 122.085 122.820 -0.080 0.000 3.042 367 A HA 0.964 5.284 4.320 -0.001 0.000 0.229 367 A C 1.099 178.663 177.584 -0.033 0.000 1.185 367 A CA -0.150 51.841 52.037 -0.077 0.000 0.844 367 A CB 0.030 18.990 19.000 -0.067 0.000 1.403 367 A HN 2.098 nan 8.150 nan 0.000 0.555 368 A N -0.879 121.937 122.820 -0.007 0.000 3.384 368 A HA -0.103 4.216 4.320 -0.001 0.000 0.260 368 A C 0.102 177.758 177.584 0.121 0.000 1.168 368 A CA 1.261 53.330 52.037 0.054 0.000 1.253 368 A CB -2.148 16.878 19.000 0.043 0.000 1.122 368 A HN 2.242 nan 8.150 nan 0.000 0.934 369 N N -1.849 116.910 118.700 0.098 0.000 4.308 369 N HA 0.159 4.898 4.740 -0.001 0.000 0.168 369 N C -3.311 172.189 175.510 -0.017 0.000 1.348 369 N CA 0.149 53.322 53.050 0.206 0.000 0.882 369 N CB 0.773 39.403 38.487 0.238 0.000 1.713 369 N HN 0.001 nan 8.380 nan 0.000 0.818 370 P HA 0.280 nan 4.420 nan 0.000 0.282 370 P C -0.538 176.478 177.300 -0.472 0.000 1.327 370 P CA 0.194 62.977 63.100 -0.529 0.000 0.949 370 P CB -0.091 31.117 31.700 -0.820 0.000 1.445 371 W N 3.002 124.347 121.300 0.075 0.000 2.261 371 W HA 0.406 5.065 4.660 -0.001 0.000 0.323 371 W C -2.057 174.327 176.519 -0.226 0.000 1.243 371 W CA -2.599 54.737 57.345 -0.015 0.000 1.210 371 W CB -0.761 28.691 29.460 -0.012 0.000 1.149 371 W HN -0.127 nan 8.180 nan 0.000 0.562 372 P HA 0.057 nan 4.420 nan 0.000 0.272 372 P C -0.268 176.743 177.300 -0.481 0.000 1.240 372 P CA 0.032 62.568 63.100 -0.939 0.000 0.791 372 P CB 0.954 31.585 31.700 -1.781 0.000 0.978 373 N N -0.658 117.870 118.700 -0.286 0.000 2.786 373 N HA 0.195 4.935 4.740 -0.001 0.000 0.315 373 N C 1.385 176.957 175.510 0.103 0.000 1.359 373 N CA -0.345 52.676 53.050 -0.047 0.000 0.846 373 N CB -0.348 38.129 38.487 -0.017 0.000 1.117 373 N HN 0.093 nan 8.380 nan 0.000 0.541 374 V N -0.523 119.446 119.914 0.091 0.000 2.500 374 V HA 0.023 4.143 4.120 -0.001 0.000 0.243 374 V C 1.191 177.392 176.094 0.177 0.000 1.039 374 V CA 1.183 63.566 62.300 0.138 0.000 1.053 374 V CB -0.518 31.311 31.823 0.010 0.000 0.695 374 V HN 0.327 nan 8.190 nan 0.000 0.463 375 D N 1.266 121.719 120.400 0.090 0.000 2.265 375 D HA -0.062 4.577 4.640 -0.001 0.000 0.208 375 D C 2.030 178.404 176.300 0.122 0.000 0.977 375 D CA 1.510 55.552 54.000 0.070 0.000 0.871 375 D CB -0.118 40.684 40.800 0.003 0.000 0.925 375 D HN 0.509 nan 8.370 nan 0.000 0.485 376 A N -0.955 121.961 122.820 0.160 0.000 2.072 376 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 376 A C 1.852 179.574 177.584 0.229 0.000 1.156 376 A CA 0.922 53.083 52.037 0.206 0.000 0.701 376 A CB -0.194 18.917 19.000 0.185 0.000 0.816 376 A HN 0.230 nan 8.150 nan 0.000 0.458 377 H N -0.301 118.893 119.070 0.207 0.000 2.729 377 H HA 0.097 4.652 4.556 -0.001 0.000 0.263 377 H C 2.190 177.570 175.328 0.088 0.000 0.961 377 H CA 1.155 57.253 56.048 0.084 0.000 1.217 377 H CB 0.328 29.962 29.762 -0.213 0.000 1.447 377 H HN 0.556 nan 8.280 nan 0.000 0.496 378 S N -0.625 115.238 115.700 0.271 0.000 2.329 378 S HA -0.070 4.399 4.470 -0.001 0.000 0.215 378 S C 2.462 177.166 174.600 0.173 0.000 1.031 378 S CA 0.907 59.237 58.200 0.216 0.000 0.985 378 S CB -1.199 62.095 63.200 0.156 0.000 0.917 378 S HN 0.379 nan 8.310 nan 0.000 0.441 379 G N 1.667 110.549 108.800 0.138 0.000 2.545 379 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.222 379 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.222 379 G C 1.404 176.408 174.900 0.174 0.000 1.126 379 G CA 1.346 46.528 45.100 0.138 0.000 0.754 379 G HN 0.493 nan 8.290 nan 0.000 0.583 380 V N 0.144 120.167 119.914 0.182 0.000 2.626 380 V HA -0.052 4.068 4.120 -0.001 0.000 0.252 380 V C 2.639 178.863 176.094 0.217 0.000 1.067 380 V CA 1.016 63.429 62.300 0.188 0.000 1.081 380 V CB -0.203 31.714 31.823 0.157 0.000 0.686 380 V HN 0.214 nan 8.190 nan 0.000 0.468 381 L N -1.152 120.214 121.223 0.238 0.000 2.168 381 L HA 0.116 4.455 4.340 -0.001 0.000 0.203 381 L C 2.146 179.231 176.870 0.358 0.000 1.078 381 L CA 1.262 56.288 54.840 0.310 0.000 0.780 381 L CB -0.922 41.316 42.059 0.300 0.000 0.939 381 L HN 0.174 nan 8.230 nan 0.000 0.451 382 L N -0.709 120.630 121.223 0.192 0.000 1.990 382 L HA -0.316 4.023 4.340 -0.001 0.000 0.213 382 L C 2.649 179.598 176.870 0.132 0.000 1.072 382 L CA 1.654 56.551 54.840 0.096 0.000 0.755 382 L CB -0.590 41.298 42.059 -0.284 0.000 0.889 382 L HN 0.427 nan 8.230 nan 0.000 0.432 383 Q N -0.843 119.033 119.800 0.126 0.000 2.181 383 Q HA -0.277 4.063 4.340 -0.001 0.000 0.205 383 Q C 2.154 178.170 176.000 0.026 0.000 0.980 383 Q CA 1.989 57.863 55.803 0.119 0.000 0.862 383 Q CB -0.197 28.640 28.738 0.165 0.000 0.905 383 Q HN 0.536 nan 8.270 nan 0.000 0.429 384 Y N -0.614 119.642 120.300 -0.073 0.000 2.224 384 Y HA -0.251 4.298 4.550 -0.001 0.000 0.289 384 Y C 1.201 176.775 175.900 -0.543 0.000 1.146 384 Y CA 1.514 59.445 58.100 -0.281 0.000 1.182 384 Y CB -0.225 38.026 38.460 -0.348 0.000 0.983 384 Y HN 0.113 nan 8.280 nan 0.000 0.524 385 Y N -0.347 119.853 120.300 -0.167 0.000 2.517 385 Y HA 0.253 4.802 4.550 -0.001 0.000 0.281 385 Y C 2.080 177.768 175.900 -0.354 0.000 1.125 385 Y CA 0.619 58.552 58.100 -0.278 0.000 1.283 385 Y CB 0.315 38.742 38.460 -0.055 0.000 1.042 385 Y HN 0.287 nan 8.280 nan 0.000 0.547 386 G N -1.512 107.190 108.800 -0.164 0.000 2.367 386 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.181 386 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.181 386 G C 0.730 175.642 174.900 0.020 0.000 1.000 386 G CA -0.167 44.845 45.100 -0.146 0.000 0.693 386 G HN 0.130 nan 8.290 nan 0.000 0.480 387 M N 3.535 123.171 119.600 0.060 0.000 3.763 387 M HA 0.139 4.618 4.480 -0.001 0.000 0.183 387 M C 2.104 178.529 176.300 0.207 0.000 1.544 387 M CA 1.246 56.610 55.300 0.107 0.000 1.722 387 M CB -0.427 32.137 32.600 -0.060 0.000 1.155 387 M HN 0.379 nan 8.290 nan 0.000 0.528 388 T N -2.010 112.624 114.554 0.134 0.000 3.118 388 T HA -0.022 4.327 4.350 -0.001 0.000 0.260 388 T C 0.274 174.995 174.700 0.034 0.000 1.139 388 T CA 0.474 62.644 62.100 0.117 0.000 1.085 388 T CB -0.210 68.673 68.868 0.024 0.000 0.934 388 T HN 0.465 nan 8.240 nan 0.000 0.518 389 E N 2.217 122.405 120.200 -0.019 0.000 1.802 389 E HA 0.205 4.554 4.350 -0.001 0.000 0.265 389 E C 1.361 177.803 176.600 -0.263 0.000 1.168 389 E CA -0.233 55.969 56.400 -0.330 0.000 1.033 389 E CB 0.410 29.563 29.700 -0.911 0.000 1.095 389 E HN 0.571 nan 8.360 nan 0.000 0.436 390 M N 2.091 121.402 119.600 -0.482 0.000 2.159 390 M HA -0.234 4.245 4.480 -0.001 0.000 0.263 390 M C 0.828 176.768 176.300 -0.601 0.000 1.063 390 M CA 1.834 56.479 55.300 -1.091 0.000 1.110 390 M CB -0.155 31.561 32.600 -1.475 0.000 1.374 390 M HN 0.377 nan 8.290 nan 0.000 0.411 391 N N -0.547 118.023 118.700 -0.218 0.000 2.258 391 N HA -0.231 4.508 4.740 -0.001 0.000 0.187 391 N C 1.603 177.208 175.510 0.159 0.000 1.012 391 N CA 1.530 54.572 53.050 -0.014 0.000 0.870 391 N CB -0.294 38.196 38.487 0.005 0.000 0.977 391 N HN 0.506 nan 8.380 nan 0.000 0.434 392 Y N 0.139 120.476 120.300 0.061 0.000 2.457 392 Y HA -0.112 4.437 4.550 -0.001 0.000 0.292 392 Y C 1.282 177.393 175.900 0.352 0.000 1.125 392 Y CA 0.726 58.983 58.100 0.261 0.000 1.254 392 Y CB -0.053 38.606 38.460 0.332 0.000 1.012 392 Y HN 0.072 nan 8.280 nan 0.000 0.555 393 Y N 0.359 120.746 120.300 0.146 0.000 2.348 393 Y HA -0.265 4.284 4.550 -0.001 0.000 0.285 393 Y C 2.481 178.399 175.900 0.030 0.000 1.173 393 Y CA 1.375 59.516 58.100 0.069 0.000 1.263 393 Y CB -1.713 36.808 38.460 0.101 0.000 0.974 393 Y HN 0.185 nan 8.280 nan 0.000 0.547 394 T N -2.022 112.650 114.554 0.197 0.000 2.995 394 T HA -0.049 4.300 4.350 -0.001 0.000 0.269 394 T C 2.021 176.725 174.700 0.007 0.000 1.091 394 T CA 1.092 63.278 62.100 0.143 0.000 1.128 394 T CB -0.601 68.334 68.868 0.112 0.000 0.891 394 T HN 0.196 nan 8.240 nan 0.000 0.492 395 V N 0.667 120.448 119.914 -0.222 0.000 2.649 395 V HA 0.049 4.168 4.120 -0.001 0.000 0.248 395 V C 2.349 178.349 176.094 -0.158 0.000 1.054 395 V CA 0.594 62.709 62.300 -0.309 0.000 1.073 395 V CB -0.694 30.753 31.823 -0.626 0.000 0.699 395 V HN 0.263 nan 8.190 nan 0.000 0.463 396 L N -0.515 120.617 121.223 -0.152 0.000 2.083 396 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 396 L C 2.115 179.126 176.870 0.234 0.000 1.083 396 L CA 1.932 56.769 54.840 -0.005 0.000 0.752 396 L CB -0.905 41.008 42.059 -0.243 0.000 0.899 396 L HN 0.418 nan 8.230 nan 0.000 0.433 397 F N -0.609 119.433 119.950 0.152 0.000 2.661 397 F HA 0.150 4.676 4.527 -0.001 0.000 0.298 397 F C 1.937 177.833 175.800 0.160 0.000 1.137 397 F CA 0.719 58.852 58.000 0.222 0.000 1.454 397 F CB -0.310 38.794 39.000 0.173 0.000 1.103 397 F HN 0.030 nan 8.300 nan 0.000 0.577 398 G N -0.906 107.869 108.800 -0.042 0.000 2.796 398 G HA2 0.039 3.998 3.960 -0.001 0.000 0.210 398 G HA3 0.039 3.998 3.960 -0.001 0.000 0.210 398 G C 1.398 176.385 174.900 0.145 0.000 1.146 398 G CA 0.684 45.737 45.100 -0.078 0.000 0.779 398 G HN 0.236 nan 8.290 nan 0.000 0.535 399 V N 0.546 120.539 119.914 0.131 0.000 3.129 399 V HA -0.017 4.102 4.120 -0.001 0.000 0.259 399 V C 2.681 178.913 176.094 0.230 0.000 1.116 399 V CA 1.864 64.243 62.300 0.132 0.000 1.127 399 V CB 0.647 32.460 31.823 -0.017 0.000 0.742 399 V HN 0.410 nan 8.190 nan 0.000 0.474 400 S N 0.100 115.951 115.700 0.252 0.000 2.398 400 S HA -0.042 4.427 4.470 -0.001 0.000 0.220 400 S C 2.113 176.816 174.600 0.172 0.000 1.046 400 S CA 0.377 58.754 58.200 0.295 0.000 0.953 400 S CB -0.155 63.307 63.200 0.437 0.000 0.856 400 S HN 0.372 nan 8.310 nan 0.000 0.506 401 R N 2.036 122.581 120.500 0.074 0.000 2.332 401 R HA 0.066 4.405 4.340 -0.001 0.000 0.239 401 R C 1.777 178.145 176.300 0.114 0.000 1.160 401 R CA 1.403 57.529 56.100 0.043 0.000 1.020 401 R CB -1.183 29.027 30.300 -0.149 0.000 0.859 401 R HN 0.446 nan 8.270 nan 0.000 0.478 402 A N 0.269 123.138 122.820 0.083 0.000 1.858 402 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 402 A C 2.120 179.579 177.584 -0.208 0.000 1.190 402 A CA 1.616 53.562 52.037 -0.151 0.000 0.617 402 A CB -0.637 18.173 19.000 -0.316 0.000 0.827 402 A HN 0.355 nan 8.150 nan 0.000 0.443 403 L N -0.908 120.213 121.223 -0.169 0.000 2.189 403 L HA -0.133 4.207 4.340 -0.001 0.000 0.214 403 L C 2.386 179.293 176.870 0.062 0.000 1.097 403 L CA 1.155 55.924 54.840 -0.118 0.000 0.764 403 L CB -0.537 41.469 42.059 -0.089 0.000 0.900 403 L HN 0.497 nan 8.230 nan 0.000 0.436 404 G N -1.885 106.958 108.800 0.071 0.000 3.044 404 G HA2 0.101 4.060 3.960 -0.001 0.000 0.223 404 G HA3 0.101 4.060 3.960 -0.001 0.000 0.223 404 G C 1.255 176.276 174.900 0.201 0.000 1.123 404 G CA 0.011 45.187 45.100 0.128 0.000 0.765 404 G HN 0.109 nan 8.290 nan 0.000 0.546 405 V N 0.565 120.589 119.914 0.183 0.000 3.354 405 V HA 0.261 4.380 4.120 -0.001 0.000 0.258 405 V C 2.320 178.506 176.094 0.153 0.000 1.159 405 V CA 0.637 63.081 62.300 0.241 0.000 1.125 405 V CB 0.101 32.089 31.823 0.274 0.000 0.774 405 V HN 0.299 nan 8.190 nan 0.000 0.464 406 L N -0.331 120.924 121.223 0.054 0.000 2.200 406 L HA 0.196 4.536 4.340 -0.001 0.000 0.200 406 L C 2.371 179.290 176.870 0.081 0.000 1.072 406 L CA 1.198 56.036 54.840 -0.003 0.000 0.787 406 L CB -0.715 41.254 42.059 -0.149 0.000 0.957 406 L HN 0.299 nan 8.230 nan 0.000 0.459 407 A N -0.332 122.581 122.820 0.155 0.000 2.276 407 A HA -0.171 4.149 4.320 -0.001 0.000 0.205 407 A C 1.750 179.404 177.584 0.117 0.000 1.234 407 A CA 1.468 53.596 52.037 0.152 0.000 0.797 407 A CB -0.379 18.710 19.000 0.150 0.000 0.769 407 A HN 0.533 nan 8.150 nan 0.000 0.491 408 Q N -2.454 117.395 119.800 0.082 0.000 2.167 408 Q HA 0.153 4.492 4.340 -0.001 0.000 0.251 408 Q C 1.273 177.328 176.000 0.092 0.000 0.768 408 Q CA 0.075 55.901 55.803 0.039 0.000 0.944 408 Q CB -0.391 28.137 28.738 -0.350 0.000 1.179 408 Q HN 0.204 nan 8.270 nan 0.000 0.478 409 L N 1.004 122.280 121.223 0.087 0.000 2.046 409 L HA 0.055 4.394 4.340 -0.001 0.000 0.208 409 L C 1.817 178.686 176.870 -0.003 0.000 1.077 409 L CA 1.804 56.681 54.840 0.061 0.000 0.747 409 L CB -0.766 41.315 42.059 0.038 0.000 0.896 409 L HN 0.468 nan 8.230 nan 0.000 0.432 410 I N -2.213 118.357 120.570 -0.001 0.000 2.423 410 I HA -0.336 3.833 4.170 -0.001 0.000 0.254 410 I C 1.931 177.934 176.117 -0.190 0.000 1.151 410 I CA 1.331 62.607 61.300 -0.040 0.000 1.421 410 I CB -0.248 37.725 38.000 -0.044 0.000 1.079 410 I HN 0.378 nan 8.210 nan 0.000 0.431 411 W N 0.317 121.521 121.300 -0.160 0.000 2.588 411 W HA -0.062 4.597 4.660 -0.002 0.000 0.277 411 W C 2.851 179.080 176.519 -0.482 0.000 1.221 411 W CA 0.818 57.995 57.345 -0.279 0.000 1.355 411 W CB -0.288 29.018 29.460 -0.257 0.000 1.083 411 W HN -0.032 nan 8.180 nan 0.000 0.581 412 S N 0.302 115.828 115.700 -0.290 0.000 2.382 412 S HA -0.163 4.306 4.470 -0.001 0.000 0.228 412 S C 1.680 176.037 174.600 -0.406 0.000 1.027 412 S CA 1.047 58.835 58.200 -0.686 0.000 0.991 412 S CB -0.331 62.841 63.200 -0.047 0.000 0.823 412 S HN 0.077 nan 8.310 nan 0.000 0.469 413 R N 2.000 122.396 120.500 -0.173 0.000 2.055 413 R HA 0.257 4.596 4.340 -0.001 0.000 0.228 413 R C 2.643 178.929 176.300 -0.023 0.000 1.143 413 R CA 1.459 57.537 56.100 -0.037 0.000 0.945 413 R CB -1.409 28.887 30.300 -0.007 0.000 0.841 413 R HN 0.410 nan 8.270 nan 0.000 0.429 414 A N 0.754 123.494 122.820 -0.134 0.000 1.873 414 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 414 A C 2.085 179.567 177.584 -0.171 0.000 1.193 414 A CA 1.978 53.855 52.037 -0.267 0.000 0.629 414 A CB -0.938 17.596 19.000 -0.776 0.000 0.826 414 A HN 0.298 nan 8.150 nan 0.000 0.447 415 L N -1.146 119.959 121.223 -0.197 0.000 2.456 415 L HA 0.184 4.524 4.340 -0.001 0.000 0.224 415 L C 1.554 178.418 176.870 -0.011 0.000 1.148 415 L CA 0.502 55.287 54.840 -0.093 0.000 0.825 415 L CB -0.929 41.103 42.059 -0.046 0.000 0.937 415 L HN 0.600 nan 8.230 nan 0.000 0.450 416 G N -0.149 108.628 108.800 -0.038 0.000 2.256 416 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.272 416 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.272 416 G C -0.046 174.978 174.900 0.206 0.000 1.076 416 G CA -0.576 44.579 45.100 0.092 0.000 0.882 416 G HN 0.065 nan 8.290 nan 0.000 0.497 417 F N 0.622 120.639 119.950 0.111 0.000 2.529 417 F HA 0.382 4.909 4.527 -0.001 0.000 0.365 417 F C -0.464 175.380 175.800 0.072 0.000 1.102 417 F CA -2.369 55.686 58.000 0.093 0.000 1.271 417 F CB -0.034 39.022 39.000 0.092 0.000 1.120 417 F HN 0.074 nan 8.300 nan 0.000 0.579 418 P HA 0.199 nan 4.420 nan 0.000 0.282 418 P C -0.678 176.688 177.300 0.110 0.000 1.287 418 P CA -0.735 62.457 63.100 0.154 0.000 0.792 418 P CB 0.742 32.510 31.700 0.113 0.000 1.163 419 L N 0.772 122.044 121.223 0.082 0.000 2.584 419 L HA -0.010 4.329 4.340 -0.001 0.000 0.272 419 L C 0.937 177.840 176.870 0.054 0.000 1.195 419 L CA 0.508 55.381 54.840 0.055 0.000 0.920 419 L CB -1.145 40.943 42.059 0.047 0.000 1.173 419 L HN 0.402 nan 8.230 nan 0.000 0.489 420 E N 5.889 126.119 120.200 0.051 0.000 2.415 420 E HA 0.104 4.453 4.350 -0.001 0.000 0.263 420 E C -0.115 176.518 176.600 0.055 0.000 0.995 420 E CA -0.012 56.433 56.400 0.074 0.000 0.915 420 E CB 0.390 30.161 29.700 0.119 0.000 0.951 420 E HN 0.521 nan 8.360 nan 0.000 0.449 421 R N 5.064 125.597 120.500 0.055 0.000 3.189 421 R HA 0.192 4.531 4.340 -0.001 0.000 0.222 421 R C -2.769 173.550 176.300 0.032 0.000 1.735 421 R CA -1.072 55.051 56.100 0.038 0.000 1.129 421 R CB 0.587 30.906 30.300 0.031 0.000 1.549 421 R HN 0.424 nan 8.270 nan 0.000 0.525 422 P HA 0.255 nan 4.420 nan 0.000 0.297 422 P C -0.946 176.362 177.300 0.013 0.000 1.342 422 P CA -0.735 62.380 63.100 0.026 0.000 0.801 422 P CB 1.461 33.181 31.700 0.034 0.000 0.920 423 K N 2.458 122.863 120.400 0.008 0.000 2.524 423 K HA 0.164 4.483 4.320 -0.001 0.000 0.279 423 K C 0.239 176.835 176.600 -0.007 0.000 0.993 423 K CA 0.130 56.418 56.287 0.002 0.000 1.030 423 K CB 0.080 32.580 32.500 0.001 0.000 0.891 423 K HN 0.527 nan 8.250 nan 0.000 0.488 424 S N 4.518 120.211 115.700 -0.011 0.000 2.654 424 S HA 0.437 4.906 4.470 -0.001 0.000 0.283 424 S C 0.511 175.091 174.600 -0.033 0.000 1.180 424 S CA -0.970 57.215 58.200 -0.024 0.000 1.021 424 S CB 0.629 63.815 63.200 -0.023 0.000 1.018 424 S HN 0.625 nan 8.310 nan 0.000 0.532 425 M N 2.009 121.575 119.600 -0.057 0.000 1.738 425 M HA 0.385 4.864 4.480 -0.001 0.000 0.184 425 M C 0.082 176.344 176.300 -0.062 0.000 1.265 425 M CA -0.114 55.139 55.300 -0.078 0.000 0.834 425 M CB 0.305 32.863 32.600 -0.069 0.000 1.163 425 M HN 1.010 nan 8.290 nan 0.000 0.436 426 S N -1.903 113.754 115.700 -0.072 0.000 2.744 426 S HA 0.104 4.574 4.470 -0.001 0.000 0.310 426 S C -0.274 174.315 174.600 -0.019 0.000 0.896 426 S CA -0.753 57.425 58.200 -0.037 0.000 0.807 426 S CB 0.263 63.454 63.200 -0.015 0.000 1.007 426 S HN 0.644 nan 8.310 nan 0.000 0.483 427 T N 1.981 116.545 114.554 0.017 0.000 2.995 427 T HA 0.002 4.351 4.350 -0.001 0.000 0.269 427 T C 0.815 175.558 174.700 0.072 0.000 1.091 427 T CA 1.815 63.968 62.100 0.089 0.000 1.128 427 T CB -0.503 68.479 68.868 0.190 0.000 0.891 427 T HN 0.735 nan 8.240 nan 0.000 0.492 428 D N 1.010 121.435 120.400 0.043 0.000 2.234 428 D HA 0.072 4.711 4.640 -0.001 0.000 0.205 428 D C 2.265 178.582 176.300 0.028 0.000 0.962 428 D CA 0.755 54.776 54.000 0.034 0.000 0.855 428 D CB -0.550 40.266 40.800 0.026 0.000 0.951 428 D HN 0.422 nan 8.370 nan 0.000 0.500 429 G N 0.718 109.531 108.800 0.021 0.000 2.434 429 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.214 429 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.214 429 G C 1.585 176.497 174.900 0.021 0.000 1.202 429 G CA 0.233 45.342 45.100 0.015 0.000 0.788 429 G HN 0.202 nan 8.290 nan 0.000 0.539 430 L N 0.426 121.665 121.223 0.027 0.000 2.042 430 L HA -0.029 4.310 4.340 -0.001 0.000 0.210 430 L C 2.841 179.741 176.870 0.050 0.000 1.076 430 L CA 0.656 55.520 54.840 0.039 0.000 0.749 430 L CB -0.329 41.767 42.059 0.061 0.000 0.893 430 L HN 0.190 nan 8.230 nan 0.000 0.432 431 I N -0.252 120.352 120.570 0.057 0.000 2.300 431 I HA -0.362 3.807 4.170 -0.001 0.000 0.252 431 I C 2.482 178.618 176.117 0.031 0.000 1.119 431 I CA 1.417 62.745 61.300 0.047 0.000 1.384 431 I CB -0.398 37.628 38.000 0.043 0.000 1.062 431 I HN 0.283 nan 8.210 nan 0.000 0.426 432 A N 0.043 122.878 122.820 0.026 0.000 2.044 432 A HA 0.122 4.441 4.320 -0.001 0.000 0.213 432 A C 1.230 178.825 177.584 0.017 0.000 1.169 432 A CA -0.136 51.912 52.037 0.019 0.000 0.724 432 A CB -0.257 18.753 19.000 0.016 0.000 0.840 432 A HN 0.284 nan 8.150 nan 0.000 0.463 433 L N 0.000 121.235 121.223 0.019 0.000 2.949 433 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 433 L CA 0.000 54.850 54.840 0.016 0.000 0.813 433 L CB 0.000 42.068 42.059 0.015 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502