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 3n7u_1_G DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.244 176.300 -0.094 0.000 2.045 28 D CA 0.000 53.943 54.000 -0.094 0.000 0.868 28 D CB 0.000 40.736 40.800 -0.107 0.000 0.688 29 S N 0.432 116.064 115.700 -0.115 0.000 2.533 29 S HA 0.407 4.877 4.470 -0.000 0.000 0.282 29 S C -0.044 174.582 174.600 0.044 0.000 1.304 29 S CA 0.083 58.222 58.200 -0.101 0.000 1.063 29 S CB 0.657 63.777 63.200 -0.133 0.000 0.881 29 S HN 0.154 nan 8.310 nan 0.000 0.493 30 K N 2.265 122.858 120.400 0.322 0.000 2.221 30 K HA 0.491 4.811 4.320 -0.000 0.000 0.243 30 K C -0.929 175.870 176.600 0.331 0.000 0.968 30 K CA -0.795 55.621 56.287 0.215 0.000 0.846 30 K CB 1.259 33.865 32.500 0.177 0.000 1.141 30 K HN 0.526 nan 8.250 nan 0.000 0.434 31 K N 2.667 123.371 120.400 0.508 0.000 2.334 31 K HA 0.411 4.731 4.320 -0.000 0.000 0.265 31 K C -1.289 175.465 176.600 0.257 0.000 1.039 31 K CA -0.055 56.425 56.287 0.322 0.000 0.920 31 K CB 0.116 32.757 32.500 0.235 0.000 1.160 31 K HN 0.493 nan 8.250 nan 0.000 0.451 32 I N 4.558 125.263 120.570 0.226 0.000 2.378 32 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 32 I C -0.779 175.476 176.117 0.229 0.000 0.992 32 I CA -1.294 60.141 61.300 0.225 0.000 1.154 32 I CB 2.028 40.161 38.000 0.221 0.000 1.315 32 I HN 0.244 nan 8.210 nan 0.000 0.448 33 V N 4.730 124.720 119.914 0.126 0.000 2.459 33 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 33 V C 0.456 176.538 176.094 -0.019 0.000 1.029 33 V CA -0.534 61.775 62.300 0.015 0.000 0.874 33 V CB 1.706 33.505 31.823 -0.039 0.000 0.985 33 V HN 0.890 nan 8.190 nan 0.000 0.438 34 G N 3.178 111.867 108.800 -0.184 0.000 2.368 34 G HA2 0.567 4.527 3.960 -0.000 0.000 0.320 34 G HA3 0.567 4.527 3.960 -0.000 0.000 0.320 34 G C -0.993 173.396 174.900 -0.852 0.000 1.158 34 G CA -0.370 44.380 45.100 -0.583 0.000 0.912 34 G HN 0.537 nan 8.290 nan 0.000 0.456 35 V N 3.453 122.841 119.914 -0.875 0.000 2.313 35 V HA 0.519 4.639 4.120 -0.000 0.000 0.278 35 V C -0.589 175.136 176.094 -0.614 0.000 1.017 35 V CA -0.359 61.596 62.300 -0.575 0.000 0.823 35 V CB -0.345 31.339 31.823 -0.231 0.000 1.010 35 V HN 0.609 nan 8.190 nan 0.000 0.443 36 F N 2.882 122.818 119.950 -0.022 0.000 2.654 36 F HA 0.663 5.190 4.527 -0.000 0.000 0.334 36 F C 0.002 175.718 175.800 -0.140 0.000 1.078 36 F CA -1.456 56.477 58.000 -0.113 0.000 0.986 36 F CB 1.367 40.204 39.000 -0.272 0.000 1.362 36 F HN 0.509 nan 8.300 nan 0.000 0.498 37 Y N 0.008 120.375 120.300 0.110 0.000 2.326 37 Y HA 0.473 5.023 4.550 -0.000 0.000 0.333 37 Y C -0.283 175.542 175.900 -0.125 0.000 1.240 37 Y CA -1.484 56.482 58.100 -0.223 0.000 1.365 37 Y CB 0.275 38.690 38.460 -0.075 0.000 1.289 37 Y HN 0.424 nan 8.280 nan 0.000 0.548 38 K N 1.178 121.587 120.400 0.016 0.000 2.172 38 K HA 0.650 4.970 4.320 -0.000 0.000 0.276 38 K C 0.026 176.714 176.600 0.147 0.000 1.013 38 K CA -0.084 56.223 56.287 0.033 0.000 0.913 38 K CB 1.085 33.584 32.500 -0.002 0.000 1.055 38 K HN 0.931 nan 8.250 nan 0.000 0.461 39 A N 3.657 126.556 122.820 0.132 0.000 2.259 39 A HA 0.125 4.445 4.320 -0.000 0.000 0.213 39 A C 0.474 178.225 177.584 0.278 0.000 1.209 39 A CA 0.133 52.334 52.037 0.274 0.000 0.910 39 A CB -0.315 18.822 19.000 0.228 0.000 0.946 39 A HN 1.041 nan 8.150 nan 0.000 0.497 40 N N 0.206 118.987 118.700 0.134 0.000 1.156 40 N HA -0.289 4.451 4.740 -0.000 0.000 0.125 40 N C 0.762 176.302 175.510 0.050 0.000 0.726 40 N CA 2.134 55.231 53.050 0.079 0.000 0.887 40 N CB -1.130 37.405 38.487 0.080 0.000 1.163 40 N HN 0.541 nan 8.380 nan 0.000 0.564 41 E N 0.115 120.286 120.200 -0.049 0.000 2.333 41 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 41 E C 1.614 178.129 176.600 -0.142 0.000 1.007 41 E CA 1.360 57.676 56.400 -0.141 0.000 0.845 41 E CB -0.404 29.141 29.700 -0.258 0.000 0.766 41 E HN 0.615 nan 8.360 nan 0.000 0.507 42 Y N 0.699 121.077 120.300 0.130 0.000 2.439 42 Y HA 0.038 4.588 4.550 -0.000 0.000 0.292 42 Y C 2.452 178.552 175.900 0.332 0.000 1.130 42 Y CA 0.516 58.737 58.100 0.202 0.000 1.254 42 Y CB -0.221 38.385 38.460 0.243 0.000 1.000 42 Y HN 0.130 nan 8.280 nan 0.000 0.554 43 A N 0.026 123.062 122.820 0.360 0.000 1.972 43 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 43 A C 2.176 179.875 177.584 0.191 0.000 1.169 43 A CA 2.141 54.304 52.037 0.209 0.000 0.635 43 A CB -1.164 17.841 19.000 0.009 0.000 0.810 43 A HN 0.460 nan 8.150 nan 0.000 0.446 44 T N -3.351 111.284 114.554 0.135 0.000 3.129 44 T HA 0.195 4.545 4.350 -0.000 0.000 0.251 44 T C 1.291 176.050 174.700 0.099 0.000 1.117 44 T CA 0.726 62.878 62.100 0.087 0.000 1.034 44 T CB 0.003 68.896 68.868 0.042 0.000 0.968 44 T HN 0.469 nan 8.240 nan 0.000 0.526 45 K N 0.965 121.455 120.400 0.150 0.000 2.400 45 K HA 0.188 4.508 4.320 -0.000 0.000 0.194 45 K C 0.293 176.944 176.600 0.085 0.000 1.033 45 K CA 0.015 56.365 56.287 0.106 0.000 1.021 45 K CB 0.222 32.791 32.500 0.117 0.000 0.808 45 K HN 0.206 nan 8.250 nan 0.000 0.505 46 N N -0.219 118.560 118.700 0.132 0.000 2.537 46 N HA 0.094 4.834 4.740 -0.000 0.000 0.281 46 N C -2.534 173.050 175.510 0.123 0.000 1.097 46 N CA -1.360 51.746 53.050 0.093 0.000 0.964 46 N CB 1.842 40.354 38.487 0.041 0.000 1.588 46 N HN -0.246 nan 8.380 nan 0.000 0.511 47 P HA 0.019 nan 4.420 nan 0.000 0.226 47 P C 0.224 177.547 177.300 0.038 0.000 1.153 47 P CA 0.754 63.882 63.100 0.047 0.000 0.777 47 P CB 0.528 32.241 31.700 0.022 0.000 0.794 48 N N -0.659 118.067 118.700 0.042 0.000 2.322 48 N HA 0.024 4.764 4.740 -0.000 0.000 0.194 48 N C 0.077 175.632 175.510 0.075 0.000 1.126 48 N CA -0.133 52.928 53.050 0.018 0.000 0.845 48 N CB -0.484 37.993 38.487 -0.016 0.000 0.976 48 N HN 0.274 nan 8.380 nan 0.000 0.475 49 F N 2.021 121.929 119.950 -0.070 0.000 2.661 49 F HA 0.134 4.661 4.527 -0.000 0.000 0.356 49 F C 0.875 176.617 175.800 -0.096 0.000 1.244 49 F CA -0.435 57.525 58.000 -0.067 0.000 1.290 49 F CB -0.089 38.901 39.000 -0.016 0.000 1.677 49 F HN -0.055 nan 8.300 nan 0.000 0.649 50 L N 2.878 124.087 121.223 -0.024 0.000 2.418 50 L HA 0.053 4.393 4.340 -0.000 0.000 0.218 50 L C 2.454 179.117 176.870 -0.344 0.000 1.125 50 L CA 0.716 55.432 54.840 -0.207 0.000 0.835 50 L CB -0.498 41.443 42.059 -0.197 0.000 0.953 50 L HN 0.585 nan 8.230 nan 0.000 0.454 51 G N 0.069 108.709 108.800 -0.268 0.000 2.848 51 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.208 51 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.208 51 G C 0.737 175.143 174.900 -0.823 0.000 1.152 51 G CA 0.242 45.129 45.100 -0.356 0.000 0.789 51 G HN 0.492 nan 8.290 nan 0.000 0.531 52 C N -1.954 116.849 119.300 -0.828 0.000 2.362 52 C HA 0.626 5.086 4.460 -0.000 0.000 0.363 52 C C 1.914 176.678 174.990 -0.377 0.000 1.220 52 C CA -0.754 57.809 59.018 -0.758 0.000 2.379 52 C CB 1.198 28.477 27.740 -0.769 0.000 2.351 52 C HN 0.052 nan 8.230 nan 0.000 0.582 53 V N 1.745 121.568 119.914 -0.153 0.000 2.231 53 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 53 V C 2.679 178.735 176.094 -0.064 0.000 1.054 53 V CA 2.781 65.082 62.300 0.003 0.000 1.015 53 V CB -0.935 30.870 31.823 -0.031 0.000 0.638 53 V HN 0.981 nan 8.190 nan 0.000 0.444 54 E N 0.454 120.583 120.200 -0.119 0.000 2.118 54 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 54 E C 1.911 178.450 176.600 -0.102 0.000 0.992 54 E CA 1.482 57.823 56.400 -0.098 0.000 0.804 54 E CB -0.291 29.355 29.700 -0.090 0.000 0.741 54 E HN 0.598 nan 8.360 nan 0.000 0.458 55 N N -0.614 117.981 118.700 -0.175 0.000 2.388 55 N HA 0.147 4.887 4.740 -0.000 0.000 0.176 55 N C 0.150 175.597 175.510 -0.105 0.000 1.062 55 N CA 0.844 53.807 53.050 -0.145 0.000 0.895 55 N CB 0.552 38.916 38.487 -0.206 0.000 1.018 55 N HN 0.108 nan 8.380 nan 0.000 0.456 56 A N 1.181 123.918 122.820 -0.138 0.000 2.704 56 A HA -0.211 4.109 4.320 -0.000 0.000 0.299 56 A C 0.772 178.330 177.584 -0.043 0.000 1.507 56 A CA 0.933 52.954 52.037 -0.027 0.000 0.776 56 A CB -2.309 16.788 19.000 0.160 0.000 1.027 56 A HN 0.460 nan 8.150 nan 0.000 0.475 57 L N -4.454 116.599 121.223 -0.283 0.000 4.759 57 L HA -0.290 4.050 4.340 -0.000 0.000 0.419 57 L C 1.680 178.487 176.870 -0.105 0.000 1.093 57 L CA 0.764 55.474 54.840 -0.217 0.000 1.037 57 L CB -1.970 39.985 42.059 -0.174 0.000 2.095 57 L HN 2.385 nan 8.230 nan 0.000 0.739 58 G N 0.581 109.348 108.800 -0.055 0.000 2.155 58 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 58 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 58 G C 0.563 175.483 174.900 0.033 0.000 0.983 58 G CA 0.654 45.742 45.100 -0.019 0.000 0.676 58 G HN 0.891 nan 8.290 nan 0.000 0.528 59 I N -2.324 118.301 120.570 0.092 0.000 3.928 59 I HA 0.409 4.579 4.170 -0.000 0.000 0.335 59 I C 1.978 178.232 176.117 0.227 0.000 1.325 59 I CA 0.418 61.800 61.300 0.136 0.000 1.107 59 I CB -0.095 37.951 38.000 0.077 0.000 1.014 59 I HN 0.158 nan 8.210 nan 0.000 0.400 60 R N 1.876 122.548 120.500 0.288 0.000 2.070 60 R HA -0.237 4.103 4.340 -0.000 0.000 0.232 60 R C 1.988 178.428 176.300 0.233 0.000 1.138 60 R CA 2.495 58.809 56.100 0.357 0.000 0.936 60 R CB -0.347 30.172 30.300 0.364 0.000 0.839 60 R HN 0.364 nan 8.270 nan 0.000 0.429 61 D N -0.402 120.113 120.400 0.193 0.000 2.123 61 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 61 D C 1.592 177.998 176.300 0.177 0.000 0.992 61 D CA 1.287 55.379 54.000 0.152 0.000 0.833 61 D CB -0.390 40.484 40.800 0.123 0.000 0.954 61 D HN 0.392 nan 8.370 nan 0.000 0.455 62 W N 0.914 122.235 121.300 0.035 0.000 2.335 62 W HA -0.164 4.496 4.660 -0.000 0.000 0.311 62 W C 2.203 178.755 176.519 0.055 0.000 1.213 62 W CA 1.565 58.933 57.345 0.037 0.000 1.274 62 W CB -0.539 28.941 29.460 0.033 0.000 1.148 62 W HN 0.010 nan 8.180 nan 0.000 0.498 63 L N 0.032 121.320 121.223 0.108 0.000 2.005 63 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 63 L C 2.461 179.300 176.870 -0.052 0.000 1.072 63 L CA 1.866 56.679 54.840 -0.045 0.000 0.744 63 L CB -0.978 41.059 42.059 -0.037 0.000 0.895 63 L HN -0.007 nan 8.230 nan 0.000 0.433 64 E N -0.379 119.831 120.200 0.016 0.000 2.150 64 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 64 E C 2.251 178.807 176.600 -0.074 0.000 0.985 64 E CA 1.208 57.610 56.400 0.004 0.000 0.814 64 E CB 0.002 29.740 29.700 0.063 0.000 0.752 64 E HN 0.338 nan 8.360 nan 0.000 0.466 65 S N 1.023 116.675 115.700 -0.079 0.000 2.442 65 S HA -0.141 4.329 4.470 -0.000 0.000 0.236 65 S C 1.528 176.012 174.600 -0.192 0.000 1.007 65 S CA 0.908 59.045 58.200 -0.106 0.000 0.965 65 S CB -0.044 63.117 63.200 -0.065 0.000 0.773 65 S HN 0.286 nan 8.310 nan 0.000 0.504 66 Q N -0.287 119.333 119.800 -0.300 0.000 2.280 66 Q HA 0.299 4.639 4.340 -0.000 0.000 0.201 66 Q C 1.217 176.878 176.000 -0.566 0.000 0.890 66 Q CA 0.276 55.822 55.803 -0.430 0.000 0.947 66 Q CB 0.555 28.957 28.738 -0.560 0.000 1.081 66 Q HN 0.571 nan 8.270 nan 0.000 0.502 67 G N 0.734 109.285 108.800 -0.416 0.000 2.175 67 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.244 67 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.244 67 G C -0.082 174.579 174.900 -0.399 0.000 0.982 67 G CA -0.337 44.532 45.100 -0.386 0.000 0.641 67 G HN 0.393 nan 8.290 nan 0.000 0.527 68 H N 0.295 119.257 119.070 -0.180 0.000 2.505 68 H HA 0.490 5.046 4.556 -0.000 0.000 0.351 68 H C 0.425 175.749 175.328 -0.007 0.000 1.151 68 H CA 0.241 56.224 56.048 -0.110 0.000 1.339 68 H CB 1.139 30.812 29.762 -0.148 0.000 1.483 68 H HN 0.472 nan 8.280 nan 0.000 0.558 69 Q N 1.699 121.610 119.800 0.185 0.000 2.241 69 Q HA 0.179 4.519 4.340 -0.000 0.000 0.254 69 Q C -1.642 174.506 176.000 0.248 0.000 0.917 69 Q CA -0.732 55.169 55.803 0.164 0.000 0.919 69 Q CB 0.868 29.676 28.738 0.115 0.000 1.237 69 Q HN 0.531 nan 8.270 nan 0.000 0.434 70 Y N 5.219 125.553 120.300 0.055 0.000 2.363 70 Y HA 0.439 4.989 4.550 -0.000 0.000 0.325 70 Y C -1.419 174.479 175.900 -0.003 0.000 0.984 70 Y CA -1.371 56.761 58.100 0.054 0.000 1.248 70 Y CB 0.721 39.239 38.460 0.097 0.000 1.116 70 Y HN 0.595 nan 8.280 nan 0.000 0.470 71 I N 6.806 127.334 120.570 -0.070 0.000 2.339 71 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 71 I C -0.876 175.033 176.117 -0.347 0.000 0.994 71 I CA -0.963 60.188 61.300 -0.248 0.000 1.191 71 I CB 1.462 39.238 38.000 -0.372 0.000 1.343 71 I HN 0.204 nan 8.210 nan 0.000 0.458 72 V N 4.942 124.640 119.914 -0.360 0.000 2.540 72 V HA 0.619 4.739 4.120 -0.000 0.000 0.302 72 V C -0.123 175.844 176.094 -0.211 0.000 1.035 72 V CA -0.382 61.699 62.300 -0.365 0.000 0.873 72 V CB 1.919 33.499 31.823 -0.404 0.000 0.992 72 V HN 0.792 nan 8.190 nan 0.000 0.428 73 T N 1.293 115.725 114.554 -0.202 0.000 2.868 73 T HA 0.343 4.693 4.350 -0.000 0.000 0.306 73 T C -0.321 174.328 174.700 -0.086 0.000 1.224 73 T CA -0.229 61.810 62.100 -0.102 0.000 1.012 73 T CB 1.947 70.790 68.868 -0.041 0.000 1.221 73 T HN 0.880 nan 8.240 nan 0.000 0.499 74 D N 1.024 121.408 120.400 -0.027 0.000 2.369 74 D HA 0.110 4.750 4.640 -0.000 0.000 0.211 74 D C 0.067 176.468 176.300 0.168 0.000 1.077 74 D CA -0.154 53.867 54.000 0.035 0.000 0.842 74 D CB 0.213 40.937 40.800 -0.126 0.000 0.947 74 D HN 0.403 nan 8.370 nan 0.000 0.509 75 D N 1.377 121.826 120.400 0.082 0.000 2.468 75 D HA 0.086 4.726 4.640 -0.000 0.000 0.218 75 D C 0.878 177.214 176.300 0.061 0.000 1.155 75 D CA -0.164 53.883 54.000 0.078 0.000 0.924 75 D CB 0.491 41.319 40.800 0.046 0.000 1.029 75 D HN 0.281 nan 8.370 nan 0.000 0.515 76 K N 1.269 121.709 120.400 0.067 0.000 2.438 76 K HA 0.217 4.537 4.320 -0.000 0.000 0.206 76 K C -0.082 176.537 176.600 0.032 0.000 1.081 76 K CA -0.423 55.878 56.287 0.025 0.000 1.053 76 K CB 0.657 33.139 32.500 -0.031 0.000 0.908 76 K HN -0.022 nan 8.250 nan 0.000 0.556 77 E N 1.905 122.131 120.200 0.044 0.000 2.197 77 E HA 0.397 4.747 4.350 -0.000 0.000 0.281 77 E C 0.446 177.068 176.600 0.038 0.000 0.995 77 E CA 0.412 56.844 56.400 0.053 0.000 0.808 77 E CB 1.344 31.078 29.700 0.056 0.000 1.093 77 E HN 0.468 nan 8.360 nan 0.000 0.394 78 G N 4.761 113.582 108.800 0.035 0.000 2.757 78 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.638 78 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.638 78 G C -1.829 173.078 174.900 0.011 0.000 1.344 78 G CA -0.335 44.778 45.100 0.021 0.000 0.855 78 G HN 0.434 nan 8.290 nan 0.000 0.537 79 P HA 0.105 nan 4.420 nan 0.000 0.225 79 P C 0.397 177.690 177.300 -0.011 0.000 1.156 79 P CA 1.504 64.602 63.100 -0.004 0.000 0.787 79 P CB 0.206 31.903 31.700 -0.004 0.000 0.802 80 D N -0.403 119.992 120.400 -0.008 0.000 2.462 80 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 80 D C 0.767 177.059 176.300 -0.014 0.000 1.173 80 D CA -0.059 53.933 54.000 -0.014 0.000 0.831 80 D CB -0.227 40.568 40.800 -0.008 0.000 1.001 80 D HN 0.276 nan 8.370 nan 0.000 0.499 81 C N -0.355 118.940 119.300 -0.009 0.000 2.403 81 C HA 0.396 4.856 4.460 -0.000 0.000 0.361 81 C C 2.255 177.233 174.990 -0.019 0.000 1.274 81 C CA -0.687 58.330 59.018 -0.001 0.000 2.433 81 C CB 2.071 29.821 27.740 0.016 0.000 2.323 81 C HN 0.085 nan 8.230 nan 0.000 0.614 82 E N 0.304 120.504 120.200 -0.000 0.000 2.085 82 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 82 E C 1.662 178.276 176.600 0.024 0.000 0.994 82 E CA 1.740 58.143 56.400 0.006 0.000 0.801 82 E CB -0.355 29.380 29.700 0.059 0.000 0.743 82 E HN 0.738 nan 8.360 nan 0.000 0.453 83 L N 1.079 122.331 121.223 0.048 0.000 1.990 83 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 83 L C 2.228 179.107 176.870 0.015 0.000 1.072 83 L CA 2.456 57.332 54.840 0.061 0.000 0.755 83 L CB -0.928 41.146 42.059 0.025 0.000 0.889 83 L HN 0.163 nan 8.230 nan 0.000 0.432 84 E N -0.072 120.115 120.200 -0.022 0.000 2.130 84 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 84 E C 2.181 178.720 176.600 -0.101 0.000 0.998 84 E CA 1.541 57.917 56.400 -0.041 0.000 0.806 84 E CB -0.170 29.511 29.700 -0.031 0.000 0.738 84 E HN 0.468 nan 8.360 nan 0.000 0.459 85 K N -0.726 119.551 120.400 -0.206 0.000 2.160 85 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 85 K C 1.643 177.994 176.600 -0.414 0.000 1.047 85 K CA 1.484 57.553 56.287 -0.364 0.000 0.930 85 K CB -0.192 31.946 32.500 -0.603 0.000 0.720 85 K HN 0.425 nan 8.250 nan 0.000 0.450 86 H N -0.733 118.329 119.070 -0.014 0.000 2.648 86 H HA 0.128 4.684 4.556 -0.000 0.000 0.265 86 H C 1.976 177.290 175.328 -0.023 0.000 0.961 86 H CA 0.134 56.172 56.048 -0.017 0.000 1.185 86 H CB 0.143 29.895 29.762 -0.015 0.000 1.449 86 H HN 0.098 nan 8.280 nan 0.000 0.523 87 I N 1.716 122.314 120.570 0.047 0.000 2.194 87 I HA -0.193 3.977 4.170 -0.000 0.000 0.246 87 I C -0.579 175.542 176.117 0.006 0.000 1.093 87 I CA 1.245 62.559 61.300 0.023 0.000 1.355 87 I CB -0.810 37.195 38.000 0.009 0.000 1.046 87 I HN 0.157 nan 8.210 nan 0.000 0.413 88 P HA -0.140 nan 4.420 nan 0.000 0.220 88 P C 0.392 177.677 177.300 -0.024 0.000 1.148 88 P CA 1.530 64.623 63.100 -0.011 0.000 0.803 88 P CB -0.102 31.591 31.700 -0.012 0.000 0.782 89 D N -2.146 118.238 120.400 -0.027 0.000 2.520 89 D HA 0.054 4.694 4.640 -0.000 0.000 0.223 89 D C 0.572 176.759 176.300 -0.187 0.000 1.186 89 D CA -0.121 53.829 54.000 -0.084 0.000 0.821 89 D CB -0.223 40.554 40.800 -0.040 0.000 1.072 89 D HN 0.092 nan 8.370 nan 0.000 0.518 90 L N -0.144 121.017 121.223 -0.102 0.000 2.483 90 L HA 0.273 4.613 4.340 -0.000 0.000 0.276 90 L C 0.722 177.478 176.870 -0.190 0.000 1.213 90 L CA 0.292 55.070 54.840 -0.103 0.000 0.843 90 L CB 0.057 42.121 42.059 0.008 0.000 1.107 90 L HN -0.218 nan 8.230 nan 0.000 0.487 91 H N 0.777 119.899 119.070 0.087 0.000 2.516 91 H HA 0.432 4.988 4.556 -0.000 0.000 0.284 91 H C -0.370 174.992 175.328 0.056 0.000 0.999 91 H CA 0.541 56.649 56.048 0.099 0.000 1.303 91 H CB 0.704 30.563 29.762 0.161 0.000 1.452 91 H HN 0.403 nan 8.280 nan 0.000 0.530 92 V N 1.622 121.624 119.914 0.147 0.000 2.638 92 V HA 0.225 4.345 4.120 -0.000 0.000 0.306 92 V C -1.307 174.809 176.094 0.037 0.000 1.052 92 V CA -0.928 61.391 62.300 0.032 0.000 0.885 92 V CB 2.653 34.460 31.823 -0.026 0.000 0.999 92 V HN 0.021 nan 8.190 nan 0.000 0.424 93 L N 6.149 127.375 121.223 0.006 0.000 2.319 93 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 93 L C -0.607 176.267 176.870 0.006 0.000 1.005 93 L CA 0.009 54.852 54.840 0.006 0.000 0.828 93 L CB 1.199 43.257 42.059 -0.002 0.000 1.227 93 L HN 0.567 nan 8.230 nan 0.000 0.415 94 I N 4.653 125.237 120.570 0.023 0.000 2.304 94 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 94 I C 0.337 176.455 176.117 0.002 0.000 1.018 94 I CA -0.244 61.097 61.300 0.067 0.000 1.260 94 I CB 1.141 39.270 38.000 0.215 0.000 1.390 94 I HN 0.749 nan 8.210 nan 0.000 0.475 95 S N 3.566 119.302 115.700 0.059 0.000 2.766 95 S HA 0.718 5.188 4.470 -0.000 0.000 0.307 95 S C -0.307 174.335 174.600 0.070 0.000 1.121 95 S CA -0.711 57.506 58.200 0.028 0.000 0.980 95 S CB 2.359 65.644 63.200 0.142 0.000 1.159 95 S HN 0.570 nan 8.310 nan 0.000 0.546 96 T N 0.824 115.348 114.554 -0.050 0.000 3.032 96 T HA 0.521 4.871 4.350 -0.000 0.000 0.312 96 T C -2.546 171.900 174.700 -0.423 0.000 1.078 96 T CA -1.460 60.577 62.100 -0.105 0.000 1.028 96 T CB 1.430 70.445 68.868 0.245 0.000 1.091 96 T HN 0.335 nan 8.240 nan 0.000 0.457 97 P HA 0.003 nan 4.420 nan 0.000 0.218 97 P C 1.029 177.987 177.300 -0.569 0.000 1.148 97 P CA 0.981 63.635 63.100 -0.743 0.000 0.822 97 P CB -0.082 31.225 31.700 -0.655 0.000 0.784 98 F N -2.405 117.463 119.950 -0.136 0.000 2.333 98 F HA -0.028 4.499 4.527 -0.000 0.000 0.300 98 F C 1.286 177.187 175.800 0.168 0.000 1.083 98 F CA 1.006 58.945 58.000 -0.102 0.000 1.395 98 F CB -1.293 37.633 39.000 -0.124 0.000 1.056 98 F HN 0.053 nan 8.300 nan 0.000 0.529 99 H N 0.566 119.720 119.070 0.139 0.000 2.538 99 H HA 0.296 4.852 4.556 -0.000 0.000 0.239 99 H C -2.907 172.348 175.328 -0.122 0.000 1.401 99 H CA -2.510 53.585 56.048 0.077 0.000 1.499 99 H CB 0.775 30.670 29.762 0.222 0.000 1.624 99 H HN -0.241 nan 8.280 nan 0.000 0.524 100 P HA 0.235 nan 4.420 nan 0.000 0.287 100 P C -0.288 176.597 177.300 -0.691 0.000 1.294 100 P CA -0.402 62.310 63.100 -0.648 0.000 0.776 100 P CB 1.278 32.520 31.700 -0.763 0.000 0.889 101 A N 4.869 127.461 122.820 -0.379 0.000 2.515 101 A HA 0.112 4.432 4.320 -0.000 0.000 0.263 101 A C -0.448 177.050 177.584 -0.143 0.000 1.096 101 A CA 0.045 51.953 52.037 -0.215 0.000 0.769 101 A CB -0.830 18.125 19.000 -0.074 0.000 1.040 101 A HN 0.436 nan 8.150 nan 0.000 0.505 102 Y N 2.285 122.612 120.300 0.044 0.000 2.539 102 Y HA 0.311 4.861 4.550 -0.000 0.000 0.352 102 Y C 0.341 176.261 175.900 0.033 0.000 1.004 102 Y CA -0.192 57.943 58.100 0.058 0.000 1.278 102 Y CB 0.854 39.331 38.460 0.028 0.000 1.136 102 Y HN 0.357 nan 8.280 nan 0.000 0.528 103 V N 4.683 124.690 119.914 0.155 0.000 2.247 103 V HA 0.139 4.259 4.120 -0.000 0.000 0.262 103 V C 0.459 176.586 176.094 0.056 0.000 1.096 103 V CA -0.753 61.588 62.300 0.069 0.000 0.895 103 V CB -0.439 31.391 31.823 0.012 0.000 1.141 103 V HN 0.866 nan 8.190 nan 0.000 0.478 104 T N 1.256 115.847 114.554 0.063 0.000 2.754 104 T HA 0.490 4.840 4.350 -0.000 0.000 0.286 104 T C 1.562 176.275 174.700 0.022 0.000 0.997 104 T CA 0.137 62.262 62.100 0.041 0.000 0.982 104 T CB 1.590 70.480 68.868 0.036 0.000 1.027 104 T HN 0.491 nan 8.240 nan 0.000 0.529 105 A N -0.124 122.705 122.820 0.014 0.000 1.902 105 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 105 A C 2.320 179.909 177.584 0.008 0.000 1.181 105 A CA 1.924 53.966 52.037 0.009 0.000 0.623 105 A CB -1.188 17.816 19.000 0.006 0.000 0.818 105 A HN 1.051 nan 8.150 nan 0.000 0.443 106 E N -0.178 120.027 120.200 0.009 0.000 2.058 106 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 106 E C 2.243 178.848 176.600 0.009 0.000 0.997 106 E CA 1.340 57.744 56.400 0.007 0.000 0.801 106 E CB -0.155 29.549 29.700 0.006 0.000 0.746 106 E HN 0.609 nan 8.360 nan 0.000 0.450 107 R N 0.085 120.594 120.500 0.014 0.000 2.091 107 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 107 R C 2.545 178.851 176.300 0.010 0.000 1.136 107 R CA 1.624 57.733 56.100 0.014 0.000 0.959 107 R CB -0.375 29.939 30.300 0.023 0.000 0.856 107 R HN 0.314 nan 8.270 nan 0.000 0.437 108 I N 0.907 121.483 120.570 0.009 0.000 2.163 108 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 108 I C 2.697 178.818 176.117 0.006 0.000 1.085 108 I CA 1.222 62.526 61.300 0.006 0.000 1.347 108 I CB -0.268 37.735 38.000 0.004 0.000 1.044 108 I HN 0.084 nan 8.210 nan 0.000 0.408 109 K N 1.428 121.832 120.400 0.006 0.000 2.103 109 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 109 K C 1.991 178.594 176.600 0.004 0.000 1.048 109 K CA 1.653 57.943 56.287 0.005 0.000 0.930 109 K CB -0.107 32.396 32.500 0.004 0.000 0.716 109 K HN 0.307 nan 8.250 nan 0.000 0.444 110 K N -0.144 120.258 120.400 0.004 0.000 2.217 110 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 110 K C 0.617 177.217 176.600 0.000 0.000 1.051 110 K CA 0.606 56.894 56.287 0.001 0.000 0.952 110 K CB 0.062 32.562 32.500 0.000 0.000 0.736 110 K HN 0.053 nan 8.250 nan 0.000 0.453 111 A N 2.088 124.910 122.820 0.002 0.000 2.922 111 A HA 0.088 4.408 4.320 -0.000 0.000 0.298 111 A C 0.726 178.310 177.584 0.001 0.000 1.588 111 A CA -0.163 51.874 52.037 -0.000 0.000 1.288 111 A CB 0.088 19.090 19.000 0.003 0.000 1.130 111 A HN 0.045 nan 8.150 nan 0.000 0.557 112 K N 0.952 121.350 120.400 -0.003 0.000 2.217 112 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 112 K C 0.458 177.063 176.600 0.009 0.000 1.051 112 K CA 0.967 57.256 56.287 0.004 0.000 0.952 112 K CB 0.124 32.626 32.500 0.003 0.000 0.736 112 K HN 0.571 nan 8.250 nan 0.000 0.453 113 N N 0.690 119.379 118.700 -0.018 0.000 2.325 113 N HA -0.013 4.727 4.740 -0.000 0.000 0.182 113 N C 0.207 175.737 175.510 0.033 0.000 1.088 113 N CA -0.113 52.925 53.050 -0.019 0.000 0.879 113 N CB -0.004 38.358 38.487 -0.208 0.000 0.983 113 N HN 0.038 nan 8.380 nan 0.000 0.471 114 L N 1.631 122.866 121.223 0.020 0.000 2.513 114 L HA 0.013 4.353 4.340 -0.000 0.000 0.272 114 L C 0.972 177.888 176.870 0.077 0.000 1.187 114 L CA 0.724 55.592 54.840 0.045 0.000 0.895 114 L CB 0.566 42.638 42.059 0.021 0.000 1.147 114 L HN -0.077 nan 8.230 nan 0.000 0.483 115 K N 4.558 125.021 120.400 0.104 0.000 2.380 115 K HA 0.284 4.604 4.320 -0.000 0.000 0.200 115 K C -0.530 176.094 176.600 0.039 0.000 1.201 115 K CA 0.079 56.425 56.287 0.099 0.000 0.916 115 K CB 0.196 32.807 32.500 0.186 0.000 1.187 115 K HN 0.447 nan 8.250 nan 0.000 0.498 116 L N 1.805 123.013 121.223 -0.025 0.000 2.349 116 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 116 L C -1.441 175.390 176.870 -0.065 0.000 0.996 116 L CA -0.610 54.172 54.840 -0.097 0.000 0.825 116 L CB 1.341 43.180 42.059 -0.366 0.000 1.243 116 L HN -0.046 nan 8.230 nan 0.000 0.412 117 L N 6.366 127.570 121.223 -0.031 0.000 2.298 117 L HA 0.522 4.862 4.340 -0.000 0.000 0.284 117 L C -0.852 176.000 176.870 -0.031 0.000 1.013 117 L CA -0.316 54.505 54.840 -0.031 0.000 0.824 117 L CB 1.372 43.408 42.059 -0.038 0.000 1.221 117 L HN 0.490 nan 8.230 nan 0.000 0.418 118 L N 3.004 124.206 121.223 -0.036 0.000 2.322 118 L HA 0.492 4.832 4.340 -0.000 0.000 0.281 118 L C -0.078 176.788 176.870 -0.006 0.000 1.014 118 L CA -0.410 54.400 54.840 -0.050 0.000 0.815 118 L CB 2.027 44.032 42.059 -0.091 0.000 1.247 118 L HN 0.497 nan 8.230 nan 0.000 0.421 119 T N 2.562 117.106 114.554 -0.017 0.000 2.738 119 T HA 0.381 4.731 4.350 -0.000 0.000 0.298 119 T C 0.331 175.001 174.700 -0.050 0.000 0.962 119 T CA -0.407 61.697 62.100 0.008 0.000 0.972 119 T CB 1.175 70.063 68.868 0.034 0.000 0.928 119 T HN 0.632 nan 8.240 nan 0.000 0.474 120 A N 3.596 126.385 122.820 -0.053 0.000 2.666 120 A HA 0.713 5.033 4.320 -0.000 0.000 0.312 120 A C 1.049 178.290 177.584 -0.572 0.000 1.471 120 A CA 0.215 52.164 52.037 -0.147 0.000 1.134 120 A CB -0.910 18.104 19.000 0.024 0.000 1.129 120 A HN 1.252 nan 8.150 nan 0.000 0.539 121 G N 0.649 109.186 108.800 -0.439 0.000 2.270 121 G HA2 0.194 4.154 3.960 -0.000 0.000 0.268 121 G HA3 0.194 4.154 3.960 -0.000 0.000 0.268 121 G C -1.098 173.737 174.900 -0.107 0.000 1.312 121 G CA -0.533 44.349 45.100 -0.363 0.000 1.050 121 G HN 0.785 nan 8.290 nan 0.000 0.474 122 I N 1.168 121.708 120.570 -0.049 0.000 2.498 122 I HA 0.631 4.801 4.170 -0.000 0.000 0.290 122 I C 0.448 176.597 176.117 0.053 0.000 1.032 122 I CA 0.115 61.434 61.300 0.031 0.000 1.073 122 I CB 1.863 39.910 38.000 0.078 0.000 1.251 122 I HN 2.094 nan 8.210 nan 0.000 0.426 123 G N 3.263 112.133 108.800 0.117 0.000 3.434 123 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 123 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 123 G C -0.266 174.755 174.900 0.201 0.000 1.099 123 G CA -0.597 44.622 45.100 0.200 0.000 0.931 123 G HN 0.573 nan 8.290 nan 0.000 0.520 124 S N 1.164 116.953 115.700 0.149 0.000 2.663 124 S HA 0.142 4.612 4.470 -0.000 0.000 0.243 124 S C 1.732 176.239 174.600 -0.154 0.000 1.009 124 S CA 0.347 58.503 58.200 -0.074 0.000 0.988 124 S CB 0.193 63.278 63.200 -0.191 0.000 0.896 124 S HN 0.871 nan 8.310 nan 0.000 0.502 125 D N 1.936 122.408 120.400 0.120 0.000 2.311 125 D HA -0.226 4.414 4.640 -0.000 0.000 0.212 125 D C 1.380 177.756 176.300 0.128 0.000 0.972 125 D CA 0.936 55.032 54.000 0.160 0.000 0.887 125 D CB -0.512 40.439 40.800 0.251 0.000 0.915 125 D HN 0.674 nan 8.370 nan 0.000 0.497 126 H N 0.416 119.547 119.070 0.101 0.000 2.559 126 H HA 0.072 4.628 4.556 -0.000 0.000 0.273 126 H C 0.736 176.134 175.328 0.117 0.000 1.000 126 H CA -0.068 56.064 56.048 0.139 0.000 1.195 126 H CB -0.080 29.661 29.762 -0.035 0.000 1.368 126 H HN 0.114 nan 8.280 nan 0.000 0.592 127 I N 2.360 122.755 120.570 -0.292 0.000 2.428 127 I HA 0.045 4.215 4.170 -0.000 0.000 0.296 127 I C 0.560 176.642 176.117 -0.058 0.000 0.985 127 I CA -1.007 60.187 61.300 -0.177 0.000 1.260 127 I CB 1.337 39.186 38.000 -0.252 0.000 1.389 127 I HN 0.015 nan 8.210 nan 0.000 0.484 128 D N 6.088 126.479 120.400 -0.016 0.000 2.385 128 D HA 0.067 4.707 4.640 -0.000 0.000 0.260 128 D C 1.065 177.352 176.300 -0.023 0.000 1.326 128 D CA 0.153 54.151 54.000 -0.003 0.000 1.023 128 D CB 0.550 41.355 40.800 0.007 0.000 1.083 128 D HN 0.424 nan 8.370 nan 0.000 0.517 129 L N 2.625 123.831 121.223 -0.028 0.000 2.156 129 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 129 L C 2.290 179.143 176.870 -0.027 0.000 1.095 129 L CA 0.563 55.370 54.840 -0.055 0.000 0.770 129 L CB -0.202 41.802 42.059 -0.092 0.000 0.914 129 L HN 0.334 nan 8.230 nan 0.000 0.439 130 Q N 0.603 120.401 119.800 -0.003 0.000 2.079 130 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 130 Q C 2.229 178.229 176.000 -0.001 0.000 0.974 130 Q CA 1.992 57.797 55.803 0.004 0.000 0.840 130 Q CB -0.292 28.456 28.738 0.016 0.000 0.898 130 Q HN 0.407 nan 8.270 nan 0.000 0.430 131 A N 0.078 122.897 122.820 -0.001 0.000 1.972 131 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 131 A C 2.214 179.795 177.584 -0.006 0.000 1.169 131 A CA 1.828 53.864 52.037 -0.002 0.000 0.635 131 A CB -0.901 18.099 19.000 0.001 0.000 0.810 131 A HN 0.464 nan 8.150 nan 0.000 0.446 132 A N -0.214 122.597 122.820 -0.014 0.000 1.897 132 A HA 0.267 4.587 4.320 -0.000 0.000 0.215 132 A C 2.494 180.069 177.584 -0.014 0.000 1.181 132 A CA 1.721 53.748 52.037 -0.017 0.000 0.620 132 A CB -0.974 18.006 19.000 -0.034 0.000 0.821 132 A HN 0.987 nan 8.150 nan 0.000 0.443 133 A N 0.163 122.973 122.820 -0.016 0.000 1.883 133 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 133 A C 2.506 180.086 177.584 -0.008 0.000 1.186 133 A CA 2.308 54.337 52.037 -0.013 0.000 0.624 133 A CB -1.092 17.901 19.000 -0.012 0.000 0.822 133 A HN 1.094 nan 8.150 nan 0.000 0.444 134 A N -0.453 122.365 122.820 -0.004 0.000 1.972 134 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 134 A C 2.279 179.863 177.584 -0.000 0.000 1.169 134 A CA 1.827 53.863 52.037 -0.002 0.000 0.635 134 A CB -0.781 18.219 19.000 0.001 0.000 0.810 134 A HN 1.154 nan 8.150 nan 0.000 0.446 135 A N -1.498 121.322 122.820 0.000 0.000 2.235 135 A HA 0.405 4.725 4.320 -0.000 0.000 0.208 135 A C 1.720 179.307 177.584 0.006 0.000 1.172 135 A CA 1.111 53.150 52.037 0.004 0.000 0.786 135 A CB -1.123 17.880 19.000 0.005 0.000 0.804 135 A HN 1.886 nan 8.150 nan 0.000 0.479 136 G N -0.758 108.043 108.800 0.001 0.000 2.198 136 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 136 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 136 G C 0.062 174.967 174.900 0.008 0.000 1.025 136 G CA 0.478 45.578 45.100 0.001 0.000 0.769 136 G HN 0.472 nan 8.290 nan 0.000 0.507 137 L N -0.110 121.118 121.223 0.008 0.000 2.439 137 L HA 0.537 4.877 4.340 -0.000 0.000 0.261 137 L C 0.807 177.688 176.870 0.017 0.000 1.153 137 L CA -0.405 54.444 54.840 0.015 0.000 0.808 137 L CB 1.055 43.118 42.059 0.007 0.000 1.126 137 L HN 0.109 nan 8.230 nan 0.000 0.460 138 T N 1.479 116.055 114.554 0.036 0.000 2.767 138 T HA 0.477 4.827 4.350 -0.000 0.000 0.284 138 T C -0.323 174.425 174.700 0.079 0.000 0.973 138 T CA -0.375 61.770 62.100 0.075 0.000 0.996 138 T CB 1.514 70.445 68.868 0.104 0.000 0.927 138 T HN 0.211 nan 8.240 nan 0.000 0.456 139 V N 2.680 122.648 119.914 0.090 0.000 2.487 139 V HA 0.866 4.986 4.120 -0.000 0.000 0.298 139 V C -0.082 176.060 176.094 0.079 0.000 1.028 139 V CA -0.748 61.575 62.300 0.038 0.000 0.860 139 V CB 1.288 33.080 31.823 -0.051 0.000 0.991 139 V HN 1.089 nan 8.190 nan 0.000 0.427 140 A N 4.517 127.360 122.820 0.038 0.000 2.539 140 A HA 0.983 5.303 4.320 -0.000 0.000 0.296 140 A C -0.765 176.773 177.584 -0.077 0.000 1.073 140 A CA -0.642 51.386 52.037 -0.014 0.000 0.700 140 A CB 2.020 21.011 19.000 -0.015 0.000 1.296 140 A HN 0.931 nan 8.150 nan 0.000 0.405 141 E N -0.261 119.887 120.200 -0.087 0.000 2.446 141 E HA 0.600 4.950 4.350 -0.000 0.000 0.276 141 E C -1.500 175.054 176.600 -0.076 0.000 0.969 141 E CA -1.031 55.327 56.400 -0.069 0.000 0.800 141 E CB 1.733 31.420 29.700 -0.021 0.000 1.341 141 E HN 0.270 nan 8.360 nan 0.000 0.460 142 V N 1.960 121.845 119.914 -0.050 0.000 2.162 142 V HA 0.126 4.246 4.120 -0.000 0.000 0.255 142 V C 0.015 176.118 176.094 0.013 0.000 1.304 142 V CA -0.356 61.927 62.300 -0.027 0.000 1.198 142 V CB -0.355 31.476 31.823 0.014 0.000 1.333 142 V HN 0.659 nan 8.190 nan 0.000 0.493 143 T N 3.221 117.780 114.554 0.007 0.000 2.908 143 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 143 T C 1.436 176.156 174.700 0.034 0.000 1.019 143 T CA 1.359 63.478 62.100 0.032 0.000 1.152 143 T CB 0.693 69.580 68.868 0.032 0.000 0.966 143 T HN 1.167 nan 8.240 nan 0.000 0.540 144 G N 2.395 111.222 108.800 0.046 0.000 2.225 144 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 144 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 144 G C 1.348 176.279 174.900 0.051 0.000 0.988 144 G CA 0.943 46.068 45.100 0.041 0.000 0.625 144 G HN 0.995 nan 8.290 nan 0.000 0.527 145 S N 0.813 116.557 115.700 0.073 0.000 2.402 145 S HA -0.032 4.438 4.470 -0.000 0.000 0.229 145 S C 1.437 176.108 174.600 0.119 0.000 1.021 145 S CA 1.747 60.006 58.200 0.098 0.000 0.974 145 S CB -0.196 63.095 63.200 0.153 0.000 0.800 145 S HN 1.350 nan 8.310 nan 0.000 0.484 146 N N 0.697 119.479 118.700 0.138 0.000 2.305 146 N HA 0.126 4.866 4.740 -0.000 0.000 0.248 146 N C 0.928 176.499 175.510 0.101 0.000 1.290 146 N CA 0.285 53.418 53.050 0.138 0.000 0.873 146 N CB -0.080 38.548 38.487 0.236 0.000 1.261 146 N HN 0.376 nan 8.380 nan 0.000 0.504 147 V N -2.578 117.380 119.914 0.073 0.000 2.427 147 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 147 V C 1.786 177.900 176.094 0.033 0.000 1.051 147 V CA 1.110 63.441 62.300 0.052 0.000 1.048 147 V CB -0.851 30.995 31.823 0.039 0.000 0.666 147 V HN 0.063 nan 8.190 nan 0.000 0.456 148 V N 1.535 121.464 119.914 0.025 0.000 2.343 148 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 148 V C 2.907 179.007 176.094 0.011 0.000 1.051 148 V CA 2.484 64.791 62.300 0.012 0.000 1.036 148 V CB -0.853 30.973 31.823 0.004 0.000 0.654 148 V HN 0.685 nan 8.190 nan 0.000 0.451 149 S N 0.110 115.823 115.700 0.022 0.000 2.359 149 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 149 S C 1.985 176.598 174.600 0.022 0.000 1.035 149 S CA 1.646 59.857 58.200 0.019 0.000 1.018 149 S CB -0.391 62.831 63.200 0.036 0.000 0.876 149 S HN 0.413 nan 8.310 nan 0.000 0.448 150 V N 2.094 122.034 119.914 0.043 0.000 2.427 150 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 150 V C 2.701 178.796 176.094 0.001 0.000 1.051 150 V CA 1.456 63.779 62.300 0.039 0.000 1.048 150 V CB -1.327 30.535 31.823 0.065 0.000 0.666 150 V HN 0.544 nan 8.190 nan 0.000 0.456 151 A N -0.056 122.762 122.820 -0.003 0.000 1.902 151 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 151 A C 2.179 179.742 177.584 -0.035 0.000 1.181 151 A CA 1.859 53.883 52.037 -0.022 0.000 0.623 151 A CB -0.446 18.544 19.000 -0.016 0.000 0.818 151 A HN 0.621 nan 8.150 nan 0.000 0.443 152 E N -0.595 119.589 120.200 -0.026 0.000 2.058 152 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 152 E C 1.684 178.251 176.600 -0.055 0.000 0.997 152 E CA 1.440 57.819 56.400 -0.035 0.000 0.801 152 E CB -0.233 29.450 29.700 -0.028 0.000 0.746 152 E HN 0.719 nan 8.360 nan 0.000 0.450 153 D N 0.259 120.630 120.400 -0.048 0.000 2.178 153 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 153 D C 1.727 177.975 176.300 -0.086 0.000 0.974 153 D CA 0.884 54.848 54.000 -0.061 0.000 0.841 153 D CB 0.225 41.006 40.800 -0.032 0.000 0.953 153 D HN 0.144 nan 8.370 nan 0.000 0.478 154 E N -0.152 119.997 120.200 -0.084 0.000 2.028 154 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 154 E C 2.180 178.698 176.600 -0.137 0.000 0.988 154 E CA 0.471 56.804 56.400 -0.112 0.000 0.799 154 E CB -0.120 29.522 29.700 -0.097 0.000 0.755 154 E HN 0.288 nan 8.360 nan 0.000 0.447 155 L N 0.945 122.088 121.223 -0.133 0.000 2.079 155 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 155 L C 2.558 179.316 176.870 -0.188 0.000 1.081 155 L CA 1.090 55.820 54.840 -0.184 0.000 0.752 155 L CB -0.133 41.821 42.059 -0.175 0.000 0.896 155 L HN 0.270 nan 8.230 nan 0.000 0.433 156 M N -0.544 118.969 119.600 -0.145 0.000 2.082 156 M HA -0.318 4.162 4.480 -0.000 0.000 0.258 156 M C 2.356 178.559 176.300 -0.163 0.000 1.069 156 M CA 2.003 57.214 55.300 -0.148 0.000 1.102 156 M CB -0.171 32.347 32.600 -0.136 0.000 1.336 156 M HN 0.178 nan 8.290 nan 0.000 0.404 157 R N 0.015 120.421 120.500 -0.157 0.000 2.090 157 R HA -0.005 4.335 4.340 -0.000 0.000 0.228 157 R C 2.128 178.333 176.300 -0.159 0.000 1.110 157 R CA 1.510 57.515 56.100 -0.158 0.000 0.973 157 R CB -0.422 29.774 30.300 -0.172 0.000 0.869 157 R HN 0.467 nan 8.270 nan 0.000 0.440 158 I N 0.894 121.361 120.570 -0.173 0.000 2.163 158 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 158 I C 2.152 178.180 176.117 -0.149 0.000 1.085 158 I CA 1.492 62.689 61.300 -0.172 0.000 1.347 158 I CB -0.226 37.653 38.000 -0.201 0.000 1.044 158 I HN 0.165 nan 8.210 nan 0.000 0.408 159 L N 0.088 121.215 121.223 -0.160 0.000 2.056 159 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 159 L C 2.496 179.324 176.870 -0.070 0.000 1.078 159 L CA 1.265 56.035 54.840 -0.118 0.000 0.749 159 L CB -0.358 41.625 42.059 -0.126 0.000 0.901 159 L HN 0.197 nan 8.230 nan 0.000 0.433 160 I N -0.299 120.218 120.570 -0.089 0.000 2.163 160 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 160 I C 2.366 178.493 176.117 0.016 0.000 1.085 160 I CA 1.554 62.837 61.300 -0.029 0.000 1.347 160 I CB -0.145 37.813 38.000 -0.070 0.000 1.044 160 I HN 0.226 nan 8.210 nan 0.000 0.408 161 L N -1.007 120.192 121.223 -0.039 0.000 2.023 161 L HA -0.201 4.139 4.340 -0.000 0.000 0.205 161 L C 2.562 179.415 176.870 -0.028 0.000 1.073 161 L CA 0.961 55.776 54.840 -0.041 0.000 0.745 161 L CB -0.466 41.543 42.059 -0.084 0.000 0.900 161 L HN 0.267 nan 8.230 nan 0.000 0.435 162 M N 0.213 119.791 119.600 -0.037 0.000 2.086 162 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 162 M C 2.109 178.430 176.300 0.034 0.000 1.067 162 M CA 1.866 57.162 55.300 -0.007 0.000 1.116 162 M CB -0.261 32.325 32.600 -0.025 0.000 1.348 162 M HN -0.006 nan 8.290 nan 0.000 0.407 163 R N -0.620 119.893 120.500 0.022 0.000 2.317 163 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 163 R C 0.233 176.549 176.300 0.026 0.000 0.914 163 R CA 0.353 56.470 56.100 0.028 0.000 1.060 163 R CB -0.425 29.897 30.300 0.037 0.000 1.015 163 R HN 0.430 nan 8.270 nan 0.000 0.498 164 N N -0.034 118.684 118.700 0.030 0.000 2.780 164 N HA -0.224 4.516 4.740 -0.000 0.000 0.247 164 N C 0.143 175.681 175.510 0.046 0.000 1.076 164 N CA 0.176 53.233 53.050 0.011 0.000 0.688 164 N CB -1.487 36.963 38.487 -0.062 0.000 0.957 164 N HN 0.332 nan 8.380 nan 0.000 0.551 165 F N -0.083 119.847 119.950 -0.034 0.000 2.113 165 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 165 F C 1.844 177.656 175.800 0.019 0.000 1.103 165 F CA 1.724 59.714 58.000 -0.015 0.000 1.248 165 F CB -0.236 38.749 39.000 -0.024 0.000 0.999 165 F HN 0.058 nan 8.300 nan 0.000 0.475 166 V N 1.634 121.542 119.914 -0.010 0.000 2.287 166 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 166 V C -0.332 175.697 176.094 -0.109 0.000 1.053 166 V CA 2.390 64.648 62.300 -0.070 0.000 1.027 166 V CB -1.996 29.882 31.823 0.092 0.000 0.646 166 V HN 0.240 nan 8.190 nan 0.000 0.447 167 P HA -0.113 nan 4.420 nan 0.000 0.218 167 P C 1.694 178.909 177.300 -0.142 0.000 1.148 167 P CA 1.810 64.867 63.100 -0.072 0.000 0.822 167 P CB -0.313 31.364 31.700 -0.039 0.000 0.784 168 G N -1.163 107.506 108.800 -0.219 0.000 2.404 168 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 168 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 168 G C 1.571 176.297 174.900 -0.289 0.000 1.174 168 G CA 0.541 45.479 45.100 -0.270 0.000 0.780 168 G HN 0.208 nan 8.290 nan 0.000 0.537 169 Y N 2.257 122.224 120.300 -0.555 0.000 2.128 169 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 169 Y C 2.674 178.454 175.900 -0.199 0.000 1.154 169 Y CA 2.086 59.931 58.100 -0.425 0.000 1.149 169 Y CB -0.214 37.918 38.460 -0.547 0.000 0.976 169 Y HN 0.140 nan 8.280 nan 0.000 0.505 170 N N 0.269 118.870 118.700 -0.166 0.000 2.166 170 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 170 N C 1.767 177.172 175.510 -0.176 0.000 1.019 170 N CA 1.671 54.626 53.050 -0.157 0.000 0.856 170 N CB -0.493 37.977 38.487 -0.029 0.000 0.993 170 N HN 0.590 nan 8.380 nan 0.000 0.426 171 Q N 0.259 119.965 119.800 -0.157 0.000 2.124 171 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 171 Q C 2.050 177.976 176.000 -0.124 0.000 0.977 171 Q CA 0.934 56.664 55.803 -0.120 0.000 0.850 171 Q CB -0.022 28.637 28.738 -0.132 0.000 0.901 171 Q HN 0.163 nan 8.270 nan 0.000 0.429 172 V N 0.730 120.528 119.914 -0.194 0.000 2.295 172 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 172 V C 2.398 178.386 176.094 -0.176 0.000 1.049 172 V CA 1.864 64.068 62.300 -0.160 0.000 1.024 172 V CB -0.558 31.147 31.823 -0.197 0.000 0.648 172 V HN 0.405 nan 8.190 nan 0.000 0.447 173 V N -1.525 118.206 119.914 -0.306 0.000 2.515 173 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 173 V C 1.957 177.982 176.094 -0.115 0.000 1.058 173 V CA 1.656 63.815 62.300 -0.235 0.000 1.064 173 V CB -0.886 30.744 31.823 -0.323 0.000 0.675 173 V HN 0.503 nan 8.190 nan 0.000 0.461 174 K N 1.110 121.451 120.400 -0.099 0.000 2.551 174 K HA 0.283 4.603 4.320 -0.000 0.000 0.192 174 K C 1.492 178.080 176.600 -0.021 0.000 1.027 174 K CA 0.620 56.880 56.287 -0.046 0.000 1.059 174 K CB -0.202 32.276 32.500 -0.037 0.000 0.831 174 K HN 0.812 nan 8.250 nan 0.000 0.508 175 G N 2.011 110.801 108.800 -0.017 0.000 2.155 175 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.257 175 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.257 175 G C -0.196 174.733 174.900 0.048 0.000 0.983 175 G CA 0.373 45.482 45.100 0.015 0.000 0.676 175 G HN 0.445 nan 8.290 nan 0.000 0.528 176 E N -1.330 118.897 120.200 0.045 0.000 2.312 176 E HA 0.565 4.915 4.350 -0.000 0.000 0.259 176 E C -0.284 176.425 176.600 0.182 0.000 1.122 176 E CA -0.735 55.714 56.400 0.081 0.000 0.922 176 E CB 1.049 30.766 29.700 0.029 0.000 1.109 176 E HN 0.292 nan 8.360 nan 0.000 0.442 177 W N 2.424 123.709 121.300 -0.025 0.000 2.916 177 W HA 0.216 4.876 4.660 -0.000 0.000 0.317 177 W C -1.844 174.667 176.519 -0.013 0.000 1.047 177 W CA -0.327 57.006 57.345 -0.020 0.000 1.234 177 W CB 0.659 30.109 29.460 -0.017 0.000 1.143 177 W HN 0.630 nan 8.180 nan 0.000 0.372 178 N N 4.790 123.403 118.700 -0.145 0.000 2.653 178 N HA 0.155 4.895 4.740 -0.000 0.000 0.261 178 N C 0.311 175.704 175.510 -0.196 0.000 1.216 178 N CA -0.246 52.763 53.050 -0.068 0.000 0.784 178 N CB 1.389 39.870 38.487 -0.011 0.000 1.327 178 N HN 0.027 nan 8.380 nan 0.000 0.539 179 V N 2.402 122.172 119.914 -0.239 0.000 2.282 179 V HA -0.257 3.863 4.120 -0.000 0.000 0.249 179 V C 2.522 178.562 176.094 -0.090 0.000 1.057 179 V CA 2.584 64.753 62.300 -0.218 0.000 1.032 179 V CB -0.687 31.060 31.823 -0.126 0.000 0.645 179 V HN 0.767 nan 8.190 nan 0.000 0.447 180 A N 0.401 123.206 122.820 -0.024 0.000 1.972 180 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 180 A C 2.377 180.007 177.584 0.077 0.000 1.169 180 A CA 1.689 53.740 52.037 0.023 0.000 0.635 180 A CB -1.085 17.929 19.000 0.024 0.000 0.810 180 A HN 0.559 nan 8.150 nan 0.000 0.446 181 G N -0.369 108.457 108.800 0.043 0.000 2.470 181 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.220 181 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.220 181 G C 1.361 176.371 174.900 0.184 0.000 1.121 181 G CA 1.187 46.346 45.100 0.097 0.000 0.766 181 G HN 0.521 nan 8.290 nan 0.000 0.553 182 I N 0.297 120.897 120.570 0.050 0.000 2.729 182 I HA 0.163 4.333 4.170 -0.000 0.000 0.256 182 I C 3.002 179.071 176.117 -0.080 0.000 1.115 182 I CA 0.711 61.993 61.300 -0.031 0.000 1.446 182 I CB -0.018 37.915 38.000 -0.113 0.000 1.176 182 I HN 0.116 nan 8.210 nan 0.000 0.446 183 A N 0.922 123.709 122.820 -0.054 0.000 2.015 183 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 183 A C 2.255 179.760 177.584 -0.132 0.000 1.163 183 A CA 1.223 53.198 52.037 -0.104 0.000 0.646 183 A CB -1.071 17.885 19.000 -0.073 0.000 0.806 183 A HN 0.659 nan 8.150 nan 0.000 0.448 184 Y N -1.005 119.242 120.300 -0.088 0.000 2.365 184 Y HA -0.079 4.471 4.550 -0.000 0.000 0.287 184 Y C 1.774 177.630 175.900 -0.073 0.000 1.162 184 Y CA 1.691 59.747 58.100 -0.073 0.000 1.260 184 Y CB -0.167 38.273 38.460 -0.033 0.000 0.976 184 Y HN 0.222 nan 8.280 nan 0.000 0.548 185 R N 0.617 120.624 120.500 -0.822 0.000 2.566 185 R HA 0.508 4.848 4.340 -0.000 0.000 0.388 185 R C -0.611 175.518 176.300 -0.285 0.000 0.989 185 R CA 0.298 56.000 56.100 -0.663 0.000 1.164 185 R CB 0.425 30.014 30.300 -1.186 0.000 1.459 185 R HN 0.258 nan 8.270 nan 0.000 0.553 186 A N 0.995 123.602 122.820 -0.354 0.000 2.260 186 A HA 0.526 4.846 4.320 -0.000 0.000 0.308 186 A C -1.385 175.967 177.584 -0.388 0.000 1.254 186 A CA -0.193 51.709 52.037 -0.224 0.000 0.874 186 A CB 0.154 19.048 19.000 -0.176 0.000 1.153 186 A HN 0.281 nan 8.150 nan 0.000 0.527 187 Y N 0.614 120.872 120.300 -0.071 0.000 2.562 187 Y HA 0.376 4.926 4.550 -0.000 0.000 0.343 187 Y C 0.040 175.925 175.900 -0.026 0.000 1.025 187 Y CA -0.819 57.254 58.100 -0.045 0.000 1.082 187 Y CB 1.516 39.947 38.460 -0.049 0.000 1.264 187 Y HN 0.614 nan 8.280 nan 0.000 0.478 188 D N 1.075 121.561 120.400 0.144 0.000 2.372 188 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 188 D C 0.782 177.144 176.300 0.104 0.000 1.121 188 D CA -0.104 53.958 54.000 0.103 0.000 0.898 188 D CB 1.331 42.184 40.800 0.087 0.000 1.202 188 D HN 0.428 nan 8.370 nan 0.000 0.428 189 L N 1.500 122.773 121.223 0.082 0.000 2.093 189 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 189 L C 0.887 177.800 176.870 0.071 0.000 1.085 189 L CA 1.323 56.189 54.840 0.044 0.000 0.755 189 L CB -0.529 41.521 42.059 -0.015 0.000 0.904 189 L HN 0.532 nan 8.230 nan 0.000 0.435 190 E N -0.598 119.672 120.200 0.117 0.000 2.708 190 E HA 0.076 4.426 4.350 -0.000 0.000 0.260 190 E C 1.164 177.802 176.600 0.064 0.000 0.937 190 E CA 0.777 57.238 56.400 0.101 0.000 0.953 190 E CB -0.127 29.627 29.700 0.090 0.000 0.915 190 E HN 0.537 nan 8.360 nan 0.000 0.487 191 G N 3.800 112.630 108.800 0.050 0.000 2.212 191 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.266 191 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.266 191 G C 0.041 174.947 174.900 0.009 0.000 0.978 191 G CA 0.524 45.642 45.100 0.030 0.000 0.632 191 G HN 0.495 nan 8.290 nan 0.000 0.537 192 K N 0.914 121.315 120.400 0.000 0.000 2.126 192 K HA 0.521 4.841 4.320 -0.000 0.000 0.257 192 K C 0.219 176.801 176.600 -0.030 0.000 1.007 192 K CA -0.113 56.155 56.287 -0.032 0.000 0.928 192 K CB 0.670 33.139 32.500 -0.052 0.000 1.013 192 K HN 0.104 nan 8.250 nan 0.000 0.473 193 T N 2.566 117.094 114.554 -0.044 0.000 2.728 193 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 193 T C 0.314 174.990 174.700 -0.040 0.000 0.940 193 T CA -0.373 61.708 62.100 -0.033 0.000 1.013 193 T CB -0.004 68.845 68.868 -0.032 0.000 0.912 193 T HN 0.267 nan 8.240 nan 0.000 0.484 194 I N 2.591 123.145 120.570 -0.026 0.000 2.436 194 I HA 0.554 4.724 4.170 -0.000 0.000 0.289 194 I C 0.643 176.758 176.117 -0.002 0.000 1.010 194 I CA -0.806 60.474 61.300 -0.033 0.000 1.098 194 I CB 1.976 39.946 38.000 -0.049 0.000 1.266 194 I HN 0.656 nan 8.210 nan 0.000 0.434 195 G N 2.693 111.492 108.800 -0.002 0.000 2.417 195 G HA2 0.486 4.446 3.960 -0.000 0.000 0.320 195 G HA3 0.486 4.446 3.960 -0.000 0.000 0.320 195 G C -0.761 174.162 174.900 0.039 0.000 1.204 195 G CA -0.359 44.762 45.100 0.035 0.000 0.923 195 G HN 0.430 nan 8.290 nan 0.000 0.466 196 T N 1.268 115.874 114.554 0.087 0.000 2.744 196 T HA 0.362 4.712 4.350 -0.000 0.000 0.291 196 T C 0.038 174.825 174.700 0.145 0.000 0.957 196 T CA -0.375 61.774 62.100 0.082 0.000 1.002 196 T CB 0.741 69.644 68.868 0.059 0.000 0.919 196 T HN 0.260 nan 8.240 nan 0.000 0.468 197 V N 5.335 125.321 119.914 0.120 0.000 2.299 197 V HA 0.662 4.782 4.120 -0.000 0.000 0.255 197 V C 0.881 177.073 176.094 0.164 0.000 1.100 197 V CA 0.165 62.581 62.300 0.195 0.000 0.938 197 V CB -0.384 31.568 31.823 0.216 0.000 1.139 197 V HN 1.257 nan 8.190 nan 0.000 0.490 198 G N 3.718 112.622 108.800 0.174 0.000 3.187 198 G HA2 0.397 4.357 3.960 -0.000 0.000 0.682 198 G HA3 0.397 4.357 3.960 -0.000 0.000 0.682 198 G C -0.426 174.534 174.900 0.099 0.000 1.266 198 G CA -0.295 44.872 45.100 0.112 0.000 0.902 198 G HN 1.333 nan 8.290 nan 0.000 0.589 199 A N 1.540 124.413 122.820 0.088 0.000 3.129 199 A HA 0.824 5.144 4.320 -0.000 0.000 0.282 199 A C 1.170 178.744 177.584 -0.018 0.000 0.948 199 A CA 1.018 53.060 52.037 0.008 0.000 1.027 199 A CB -0.061 18.900 19.000 -0.065 0.000 1.123 199 A HN 2.107 nan 8.150 nan 0.000 0.485 200 G N 0.023 108.822 108.800 -0.001 0.000 2.624 200 G HA2 0.238 4.198 3.960 -0.000 0.000 0.217 200 G HA3 0.238 4.198 3.960 -0.000 0.000 0.217 200 G C 0.963 175.855 174.900 -0.014 0.000 1.506 200 G CA -0.260 44.838 45.100 -0.004 0.000 1.072 200 G HN 0.464 nan 8.290 nan 0.000 0.568 201 R N -1.015 119.485 120.500 -0.000 0.000 2.070 201 R HA 0.002 4.342 4.340 -0.000 0.000 0.233 201 R C 2.640 178.937 176.300 -0.005 0.000 1.137 201 R CA 1.281 57.381 56.100 -0.001 0.000 0.945 201 R CB -0.448 29.861 30.300 0.014 0.000 0.845 201 R HN 0.455 nan 8.270 nan 0.000 0.430 202 I N -0.022 120.550 120.570 0.003 0.000 2.179 202 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 202 I C 2.583 178.690 176.117 -0.017 0.000 1.088 202 I CA 1.476 62.776 61.300 -0.000 0.000 1.357 202 I CB -0.822 37.184 38.000 0.010 0.000 1.051 202 I HN 0.337 nan 8.210 nan 0.000 0.409 203 G N 1.202 109.990 108.800 -0.020 0.000 2.469 203 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 203 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 203 G C 1.744 176.607 174.900 -0.063 0.000 1.150 203 G CA 0.799 45.880 45.100 -0.032 0.000 0.763 203 G HN 0.351 nan 8.290 nan 0.000 0.561 204 K N -0.159 120.198 120.400 -0.072 0.000 2.057 204 K HA 0.127 4.447 4.320 -0.000 0.000 0.206 204 K C 2.501 179.066 176.600 -0.058 0.000 1.050 204 K CA 0.698 56.932 56.287 -0.090 0.000 0.935 204 K CB -0.265 32.186 32.500 -0.082 0.000 0.715 204 K HN 0.265 nan 8.250 nan 0.000 0.439 205 L N 0.801 122.001 121.223 -0.038 0.000 2.141 205 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 205 L C 2.405 179.261 176.870 -0.024 0.000 1.094 205 L CA 0.336 55.161 54.840 -0.024 0.000 0.763 205 L CB -0.363 41.688 42.059 -0.014 0.000 0.908 205 L HN 0.167 nan 8.230 nan 0.000 0.437 206 L N 0.062 121.266 121.223 -0.033 0.000 2.046 206 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 206 L C 2.302 179.150 176.870 -0.037 0.000 1.077 206 L CA 1.722 56.538 54.840 -0.040 0.000 0.747 206 L CB -0.346 41.684 42.059 -0.049 0.000 0.896 206 L HN 0.088 nan 8.230 nan 0.000 0.432 207 L N -0.902 120.296 121.223 -0.042 0.000 2.131 207 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 207 L C 2.630 179.492 176.870 -0.012 0.000 1.092 207 L CA 1.289 56.108 54.840 -0.035 0.000 0.759 207 L CB -0.575 41.443 42.059 -0.068 0.000 0.903 207 L HN 0.409 nan 8.230 nan 0.000 0.435 208 Q N -0.404 119.388 119.800 -0.014 0.000 2.172 208 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 208 Q C 2.316 178.336 176.000 0.034 0.000 0.964 208 Q CA 1.091 56.896 55.803 0.003 0.000 0.855 208 Q CB 0.055 28.787 28.738 -0.009 0.000 0.918 208 Q HN 0.444 nan 8.270 nan 0.000 0.444 209 R N -0.007 120.517 120.500 0.040 0.000 2.119 209 R HA 0.023 4.363 4.340 -0.000 0.000 0.222 209 R C 2.091 178.500 176.300 0.181 0.000 1.088 209 R CA 0.576 56.731 56.100 0.093 0.000 0.984 209 R CB 0.006 30.342 30.300 0.059 0.000 0.884 209 R HN 0.180 nan 8.270 nan 0.000 0.447 210 L N 0.716 121.992 121.223 0.088 0.000 2.201 210 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 210 L C 2.306 179.305 176.870 0.215 0.000 1.105 210 L CA 0.889 55.787 54.840 0.098 0.000 0.775 210 L CB -0.293 41.752 42.059 -0.023 0.000 0.913 210 L HN 0.051 nan 8.230 nan 0.000 0.440 211 K N 1.373 121.853 120.400 0.135 0.000 2.030 211 K HA -0.203 4.117 4.320 -0.000 0.000 0.222 211 K C -0.784 175.884 176.600 0.114 0.000 1.056 211 K CA 2.110 58.456 56.287 0.100 0.000 0.957 211 K CB -1.436 31.096 32.500 0.053 0.000 0.727 211 K HN 0.155 nan 8.250 nan 0.000 0.452 212 P HA 0.006 nan 4.420 nan 0.000 0.242 212 P C 0.297 177.544 177.300 -0.090 0.000 1.197 212 P CA 0.713 63.795 63.100 -0.029 0.000 0.765 212 P CB -0.039 31.583 31.700 -0.130 0.000 0.936 213 F N -0.094 119.850 119.950 -0.010 0.000 2.710 213 F HA 0.297 4.824 4.527 -0.000 0.000 0.298 213 F C 1.720 177.518 175.800 -0.004 0.000 1.137 213 F CA 0.785 58.779 58.000 -0.009 0.000 1.444 213 F CB -0.754 38.239 39.000 -0.012 0.000 1.111 213 F HN 0.001 nan 8.300 nan 0.000 0.580 214 G N 0.740 109.627 108.800 0.146 0.000 2.289 214 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 214 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 214 G C -0.132 174.817 174.900 0.083 0.000 1.089 214 G CA -0.110 45.042 45.100 0.087 0.000 0.939 214 G HN 0.350 nan 8.290 nan 0.000 0.499 215 C N -0.628 118.723 119.300 0.085 0.000 2.354 215 C HA 0.759 5.219 4.460 -0.000 0.000 0.381 215 C C 0.736 175.750 174.990 0.039 0.000 1.240 215 C CA -0.851 58.198 59.018 0.051 0.000 2.089 215 C CB 1.562 29.321 27.740 0.032 0.000 2.234 215 C HN 0.758 nan 8.230 nan 0.000 0.544 216 N N 0.882 119.597 118.700 0.024 0.000 2.485 216 N HA 0.470 5.210 4.740 -0.000 0.000 0.243 216 N C -1.279 174.248 175.510 0.028 0.000 0.987 216 N CA -0.040 53.026 53.050 0.026 0.000 0.940 216 N CB -0.042 38.454 38.487 0.015 0.000 1.122 216 N HN 0.564 nan 8.380 nan 0.000 0.509 217 L N 3.758 125.010 121.223 0.047 0.000 2.289 217 L HA 0.519 4.859 4.340 -0.000 0.000 0.285 217 L C -0.286 176.646 176.870 0.102 0.000 1.049 217 L CA -0.798 54.080 54.840 0.063 0.000 0.804 217 L CB 0.990 43.089 42.059 0.066 0.000 1.195 217 L HN 0.327 nan 8.230 nan 0.000 0.428 218 L N 3.501 124.790 121.223 0.109 0.000 2.323 218 L HA 0.630 4.970 4.340 -0.000 0.000 0.265 218 L C -1.067 175.948 176.870 0.240 0.000 1.012 218 L CA -1.001 53.920 54.840 0.135 0.000 0.820 218 L CB 1.966 44.054 42.059 0.048 0.000 1.334 218 L HN 0.467 nan 8.230 nan 0.000 0.427 219 Y N -0.693 119.654 120.300 0.079 0.000 2.513 219 Y HA 0.672 5.222 4.550 -0.000 0.000 0.340 219 Y C -1.235 174.749 175.900 0.139 0.000 1.055 219 Y CA -1.168 56.997 58.100 0.109 0.000 1.020 219 Y CB 1.202 39.732 38.460 0.116 0.000 1.301 219 Y HN 0.600 nan 8.280 nan 0.000 0.453 220 H N 2.589 121.704 119.070 0.076 0.000 2.538 220 H HA 0.689 5.245 4.556 -0.000 0.000 0.353 220 H C -1.820 173.618 175.328 0.183 0.000 1.109 220 H CA -0.371 55.656 56.048 -0.035 0.000 1.192 220 H CB 1.769 31.482 29.762 -0.081 0.000 1.555 220 H HN 0.908 nan 8.280 nan 0.000 0.518 221 D N 2.769 122.859 120.400 -0.516 0.000 2.648 221 D HA 0.131 4.771 4.640 -0.000 0.000 0.244 221 D C 0.419 176.578 176.300 -0.234 0.000 1.244 221 D CA -0.563 53.280 54.000 -0.261 0.000 0.772 221 D CB 1.741 42.618 40.800 0.129 0.000 1.379 221 D HN 0.750 nan 8.370 nan 0.000 0.428 222 R N 0.503 120.936 120.500 -0.112 0.000 2.159 222 R HA 0.030 4.370 4.340 -0.000 0.000 0.237 222 R C 0.336 176.673 176.300 0.061 0.000 1.131 222 R CA 0.860 56.969 56.100 0.014 0.000 0.982 222 R CB 0.008 30.324 30.300 0.026 0.000 0.868 222 R HN 0.265 nan 8.270 nan 0.000 0.453 223 L N 0.843 122.092 121.223 0.043 0.000 2.341 223 L HA 0.303 4.643 4.340 -0.000 0.000 0.278 223 L C -0.163 176.664 176.870 -0.073 0.000 1.005 223 L CA -0.663 54.170 54.840 -0.011 0.000 0.818 223 L CB 1.894 43.949 42.059 -0.006 0.000 1.259 223 L HN -0.025 nan 8.230 nan 0.000 0.418 224 Q N 2.856 122.477 119.800 -0.298 0.000 2.293 224 Q HA 0.400 4.740 4.340 -0.000 0.000 0.251 224 Q C -0.490 175.402 176.000 -0.179 0.000 0.930 224 Q CA -0.447 55.024 55.803 -0.553 0.000 0.893 224 Q CB 1.194 29.367 28.738 -0.941 0.000 1.215 224 Q HN 0.541 nan 8.270 nan 0.000 0.425 225 M N 1.886 121.468 119.600 -0.030 0.000 2.198 225 M HA 0.262 4.742 4.480 -0.000 0.000 0.315 225 M C 0.285 176.547 176.300 -0.064 0.000 1.134 225 M CA -0.374 54.884 55.300 -0.071 0.000 1.171 225 M CB 0.562 33.058 32.600 -0.173 0.000 1.413 225 M HN 0.747 nan 8.290 nan 0.000 0.467 226 A N 2.346 125.131 122.820 -0.059 0.000 2.507 226 A HA 0.189 4.509 4.320 -0.000 0.000 0.235 226 A C -1.490 176.078 177.584 -0.026 0.000 1.070 226 A CA -1.083 50.929 52.037 -0.043 0.000 0.768 226 A CB -0.683 18.296 19.000 -0.036 0.000 1.011 226 A HN 0.660 nan 8.150 nan 0.000 0.502 227 P HA -0.149 nan 4.420 nan 0.000 0.218 227 P C 0.700 178.001 177.300 0.001 0.000 1.148 227 P CA 1.473 64.574 63.100 0.001 0.000 0.822 227 P CB 0.161 31.861 31.700 0.000 0.000 0.784 228 E N -0.325 119.870 120.200 -0.008 0.000 2.106 228 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 228 E C 2.188 178.780 176.600 -0.013 0.000 0.984 228 E CA 0.716 57.111 56.400 -0.008 0.000 0.806 228 E CB -0.876 28.817 29.700 -0.011 0.000 0.750 228 E HN 0.204 nan 8.360 nan 0.000 0.458 229 L N 0.726 121.933 121.223 -0.027 0.000 2.056 229 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 229 L C 2.219 179.067 176.870 -0.037 0.000 1.078 229 L CA 1.211 56.023 54.840 -0.045 0.000 0.749 229 L CB -0.219 41.791 42.059 -0.081 0.000 0.901 229 L HN 0.171 nan 8.230 nan 0.000 0.433 230 E N -0.051 120.143 120.200 -0.010 0.000 2.085 230 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 230 E C 2.104 178.731 176.600 0.044 0.000 0.994 230 E CA 1.433 57.861 56.400 0.047 0.000 0.801 230 E CB -0.040 29.726 29.700 0.108 0.000 0.743 230 E HN 0.352 nan 8.360 nan 0.000 0.453 231 K N 0.961 121.378 120.400 0.027 0.000 2.062 231 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 231 K C 2.065 178.675 176.600 0.017 0.000 1.051 231 K CA 1.252 57.553 56.287 0.025 0.000 0.941 231 K CB 0.114 32.625 32.500 0.017 0.000 0.719 231 K HN -0.134 nan 8.250 nan 0.000 0.440 232 E N 0.274 120.478 120.200 0.006 0.000 2.106 232 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 232 E C 1.799 178.403 176.600 0.006 0.000 0.984 232 E CA 1.946 58.347 56.400 0.003 0.000 0.806 232 E CB -0.177 29.520 29.700 -0.006 0.000 0.750 232 E HN 0.564 nan 8.360 nan 0.000 0.458 233 T N -4.011 110.544 114.554 0.002 0.000 3.043 233 T HA 0.153 4.503 4.350 -0.000 0.000 0.263 233 T C 1.639 176.356 174.700 0.028 0.000 1.094 233 T CA 0.762 62.865 62.100 0.005 0.000 1.127 233 T CB -0.076 68.778 68.868 -0.023 0.000 0.905 233 T HN 0.272 nan 8.240 nan 0.000 0.490 234 G N 1.422 110.245 108.800 0.038 0.000 2.143 234 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.248 234 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.248 234 G C 0.179 175.129 174.900 0.083 0.000 0.991 234 G CA -0.022 45.111 45.100 0.054 0.000 0.689 234 G HN 1.214 nan 8.290 nan 0.000 0.522 235 A N -0.167 122.715 122.820 0.105 0.000 2.309 235 A HA 0.726 5.046 4.320 -0.000 0.000 0.298 235 A C 0.338 178.116 177.584 0.324 0.000 1.165 235 A CA 0.209 52.363 52.037 0.195 0.000 0.821 235 A CB 0.784 19.881 19.000 0.163 0.000 1.102 235 A HN 0.585 nan 8.150 nan 0.000 0.500 236 K N 2.634 123.208 120.400 0.289 0.000 2.235 236 K HA 0.433 4.753 4.320 -0.000 0.000 0.266 236 K C -1.134 175.490 176.600 0.039 0.000 0.980 236 K CA -0.549 55.855 56.287 0.195 0.000 0.849 236 K CB 0.691 33.247 32.500 0.093 0.000 1.098 236 K HN 0.539 nan 8.250 nan 0.000 0.445 237 F N 4.657 124.422 119.950 -0.308 0.000 2.529 237 F HA 0.203 4.730 4.527 -0.000 0.000 0.365 237 F C -0.763 174.833 175.800 -0.340 0.000 1.102 237 F CA -0.034 57.532 58.000 -0.722 0.000 1.271 237 F CB 0.737 39.452 39.000 -0.475 0.000 1.120 237 F HN 0.144 nan 8.300 nan 0.000 0.579 238 V N 7.658 127.077 119.914 -0.826 0.000 2.380 238 V HA 0.136 4.256 4.120 -0.000 0.000 0.286 238 V C 0.689 176.300 176.094 -0.806 0.000 1.015 238 V CA -0.610 61.328 62.300 -0.604 0.000 0.834 238 V CB 1.081 32.733 31.823 -0.284 0.000 1.009 238 V HN 0.926 nan 8.190 nan 0.000 0.428 239 E N 2.930 122.636 120.200 -0.824 0.000 2.072 239 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 239 E C 0.685 177.187 176.600 -0.163 0.000 0.985 239 E CA 0.926 56.947 56.400 -0.633 0.000 0.801 239 E CB 0.312 29.838 29.700 -0.291 0.000 0.750 239 E HN 0.766 nan 8.360 nan 0.000 0.452 240 D N 0.472 120.771 120.400 -0.169 0.000 2.347 240 D HA -0.021 4.619 4.640 -0.000 0.000 0.235 240 D C 0.878 177.024 176.300 -0.258 0.000 1.149 240 D CA -0.269 53.643 54.000 -0.147 0.000 0.850 240 D CB 1.371 42.102 40.800 -0.114 0.000 1.061 240 D HN 0.123 nan 8.370 nan 0.000 0.487 241 L N 5.246 126.183 121.223 -0.476 0.000 2.043 241 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 241 L C 1.455 178.142 176.870 -0.305 0.000 1.075 241 L CA 1.744 56.202 54.840 -0.636 0.000 0.752 241 L CB -0.681 40.866 42.059 -0.853 0.000 0.891 241 L HN 0.426 nan 8.230 nan 0.000 0.432 242 N N -0.075 118.488 118.700 -0.228 0.000 2.258 242 N HA -0.266 4.474 4.740 -0.000 0.000 0.187 242 N C 1.787 177.227 175.510 -0.117 0.000 1.012 242 N CA 1.598 54.557 53.050 -0.151 0.000 0.870 242 N CB -0.177 38.236 38.487 -0.123 0.000 0.977 242 N HN 0.658 nan 8.380 nan 0.000 0.434 243 E N 0.247 120.371 120.200 -0.128 0.000 2.112 243 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 243 E C 1.986 178.531 176.600 -0.092 0.000 0.979 243 E CA 0.344 56.683 56.400 -0.102 0.000 0.814 243 E CB 0.077 29.711 29.700 -0.109 0.000 0.762 243 E HN 0.232 nan 8.360 nan 0.000 0.460 244 M N 0.322 119.856 119.600 -0.110 0.000 2.193 244 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 244 M C 1.898 178.170 176.300 -0.046 0.000 1.071 244 M CA 0.868 56.122 55.300 -0.078 0.000 1.140 244 M CB 0.083 32.636 32.600 -0.078 0.000 1.369 244 M HN 0.177 nan 8.290 nan 0.000 0.423 245 L N 0.485 121.681 121.223 -0.046 0.000 1.997 245 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 245 L C -0.615 176.254 176.870 -0.001 0.000 1.074 245 L CA 1.732 56.570 54.840 -0.003 0.000 0.763 245 L CB -2.485 39.579 42.059 0.007 0.000 0.890 245 L HN 0.243 nan 8.230 nan 0.000 0.434 246 P HA -0.121 nan 4.420 nan 0.000 0.226 246 P C 1.083 178.371 177.300 -0.020 0.000 1.153 246 P CA 1.187 64.284 63.100 -0.006 0.000 0.777 246 P CB 0.042 31.737 31.700 -0.009 0.000 0.794 247 K N -1.723 118.662 120.400 -0.025 0.000 2.418 247 K HA 0.043 4.363 4.320 -0.000 0.000 0.195 247 K C 0.197 176.776 176.600 -0.035 0.000 1.035 247 K CA 0.259 56.528 56.287 -0.030 0.000 1.003 247 K CB -0.207 32.276 32.500 -0.029 0.000 0.793 247 K HN 0.141 nan 8.250 nan 0.000 0.494 248 C N 2.259 121.538 119.300 -0.034 0.000 2.347 248 C HA 0.158 4.618 4.460 -0.000 0.000 0.353 248 C C 1.292 176.243 174.990 -0.065 0.000 1.273 248 C CA -1.017 57.976 59.018 -0.042 0.000 1.861 248 C CB 0.592 28.315 27.740 -0.028 0.000 2.420 248 C HN 0.448 nan 8.230 nan 0.000 0.542 249 D N 1.145 121.498 120.400 -0.078 0.000 2.183 249 D HA -0.018 4.622 4.640 -0.000 0.000 0.203 249 D C 0.390 176.627 176.300 -0.105 0.000 0.969 249 D CA 1.363 55.299 54.000 -0.106 0.000 0.842 249 D CB 0.262 40.990 40.800 -0.121 0.000 0.957 249 D HN 0.370 nan 8.370 nan 0.000 0.484 250 V N 1.904 121.763 119.914 -0.092 0.000 2.638 250 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 250 V C -0.025 176.018 176.094 -0.086 0.000 1.052 250 V CA -1.027 61.212 62.300 -0.101 0.000 0.885 250 V CB 2.290 34.047 31.823 -0.110 0.000 0.999 250 V HN -0.010 nan 8.190 nan 0.000 0.424 251 I N 2.509 123.020 120.570 -0.099 0.000 2.562 251 I HA 0.910 5.080 4.170 -0.000 0.000 0.301 251 I C -0.916 175.116 176.117 -0.141 0.000 1.003 251 I CA -0.843 60.403 61.300 -0.090 0.000 1.127 251 I CB 2.208 40.170 38.000 -0.063 0.000 1.304 251 I HN 0.281 nan 8.210 nan 0.000 0.446 252 V N 6.217 126.062 119.914 -0.114 0.000 2.483 252 V HA 0.401 4.521 4.120 -0.000 0.000 0.297 252 V C 0.059 176.084 176.094 -0.114 0.000 1.027 252 V CA -0.561 61.658 62.300 -0.135 0.000 0.855 252 V CB 1.443 33.202 31.823 -0.106 0.000 0.995 252 V HN 0.520 nan 8.190 nan 0.000 0.424 253 I N 4.481 124.951 120.570 -0.166 0.000 2.396 253 I HA 0.339 4.509 4.170 -0.000 0.000 0.289 253 I C 0.421 176.500 176.117 -0.062 0.000 1.056 253 I CA 0.372 61.594 61.300 -0.129 0.000 1.365 253 I CB 0.642 38.527 38.000 -0.192 0.000 1.407 253 I HN 0.637 nan 8.210 nan 0.000 0.509 254 N N 6.803 125.498 118.700 -0.008 0.000 2.628 254 N HA 0.349 5.089 4.740 -0.000 0.000 0.299 254 N C -0.726 174.796 175.510 0.019 0.000 1.834 254 N CA -0.081 52.971 53.050 0.003 0.000 0.871 254 N CB 0.931 39.422 38.487 0.006 0.000 1.377 254 N HN 0.540 nan 8.380 nan 0.000 0.493 255 M N 0.139 119.749 119.600 0.018 0.000 2.690 255 M HA 0.564 5.044 4.480 -0.000 0.000 0.302 255 M C -2.396 173.883 176.300 -0.036 0.000 1.234 255 M CA -1.715 53.585 55.300 0.000 0.000 0.853 255 M CB 2.259 34.879 32.600 0.033 0.000 1.748 255 M HN -0.152 nan 8.290 nan 0.000 0.469 256 P HA 0.261 nan 4.420 nan 0.000 0.276 256 P C -1.304 175.921 177.300 -0.125 0.000 1.261 256 P CA -0.663 62.326 63.100 -0.185 0.000 0.800 256 P CB 0.437 31.787 31.700 -0.584 0.000 1.066 257 L N 1.559 122.763 121.223 -0.032 0.000 2.283 257 L HA 0.450 4.790 4.340 -0.000 0.000 0.287 257 L C 0.033 176.939 176.870 0.059 0.000 1.073 257 L CA 0.591 55.458 54.840 0.046 0.000 0.822 257 L CB -0.553 41.573 42.059 0.112 0.000 1.186 257 L HN 0.593 nan 8.230 nan 0.000 0.436 258 T N -0.340 114.234 114.554 0.032 0.000 2.887 258 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 258 T C 0.725 175.472 174.700 0.078 0.000 1.087 258 T CA -0.304 61.839 62.100 0.071 0.000 1.009 258 T CB 1.080 69.940 68.868 -0.013 0.000 1.203 258 T HN 0.648 nan 8.240 nan 0.000 0.518 259 E N 0.433 120.686 120.200 0.087 0.000 2.130 259 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 259 E C 1.704 178.333 176.600 0.048 0.000 0.998 259 E CA 1.499 57.937 56.400 0.064 0.000 0.806 259 E CB -0.049 29.686 29.700 0.060 0.000 0.738 259 E HN 0.647 nan 8.360 nan 0.000 0.459 260 K N -0.651 119.775 120.400 0.043 0.000 2.103 260 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 260 K C 2.285 178.907 176.600 0.037 0.000 1.052 260 K CA 1.634 57.941 56.287 0.034 0.000 0.945 260 K CB -0.045 32.475 32.500 0.032 0.000 0.722 260 K HN 0.233 nan 8.250 nan 0.000 0.443 261 T N -1.164 113.417 114.554 0.046 0.000 3.067 261 T HA -0.025 4.325 4.350 -0.000 0.000 0.261 261 T C 0.899 175.652 174.700 0.088 0.000 1.110 261 T CA -0.165 61.978 62.100 0.070 0.000 1.113 261 T CB -0.075 68.836 68.868 0.072 0.000 0.917 261 T HN 0.025 nan 8.240 nan 0.000 0.499 262 R N 1.387 121.931 120.500 0.073 0.000 2.458 262 R HA 0.330 4.670 4.340 -0.000 0.000 0.303 262 R C 1.312 177.657 176.300 0.076 0.000 1.013 262 R CA 0.929 57.076 56.100 0.078 0.000 1.026 262 R CB -0.643 29.695 30.300 0.064 0.000 0.948 262 R HN 0.477 nan 8.270 nan 0.000 0.417 263 G N 4.911 113.771 108.800 0.100 0.000 2.258 263 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.274 263 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.274 263 G C 0.674 175.625 174.900 0.084 0.000 1.021 263 G CA 0.835 45.995 45.100 0.100 0.000 0.798 263 G HN 0.840 nan 8.290 nan 0.000 0.507 264 M N -2.263 117.393 119.600 0.093 0.000 2.159 264 M HA 0.292 4.772 4.480 -0.000 0.000 0.263 264 M C 1.088 177.306 176.300 -0.135 0.000 1.063 264 M CA 1.264 56.552 55.300 -0.019 0.000 1.110 264 M CB -0.055 32.523 32.600 -0.038 0.000 1.374 264 M HN 0.047 nan 8.290 nan 0.000 0.411 265 F N 3.645 123.617 119.950 0.037 0.000 2.652 265 F HA 0.229 4.756 4.527 -0.000 0.000 0.352 265 F C 0.450 176.273 175.800 0.039 0.000 1.259 265 F CA -1.045 56.977 58.000 0.037 0.000 1.249 265 F CB -1.001 38.029 39.000 0.050 0.000 1.628 265 F HN 0.379 nan 8.300 nan 0.000 0.654 266 N N 0.550 119.287 118.700 0.062 0.000 2.476 266 N HA 0.155 4.895 4.740 -0.000 0.000 0.287 266 N C 1.264 176.794 175.510 0.035 0.000 1.262 266 N CA -0.741 52.339 53.050 0.050 0.000 0.980 266 N CB 0.421 38.914 38.487 0.010 0.000 1.163 266 N HN 0.252 nan 8.380 nan 0.000 0.592 267 K N -0.210 120.202 120.400 0.019 0.000 2.034 267 K HA -0.304 4.016 4.320 -0.000 0.000 0.214 267 K C 1.616 178.202 176.600 -0.024 0.000 1.051 267 K CA 1.981 58.268 56.287 0.001 0.000 0.931 267 K CB -0.258 32.237 32.500 -0.008 0.000 0.715 267 K HN 0.712 nan 8.250 nan 0.000 0.446 268 E N 0.146 120.325 120.200 -0.036 0.000 2.058 268 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 268 E C 2.113 178.674 176.600 -0.064 0.000 0.997 268 E CA 1.418 57.785 56.400 -0.054 0.000 0.801 268 E CB -0.118 29.548 29.700 -0.056 0.000 0.746 268 E HN 0.309 nan 8.360 nan 0.000 0.450 269 L N 0.753 121.926 121.223 -0.084 0.000 2.109 269 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 269 L C 2.158 179.013 176.870 -0.025 0.000 1.086 269 L CA 1.286 56.045 54.840 -0.134 0.000 0.760 269 L CB -0.229 41.632 42.059 -0.330 0.000 0.910 269 L HN 0.256 nan 8.230 nan 0.000 0.437 270 I N -0.702 119.902 120.570 0.057 0.000 2.361 270 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 270 I C 2.363 178.540 176.117 0.101 0.000 1.133 270 I CA 1.197 62.588 61.300 0.152 0.000 1.413 270 I CB -0.880 37.213 38.000 0.156 0.000 1.073 270 I HN 0.404 nan 8.210 nan 0.000 0.424 271 G N 0.915 109.698 108.800 -0.029 0.000 2.462 271 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 271 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 271 G C 1.633 176.511 174.900 -0.037 0.000 1.121 271 G CA 0.516 45.522 45.100 -0.155 0.000 0.758 271 G HN 0.384 nan 8.290 nan 0.000 0.559 272 K N -0.280 120.135 120.400 0.026 0.000 2.459 272 K HA 0.230 4.550 4.320 -0.000 0.000 0.193 272 K C 0.649 177.311 176.600 0.103 0.000 1.030 272 K CA -0.269 56.042 56.287 0.040 0.000 1.026 272 K CB 0.073 32.566 32.500 -0.012 0.000 0.809 272 K HN 0.268 nan 8.250 nan 0.000 0.504 273 L N 1.791 123.131 121.223 0.196 0.000 2.464 273 L HA 0.092 4.432 4.340 -0.000 0.000 0.264 273 L C 0.576 177.508 176.870 0.104 0.000 1.199 273 L CA -0.513 54.417 54.840 0.151 0.000 0.818 273 L CB 0.179 42.322 42.059 0.139 0.000 1.102 273 L HN 0.035 nan 8.230 nan 0.000 0.473 274 K N 1.565 121.947 120.400 -0.030 0.000 2.485 274 K HA -0.032 4.288 4.320 -0.000 0.000 0.277 274 K C -0.130 176.275 176.600 -0.325 0.000 0.990 274 K CA -0.365 55.861 56.287 -0.101 0.000 0.994 274 K CB 0.558 33.005 32.500 -0.088 0.000 0.906 274 K HN 0.261 nan 8.250 nan 0.000 0.488 275 K N 2.335 122.568 120.400 -0.279 0.000 2.447 275 K HA 0.073 4.393 4.320 -0.000 0.000 0.281 275 K C 0.552 177.000 176.600 -0.252 0.000 1.031 275 K CA 1.556 57.632 56.287 -0.351 0.000 1.019 275 K CB 0.194 32.647 32.500 -0.079 0.000 0.918 275 K HN 0.779 nan 8.250 nan 0.000 0.476 276 G N 2.160 110.806 108.800 -0.257 0.000 2.143 276 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.249 276 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.249 276 G C 0.086 174.893 174.900 -0.156 0.000 0.981 276 G CA 0.078 45.087 45.100 -0.151 0.000 0.665 276 G HN 0.658 nan 8.290 nan 0.000 0.528 277 V N 0.758 120.552 119.914 -0.199 0.000 2.788 277 V HA 0.442 4.562 4.120 -0.000 0.000 0.307 277 V C 0.850 176.874 176.094 -0.116 0.000 1.069 277 V CA 0.270 62.481 62.300 -0.149 0.000 1.173 277 V CB 0.785 32.526 31.823 -0.137 0.000 0.925 277 V HN 0.357 nan 8.190 nan 0.000 0.492 278 L N 7.529 128.684 121.223 -0.113 0.000 2.296 278 L HA 0.575 4.915 4.340 -0.000 0.000 0.286 278 L C -0.349 176.434 176.870 -0.145 0.000 1.023 278 L CA -0.297 54.472 54.840 -0.117 0.000 0.812 278 L CB 1.457 43.445 42.059 -0.117 0.000 1.223 278 L HN 0.480 nan 8.230 nan 0.000 0.421 279 I N 3.692 124.153 120.570 -0.181 0.000 2.406 279 I HA 0.409 4.579 4.170 -0.000 0.000 0.290 279 I C -0.572 175.265 176.117 -0.468 0.000 0.999 279 I CA -0.840 60.298 61.300 -0.270 0.000 1.124 279 I CB 2.255 40.145 38.000 -0.182 0.000 1.289 279 I HN 0.211 nan 8.210 nan 0.000 0.441 280 V N 5.167 124.834 119.914 -0.412 0.000 2.398 280 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 280 V C -0.300 175.525 176.094 -0.448 0.000 1.026 280 V CA -0.524 61.508 62.300 -0.446 0.000 0.868 280 V CB 1.643 33.294 31.823 -0.287 0.000 0.982 280 V HN 0.720 nan 8.190 nan 0.000 0.443 281 N N 3.637 122.020 118.700 -0.528 0.000 2.648 281 N HA 0.317 5.057 4.740 -0.000 0.000 0.261 281 N C -0.275 175.090 175.510 -0.243 0.000 1.138 281 N CA -0.325 52.514 53.050 -0.352 0.000 0.804 281 N CB 0.831 39.126 38.487 -0.320 0.000 1.237 281 N HN 0.485 nan 8.380 nan 0.000 0.532 282 N N 1.190 119.793 118.700 -0.162 0.000 2.279 282 N HA 0.294 5.034 4.740 -0.000 0.000 0.226 282 N C 0.744 176.227 175.510 -0.046 0.000 1.126 282 N CA 0.024 53.020 53.050 -0.089 0.000 0.846 282 N CB 0.890 39.348 38.487 -0.049 0.000 1.050 282 N HN 0.584 nan 8.380 nan 0.000 0.502 283 A N 0.322 123.110 122.820 -0.053 0.000 2.109 283 A HA 0.345 4.665 4.320 -0.000 0.000 0.220 283 A C 0.593 178.173 177.584 -0.007 0.000 1.613 283 A CA 0.841 52.868 52.037 -0.016 0.000 0.620 283 A CB 0.424 19.416 19.000 -0.014 0.000 1.212 283 A HN 0.026 nan 8.150 nan 0.000 0.508 284 R N -2.037 118.472 120.500 0.015 0.000 2.651 284 R HA 0.394 4.734 4.340 -0.000 0.000 0.278 284 R C 0.947 177.301 176.300 0.090 0.000 1.010 284 R CA 0.093 56.218 56.100 0.041 0.000 0.896 284 R CB 1.128 31.473 30.300 0.074 0.000 1.211 284 R HN 0.469 nan 8.270 nan 0.000 0.456 285 G N 0.939 109.808 108.800 0.116 0.000 2.421 285 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 285 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 285 G C 0.994 176.020 174.900 0.211 0.000 1.171 285 G CA 1.071 46.296 45.100 0.208 0.000 0.775 285 G HN 0.598 nan 8.290 nan 0.000 0.543 286 A N 0.138 123.039 122.820 0.134 0.000 2.239 286 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 286 A C 2.187 179.856 177.584 0.141 0.000 1.171 286 A CA 0.352 52.459 52.037 0.116 0.000 0.768 286 A CB -0.308 18.740 19.000 0.080 0.000 0.790 286 A HN 0.403 nan 8.150 nan 0.000 0.478 287 I N -0.140 120.526 120.570 0.159 0.000 2.361 287 I HA -0.166 4.004 4.170 -0.000 0.000 0.251 287 I C 0.595 176.874 176.117 0.270 0.000 1.133 287 I CA 0.528 61.942 61.300 0.191 0.000 1.413 287 I CB -0.233 37.865 38.000 0.163 0.000 1.073 287 I HN 0.281 nan 8.210 nan 0.000 0.424 288 M N 0.667 120.429 119.600 0.269 0.000 2.277 288 M HA 0.258 4.738 4.480 -0.000 0.000 0.350 288 M C 0.005 176.465 176.300 0.268 0.000 1.180 288 M CA -0.160 55.325 55.300 0.309 0.000 1.103 288 M CB 0.458 33.259 32.600 0.334 0.000 1.577 288 M HN -0.025 nan 8.290 nan 0.000 0.459 289 E N 1.623 121.956 120.200 0.222 0.000 2.316 289 E HA 0.091 4.441 4.350 -0.000 0.000 0.275 289 E C 1.002 177.725 176.600 0.204 0.000 1.029 289 E CA -0.111 56.382 56.400 0.155 0.000 0.871 289 E CB 1.464 31.225 29.700 0.103 0.000 1.022 289 E HN 0.493 nan 8.360 nan 0.000 0.418 290 R N 2.920 123.485 120.500 0.109 0.000 2.082 290 R HA -0.268 4.072 4.340 -0.000 0.000 0.234 290 R C 1.911 178.327 176.300 0.193 0.000 1.136 290 R CA 2.038 58.176 56.100 0.064 0.000 0.935 290 R CB -0.023 30.116 30.300 -0.270 0.000 0.842 290 R HN 0.494 nan 8.270 nan 0.000 0.430 291 Q N 0.141 119.986 119.800 0.075 0.000 2.119 291 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 291 Q C 1.804 177.858 176.000 0.091 0.000 0.972 291 Q CA 1.932 57.778 55.803 0.073 0.000 0.847 291 Q CB -0.237 28.515 28.738 0.024 0.000 0.903 291 Q HN 0.470 nan 8.270 nan 0.000 0.433 292 A N -0.587 122.287 122.820 0.091 0.000 1.908 292 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 292 A C 2.256 179.878 177.584 0.064 0.000 1.181 292 A CA 1.709 53.789 52.037 0.072 0.000 0.627 292 A CB -0.940 18.106 19.000 0.078 0.000 0.818 292 A HN 0.272 nan 8.150 nan 0.000 0.445 293 V N -0.233 119.727 119.914 0.077 0.000 2.255 293 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 293 V C 2.610 178.663 176.094 -0.068 0.000 1.051 293 V CA 2.096 64.349 62.300 -0.079 0.000 1.018 293 V CB -0.891 30.713 31.823 -0.365 0.000 0.641 293 V HN 0.396 nan 8.190 nan 0.000 0.445 294 V N 0.418 120.377 119.914 0.075 0.000 2.252 294 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 294 V C 2.310 178.430 176.094 0.044 0.000 1.056 294 V CA 2.379 64.728 62.300 0.081 0.000 1.022 294 V CB -0.895 31.021 31.823 0.154 0.000 0.641 294 V HN 0.564 nan 8.190 nan 0.000 0.445 295 D N 0.632 121.059 120.400 0.046 0.000 2.133 295 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 295 D C 2.125 178.444 176.300 0.033 0.000 0.997 295 D CA 1.883 55.904 54.000 0.035 0.000 0.840 295 D CB -0.372 40.445 40.800 0.027 0.000 0.947 295 D HN 0.503 nan 8.370 nan 0.000 0.452 296 A N 0.334 123.173 122.820 0.032 0.000 2.067 296 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 296 A C 2.429 180.048 177.584 0.058 0.000 1.156 296 A CA 0.434 52.510 52.037 0.064 0.000 0.683 296 A CB -0.248 18.808 19.000 0.094 0.000 0.808 296 A HN 0.130 nan 8.150 nan 0.000 0.455 297 V N 0.113 120.033 119.914 0.010 0.000 2.453 297 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 297 V C 2.301 178.413 176.094 0.029 0.000 1.048 297 V CA 1.825 64.126 62.300 0.001 0.000 1.049 297 V CB -0.495 31.301 31.823 -0.046 0.000 0.672 297 V HN 0.455 nan 8.190 nan 0.000 0.457 298 E N 0.448 120.670 120.200 0.036 0.000 2.358 298 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 298 E C 2.350 178.976 176.600 0.044 0.000 1.010 298 E CA 1.189 57.615 56.400 0.043 0.000 0.856 298 E CB -0.005 29.722 29.700 0.045 0.000 0.795 298 E HN 0.746 nan 8.360 nan 0.000 0.504 299 S N -1.528 114.202 115.700 0.050 0.000 2.517 299 S HA 0.200 4.670 4.470 -0.000 0.000 0.214 299 S C 1.650 176.290 174.600 0.068 0.000 0.991 299 S CA 0.696 58.930 58.200 0.056 0.000 0.906 299 S CB 0.517 63.753 63.200 0.060 0.000 0.789 299 S HN 0.214 nan 8.310 nan 0.000 0.513 300 G N 0.902 109.741 108.800 0.065 0.000 2.179 300 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 300 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 300 G C 0.512 175.443 174.900 0.052 0.000 0.977 300 G CA 0.739 45.871 45.100 0.053 0.000 0.641 300 G HN 0.658 nan 8.290 nan 0.000 0.533 301 H N 0.146 119.220 119.070 0.006 0.000 2.352 301 H HA 0.159 4.715 4.556 -0.000 0.000 0.299 301 H C 1.486 176.812 175.328 -0.002 0.000 1.097 301 H CA 1.801 57.850 56.048 0.002 0.000 1.311 301 H CB -0.031 29.733 29.762 0.003 0.000 1.377 301 H HN 0.503 nan 8.280 nan 0.000 0.504 302 I N 0.758 121.340 120.570 0.019 0.000 2.312 302 I HA 0.092 4.262 4.170 -0.000 0.000 0.291 302 I C 1.609 177.703 176.117 -0.038 0.000 1.031 302 I CA 0.086 61.365 61.300 -0.035 0.000 1.293 302 I CB 1.815 39.814 38.000 -0.002 0.000 1.403 302 I HN 0.330 nan 8.210 nan 0.000 0.484 303 G N 4.676 113.437 108.800 -0.064 0.000 2.422 303 G HA2 0.216 4.176 3.960 -0.000 0.000 0.218 303 G HA3 0.216 4.176 3.960 -0.000 0.000 0.218 303 G C 0.653 175.537 174.900 -0.025 0.000 1.140 303 G CA 0.691 45.765 45.100 -0.042 0.000 0.775 303 G HN 0.788 nan 8.290 nan 0.000 0.545 304 G N -1.963 106.818 108.800 -0.032 0.000 2.633 304 G HA2 0.437 4.397 3.960 -0.000 0.000 0.299 304 G HA3 0.437 4.397 3.960 -0.000 0.000 0.299 304 G C -2.304 172.579 174.900 -0.028 0.000 1.501 304 G CA -0.685 44.399 45.100 -0.027 0.000 0.887 304 G HN 0.230 nan 8.290 nan 0.000 0.561 305 Y N 1.184 121.369 120.300 -0.192 0.000 2.421 305 Y HA 0.763 5.313 4.550 -0.000 0.000 0.339 305 Y C -0.538 175.200 175.900 -0.270 0.000 0.996 305 Y CA -0.790 57.141 58.100 -0.281 0.000 1.046 305 Y CB 2.512 40.726 38.460 -0.409 0.000 1.226 305 Y HN 0.776 nan 8.280 nan 0.000 0.445 306 S N 3.940 119.208 115.700 -0.720 0.000 2.575 306 S HA 0.914 5.384 4.470 -0.000 0.000 0.278 306 S C -0.862 173.374 174.600 -0.607 0.000 1.139 306 S CA 0.182 58.095 58.200 -0.478 0.000 0.954 306 S CB 1.139 64.170 63.200 -0.282 0.000 1.054 306 S HN 1.331 nan 8.310 nan 0.000 0.483 307 G N 1.957 110.509 108.800 -0.413 0.000 2.576 307 G HA2 0.450 4.410 3.960 -0.000 0.000 0.290 307 G HA3 0.450 4.410 3.960 -0.000 0.000 0.290 307 G C -0.848 173.944 174.900 -0.180 0.000 1.442 307 G CA -0.362 44.533 45.100 -0.341 0.000 0.792 307 G HN 0.621 nan 8.290 nan 0.000 0.491 308 D N -1.575 118.768 120.400 -0.095 0.000 2.433 308 D HA 0.092 4.732 4.640 -0.000 0.000 0.211 308 D C 0.893 177.260 176.300 0.111 0.000 1.114 308 D CA 0.400 54.453 54.000 0.087 0.000 0.837 308 D CB 0.523 41.422 40.800 0.165 0.000 0.984 308 D HN 0.694 nan 8.370 nan 0.000 0.505 309 V N -2.520 117.317 119.914 -0.128 0.000 2.628 309 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 309 V C -1.377 174.680 176.094 -0.061 0.000 1.045 309 V CA -0.872 61.376 62.300 -0.088 0.000 0.905 309 V CB 1.357 33.060 31.823 -0.201 0.000 0.997 309 V HN 0.020 nan 8.190 nan 0.000 0.436 310 W N 0.769 122.056 121.300 -0.021 0.000 3.029 310 W HA 0.724 5.384 4.660 -0.000 0.000 0.339 310 W C -1.140 175.334 176.519 -0.075 0.000 1.198 310 W CA -0.480 56.813 57.345 -0.086 0.000 1.148 310 W CB 1.518 30.853 29.460 -0.209 0.000 1.451 310 W HN 0.683 nan 8.180 nan 0.000 0.564 311 D N 1.873 122.342 120.400 0.115 0.000 2.549 311 D HA 0.477 5.117 4.640 -0.000 0.000 0.251 311 D C -2.301 174.070 176.300 0.118 0.000 1.153 311 D CA -1.907 52.148 54.000 0.091 0.000 0.861 311 D CB 2.040 42.846 40.800 0.010 0.000 1.207 311 D HN -0.076 nan 8.370 nan 0.000 0.543 312 P HA 0.346 nan 4.420 nan 0.000 0.306 312 P C -1.024 176.374 177.300 0.163 0.000 1.309 312 P CA -0.564 62.607 63.100 0.118 0.000 0.759 312 P CB 1.085 32.806 31.700 0.034 0.000 1.314 313 Q N -0.617 119.323 119.800 0.232 0.000 2.285 313 Q HA 0.406 4.746 4.340 -0.000 0.000 0.269 313 Q C -2.482 173.542 176.000 0.039 0.000 1.030 313 Q CA -2.006 53.861 55.803 0.107 0.000 0.788 313 Q CB 1.885 30.705 28.738 0.136 0.000 1.266 313 Q HN 0.295 nan 8.270 nan 0.000 0.438 314 P HA -0.051 nan 4.420 nan 0.000 0.265 314 P C -1.112 176.132 177.300 -0.093 0.000 1.187 314 P CA 0.148 63.228 63.100 -0.034 0.000 0.766 314 P CB 0.483 32.196 31.700 0.022 0.000 0.820 315 A N 4.960 127.606 122.820 -0.291 0.000 2.409 315 A HA 0.435 4.755 4.320 -0.000 0.000 0.267 315 A C -1.940 175.538 177.584 -0.176 0.000 1.127 315 A CA -1.109 50.737 52.037 -0.318 0.000 0.795 315 A CB -1.065 17.398 19.000 -0.895 0.000 1.061 315 A HN 0.406 nan 8.150 nan 0.000 0.502 316 P HA 0.053 nan 4.420 nan 0.000 0.270 316 P C 0.749 178.072 177.300 0.038 0.000 1.227 316 P CA -0.297 62.815 63.100 0.019 0.000 0.788 316 P CB 0.552 32.283 31.700 0.053 0.000 0.926 317 K N 1.100 121.536 120.400 0.060 0.000 2.211 317 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 317 K C 0.637 177.385 176.600 0.247 0.000 1.047 317 K CA 1.815 58.173 56.287 0.120 0.000 0.935 317 K CB -0.562 32.002 32.500 0.106 0.000 0.728 317 K HN 0.413 nan 8.250 nan 0.000 0.452 318 D N 0.106 120.630 120.400 0.205 0.000 2.325 318 D HA -0.096 4.544 4.640 -0.000 0.000 0.225 318 D C 0.087 176.558 176.300 0.284 0.000 1.096 318 D CA -0.259 53.896 54.000 0.257 0.000 0.844 318 D CB -0.539 40.333 40.800 0.121 0.000 0.925 318 D HN 0.225 nan 8.370 nan 0.000 0.513 319 H N 2.137 121.300 119.070 0.154 0.000 3.046 319 H HA 0.043 4.599 4.556 -0.000 0.000 0.303 319 H C -1.437 174.003 175.328 0.186 0.000 1.002 319 H CA -1.026 55.089 56.048 0.112 0.000 1.460 319 H CB 1.549 31.360 29.762 0.083 0.000 1.493 319 H HN -0.051 nan 8.280 nan 0.000 0.559 320 P HA -0.140 nan 4.420 nan 0.000 0.220 320 P C 1.246 178.817 177.300 0.453 0.000 1.148 320 P CA 0.856 64.133 63.100 0.296 0.000 0.803 320 P CB -0.021 31.767 31.700 0.147 0.000 0.782 321 W N 1.264 122.772 121.300 0.346 0.000 2.421 321 W HA 0.012 4.672 4.660 -0.000 0.000 0.270 321 W C 2.321 178.899 176.519 0.098 0.000 1.233 321 W CA 0.473 57.909 57.345 0.153 0.000 1.226 321 W CB -1.312 28.152 29.460 0.006 0.000 1.121 321 W HN 0.058 nan 8.180 nan 0.000 0.579 322 R N -1.264 119.402 120.500 0.278 0.000 2.152 322 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 322 R C 1.194 177.266 176.300 -0.379 0.000 1.117 322 R CA 1.534 57.495 56.100 -0.231 0.000 0.981 322 R CB -0.590 29.142 30.300 -0.947 0.000 0.870 322 R HN 0.295 nan 8.270 nan 0.000 0.451 323 Y N -0.098 120.355 120.300 0.255 0.000 2.453 323 Y HA 0.235 4.785 4.550 -0.000 0.000 0.247 323 Y C 0.940 176.920 175.900 0.134 0.000 1.124 323 Y CA -0.973 57.229 58.100 0.170 0.000 1.243 323 Y CB 0.298 38.844 38.460 0.144 0.000 1.213 323 Y HN -0.039 nan 8.280 nan 0.000 0.523 324 M N 1.089 120.825 119.600 0.227 0.000 2.245 324 M HA 0.359 4.839 4.480 -0.000 0.000 0.330 324 M C -2.671 173.694 176.300 0.109 0.000 1.098 324 M CA -1.730 53.659 55.300 0.149 0.000 1.172 324 M CB -0.108 32.550 32.600 0.098 0.000 1.467 324 M HN -0.227 nan 8.290 nan 0.000 0.454 325 P HA 0.072 nan 4.420 nan 0.000 0.266 325 P C -0.530 176.803 177.300 0.053 0.000 1.195 325 P CA 0.414 63.557 63.100 0.071 0.000 0.768 325 P CB 0.298 32.034 31.700 0.061 0.000 0.838 326 N N -1.370 117.364 118.700 0.056 0.000 2.863 326 N HA -0.189 4.551 4.740 -0.000 0.000 0.245 326 N C 0.025 175.555 175.510 0.034 0.000 1.001 326 N CA 1.067 54.142 53.050 0.041 0.000 0.901 326 N CB -1.439 37.065 38.487 0.028 0.000 1.124 326 N HN 0.639 nan 8.380 nan 0.000 0.582 327 Q N 0.286 120.113 119.800 0.044 0.000 2.395 327 Q HA 0.519 4.859 4.340 -0.000 0.000 0.271 327 Q C 0.199 176.221 176.000 0.038 0.000 1.026 327 Q CA 0.685 56.511 55.803 0.037 0.000 0.900 327 Q CB 0.719 29.486 28.738 0.049 0.000 1.266 327 Q HN 0.270 nan 8.270 nan 0.000 0.430 328 A N 3.949 126.772 122.820 0.006 0.000 3.308 328 A HA 0.385 4.705 4.320 -0.000 0.000 0.275 328 A C -0.738 176.836 177.584 -0.017 0.000 0.950 328 A CA -0.792 51.250 52.037 0.008 0.000 0.987 328 A CB 0.167 19.163 19.000 -0.007 0.000 1.146 328 A HN 0.640 nan 8.150 nan 0.000 0.488 329 M N 1.427 121.044 119.600 0.027 0.000 2.255 329 M HA 0.414 4.894 4.480 -0.000 0.000 0.336 329 M C 0.712 177.100 176.300 0.147 0.000 1.135 329 M CA 0.350 55.684 55.300 0.056 0.000 1.145 329 M CB 0.712 33.384 32.600 0.120 0.000 1.473 329 M HN 0.657 nan 8.290 nan 0.000 0.462 330 T N -0.476 114.197 114.554 0.198 0.000 2.907 330 T HA 0.766 5.116 4.350 -0.000 0.000 0.290 330 T C -2.795 172.166 174.700 0.436 0.000 1.066 330 T CA -1.908 60.330 62.100 0.231 0.000 1.012 330 T CB 1.734 70.667 68.868 0.108 0.000 1.184 330 T HN 0.263 nan 8.240 nan 0.000 0.522 331 P HA 0.141 nan 4.420 nan 0.000 0.274 331 P C -0.494 177.005 177.300 0.330 0.000 1.264 331 P CA -0.389 62.835 63.100 0.205 0.000 0.795 331 P CB 0.043 31.740 31.700 -0.006 0.000 1.064 332 H N 0.233 119.429 119.070 0.210 0.000 3.205 332 H HA 0.118 4.674 4.556 -0.000 0.000 0.262 332 H C 0.382 175.832 175.328 0.204 0.000 1.333 332 H CA 0.055 56.266 56.048 0.273 0.000 1.499 332 H CB -0.103 29.852 29.762 0.323 0.000 1.609 332 H HN 0.354 nan 8.280 nan 0.000 0.498 333 T N -1.095 113.622 114.554 0.273 0.000 2.966 333 T HA -0.074 4.276 4.350 -0.000 0.000 0.254 333 T C 2.092 176.785 174.700 -0.010 0.000 0.961 333 T CA 0.263 62.361 62.100 -0.003 0.000 0.915 333 T CB -0.090 68.751 68.868 -0.045 0.000 1.186 333 T HN 0.467 nan 8.240 nan 0.000 0.505 334 S N 1.885 117.673 115.700 0.146 0.000 2.382 334 S HA 0.104 4.574 4.470 -0.000 0.000 0.228 334 S C 2.223 176.879 174.600 0.093 0.000 1.027 334 S CA 1.074 59.329 58.200 0.092 0.000 0.991 334 S CB -1.249 62.012 63.200 0.101 0.000 0.823 334 S HN 0.625 nan 8.310 nan 0.000 0.469 335 G N -0.245 108.686 108.800 0.219 0.000 2.920 335 G HA2 0.195 4.155 3.960 -0.000 0.000 0.208 335 G HA3 0.195 4.155 3.960 -0.000 0.000 0.208 335 G C 0.746 175.678 174.900 0.054 0.000 1.159 335 G CA 0.695 45.961 45.100 0.277 0.000 0.784 335 G HN 0.549 nan 8.290 nan 0.000 0.535 336 T N 1.115 115.470 114.554 -0.332 0.000 3.415 336 T HA 0.276 4.626 4.350 -0.000 0.000 0.282 336 T C 1.031 175.588 174.700 -0.238 0.000 1.007 336 T CA 0.182 62.014 62.100 -0.446 0.000 0.958 336 T CB -0.688 67.484 68.868 -1.161 0.000 1.171 336 T HN 0.296 nan 8.240 nan 0.000 0.500 337 T N 0.284 114.746 114.554 -0.153 0.000 2.855 337 T HA 0.126 4.476 4.350 -0.000 0.000 0.322 337 T C 1.863 176.478 174.700 -0.143 0.000 1.088 337 T CA -0.736 61.283 62.100 -0.135 0.000 1.104 337 T CB 0.369 69.179 68.868 -0.097 0.000 0.996 337 T HN 0.061 nan 8.240 nan 0.000 0.549 338 I N 1.239 121.726 120.570 -0.139 0.000 2.151 338 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 338 I C 2.268 178.304 176.117 -0.136 0.000 1.080 338 I CA 1.634 62.859 61.300 -0.125 0.000 1.339 338 I CB -1.320 36.614 38.000 -0.111 0.000 1.039 338 I HN 0.733 nan 8.210 nan 0.000 0.409 339 D N 0.976 121.308 120.400 -0.113 0.000 2.117 339 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 339 D C 2.241 178.468 176.300 -0.122 0.000 0.987 339 D CA 1.615 55.553 54.000 -0.102 0.000 0.829 339 D CB -0.021 40.736 40.800 -0.072 0.000 0.961 339 D HN 0.341 nan 8.370 nan 0.000 0.460 340 A N 1.149 123.899 122.820 -0.116 0.000 1.877 340 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 340 A C 2.188 179.545 177.584 -0.378 0.000 1.186 340 A CA 1.512 53.485 52.037 -0.106 0.000 0.620 340 A CB -0.712 18.302 19.000 0.024 0.000 0.822 340 A HN 0.206 nan 8.150 nan 0.000 0.443 341 Q N -0.390 119.073 119.800 -0.562 0.000 2.077 341 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 341 Q C 2.100 177.680 176.000 -0.699 0.000 0.989 341 Q CA 1.669 56.866 55.803 -1.011 0.000 0.853 341 Q CB -0.428 28.015 28.738 -0.492 0.000 0.907 341 Q HN 0.691 nan 8.270 nan 0.000 0.418 342 L N 0.116 121.120 121.223 -0.366 0.000 2.012 342 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 342 L C 2.550 179.290 176.870 -0.217 0.000 1.073 342 L CA 1.482 56.178 54.840 -0.240 0.000 0.748 342 L CB -0.366 41.600 42.059 -0.156 0.000 0.891 342 L HN 0.189 nan 8.230 nan 0.000 0.431 343 R N -0.831 119.555 120.500 -0.190 0.000 2.090 343 R HA -0.172 4.168 4.340 -0.000 0.000 0.228 343 R C 2.366 178.640 176.300 -0.043 0.000 1.110 343 R CA 1.697 57.738 56.100 -0.099 0.000 0.973 343 R CB -0.445 29.827 30.300 -0.048 0.000 0.869 343 R HN 0.492 nan 8.270 nan 0.000 0.440 344 Y N -0.875 119.401 120.300 -0.040 0.000 2.395 344 Y HA 0.256 4.806 4.550 -0.000 0.000 0.293 344 Y C 2.105 177.959 175.900 -0.076 0.000 1.123 344 Y CA -0.012 58.065 58.100 -0.037 0.000 1.227 344 Y CB -0.718 37.756 38.460 0.022 0.000 1.012 344 Y HN -0.088 nan 8.280 nan 0.000 0.552 345 A N 1.781 124.566 122.820 -0.057 0.000 1.858 345 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 345 A C 2.561 180.076 177.584 -0.116 0.000 1.190 345 A CA 2.235 54.221 52.037 -0.084 0.000 0.617 345 A CB -1.452 17.435 19.000 -0.187 0.000 0.827 345 A HN 0.635 nan 8.150 nan 0.000 0.443 346 A N -0.517 122.222 122.820 -0.134 0.000 1.908 346 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 346 A C 2.415 179.914 177.584 -0.142 0.000 1.181 346 A CA 2.079 54.025 52.037 -0.152 0.000 0.627 346 A CB -1.423 17.500 19.000 -0.128 0.000 0.818 346 A HN 0.780 nan 8.150 nan 0.000 0.445 347 G N -1.488 107.256 108.800 -0.093 0.000 2.408 347 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 347 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 347 G C 1.542 176.351 174.900 -0.153 0.000 1.150 347 G CA 1.598 46.636 45.100 -0.103 0.000 0.776 347 G HN 0.442 nan 8.290 nan 0.000 0.542 348 T N 0.144 114.630 114.554 -0.114 0.000 2.812 348 T HA -0.024 4.326 4.350 -0.000 0.000 0.264 348 T C 2.213 176.799 174.700 -0.190 0.000 1.042 348 T CA 1.356 63.374 62.100 -0.138 0.000 1.140 348 T CB -0.079 68.765 68.868 -0.039 0.000 0.870 348 T HN 0.348 nan 8.240 nan 0.000 0.445 349 K N 0.967 121.236 120.400 -0.219 0.000 2.026 349 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 349 K C 2.101 178.512 176.600 -0.315 0.000 1.048 349 K CA 1.977 58.051 56.287 -0.354 0.000 0.929 349 K CB -0.269 31.928 32.500 -0.505 0.000 0.713 349 K HN 0.237 nan 8.250 nan 0.000 0.439 350 D N 0.043 120.295 120.400 -0.248 0.000 2.133 350 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 350 D C 1.962 178.154 176.300 -0.180 0.000 0.997 350 D CA 1.630 55.526 54.000 -0.173 0.000 0.840 350 D CB 0.097 40.812 40.800 -0.141 0.000 0.947 350 D HN 0.235 nan 8.370 nan 0.000 0.452 351 M N -0.569 118.837 119.600 -0.324 0.000 2.200 351 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 351 M C 2.125 178.229 176.300 -0.327 0.000 1.066 351 M CA 0.678 55.634 55.300 -0.574 0.000 1.127 351 M CB -0.044 31.890 32.600 -1.109 0.000 1.379 351 M HN 0.149 nan 8.290 nan 0.000 0.420 352 L N -0.157 120.906 121.223 -0.267 0.000 2.012 352 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 352 L C 2.445 179.094 176.870 -0.368 0.000 1.073 352 L CA 1.527 56.156 54.840 -0.352 0.000 0.748 352 L CB -0.727 41.214 42.059 -0.197 0.000 0.891 352 L HN 0.366 nan 8.230 nan 0.000 0.431 353 E N 0.356 120.613 120.200 0.094 0.000 2.070 353 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 353 E C 2.378 179.094 176.600 0.194 0.000 1.004 353 E CA 1.436 58.023 56.400 0.311 0.000 0.805 353 E CB 0.067 29.975 29.700 0.347 0.000 0.744 353 E HN 0.374 nan 8.360 nan 0.000 0.451 354 R N -0.711 119.886 120.500 0.160 0.000 2.081 354 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 354 R C 2.454 178.918 176.300 0.274 0.000 1.131 354 R CA 1.519 57.759 56.100 0.233 0.000 0.960 354 R CB -0.586 29.910 30.300 0.327 0.000 0.856 354 R HN 0.350 nan 8.270 nan 0.000 0.436 355 Y N 0.955 121.352 120.300 0.161 0.000 2.181 355 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 355 Y C 1.800 177.765 175.900 0.108 0.000 1.146 355 Y CA 1.412 59.571 58.100 0.098 0.000 1.164 355 Y CB -0.501 37.976 38.460 0.029 0.000 0.982 355 Y HN -0.054 nan 8.280 nan 0.000 0.515 356 F N 0.263 120.220 119.950 0.011 0.000 2.216 356 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 356 F C 2.043 177.791 175.800 -0.086 0.000 1.085 356 F CA 1.150 59.085 58.000 -0.108 0.000 1.326 356 F CB -0.160 38.851 39.000 0.018 0.000 1.027 356 F HN -0.036 nan 8.300 nan 0.000 0.497 357 K N -0.098 120.403 120.400 0.167 0.000 2.404 357 K HA 0.170 4.490 4.320 -0.000 0.000 0.194 357 K C 1.185 177.812 176.600 0.045 0.000 1.023 357 K CA 0.496 56.842 56.287 0.099 0.000 1.094 357 K CB 0.341 32.913 32.500 0.120 0.000 0.841 357 K HN 0.276 nan 8.250 nan 0.000 0.523 358 G N 2.032 110.837 108.800 0.009 0.000 2.153 358 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 358 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 358 G C -0.491 174.420 174.900 0.018 0.000 0.994 358 G CA 0.157 45.249 45.100 -0.012 0.000 0.698 358 G HN 0.397 nan 8.290 nan 0.000 0.521 359 E N 0.658 120.895 120.200 0.062 0.000 2.231 359 E HA 0.425 4.775 4.350 -0.000 0.000 0.277 359 E C -0.516 176.132 176.600 0.080 0.000 0.999 359 E CA -1.028 55.418 56.400 0.076 0.000 0.827 359 E CB 0.981 30.745 29.700 0.107 0.000 1.101 359 E HN 0.191 nan 8.360 nan 0.000 0.393 360 D N 1.370 121.811 120.400 0.067 0.000 2.423 360 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 360 D C -0.214 176.230 176.300 0.240 0.000 1.142 360 D CA 0.358 54.409 54.000 0.085 0.000 0.884 360 D CB 0.341 41.213 40.800 0.119 0.000 1.199 360 D HN 0.142 nan 8.370 nan 0.000 0.438 361 F N 0.885 120.924 119.950 0.147 0.000 2.403 361 F HA 0.273 4.800 4.527 -0.000 0.000 0.320 361 F C -1.386 174.407 175.800 -0.011 0.000 1.176 361 F CA -2.675 55.266 58.000 -0.099 0.000 1.206 361 F CB -1.056 37.612 39.000 -0.553 0.000 1.235 361 F HN 0.033 nan 8.300 nan 0.000 0.565 362 P HA 0.004 nan 4.420 nan 0.000 0.266 362 P C 0.932 178.325 177.300 0.154 0.000 1.195 362 P CA 0.319 63.489 63.100 0.118 0.000 0.768 362 P CB 0.444 32.173 31.700 0.050 0.000 0.838 363 T N 1.334 116.008 114.554 0.200 0.000 2.759 363 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 363 T C 1.076 175.930 174.700 0.257 0.000 1.042 363 T CA 1.520 63.795 62.100 0.292 0.000 1.140 363 T CB -0.451 68.526 68.868 0.180 0.000 0.864 363 T HN 0.445 nan 8.240 nan 0.000 0.455 364 E N 0.305 120.591 120.200 0.142 0.000 2.502 364 E HA 0.030 4.380 4.350 -0.000 0.000 0.194 364 E C 1.484 178.131 176.600 0.079 0.000 1.062 364 E CA -0.025 56.442 56.400 0.112 0.000 0.867 364 E CB 0.023 29.772 29.700 0.082 0.000 0.888 364 E HN 0.445 nan 8.360 nan 0.000 0.510 365 N N -0.020 118.696 118.700 0.027 0.000 2.416 365 N HA -0.052 4.688 4.740 -0.000 0.000 0.177 365 N C -0.253 175.222 175.510 -0.059 0.000 1.036 365 N CA 0.520 53.531 53.050 -0.066 0.000 0.901 365 N CB 0.050 38.431 38.487 -0.176 0.000 0.976 365 N HN 0.184 nan 8.380 nan 0.000 0.444 366 Y N 0.388 120.752 120.300 0.107 0.000 2.402 366 Y HA 0.050 4.600 4.550 -0.000 0.000 0.333 366 Y C 1.434 177.346 175.900 0.021 0.000 1.076 366 Y CA -0.300 57.848 58.100 0.080 0.000 1.299 366 Y CB 0.774 39.270 38.460 0.061 0.000 1.197 366 Y HN -0.080 nan 8.280 nan 0.000 0.517 367 I N 2.348 122.991 120.570 0.122 0.000 3.445 367 I HA 0.080 4.250 4.170 -0.000 0.000 0.288 367 I C 0.049 176.135 176.117 -0.051 0.000 1.198 367 I CA 0.557 61.825 61.300 -0.055 0.000 1.417 367 I CB 0.171 38.020 38.000 -0.252 0.000 1.205 367 I HN 0.217 nan 8.210 nan 0.000 0.448 368 V N 1.969 121.891 119.914 0.014 0.000 2.525 368 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 368 V C -0.361 175.755 176.094 0.035 0.000 1.034 368 V CA -0.823 61.477 62.300 0.000 0.000 0.863 368 V CB 2.808 34.612 31.823 -0.031 0.000 0.999 368 V HN 0.152 nan 8.190 nan 0.000 0.423 369 K N 2.891 123.270 120.400 -0.035 0.000 2.535 369 K HA 0.377 4.697 4.320 -0.000 0.000 0.251 369 K C -0.962 175.563 176.600 -0.125 0.000 0.942 369 K CA -0.533 55.674 56.287 -0.134 0.000 0.798 369 K CB 1.561 33.822 32.500 -0.398 0.000 1.267 369 K HN 0.713 nan 8.250 nan 0.000 0.434 370 D N 3.029 123.364 120.400 -0.108 0.000 2.708 370 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 370 D C 0.627 176.896 176.300 -0.052 0.000 1.146 370 D CA 1.912 55.864 54.000 -0.080 0.000 0.662 370 D CB -1.137 39.604 40.800 -0.098 0.000 1.059 370 D HN 1.101 nan 8.370 nan 0.000 0.428 371 G N -0.377 108.399 108.800 -0.039 0.000 2.179 371 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 371 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 371 G C 0.036 174.924 174.900 -0.020 0.000 0.977 371 G CA 0.635 45.721 45.100 -0.024 0.000 0.641 371 G HN 0.509 nan 8.290 nan 0.000 0.533 372 E N -0.618 119.566 120.200 -0.026 0.000 2.212 372 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 372 E C -0.443 176.153 176.600 -0.007 0.000 0.902 372 E CA -1.006 55.386 56.400 -0.014 0.000 0.779 372 E CB 1.824 31.513 29.700 -0.018 0.000 1.172 372 E HN 0.087 nan 8.360 nan 0.000 0.409 373 L N 2.078 123.308 121.223 0.011 0.000 2.334 373 L HA 0.386 4.726 4.340 -0.000 0.000 0.277 373 L C 0.177 177.082 176.870 0.059 0.000 1.075 373 L CA -0.054 54.799 54.840 0.022 0.000 0.804 373 L CB 1.123 43.209 42.059 0.045 0.000 1.174 373 L HN 0.655 nan 8.230 nan 0.000 0.438 374 A N 5.580 128.445 122.820 0.075 0.000 2.520 374 A HA 0.252 4.572 4.320 -0.000 0.000 0.235 374 A C -1.422 176.264 177.584 0.170 0.000 1.065 374 A CA -0.591 51.524 52.037 0.130 0.000 0.764 374 A CB -0.503 18.598 19.000 0.170 0.000 1.002 374 A HN 0.726 nan 8.150 nan 0.000 0.502 375 P HA -0.252 nan 4.420 nan 0.000 0.216 375 P C 1.265 178.629 177.300 0.108 0.000 1.153 375 P CA 1.698 64.858 63.100 0.101 0.000 0.858 375 P CB -0.057 31.686 31.700 0.072 0.000 0.789 376 Q N -0.862 119.011 119.800 0.121 0.000 2.437 376 Q HA -0.167 4.173 4.340 -0.000 0.000 0.210 376 Q C 1.247 177.212 176.000 -0.058 0.000 0.972 376 Q CA 1.454 57.281 55.803 0.040 0.000 0.903 376 Q CB -1.090 27.659 28.738 0.018 0.000 0.967 376 Q HN 0.318 nan 8.270 nan 0.000 0.486 377 Y N 0.751 121.077 120.300 0.044 0.000 2.482 377 Y HA 0.261 4.811 4.550 -0.000 0.000 0.270 377 Y C 1.208 177.131 175.900 0.038 0.000 1.152 377 Y CA -0.179 57.947 58.100 0.042 0.000 1.292 377 Y CB 0.526 39.010 38.460 0.038 0.000 1.070 377 Y HN 0.012 nan 8.280 nan 0.000 0.528 378 R N 0.000 120.582 120.500 0.137 0.000 2.786 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 378 R CA 0.000 56.157 56.100 0.094 0.000 0.921 378 R CB 0.000 30.348 30.300 0.080 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535