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 2vsx_1_B DATA FIRST_RESID 12 DATA SEQUENCE QIQTNYDKVV YKFDDMELDE NLLRGVFGYG FEEPSAIQQR AIMPIIEGHD DATA SEQUENCE VLAQAQSGTG KTGTFSIAAL QRIDTSVKAP QALMLAPTRE LALQIQKVVM DATA SEQUENCE ALAFHMDIKV HACIXXXXXX XXXXGLRDAQ IVVGTPGRVF DNIQRRRFRT DATA SEQUENCE DKIKMFILDE ADEMLSSGFK EQIYQIFTLL PPTTQVVLLS ATMPNDVLEV DATA SEQUENCE TTKFMRNPVR ILVKKDELTL EGIKQFYVNV EEEEYKYECL TDLYDSISVT DATA SEQUENCE QAVIFCNTRR KVEELTTKLR NDKFTVSAIY SDLPQQERDT IMKEFRSGSS DATA SEQUENCE RILISTDLLA RGIDVQQVSL VINYDLPANK ENYIHRIGRX XXXXXKGVAI DATA SEQUENCE NFVTNEDVGA MRELEKFYST QIEELPSDIA TL 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 176.008 176.000 0.013 0.000 1.003 12 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 12 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 13 I N -1.428 119.150 120.570 0.013 0.000 2.713 13 I HA 0.893 5.043 4.170 -0.034 0.000 0.300 13 I C 0.323 176.448 176.117 0.013 0.000 1.009 13 I CA -0.496 60.811 61.300 0.012 0.000 1.305 13 I CB 1.483 39.489 38.000 0.011 0.000 1.430 13 I HN 0.861 nan 8.210 nan 0.000 0.546 14 Q N 3.200 123.007 119.800 0.012 0.000 2.230 14 Q HA 0.420 4.740 4.340 -0.034 0.000 0.253 14 Q C -0.060 175.951 176.000 0.018 0.000 0.919 14 Q CA -0.682 55.129 55.803 0.014 0.000 0.908 14 Q CB 1.297 30.042 28.738 0.012 0.000 1.245 14 Q HN 0.793 nan 8.270 nan 0.000 0.437 15 T N 1.370 115.936 114.554 0.020 0.000 2.918 15 T HA 0.343 4.672 4.350 -0.034 0.000 0.302 15 T C 0.421 175.142 174.700 0.035 0.000 1.045 15 T CA 0.611 62.729 62.100 0.030 0.000 1.114 15 T CB 0.080 68.965 68.868 0.028 0.000 0.965 15 T HN 0.919 nan 8.240 nan 0.000 0.540 16 N N 2.656 121.392 118.700 0.059 0.000 2.301 16 N HA 0.052 4.771 4.740 -0.034 0.000 0.247 16 N C -1.268 174.313 175.510 0.119 0.000 1.347 16 N CA -0.465 52.622 53.050 0.063 0.000 0.844 16 N CB -0.251 38.266 38.487 0.051 0.000 1.332 16 N HN 0.516 nan 8.380 nan 0.000 0.494 17 Y N 0.932 121.205 120.300 -0.044 0.000 2.333 17 Y HA 0.433 4.963 4.550 -0.033 0.000 0.324 17 Y C -1.527 174.338 175.900 -0.059 0.000 1.033 17 Y CA -1.032 57.030 58.100 -0.063 0.000 1.224 17 Y CB 1.227 39.636 38.460 -0.086 0.000 1.120 17 Y HN -0.079 nan 8.280 nan 0.000 0.457 18 D N 6.589 126.771 120.400 -0.363 0.000 2.622 18 D HA 0.266 4.885 4.640 -0.034 0.000 0.262 18 D C -0.910 175.144 176.300 -0.411 0.000 1.189 18 D CA -0.011 53.819 54.000 -0.284 0.000 0.985 18 D CB 0.433 41.138 40.800 -0.158 0.000 0.994 18 D HN 0.441 nan 8.370 nan 0.000 0.513 19 K N 0.688 120.780 120.400 -0.514 0.000 2.690 19 K HA 0.368 4.668 4.320 -0.034 0.000 0.243 19 K C -1.079 175.402 176.600 -0.199 0.000 0.982 19 K CA -0.613 55.443 56.287 -0.385 0.000 0.955 19 K CB 2.468 34.634 32.500 -0.557 0.000 1.185 19 K HN -0.085 nan 8.250 nan 0.000 0.467 20 V N 3.377 123.172 119.914 -0.199 0.000 2.370 20 V HA 0.313 4.412 4.120 -0.034 0.000 0.283 20 V C -0.179 175.686 176.094 -0.383 0.000 1.023 20 V CA -0.892 61.213 62.300 -0.325 0.000 0.857 20 V CB 1.643 33.178 31.823 -0.481 0.000 0.985 20 V HN 0.389 nan 8.190 nan 0.000 0.443 21 V N 5.937 125.654 119.914 -0.329 0.000 2.347 21 V HA 0.300 4.399 4.120 -0.034 0.000 0.280 21 V C 0.083 175.996 176.094 -0.301 0.000 1.021 21 V CA -0.315 61.859 62.300 -0.211 0.000 0.847 21 V CB 0.936 32.709 31.823 -0.085 0.000 0.990 21 V HN 0.845 nan 8.190 nan 0.000 0.444 22 Y N 2.421 122.670 120.300 -0.085 0.000 2.397 22 Y HA 0.215 4.745 4.550 -0.034 0.000 0.292 22 Y C 1.186 176.987 175.900 -0.165 0.000 1.115 22 Y CA 0.418 58.452 58.100 -0.111 0.000 1.208 22 Y CB 0.313 38.734 38.460 -0.065 0.000 1.046 22 Y HN 0.394 nan 8.280 nan 0.000 0.552 23 K N -0.209 120.207 120.400 0.027 0.000 2.259 23 K HA 0.244 4.543 4.320 -0.034 0.000 0.252 23 K C -0.245 176.333 176.600 -0.037 0.000 0.936 23 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 23 K CB 1.158 33.718 32.500 0.100 0.000 1.143 23 K HN -0.052 nan 8.250 nan 0.000 0.427 24 F N 1.182 121.200 119.950 0.112 0.000 2.250 24 F HA -0.227 4.279 4.527 -0.034 0.000 0.301 24 F C 1.466 177.314 175.800 0.080 0.000 1.077 24 F CA 1.045 59.075 58.000 0.051 0.000 1.348 24 F CB 0.050 39.024 39.000 -0.043 0.000 1.040 24 F HN 0.598 nan 8.300 nan 0.000 0.509 25 D N -0.239 120.349 120.400 0.313 0.000 2.263 25 D HA -0.132 4.487 4.640 -0.034 0.000 0.208 25 D C 1.082 177.471 176.300 0.149 0.000 0.971 25 D CA 1.095 55.235 54.000 0.232 0.000 0.867 25 D CB -0.430 40.497 40.800 0.212 0.000 0.929 25 D HN 0.331 nan 8.370 nan 0.000 0.492 26 D N -0.574 119.900 120.400 0.124 0.000 2.358 26 D HA 0.122 4.742 4.640 -0.034 0.000 0.224 26 D C 1.251 177.597 176.300 0.078 0.000 1.123 26 D CA 0.025 54.078 54.000 0.089 0.000 0.833 26 D CB 0.123 40.971 40.800 0.079 0.000 0.946 26 D HN 0.263 nan 8.370 nan 0.000 0.505 27 M N -0.404 119.253 119.600 0.095 0.000 2.371 27 M HA 0.089 4.549 4.480 -0.034 0.000 0.246 27 M C -0.141 176.206 176.300 0.077 0.000 1.103 27 M CA 0.119 55.471 55.300 0.085 0.000 1.010 27 M CB 0.343 33.011 32.600 0.113 0.000 1.457 27 M HN -0.146 nan 8.290 nan 0.000 0.486 28 E N 0.978 121.224 120.200 0.076 0.000 2.539 28 E HA -0.198 4.131 4.350 -0.034 0.000 0.253 28 E C -0.587 176.047 176.600 0.055 0.000 1.145 28 E CA 0.125 56.563 56.400 0.063 0.000 0.738 28 E CB -2.176 27.556 29.700 0.055 0.000 1.308 28 E HN 0.541 nan 8.360 nan 0.000 0.409 29 L N 0.636 121.894 121.223 0.057 0.000 2.472 29 L HA 0.192 4.511 4.340 -0.034 0.000 0.260 29 L C 0.923 177.811 176.870 0.030 0.000 1.209 29 L CA -0.377 54.485 54.840 0.036 0.000 0.817 29 L CB 0.288 42.356 42.059 0.017 0.000 1.106 29 L HN -0.064 nan 8.230 nan 0.000 0.479 30 D N 0.287 120.698 120.400 0.018 0.000 2.341 30 D HA 0.056 4.675 4.640 -0.034 0.000 0.245 30 D C 0.936 177.243 176.300 0.013 0.000 1.106 30 D CA -0.211 53.800 54.000 0.019 0.000 0.905 30 D CB 1.130 41.940 40.800 0.017 0.000 1.202 30 D HN 0.469 nan 8.370 nan 0.000 0.426 31 E N 1.106 121.318 120.200 0.020 0.000 2.070 31 E HA -0.236 4.093 4.350 -0.034 0.000 0.197 31 E C 1.182 177.778 176.600 -0.006 0.000 1.004 31 E CA 1.072 57.481 56.400 0.016 0.000 0.805 31 E CB 0.041 29.751 29.700 0.017 0.000 0.744 31 E HN 0.347 nan 8.360 nan 0.000 0.451 32 N N 0.777 119.481 118.700 0.008 0.000 2.149 32 N HA -0.167 4.552 4.740 -0.034 0.000 0.188 32 N C 1.794 177.331 175.510 0.044 0.000 1.019 32 N CA 0.741 53.812 53.050 0.034 0.000 0.857 32 N CB -0.319 38.209 38.487 0.069 0.000 0.997 32 N HN 0.117 nan 8.380 nan 0.000 0.426 33 L N 0.183 121.413 121.223 0.010 0.000 2.072 33 L HA 0.090 4.410 4.340 -0.034 0.000 0.205 33 L C 1.881 178.696 176.870 -0.092 0.000 1.079 33 L CA 1.132 55.960 54.840 -0.021 0.000 0.752 33 L CB -0.795 41.247 42.059 -0.028 0.000 0.906 33 L HN 0.044 nan 8.230 nan 0.000 0.436 34 L N -0.214 120.947 121.223 -0.104 0.000 2.131 34 L HA -0.143 4.176 4.340 -0.034 0.000 0.210 34 L C 2.663 179.423 176.870 -0.184 0.000 1.092 34 L CA 1.632 56.344 54.840 -0.213 0.000 0.759 34 L CB -0.621 41.402 42.059 -0.061 0.000 0.903 34 L HN 0.260 nan 8.230 nan 0.000 0.435 35 R N -1.158 119.309 120.500 -0.054 0.000 2.115 35 R HA -0.057 4.262 4.340 -0.034 0.000 0.230 35 R C 2.176 178.492 176.300 0.026 0.000 1.111 35 R CA 0.989 57.056 56.100 -0.055 0.000 0.976 35 R CB -0.714 29.356 30.300 -0.383 0.000 0.870 35 R HN 0.543 nan 8.270 nan 0.000 0.445 36 G N 0.387 109.237 108.800 0.084 0.000 2.404 36 G HA2 -0.237 3.703 3.960 -0.034 0.000 0.215 36 G HA3 -0.237 3.703 3.960 -0.034 0.000 0.215 36 G C 1.389 176.280 174.900 -0.015 0.000 1.174 36 G CA 0.768 45.962 45.100 0.156 0.000 0.780 36 G HN 0.274 nan 8.290 nan 0.000 0.537 37 V N -0.122 119.685 119.914 -0.178 0.000 2.307 37 V HA -0.061 4.039 4.120 -0.034 0.000 0.245 37 V C 2.472 178.455 176.094 -0.184 0.000 1.045 37 V CA 1.911 64.053 62.300 -0.263 0.000 1.024 37 V CB -0.545 30.937 31.823 -0.568 0.000 0.651 37 V HN 0.385 nan 8.190 nan 0.000 0.449 38 F N 1.649 121.552 119.950 -0.078 0.000 2.075 38 F HA 0.033 4.540 4.527 -0.033 0.000 0.297 38 F C 2.396 178.177 175.800 -0.032 0.000 1.113 38 F CA 1.136 59.114 58.000 -0.037 0.000 1.218 38 F CB -0.890 38.095 39.000 -0.025 0.000 0.984 38 F HN 0.345 nan 8.300 nan 0.000 0.472 39 G N -2.333 106.574 108.800 0.178 0.000 3.186 39 G HA2 -0.212 3.727 3.960 -0.034 0.000 0.214 39 G HA3 -0.212 3.727 3.960 -0.034 0.000 0.214 39 G C 0.620 175.541 174.900 0.035 0.000 1.222 39 G CA 0.179 45.338 45.100 0.098 0.000 0.921 39 G HN 0.468 nan 8.290 nan 0.000 0.504 40 Y N -0.976 119.215 120.300 -0.182 0.000 2.423 40 Y HA 0.393 4.924 4.550 -0.033 0.000 0.257 40 Y C 1.735 177.392 175.900 -0.404 0.000 1.087 40 Y CA 0.573 58.470 58.100 -0.338 0.000 1.258 40 Y CB 1.089 39.249 38.460 -0.500 0.000 1.237 40 Y HN 0.207 nan 8.280 nan 0.000 0.517 41 G N -0.323 108.311 108.800 -0.276 0.000 2.699 41 G HA2 -0.201 3.738 3.960 -0.034 0.000 0.198 41 G HA3 -0.201 3.738 3.960 -0.034 0.000 0.198 41 G C -0.240 174.687 174.900 0.046 0.000 1.033 41 G CA -0.280 44.693 45.100 -0.212 0.000 0.728 41 G HN 0.012 nan 8.290 nan 0.000 0.484 42 F N 2.666 122.699 119.950 0.138 0.000 2.602 42 F HA 0.459 4.965 4.527 -0.035 0.000 0.385 42 F C 1.493 177.467 175.800 0.290 0.000 1.063 42 F CA 0.469 58.574 58.000 0.174 0.000 1.233 42 F CB 0.573 39.603 39.000 0.051 0.000 1.067 42 F HN 0.307 nan 8.300 nan 0.000 0.564 43 E N 0.907 121.448 120.200 0.568 0.000 2.391 43 E HA 0.121 4.450 4.350 -0.034 0.000 0.206 43 E C -0.253 176.731 176.600 0.639 0.000 0.851 43 E CA 0.109 56.846 56.400 0.563 0.000 1.059 43 E CB 0.662 30.544 29.700 0.304 0.000 1.065 43 E HN 0.604 nan 8.360 nan 0.000 0.512 44 E N 1.408 121.909 120.200 0.502 0.000 2.292 44 E HA 0.303 4.632 4.350 -0.034 0.000 0.272 44 E C -2.763 173.840 176.600 0.005 0.000 0.881 44 E CA -2.340 54.187 56.400 0.211 0.000 0.754 44 E CB 2.340 32.107 29.700 0.111 0.000 1.201 44 E HN -0.130 nan 8.360 nan 0.000 0.425 45 P HA -0.049 nan 4.420 nan 0.000 0.268 45 P C -0.346 176.830 177.300 -0.207 0.000 1.204 45 P CA 0.061 62.827 63.100 -0.558 0.000 0.768 45 P CB 0.591 31.795 31.700 -0.826 0.000 0.842 46 S N 2.218 117.840 115.700 -0.130 0.000 2.641 46 S HA 0.412 4.862 4.470 -0.034 0.000 0.261 46 S C 1.560 176.104 174.600 -0.093 0.000 1.257 46 S CA -0.062 58.088 58.200 -0.083 0.000 0.983 46 S CB 0.158 63.314 63.200 -0.073 0.000 0.990 46 S HN 0.459 nan 8.310 nan 0.000 0.572 47 A N 1.025 123.810 122.820 -0.059 0.000 1.870 47 A HA -0.144 4.156 4.320 -0.034 0.000 0.219 47 A C 2.109 179.652 177.584 -0.068 0.000 1.224 47 A CA 2.125 54.128 52.037 -0.057 0.000 0.650 47 A CB -1.513 17.471 19.000 -0.027 0.000 0.836 47 A HN 0.830 nan 8.150 nan 0.000 0.454 48 I N -0.679 119.860 120.570 -0.052 0.000 2.118 48 I HA -0.375 3.775 4.170 -0.034 0.000 0.241 48 I C 2.818 178.898 176.117 -0.061 0.000 1.070 48 I CA 2.062 63.336 61.300 -0.043 0.000 1.327 48 I CB -0.773 37.209 38.000 -0.030 0.000 1.034 48 I HN 0.479 nan 8.210 nan 0.000 0.405 49 Q N 0.314 120.064 119.800 -0.084 0.000 2.234 49 Q HA -0.265 4.055 4.340 -0.034 0.000 0.206 49 Q C 2.154 178.081 176.000 -0.120 0.000 0.980 49 Q CA 1.314 57.063 55.803 -0.089 0.000 0.869 49 Q CB -0.204 28.477 28.738 -0.095 0.000 0.912 49 Q HN 0.607 nan 8.270 nan 0.000 0.436 50 Q N -0.282 119.423 119.800 -0.159 0.000 2.297 50 Q HA -0.057 4.262 4.340 -0.034 0.000 0.204 50 Q C 1.509 177.418 176.000 -0.152 0.000 0.962 50 Q CA 0.818 56.492 55.803 -0.214 0.000 0.879 50 Q CB 0.253 28.819 28.738 -0.286 0.000 0.947 50 Q HN 0.264 nan 8.270 nan 0.000 0.462 51 R N -1.694 118.759 120.500 -0.077 0.000 2.342 51 R HA 0.228 4.547 4.340 -0.034 0.000 0.204 51 R C 1.510 177.837 176.300 0.045 0.000 0.882 51 R CA 0.626 56.731 56.100 0.009 0.000 1.041 51 R CB 0.520 30.828 30.300 0.015 0.000 1.188 51 R HN 0.038 nan 8.270 nan 0.000 0.598 52 A N 0.576 123.390 122.820 -0.010 0.000 2.035 52 A HA 0.167 4.466 4.320 -0.034 0.000 0.208 52 A C 1.851 179.421 177.584 -0.023 0.000 1.206 52 A CA 0.148 52.165 52.037 -0.033 0.000 0.773 52 A CB -0.004 18.985 19.000 -0.018 0.000 0.878 52 A HN 0.051 nan 8.150 nan 0.000 0.469 53 I N -0.197 120.371 120.570 -0.005 0.000 2.163 53 I HA -0.301 3.849 4.170 -0.034 0.000 0.243 53 I C 2.594 178.727 176.117 0.026 0.000 1.085 53 I CA 1.332 62.642 61.300 0.016 0.000 1.347 53 I CB -0.363 37.654 38.000 0.030 0.000 1.044 53 I HN 0.258 nan 8.210 nan 0.000 0.408 54 M N 0.409 120.029 119.600 0.033 0.000 2.067 54 M HA -0.100 4.359 4.480 -0.034 0.000 0.260 54 M C -0.224 176.106 176.300 0.051 0.000 1.069 54 M CA 1.972 57.307 55.300 0.058 0.000 1.117 54 M CB -2.539 30.114 32.600 0.088 0.000 1.334 54 M HN 0.079 nan 8.290 nan 0.000 0.407 55 P HA -0.138 nan 4.420 nan 0.000 0.215 55 P C 1.901 179.216 177.300 0.026 0.000 1.153 55 P CA 1.516 64.536 63.100 -0.134 0.000 0.853 55 P CB -0.219 31.124 31.700 -0.596 0.000 0.788 56 I N -0.384 120.185 120.570 -0.002 0.000 2.163 56 I HA -0.231 3.918 4.170 -0.034 0.000 0.243 56 I C 2.661 178.812 176.117 0.055 0.000 1.085 56 I CA 1.519 62.839 61.300 0.034 0.000 1.347 56 I CB -0.694 37.327 38.000 0.036 0.000 1.044 56 I HN -0.161 nan 8.210 nan 0.000 0.408 57 I N 0.633 121.237 120.570 0.057 0.000 2.361 57 I HA -0.263 3.887 4.170 -0.034 0.000 0.251 57 I C 2.024 178.180 176.117 0.065 0.000 1.133 57 I CA 1.478 62.812 61.300 0.057 0.000 1.413 57 I CB -0.424 37.610 38.000 0.056 0.000 1.073 57 I HN 0.281 nan 8.210 nan 0.000 0.424 58 E N 0.414 120.676 120.200 0.103 0.000 2.482 58 E HA 0.013 4.343 4.350 -0.034 0.000 0.196 58 E C 1.475 178.097 176.600 0.037 0.000 1.047 58 E CA 0.564 57.038 56.400 0.123 0.000 0.869 58 E CB 0.156 30.008 29.700 0.253 0.000 0.836 58 E HN 0.623 nan 8.360 nan 0.000 0.520 59 G N 1.045 109.861 108.800 0.027 0.000 2.179 59 G HA2 -0.231 3.708 3.960 -0.034 0.000 0.220 59 G HA3 -0.231 3.708 3.960 -0.034 0.000 0.220 59 G C -0.146 174.700 174.900 -0.091 0.000 0.990 59 G CA -0.142 44.929 45.100 -0.049 0.000 0.646 59 G HN 0.346 nan 8.290 nan 0.000 0.517 60 H N 1.106 120.159 119.070 -0.029 0.000 2.690 60 H HA 0.461 4.997 4.556 -0.034 0.000 0.365 60 H C -0.017 175.284 175.328 -0.046 0.000 1.142 60 H CA 0.311 56.330 56.048 -0.048 0.000 1.417 60 H CB 0.571 30.268 29.762 -0.109 0.000 1.446 60 H HN 0.127 nan 8.280 nan 0.000 0.599 61 D N 1.099 121.551 120.400 0.087 0.000 2.351 61 D HA 0.198 4.817 4.640 -0.034 0.000 0.251 61 D C -0.692 175.615 176.300 0.012 0.000 1.137 61 D CA -0.045 53.982 54.000 0.044 0.000 0.879 61 D CB 0.937 41.762 40.800 0.042 0.000 1.181 61 D HN 0.103 nan 8.370 nan 0.000 0.448 62 V N 3.461 123.368 119.914 -0.013 0.000 2.444 62 V HA 0.268 4.368 4.120 -0.034 0.000 0.294 62 V C -0.551 175.522 176.094 -0.035 0.000 1.022 62 V CA -0.911 61.361 62.300 -0.046 0.000 0.850 62 V CB 1.739 33.525 31.823 -0.061 0.000 0.992 62 V HN 0.302 nan 8.190 nan 0.000 0.426 63 L N 5.443 126.647 121.223 -0.032 0.000 2.283 63 L HA 0.847 5.167 4.340 -0.034 0.000 0.281 63 L C 0.247 177.108 176.870 -0.015 0.000 1.033 63 L CA -0.158 54.670 54.840 -0.020 0.000 0.848 63 L CB 0.875 42.928 42.059 -0.010 0.000 1.226 63 L HN 0.726 nan 8.230 nan 0.000 0.429 64 A N 4.849 127.662 122.820 -0.010 0.000 2.273 64 A HA 0.488 4.787 4.320 -0.034 0.000 0.315 64 A C -0.398 177.191 177.584 0.009 0.000 1.256 64 A CA -0.518 51.520 52.037 0.001 0.000 0.851 64 A CB 0.573 19.579 19.000 0.010 0.000 1.172 64 A HN 0.709 nan 8.150 nan 0.000 0.508 65 Q N 2.214 122.020 119.800 0.011 0.000 2.406 65 Q HA 0.568 4.887 4.340 -0.034 0.000 0.242 65 Q C -0.510 175.501 176.000 0.019 0.000 1.036 65 Q CA -0.167 55.645 55.803 0.015 0.000 0.904 65 Q CB 0.543 29.290 28.738 0.015 0.000 1.244 65 Q HN 0.890 nan 8.270 nan 0.000 0.478 66 A N 3.931 126.765 122.820 0.024 0.000 2.515 66 A HA 0.517 4.817 4.320 -0.034 0.000 0.298 66 A C -1.086 176.516 177.584 0.031 0.000 1.059 66 A CA -0.889 51.164 52.037 0.027 0.000 0.698 66 A CB 1.726 20.744 19.000 0.029 0.000 1.289 66 A HN 0.673 nan 8.150 nan 0.000 0.404 67 Q N 0.507 120.325 119.800 0.030 0.000 2.318 67 Q HA 0.454 4.774 4.340 -0.034 0.000 0.222 67 Q C 0.074 176.097 176.000 0.037 0.000 1.003 67 Q CA -0.277 55.545 55.803 0.033 0.000 0.936 67 Q CB 0.636 29.392 28.738 0.031 0.000 1.204 67 Q HN 0.675 nan 8.270 nan 0.000 0.524 68 S N -0.227 115.496 115.700 0.039 0.000 2.576 68 S HA 0.418 4.867 4.470 -0.034 0.000 0.276 68 S C 0.736 175.361 174.600 0.041 0.000 1.339 68 S CA 0.325 58.551 58.200 0.044 0.000 1.039 68 S CB 0.467 63.694 63.200 0.045 0.000 0.902 68 S HN 0.827 nan 8.310 nan 0.000 0.516 69 G N 1.480 110.306 108.800 0.044 0.000 2.182 69 G HA2 -0.247 3.692 3.960 -0.034 0.000 0.248 69 G HA3 -0.247 3.692 3.960 -0.034 0.000 0.248 69 G C 0.434 175.354 174.900 0.033 0.000 1.042 69 G CA 0.396 45.522 45.100 0.044 0.000 0.775 69 G HN 0.920 nan 8.290 nan 0.000 0.501 70 T N -3.667 110.900 114.554 0.021 0.000 2.975 70 T HA 0.501 4.830 4.350 -0.034 0.000 0.257 70 T C 1.900 176.584 174.700 -0.025 0.000 1.003 70 T CA 1.297 63.400 62.100 0.005 0.000 0.932 70 T CB 0.988 69.861 68.868 0.009 0.000 1.087 70 T HN 2.098 nan 8.240 nan 0.000 0.512 71 G N 1.662 110.440 108.800 -0.037 0.000 2.151 71 G HA2 -0.200 3.740 3.960 -0.034 0.000 0.156 71 G HA3 -0.200 3.740 3.960 -0.034 0.000 0.156 71 G C 0.602 175.432 174.900 -0.117 0.000 1.017 71 G CA 0.172 45.207 45.100 -0.109 0.000 0.686 71 G HN 0.459 nan 8.290 nan 0.000 0.503 72 K N -0.270 120.101 120.400 -0.048 0.000 2.009 72 K HA -0.071 4.228 4.320 -0.034 0.000 0.210 72 K C 2.656 179.137 176.600 -0.199 0.000 1.049 72 K CA 2.088 58.376 56.287 0.001 0.000 0.929 72 K CB -0.282 32.289 32.500 0.118 0.000 0.714 72 K HN 0.335 nan 8.250 nan 0.000 0.440 73 T N 0.081 114.477 114.554 -0.263 0.000 2.746 73 T HA -0.128 4.202 4.350 -0.034 0.000 0.267 73 T C 1.919 176.125 174.700 -0.823 0.000 1.039 73 T CA 1.475 63.159 62.100 -0.693 0.000 1.142 73 T CB -0.549 68.193 68.868 -0.210 0.000 0.866 73 T HN 0.493 nan 8.240 nan 0.000 0.444 74 G N 0.904 109.454 108.800 -0.418 0.000 2.422 74 G HA2 -0.182 3.757 3.960 -0.034 0.000 0.218 74 G HA3 -0.182 3.757 3.960 -0.034 0.000 0.218 74 G C 1.686 176.384 174.900 -0.335 0.000 1.140 74 G CA 1.292 46.188 45.100 -0.341 0.000 0.775 74 G HN 0.431 nan 8.290 nan 0.000 0.545 75 T N 1.552 115.915 114.554 -0.318 0.000 2.643 75 T HA -0.151 4.179 4.350 -0.034 0.000 0.264 75 T C 2.039 176.674 174.700 -0.107 0.000 1.045 75 T CA 1.694 63.699 62.100 -0.158 0.000 1.155 75 T CB -0.397 68.434 68.868 -0.063 0.000 0.863 75 T HN 0.494 nan 8.240 nan 0.000 0.420 76 F N 1.204 121.136 119.950 -0.029 0.000 2.456 76 F HA 0.279 4.785 4.527 -0.035 0.000 0.298 76 F C 2.339 178.126 175.800 -0.022 0.000 1.104 76 F CA 0.130 58.114 58.000 -0.027 0.000 1.435 76 F CB -1.034 37.944 39.000 -0.037 0.000 1.078 76 F HN -0.030 nan 8.300 nan 0.000 0.546 77 S N 1.549 117.059 115.700 -0.316 0.000 2.371 77 S HA -0.025 4.424 4.470 -0.034 0.000 0.224 77 S C 2.108 176.668 174.600 -0.068 0.000 1.029 77 S CA 1.389 59.505 58.200 -0.140 0.000 0.978 77 S CB -0.480 62.559 63.200 -0.270 0.000 0.833 77 S HN 0.415 nan 8.310 nan 0.000 0.466 78 I N 1.694 122.207 120.570 -0.094 0.000 2.179 78 I HA -0.191 3.958 4.170 -0.034 0.000 0.242 78 I C 2.703 178.815 176.117 -0.008 0.000 1.088 78 I CA 1.151 62.418 61.300 -0.055 0.000 1.357 78 I CB -0.502 37.465 38.000 -0.055 0.000 1.051 78 I HN 0.263 nan 8.210 nan 0.000 0.409 79 A N 0.720 123.550 122.820 0.017 0.000 1.933 79 A HA -0.110 4.189 4.320 -0.034 0.000 0.218 79 A C 2.522 180.136 177.584 0.049 0.000 1.175 79 A CA 1.728 53.790 52.037 0.041 0.000 0.628 79 A CB -0.677 18.357 19.000 0.056 0.000 0.814 79 A HN 0.436 nan 8.150 nan 0.000 0.444 80 A N -0.012 122.847 122.820 0.065 0.000 1.855 80 A HA -0.025 4.274 4.320 -0.034 0.000 0.215 80 A C 2.142 179.751 177.584 0.042 0.000 1.191 80 A CA 1.442 53.520 52.037 0.068 0.000 0.613 80 A CB -0.720 18.342 19.000 0.103 0.000 0.829 80 A HN 0.453 nan 8.150 nan 0.000 0.442 81 L N -0.789 120.450 121.223 0.026 0.000 2.043 81 L HA -0.286 4.033 4.340 -0.034 0.000 0.212 81 L C 2.868 179.746 176.870 0.014 0.000 1.075 81 L CA 1.859 56.707 54.840 0.013 0.000 0.752 81 L CB -0.535 41.521 42.059 -0.005 0.000 0.891 81 L HN 0.518 nan 8.230 nan 0.000 0.432 82 Q N 0.136 119.946 119.800 0.015 0.000 2.135 82 Q HA -0.193 4.127 4.340 -0.034 0.000 0.204 82 Q C 2.177 178.191 176.000 0.024 0.000 0.981 82 Q CA 1.605 57.419 55.803 0.019 0.000 0.856 82 Q CB -0.018 28.734 28.738 0.024 0.000 0.902 82 Q HN 0.204 nan 8.270 nan 0.000 0.425 83 R N -0.221 120.296 120.500 0.028 0.000 2.275 83 R HA 0.114 4.433 4.340 -0.034 0.000 0.199 83 R C 0.127 176.442 176.300 0.025 0.000 0.989 83 R CA -0.016 56.102 56.100 0.029 0.000 1.016 83 R CB -0.027 30.293 30.300 0.034 0.000 0.918 83 R HN 0.277 nan 8.270 nan 0.000 0.473 84 I N 2.266 122.850 120.570 0.024 0.000 2.648 84 I HA -0.080 4.070 4.170 -0.034 0.000 0.284 84 I C 0.364 176.490 176.117 0.016 0.000 1.153 84 I CA -0.218 61.094 61.300 0.020 0.000 1.426 84 I CB 0.310 38.320 38.000 0.018 0.000 1.381 84 I HN -0.129 nan 8.210 nan 0.000 0.571 85 D N 4.806 125.215 120.400 0.014 0.000 2.396 85 D HA 0.156 4.775 4.640 -0.034 0.000 0.225 85 D C 1.026 177.330 176.300 0.008 0.000 1.121 85 D CA -0.248 53.759 54.000 0.011 0.000 0.853 85 D CB 0.974 41.781 40.800 0.011 0.000 1.043 85 D HN 0.476 nan 8.370 nan 0.000 0.500 86 T N 1.273 115.831 114.554 0.006 0.000 2.897 86 T HA -0.168 4.161 4.350 -0.034 0.000 0.271 86 T C 1.808 176.508 174.700 0.001 0.000 1.084 86 T CA 1.333 63.434 62.100 0.002 0.000 1.123 86 T CB 0.043 68.912 68.868 0.002 0.000 0.865 86 T HN 0.374 nan 8.240 nan 0.000 0.496 87 S N 0.442 116.143 115.700 0.002 0.000 2.345 87 S HA -0.022 4.428 4.470 -0.034 0.000 0.220 87 S C 0.928 175.528 174.600 0.000 0.000 1.031 87 S CA 0.329 58.530 58.200 0.001 0.000 0.996 87 S CB -0.285 62.916 63.200 0.002 0.000 0.882 87 S HN 0.258 nan 8.310 nan 0.000 0.445 88 V N 3.768 123.683 119.914 0.002 0.000 2.485 88 V HA 0.149 4.248 4.120 -0.034 0.000 0.287 88 V C 0.363 176.458 176.094 0.002 0.000 1.022 88 V CA 0.142 62.444 62.300 0.003 0.000 1.067 88 V CB 0.852 32.678 31.823 0.006 0.000 0.967 88 V HN 0.296 nan 8.190 nan 0.000 0.479 89 K N 4.223 124.623 120.400 -0.001 0.000 3.101 89 K HA 0.601 4.900 4.320 -0.034 0.000 0.229 89 K C -0.006 176.594 176.600 -0.000 0.000 1.232 89 K CA 0.139 56.424 56.287 -0.003 0.000 1.210 89 K CB 0.862 33.358 32.500 -0.007 0.000 1.284 89 K HN 0.734 nan 8.250 nan 0.000 0.448 90 A N 0.968 123.792 122.820 0.007 0.000 2.566 90 A HA 0.653 4.952 4.320 -0.034 0.000 0.292 90 A C -2.872 174.731 177.584 0.032 0.000 1.112 90 A CA -1.813 50.235 52.037 0.018 0.000 0.707 90 A CB 1.303 20.312 19.000 0.016 0.000 1.302 90 A HN -0.068 nan 8.150 nan 0.000 0.409 91 P HA 0.136 nan 4.420 nan 0.000 0.261 91 P C -0.251 177.088 177.300 0.066 0.000 1.203 91 P CA 0.713 63.861 63.100 0.079 0.000 0.767 91 P CB 0.386 32.203 31.700 0.195 0.000 0.785 92 Q N 2.184 122.013 119.800 0.048 0.000 2.353 92 Q HA 0.362 4.681 4.340 -0.034 0.000 0.240 92 Q C 0.247 176.277 176.000 0.050 0.000 0.868 92 Q CA 0.058 55.887 55.803 0.042 0.000 0.944 92 Q CB 0.766 29.523 28.738 0.031 0.000 1.104 92 Q HN 0.459 nan 8.270 nan 0.000 0.531 93 A N 1.189 124.042 122.820 0.054 0.000 2.422 93 A HA 0.616 4.915 4.320 -0.034 0.000 0.302 93 A C -1.791 175.832 177.584 0.065 0.000 1.041 93 A CA -0.588 51.489 52.037 0.066 0.000 0.708 93 A CB 1.372 20.409 19.000 0.062 0.000 1.257 93 A HN 0.146 nan 8.150 nan 0.000 0.414 94 L N 2.635 123.919 121.223 0.102 0.000 2.313 94 L HA 0.784 5.103 4.340 -0.034 0.000 0.283 94 L C -0.639 176.302 176.870 0.118 0.000 1.013 94 L CA -0.265 54.637 54.840 0.103 0.000 0.816 94 L CB 1.039 43.166 42.059 0.114 0.000 1.236 94 L HN 0.738 nan 8.230 nan 0.000 0.419 95 M N 5.878 125.493 119.600 0.025 0.000 2.227 95 M HA 0.438 4.898 4.480 -0.034 0.000 0.335 95 M C -1.291 174.969 176.300 -0.067 0.000 1.053 95 M CA -0.627 54.636 55.300 -0.062 0.000 0.973 95 M CB 1.848 34.428 32.600 -0.034 0.000 1.623 95 M HN 0.446 nan 8.290 nan 0.000 0.434 96 L N 2.926 124.068 121.223 -0.135 0.000 2.346 96 L HA 0.961 5.280 4.340 -0.034 0.000 0.274 96 L C -0.897 175.877 176.870 -0.159 0.000 1.007 96 L CA -0.138 54.632 54.840 -0.116 0.000 0.818 96 L CB 1.950 43.967 42.059 -0.070 0.000 1.284 96 L HN 0.843 nan 8.230 nan 0.000 0.424 97 A N 4.470 127.208 122.820 -0.136 0.000 2.556 97 A HA 0.788 5.087 4.320 -0.034 0.000 0.294 97 A C -2.477 175.033 177.584 -0.123 0.000 1.091 97 A CA -1.111 50.864 52.037 -0.103 0.000 0.704 97 A CB 1.257 20.228 19.000 -0.048 0.000 1.300 97 A HN 0.554 nan 8.150 nan 0.000 0.406 98 P HA -0.033 nan 4.420 nan 0.000 0.217 98 P C 0.754 178.094 177.300 0.067 0.000 1.150 98 P CA 2.138 65.259 63.100 0.034 0.000 0.832 98 P CB 0.050 31.812 31.700 0.102 0.000 0.787 99 T N -4.228 110.348 114.554 0.037 0.000 2.930 99 T HA 0.422 4.752 4.350 -0.034 0.000 0.290 99 T C 1.094 175.803 174.700 0.016 0.000 1.052 99 T CA -0.990 61.141 62.100 0.052 0.000 1.017 99 T CB 2.078 70.982 68.868 0.059 0.000 1.137 99 T HN 0.037 nan 8.240 nan 0.000 0.511 100 R N 0.536 121.049 120.500 0.022 0.000 2.119 100 R HA 0.064 4.383 4.340 -0.034 0.000 0.222 100 R C 1.406 177.710 176.300 0.006 0.000 1.088 100 R CA 0.891 56.993 56.100 0.004 0.000 0.984 100 R CB -0.545 29.760 30.300 0.008 0.000 0.884 100 R HN 0.593 nan 8.270 nan 0.000 0.447 101 E N 1.717 121.927 120.200 0.017 0.000 2.058 101 E HA -0.133 4.197 4.350 -0.034 0.000 0.194 101 E C 1.961 178.573 176.600 0.021 0.000 0.997 101 E CA 1.197 57.608 56.400 0.018 0.000 0.801 101 E CB -0.251 29.463 29.700 0.023 0.000 0.746 101 E HN 0.253 nan 8.360 nan 0.000 0.450 102 L N -0.198 121.041 121.223 0.026 0.000 2.141 102 L HA -0.114 4.206 4.340 -0.034 0.000 0.209 102 L C 2.110 178.999 176.870 0.032 0.000 1.094 102 L CA 1.044 55.905 54.840 0.035 0.000 0.763 102 L CB -0.213 41.869 42.059 0.038 0.000 0.908 102 L HN 0.201 nan 8.230 nan 0.000 0.437 103 A N -0.165 122.661 122.820 0.011 0.000 1.898 103 A HA -0.172 4.128 4.320 -0.034 0.000 0.216 103 A C 2.135 179.718 177.584 -0.001 0.000 1.181 103 A CA 1.277 53.313 52.037 -0.002 0.000 0.620 103 A CB -0.618 18.364 19.000 -0.030 0.000 0.819 103 A HN 0.429 nan 8.150 nan 0.000 0.442 104 L N -0.804 120.416 121.223 -0.005 0.000 2.046 104 L HA -0.258 4.061 4.340 -0.034 0.000 0.208 104 L C 2.922 179.797 176.870 0.009 0.000 1.077 104 L CA 1.555 56.389 54.840 -0.009 0.000 0.747 104 L CB -0.613 41.440 42.059 -0.011 0.000 0.896 104 L HN 0.500 nan 8.230 nan 0.000 0.432 105 Q N -0.007 119.808 119.800 0.025 0.000 2.061 105 Q HA -0.224 4.095 4.340 -0.034 0.000 0.204 105 Q C 2.316 178.343 176.000 0.046 0.000 0.984 105 Q CA 1.611 57.439 55.803 0.041 0.000 0.846 105 Q CB -0.185 28.584 28.738 0.052 0.000 0.902 105 Q HN 0.520 nan 8.270 nan 0.000 0.421 106 I N 0.666 121.271 120.570 0.059 0.000 2.208 106 I HA -0.343 3.807 4.170 -0.034 0.000 0.245 106 I C 2.729 178.871 176.117 0.042 0.000 1.097 106 I CA 1.355 62.704 61.300 0.082 0.000 1.363 106 I CB -0.363 37.729 38.000 0.154 0.000 1.051 106 I HN 0.349 nan 8.210 nan 0.000 0.413 107 Q N 1.374 121.187 119.800 0.022 0.000 2.084 107 Q HA -0.249 4.070 4.340 -0.034 0.000 0.202 107 Q C 2.180 178.175 176.000 -0.010 0.000 0.978 107 Q CA 1.648 57.450 55.803 -0.002 0.000 0.844 107 Q CB 0.077 28.799 28.738 -0.026 0.000 0.898 107 Q HN 0.446 nan 8.270 nan 0.000 0.426 108 K N -0.370 120.030 120.400 0.001 0.000 2.009 108 K HA -0.160 4.140 4.320 -0.034 0.000 0.210 108 K C 2.135 178.724 176.600 -0.018 0.000 1.049 108 K CA 1.783 58.076 56.287 0.010 0.000 0.929 108 K CB -0.215 32.307 32.500 0.036 0.000 0.714 108 K HN 0.088 nan 8.250 nan 0.000 0.440 109 V N 1.171 121.062 119.914 -0.038 0.000 2.287 109 V HA -0.241 3.859 4.120 -0.034 0.000 0.248 109 V C 2.336 178.292 176.094 -0.229 0.000 1.053 109 V CA 1.619 63.810 62.300 -0.182 0.000 1.027 109 V CB -0.429 31.323 31.823 -0.120 0.000 0.646 109 V HN 0.114 nan 8.190 nan 0.000 0.447 110 V N -0.674 119.171 119.914 -0.114 0.000 2.332 110 V HA -0.350 3.750 4.120 -0.034 0.000 0.248 110 V C 2.381 178.431 176.094 -0.074 0.000 1.055 110 V CA 2.475 64.724 62.300 -0.085 0.000 1.038 110 V CB -0.576 31.235 31.823 -0.020 0.000 0.651 110 V HN 0.458 nan 8.190 nan 0.000 0.450 111 M N -0.533 119.038 119.600 -0.049 0.000 2.117 111 M HA -0.159 4.301 4.480 -0.034 0.000 0.262 111 M C 2.359 178.659 176.300 -0.000 0.000 1.065 111 M CA 2.028 57.317 55.300 -0.018 0.000 1.114 111 M CB -0.526 32.074 32.600 -0.000 0.000 1.361 111 M HN 0.432 nan 8.290 nan 0.000 0.408 112 A N 0.699 123.489 122.820 -0.050 0.000 1.858 112 A HA -0.149 4.151 4.320 -0.034 0.000 0.216 112 A C 2.010 179.546 177.584 -0.080 0.000 1.190 112 A CA 1.439 53.448 52.037 -0.047 0.000 0.617 112 A CB -1.069 17.850 19.000 -0.136 0.000 0.827 112 A HN 0.478 nan 8.150 nan 0.000 0.443 113 L N -1.064 120.024 121.223 -0.225 0.000 2.261 113 L HA -0.139 4.181 4.340 -0.034 0.000 0.216 113 L C 2.224 179.083 176.870 -0.018 0.000 1.114 113 L CA 0.878 55.624 54.840 -0.155 0.000 0.777 113 L CB -0.393 41.548 42.059 -0.198 0.000 0.910 113 L HN 0.442 nan 8.230 nan 0.000 0.440 114 A N -1.626 121.193 122.820 -0.002 0.000 2.577 114 A HA 0.105 4.404 4.320 -0.034 0.000 0.280 114 A C 1.473 179.077 177.584 0.033 0.000 1.331 114 A CA -0.495 51.554 52.037 0.020 0.000 0.935 114 A CB -0.495 18.499 19.000 -0.011 0.000 1.082 114 A HN 0.325 nan 8.150 nan 0.000 0.525 115 F N 0.228 120.123 119.950 -0.092 0.000 2.234 115 F HA -0.138 4.369 4.527 -0.033 0.000 0.299 115 F C 2.071 177.720 175.800 -0.252 0.000 1.087 115 F CA 1.833 59.717 58.000 -0.193 0.000 1.340 115 F CB 0.134 38.963 39.000 -0.285 0.000 1.031 115 F HN 0.512 nan 8.300 nan 0.000 0.500 116 H N -0.635 118.515 119.070 0.135 0.000 2.539 116 H HA 0.235 4.770 4.556 -0.034 0.000 0.269 116 H C 0.351 175.669 175.328 -0.016 0.000 0.980 116 H CA 0.303 56.387 56.048 0.061 0.000 1.152 116 H CB -0.011 29.822 29.762 0.119 0.000 1.407 116 H HN 0.264 nan 8.280 nan 0.000 0.564 117 M N 0.180 119.808 119.600 0.047 0.000 2.654 117 M HA 0.134 4.594 4.480 -0.034 0.000 0.310 117 M C -0.227 176.048 176.300 -0.041 0.000 1.211 117 M CA -0.728 54.579 55.300 0.013 0.000 0.947 117 M CB 1.699 34.312 32.600 0.021 0.000 1.647 117 M HN -0.216 nan 8.290 nan 0.000 0.481 118 D N 2.300 122.682 120.400 -0.030 0.000 2.639 118 D HA 0.448 5.068 4.640 -0.034 0.000 0.233 118 D C -1.335 174.947 176.300 -0.030 0.000 1.161 118 D CA 0.119 54.093 54.000 -0.042 0.000 1.003 118 D CB -0.265 40.515 40.800 -0.032 0.000 1.034 118 D HN 0.371 nan 8.370 nan 0.000 0.514 119 I N 2.057 122.607 120.570 -0.033 0.000 2.468 119 I HA 0.184 4.334 4.170 -0.034 0.000 0.284 119 I C 0.074 176.178 176.117 -0.021 0.000 1.038 119 I CA -0.962 60.326 61.300 -0.020 0.000 1.083 119 I CB 1.897 39.891 38.000 -0.010 0.000 1.223 119 I HN -0.083 nan 8.210 nan 0.000 0.443 120 K N 6.136 126.528 120.400 -0.013 0.000 2.297 120 K HA 0.501 4.801 4.320 -0.034 0.000 0.286 120 K C -1.123 175.483 176.600 0.010 0.000 1.053 120 K CA -0.292 55.992 56.287 -0.004 0.000 0.940 120 K CB 1.049 33.550 32.500 0.002 0.000 1.019 120 K HN 0.402 nan 8.250 nan 0.000 0.475 121 V N 5.203 125.124 119.914 0.012 0.000 2.384 121 V HA 0.213 4.313 4.120 -0.034 0.000 0.287 121 V C -0.267 175.848 176.094 0.035 0.000 1.020 121 V CA -0.849 61.460 62.300 0.016 0.000 0.850 121 V CB 1.105 32.925 31.823 -0.004 0.000 0.987 121 V HN 0.775 nan 8.190 nan 0.000 0.436 122 H N 3.164 122.192 119.070 -0.070 0.000 2.524 122 H HA 0.775 5.322 4.556 -0.015 0.000 0.353 122 H C -0.453 174.815 175.328 -0.101 0.000 1.136 122 H CA -0.332 55.666 56.048 -0.083 0.000 1.193 122 H CB 2.238 31.939 29.762 -0.102 0.000 1.558 122 H HN 0.764 nan 8.280 nan 0.000 0.515 123 A N 2.832 125.352 122.820 -0.500 0.000 2.312 123 A HA 0.430 4.730 4.320 -0.034 0.000 0.328 123 A C -0.705 176.741 177.584 -0.230 0.000 1.158 123 A CA -0.561 51.305 52.037 -0.286 0.000 0.821 123 A CB 0.530 19.390 19.000 -0.235 0.000 1.170 123 A HN 0.698 nan 8.150 nan 0.000 0.490 124 C N 3.704 122.940 119.300 -0.107 0.000 2.534 124 C HA 0.752 5.191 4.460 -0.034 0.000 0.309 124 C C -0.849 174.119 174.990 -0.037 0.000 1.072 124 C CA -0.349 58.641 59.018 -0.047 0.000 1.441 124 C CB -2.178 25.511 27.740 -0.084 0.000 1.906 124 C HN 0.665 nan 8.230 nan 0.000 0.429 137 L N -1.850 119.141 121.223 -0.386 0.000 3.122 137 L HA 0.511 4.830 4.340 -0.034 0.000 0.274 137 L C 1.479 178.249 176.870 -0.167 0.000 1.222 137 L CA -0.642 53.879 54.840 -0.531 0.000 1.028 137 L CB 0.309 41.937 42.059 -0.718 0.000 1.386 137 L HN 0.086 nan 8.230 nan 0.000 0.578 138 R N -1.194 119.261 120.500 -0.075 0.000 2.359 138 R HA 0.183 4.502 4.340 -0.034 0.000 0.231 138 R C 0.340 176.633 176.300 -0.012 0.000 0.913 138 R CA 0.595 56.701 56.100 0.010 0.000 1.075 138 R CB -0.795 29.511 30.300 0.011 0.000 1.087 138 R HN 0.481 nan 8.270 nan 0.000 0.515 139 D N -0.777 119.596 120.400 -0.045 0.000 2.500 139 D HA 0.235 4.854 4.640 -0.034 0.000 0.217 139 D C 0.148 176.431 176.300 -0.029 0.000 1.159 139 D CA -0.280 53.701 54.000 -0.032 0.000 0.828 139 D CB 0.062 40.842 40.800 -0.035 0.000 1.039 139 D HN 0.189 nan 8.370 nan 0.000 0.512 140 A N 0.498 123.292 122.820 -0.044 0.000 2.340 140 A HA 0.351 4.651 4.320 -0.034 0.000 0.268 140 A C 0.821 178.402 177.584 -0.006 0.000 1.100 140 A CA -0.304 51.719 52.037 -0.023 0.000 0.803 140 A CB 0.724 19.712 19.000 -0.021 0.000 1.043 140 A HN 0.066 nan 8.150 nan 0.000 0.488 141 Q N 0.332 120.133 119.800 0.002 0.000 2.402 141 Q HA 0.328 4.647 4.340 -0.034 0.000 0.206 141 Q C -0.561 175.447 176.000 0.013 0.000 0.919 141 Q CA 0.770 56.579 55.803 0.010 0.000 0.923 141 Q CB 0.331 29.073 28.738 0.007 0.000 1.048 141 Q HN 0.726 nan 8.270 nan 0.000 0.515 142 I N 0.682 121.256 120.570 0.006 0.000 2.571 142 I HA 0.288 4.438 4.170 -0.034 0.000 0.289 142 I C -1.212 174.893 176.117 -0.021 0.000 1.115 142 I CA -0.946 60.357 61.300 0.005 0.000 1.045 142 I CB 2.448 40.457 38.000 0.016 0.000 1.238 142 I HN -0.277 nan 8.210 nan 0.000 0.424 143 V N 6.923 126.801 119.914 -0.061 0.000 2.459 143 V HA 0.492 4.591 4.120 -0.034 0.000 0.295 143 V C -0.208 175.826 176.094 -0.101 0.000 1.029 143 V CA -0.642 61.573 62.300 -0.142 0.000 0.874 143 V CB 2.115 33.702 31.823 -0.394 0.000 0.985 143 V HN 0.390 nan 8.190 nan 0.000 0.438 144 V N 3.691 123.551 119.914 -0.089 0.000 2.540 144 V HA 1.020 5.119 4.120 -0.034 0.000 0.302 144 V C 0.466 176.507 176.094 -0.088 0.000 1.035 144 V CA 0.120 62.381 62.300 -0.065 0.000 0.873 144 V CB 1.423 33.227 31.823 -0.033 0.000 0.992 144 V HN 1.114 nan 8.190 nan 0.000 0.428 145 G N 2.270 111.021 108.800 -0.082 0.000 2.488 145 G HA2 0.609 4.548 3.960 -0.034 0.000 0.301 145 G HA3 0.609 4.548 3.960 -0.034 0.000 0.301 145 G C -0.662 174.175 174.900 -0.105 0.000 1.339 145 G CA 0.038 45.086 45.100 -0.086 0.000 0.803 145 G HN 0.779 nan 8.290 nan 0.000 0.482 146 T N -0.971 113.508 114.554 -0.124 0.000 2.918 146 T HA 0.595 4.924 4.350 -0.034 0.000 0.283 146 T C -1.785 172.739 174.700 -0.294 0.000 1.001 146 T CA -1.433 60.519 62.100 -0.247 0.000 1.041 146 T CB 2.273 71.005 68.868 -0.225 0.000 1.028 146 T HN 0.130 nan 8.240 nan 0.000 0.511 147 P HA -0.013 nan 4.420 nan 0.000 0.215 147 P C 1.862 179.101 177.300 -0.100 0.000 1.153 147 P CA 1.282 64.160 63.100 -0.370 0.000 0.853 147 P CB -0.397 30.940 31.700 -0.605 0.000 0.788 148 G N 0.153 108.913 108.800 -0.067 0.000 2.421 148 G HA2 -0.235 3.705 3.960 -0.034 0.000 0.216 148 G HA3 -0.235 3.705 3.960 -0.034 0.000 0.216 148 G C 1.626 176.648 174.900 0.204 0.000 1.171 148 G CA 0.573 45.829 45.100 0.259 0.000 0.775 148 G HN 0.153 nan 8.290 nan 0.000 0.543 149 R N 0.092 120.655 120.500 0.105 0.000 2.073 149 R HA 0.048 4.367 4.340 -0.034 0.000 0.229 149 R C 2.581 178.944 176.300 0.105 0.000 1.120 149 R CA 0.916 57.071 56.100 0.091 0.000 0.967 149 R CB -1.530 28.797 30.300 0.045 0.000 0.862 149 R HN 0.325 nan 8.270 nan 0.000 0.436 150 V N 1.342 121.311 119.914 0.092 0.000 2.407 150 V HA -0.219 3.881 4.120 -0.034 0.000 0.248 150 V C 2.028 178.264 176.094 0.237 0.000 1.055 150 V CA 1.579 63.972 62.300 0.154 0.000 1.049 150 V CB -0.541 31.335 31.823 0.088 0.000 0.662 150 V HN 0.172 nan 8.190 nan 0.000 0.455 151 F N 1.726 121.706 119.950 0.050 0.000 2.084 151 F HA -0.113 4.400 4.527 -0.024 0.000 0.296 151 F C 2.010 177.831 175.800 0.035 0.000 1.111 151 F CA 2.327 60.344 58.000 0.028 0.000 1.224 151 F CB -0.696 38.323 39.000 0.031 0.000 0.991 151 F HN 0.283 nan 8.300 nan 0.000 0.471 152 D N 0.202 120.569 120.400 -0.055 0.000 2.149 152 D HA -0.193 4.426 4.640 -0.034 0.000 0.198 152 D C 1.871 178.086 176.300 -0.140 0.000 0.990 152 D CA 1.434 55.338 54.000 -0.161 0.000 0.839 152 D CB -0.500 40.306 40.800 0.011 0.000 0.948 152 D HN 0.266 nan 8.370 nan 0.000 0.460 153 N N -0.215 118.480 118.700 -0.008 0.000 2.216 153 N HA 0.005 4.724 4.740 -0.034 0.000 0.183 153 N C 1.799 177.281 175.510 -0.048 0.000 1.017 153 N CA 0.346 53.435 53.050 0.065 0.000 0.861 153 N CB -0.055 38.590 38.487 0.264 0.000 0.986 153 N HN 0.237 nan 8.380 nan 0.000 0.428 154 I N 0.623 121.097 120.570 -0.161 0.000 2.202 154 I HA -0.246 3.904 4.170 -0.034 0.000 0.242 154 I C 2.057 177.976 176.117 -0.329 0.000 1.091 154 I CA 0.929 62.000 61.300 -0.382 0.000 1.368 154 I CB -0.206 37.578 38.000 -0.360 0.000 1.058 154 I HN 0.131 nan 8.210 nan 0.000 0.410 155 Q N 0.913 120.476 119.800 -0.396 0.000 2.124 155 Q HA -0.165 4.155 4.340 -0.034 0.000 0.202 155 Q C 1.997 177.865 176.000 -0.219 0.000 0.977 155 Q CA 1.442 57.031 55.803 -0.358 0.000 0.850 155 Q CB -0.343 28.083 28.738 -0.521 0.000 0.901 155 Q HN 0.527 nan 8.270 nan 0.000 0.429 156 R N 0.488 120.879 120.500 -0.182 0.000 2.325 156 R HA 0.104 4.423 4.340 -0.034 0.000 0.214 156 R C -0.094 176.146 176.300 -0.101 0.000 0.961 156 R CA -0.178 55.854 56.100 -0.113 0.000 1.086 156 R CB 0.131 30.385 30.300 -0.077 0.000 1.037 156 R HN 0.040 nan 8.270 nan 0.000 0.493 157 R N -0.226 120.190 120.500 -0.139 0.000 3.516 157 R HA -0.228 4.091 4.340 -0.034 0.000 0.271 157 R C 0.621 176.862 176.300 -0.098 0.000 1.098 157 R CA 0.564 56.583 56.100 -0.135 0.000 0.732 157 R CB -1.545 28.694 30.300 -0.102 0.000 1.152 157 R HN 0.320 nan 8.270 nan 0.000 0.455 158 R N -0.289 120.168 120.500 -0.071 0.000 2.080 158 R HA 0.046 4.365 4.340 -0.034 0.000 0.222 158 R C 0.744 177.088 176.300 0.073 0.000 1.107 158 R CA 1.573 57.678 56.100 0.010 0.000 0.980 158 R CB 0.098 30.433 30.300 0.059 0.000 0.879 158 R HN 0.296 nan 8.270 nan 0.000 0.439 159 F N -0.281 119.617 119.950 -0.086 0.000 2.507 159 F HA 0.448 4.946 4.527 -0.047 0.000 0.325 159 F C -0.339 175.414 175.800 -0.079 0.000 1.116 159 F CA -1.575 56.373 58.000 -0.087 0.000 0.930 159 F CB 0.919 39.865 39.000 -0.090 0.000 1.146 159 F HN -0.348 nan 8.300 nan 0.000 0.447 160 R N 2.441 122.918 120.500 -0.039 0.000 2.484 160 R HA 0.124 4.444 4.340 -0.034 0.000 0.293 160 R C 0.493 176.714 176.300 -0.133 0.000 1.023 160 R CA 1.018 57.054 56.100 -0.106 0.000 1.037 160 R CB 0.640 30.926 30.300 -0.023 0.000 0.951 160 R HN 1.047 nan 8.270 nan 0.000 0.418 161 T N -0.958 113.456 114.554 -0.233 0.000 3.010 161 T HA -0.007 4.322 4.350 -0.034 0.000 0.257 161 T C 0.867 175.507 174.700 -0.100 0.000 1.020 161 T CA 0.303 62.286 62.100 -0.194 0.000 0.938 161 T CB 0.134 68.811 68.868 -0.317 0.000 1.049 161 T HN 0.739 nan 8.240 nan 0.000 0.522 162 D N 1.502 121.853 120.400 -0.081 0.000 2.312 162 D HA -0.048 4.571 4.640 -0.034 0.000 0.211 162 D C 1.788 178.072 176.300 -0.026 0.000 0.964 162 D CA 0.574 54.543 54.000 -0.052 0.000 0.877 162 D CB -0.072 40.699 40.800 -0.048 0.000 0.924 162 D HN 0.150 nan 8.370 nan 0.000 0.515 163 K N 0.020 120.411 120.400 -0.014 0.000 2.374 163 K HA 0.155 4.454 4.320 -0.034 0.000 0.196 163 K C 0.276 176.884 176.600 0.014 0.000 1.023 163 K CA -0.359 55.929 56.287 0.003 0.000 1.103 163 K CB 0.500 33.005 32.500 0.010 0.000 0.848 163 K HN 0.272 nan 8.250 nan 0.000 0.528 164 I N 2.894 123.471 120.570 0.011 0.000 2.598 164 I HA -0.078 4.071 4.170 -0.034 0.000 0.284 164 I C 1.298 177.428 176.117 0.022 0.000 1.140 164 I CA 0.720 62.034 61.300 0.023 0.000 1.420 164 I CB 0.465 38.467 38.000 0.004 0.000 1.387 164 I HN 0.194 nan 8.210 nan 0.000 0.553 165 K N 5.425 125.847 120.400 0.037 0.000 2.440 165 K HA 0.330 4.630 4.320 -0.034 0.000 0.207 165 K C 0.225 176.860 176.600 0.059 0.000 1.112 165 K CA -0.185 56.126 56.287 0.040 0.000 1.036 165 K CB 0.981 33.499 32.500 0.030 0.000 0.935 165 K HN 0.515 nan 8.250 nan 0.000 0.564 166 M N 1.486 121.132 119.600 0.076 0.000 2.224 166 M HA 0.407 4.866 4.480 -0.034 0.000 0.281 166 M C -2.074 174.322 176.300 0.158 0.000 1.025 166 M CA -0.995 54.362 55.300 0.096 0.000 0.954 166 M CB 1.867 34.509 32.600 0.069 0.000 1.639 166 M HN 0.055 nan 8.290 nan 0.000 0.461 167 F N 7.104 127.025 119.950 -0.048 0.000 2.460 167 F HA 0.647 5.158 4.527 -0.027 0.000 0.341 167 F C -1.836 173.884 175.800 -0.134 0.000 1.130 167 F CA -1.293 56.641 58.000 -0.109 0.000 0.962 167 F CB 0.952 39.858 39.000 -0.157 0.000 1.171 167 F HN 0.478 nan 8.300 nan 0.000 0.436 168 I N 7.297 127.657 120.570 -0.350 0.000 2.355 168 I HA 0.277 4.427 4.170 -0.034 0.000 0.288 168 I C -1.189 174.498 176.117 -0.717 0.000 0.999 168 I CA -0.852 60.128 61.300 -0.533 0.000 1.163 168 I CB 1.503 39.214 38.000 -0.481 0.000 1.316 168 I HN 0.330 nan 8.210 nan 0.000 0.454 169 L N 6.162 126.961 121.223 -0.707 0.000 2.283 169 L HA 0.372 4.691 4.340 -0.034 0.000 0.281 169 L C -0.174 176.472 176.870 -0.372 0.000 1.033 169 L CA -0.159 54.353 54.840 -0.547 0.000 0.848 169 L CB 0.533 42.291 42.059 -0.502 0.000 1.226 169 L HN 0.417 nan 8.230 nan 0.000 0.429 170 D N 3.448 123.640 120.400 -0.348 0.000 2.225 170 D HA 0.194 4.814 4.640 -0.034 0.000 0.248 170 D C 0.029 176.268 176.300 -0.102 0.000 1.096 170 D CA -0.041 53.817 54.000 -0.236 0.000 0.863 170 D CB 0.790 41.450 40.800 -0.233 0.000 1.156 170 D HN 0.537 nan 8.370 nan 0.000 0.450 171 E N 1.661 121.835 120.200 -0.043 0.000 2.246 171 E HA -0.258 4.071 4.350 -0.034 0.000 0.211 171 E C 0.495 177.095 176.600 -0.000 0.000 1.278 171 E CA 0.362 56.761 56.400 -0.003 0.000 0.694 171 E CB -1.159 28.552 29.700 0.019 0.000 1.166 171 E HN 0.526 nan 8.360 nan 0.000 0.370 172 A N 1.716 124.530 122.820 -0.010 0.000 1.902 172 A HA -0.274 4.025 4.320 -0.034 0.000 0.217 172 A C 1.886 179.503 177.584 0.055 0.000 1.181 172 A CA 2.032 54.077 52.037 0.014 0.000 0.623 172 A CB -0.236 18.771 19.000 0.011 0.000 0.818 172 A HN 0.596 nan 8.150 nan 0.000 0.443 173 D N 0.043 120.472 120.400 0.047 0.000 2.149 173 D HA -0.207 4.413 4.640 -0.034 0.000 0.198 173 D C 1.424 177.764 176.300 0.066 0.000 0.990 173 D CA 1.568 55.602 54.000 0.056 0.000 0.839 173 D CB -0.597 40.229 40.800 0.043 0.000 0.948 173 D HN 0.450 nan 8.370 nan 0.000 0.460 174 E N -0.033 120.206 120.200 0.065 0.000 2.107 174 E HA -0.014 4.315 4.350 -0.034 0.000 0.191 174 E C 2.369 179.047 176.600 0.130 0.000 0.982 174 E CA 0.460 56.908 56.400 0.080 0.000 0.809 174 E CB -0.291 29.450 29.700 0.070 0.000 0.756 174 E HN 0.462 nan 8.360 nan 0.000 0.459 175 M N 0.254 119.941 119.600 0.146 0.000 2.117 175 M HA -0.116 4.343 4.480 -0.034 0.000 0.262 175 M C 2.374 178.845 176.300 0.285 0.000 1.065 175 M CA 1.239 56.697 55.300 0.262 0.000 1.114 175 M CB -0.285 32.400 32.600 0.142 0.000 1.361 175 M HN 0.056 nan 8.290 nan 0.000 0.408 176 L N -0.358 120.972 121.223 0.177 0.000 2.141 176 L HA -0.143 4.177 4.340 -0.034 0.000 0.209 176 L C 2.657 179.576 176.870 0.080 0.000 1.094 176 L CA 1.355 56.280 54.840 0.142 0.000 0.763 176 L CB -0.698 41.439 42.059 0.130 0.000 0.908 176 L HN 0.400 nan 8.230 nan 0.000 0.437 177 S N -2.237 113.505 115.700 0.070 0.000 2.522 177 S HA -0.026 4.424 4.470 -0.034 0.000 0.227 177 S C 1.494 176.093 174.600 -0.001 0.000 0.986 177 S CA 0.479 58.698 58.200 0.032 0.000 0.929 177 S CB -0.036 63.185 63.200 0.035 0.000 0.769 177 S HN 0.241 nan 8.310 nan 0.000 0.529 178 S N 1.096 116.799 115.700 0.005 0.000 2.583 178 S HA 0.521 4.971 4.470 -0.034 0.000 0.239 178 S C 0.978 175.346 174.600 -0.386 0.000 0.966 178 S CA -0.029 58.104 58.200 -0.111 0.000 0.973 178 S CB -0.011 63.201 63.200 0.019 0.000 0.794 178 S HN 0.990 nan 8.310 nan 0.000 0.463 179 G N 1.278 109.938 108.800 -0.234 0.000 2.314 179 G HA2 -0.281 3.659 3.960 -0.034 0.000 0.292 179 G HA3 -0.281 3.659 3.960 -0.034 0.000 0.292 179 G C 0.087 174.766 174.900 -0.369 0.000 1.059 179 G CA -0.076 44.864 45.100 -0.267 0.000 0.982 179 G HN 0.616 nan 8.290 nan 0.000 0.505 180 F N -0.752 119.210 119.950 0.020 0.000 2.654 180 F HA 0.287 4.794 4.527 -0.032 0.000 0.303 180 F C 2.112 177.938 175.800 0.042 0.000 1.099 180 F CA 0.140 58.153 58.000 0.022 0.000 1.270 180 F CB 0.471 39.490 39.000 0.033 0.000 1.024 180 F HN 0.277 nan 8.300 nan 0.000 0.548 181 K N 0.933 121.436 120.400 0.171 0.000 1.987 181 K HA -0.222 4.077 4.320 -0.034 0.000 0.216 181 K C 1.860 178.550 176.600 0.151 0.000 1.051 181 K CA 2.064 58.452 56.287 0.168 0.000 0.942 181 K CB 0.033 32.543 32.500 0.017 0.000 0.722 181 K HN 0.076 nan 8.250 nan 0.000 0.444 182 E N 0.804 121.002 120.200 -0.003 0.000 2.049 182 E HA -0.241 4.089 4.350 -0.034 0.000 0.198 182 E C 2.180 178.732 176.600 -0.079 0.000 1.007 182 E CA 1.594 57.958 56.400 -0.060 0.000 0.809 182 E CB -0.487 29.150 29.700 -0.106 0.000 0.749 182 E HN 0.393 nan 8.360 nan 0.000 0.450 183 Q N 0.618 120.347 119.800 -0.118 0.000 2.062 183 Q HA -0.146 4.174 4.340 -0.034 0.000 0.209 183 Q C 2.403 178.332 176.000 -0.117 0.000 0.996 183 Q CA 1.479 57.122 55.803 -0.267 0.000 0.859 183 Q CB -0.479 28.266 28.738 0.013 0.000 0.920 183 Q HN 0.342 nan 8.270 nan 0.000 0.415 184 I N -0.910 119.708 120.570 0.080 0.000 2.127 184 I HA -0.316 3.833 4.170 -0.034 0.000 0.241 184 I C 1.816 178.008 176.117 0.125 0.000 1.075 184 I CA 1.280 62.640 61.300 0.100 0.000 1.334 184 I CB -0.317 37.810 38.000 0.211 0.000 1.040 184 I HN 0.228 nan 8.210 nan 0.000 0.405 185 Y N 1.368 121.718 120.300 0.083 0.000 2.114 185 Y HA -0.328 4.201 4.550 -0.035 0.000 0.282 185 Y C 2.843 178.773 175.900 0.050 0.000 1.165 185 Y CA 1.469 59.640 58.100 0.118 0.000 1.148 185 Y CB -0.690 37.888 38.460 0.197 0.000 0.972 185 Y HN 0.230 nan 8.280 nan 0.000 0.504 186 Q N -0.190 119.675 119.800 0.109 0.000 2.014 186 Q HA -0.230 4.090 4.340 -0.034 0.000 0.207 186 Q C 2.420 178.447 176.000 0.045 0.000 0.993 186 Q CA 1.990 57.817 55.803 0.041 0.000 0.850 186 Q CB -1.008 27.593 28.738 -0.228 0.000 0.916 186 Q HN 0.477 nan 8.270 nan 0.000 0.417 187 I N 0.405 120.945 120.570 -0.050 0.000 2.145 187 I HA -0.301 3.849 4.170 -0.034 0.000 0.244 187 I C 2.254 178.168 176.117 -0.340 0.000 1.075 187 I CA 1.495 62.664 61.300 -0.218 0.000 1.332 187 I CB -0.554 37.193 38.000 -0.421 0.000 1.033 187 I HN 0.087 nan 8.210 nan 0.000 0.410 188 F N 0.329 120.080 119.950 -0.332 0.000 2.120 188 F HA -0.342 4.167 4.527 -0.031 0.000 0.300 188 F C 2.774 178.482 175.800 -0.154 0.000 1.095 188 F CA 2.019 59.806 58.000 -0.355 0.000 1.249 188 F CB -0.952 37.525 39.000 -0.871 0.000 0.995 188 F HN 0.225 nan 8.300 nan 0.000 0.480 189 T N -2.171 112.455 114.554 0.120 0.000 3.085 189 T HA -0.008 4.322 4.350 -0.034 0.000 0.263 189 T C 1.539 176.269 174.700 0.049 0.000 1.127 189 T CA 0.667 62.841 62.100 0.123 0.000 1.103 189 T CB -0.469 68.493 68.868 0.156 0.000 0.921 189 T HN 0.287 nan 8.240 nan 0.000 0.510 190 L N -0.007 121.212 121.223 -0.006 0.000 2.567 190 L HA 0.438 4.757 4.340 -0.034 0.000 0.225 190 L C 0.646 177.453 176.870 -0.105 0.000 1.119 190 L CA -0.026 54.784 54.840 -0.051 0.000 0.871 190 L CB -0.066 41.959 42.059 -0.057 0.000 1.036 190 L HN 0.234 nan 8.230 nan 0.000 0.459 191 L N -0.370 120.786 121.223 -0.112 0.000 2.358 191 L HA 0.411 4.730 4.340 -0.034 0.000 0.268 191 L C -2.120 174.725 176.870 -0.043 0.000 1.032 191 L CA -2.166 52.603 54.840 -0.118 0.000 0.805 191 L CB 0.511 42.456 42.059 -0.189 0.000 1.253 191 L HN -0.270 nan 8.230 nan 0.000 0.452 192 P HA 0.008 nan 4.420 nan 0.000 0.261 192 P C -1.961 175.354 177.300 0.026 0.000 1.183 192 P CA -0.818 62.280 63.100 -0.004 0.000 0.761 192 P CB 0.019 31.716 31.700 -0.004 0.000 0.785 193 P HA -0.180 nan 4.420 nan 0.000 0.222 193 P C 0.806 178.142 177.300 0.061 0.000 1.142 193 P CA 1.651 64.785 63.100 0.058 0.000 0.788 193 P CB -0.427 31.299 31.700 0.044 0.000 0.767 194 T N -5.373 109.208 114.554 0.044 0.000 3.122 194 T HA 0.091 4.420 4.350 -0.034 0.000 0.250 194 T C 0.649 175.379 174.700 0.051 0.000 1.067 194 T CA -0.218 61.906 62.100 0.041 0.000 0.966 194 T CB -1.151 67.731 68.868 0.023 0.000 1.002 194 T HN -0.081 nan 8.240 nan 0.000 0.542 195 T N 3.630 118.225 114.554 0.069 0.000 2.829 195 T HA 0.063 4.392 4.350 -0.034 0.000 0.293 195 T C 0.134 174.904 174.700 0.117 0.000 0.970 195 T CA -0.072 62.079 62.100 0.086 0.000 1.168 195 T CB 0.620 69.541 68.868 0.088 0.000 0.911 195 T HN 0.525 nan 8.240 nan 0.000 0.535 196 Q N 3.260 123.114 119.800 0.091 0.000 2.311 196 Q HA 0.226 4.546 4.340 -0.034 0.000 0.272 196 Q C -1.092 174.975 176.000 0.110 0.000 1.012 196 Q CA -0.222 55.630 55.803 0.083 0.000 0.891 196 Q CB 0.502 29.270 28.738 0.050 0.000 1.201 196 Q HN 0.429 nan 8.270 nan 0.000 0.391 197 V N 5.263 125.239 119.914 0.105 0.000 2.384 197 V HA 0.334 4.433 4.120 -0.034 0.000 0.287 197 V C -0.487 175.607 176.094 0.000 0.000 1.020 197 V CA -0.693 61.660 62.300 0.088 0.000 0.850 197 V CB 1.697 33.642 31.823 0.203 0.000 0.987 197 V HN 0.610 nan 8.190 nan 0.000 0.436 198 V N 6.737 126.597 119.914 -0.090 0.000 2.409 198 V HA 0.519 4.618 4.120 -0.034 0.000 0.291 198 V C -0.393 175.588 176.094 -0.188 0.000 1.020 198 V CA -0.477 61.759 62.300 -0.107 0.000 0.848 198 V CB 1.719 33.490 31.823 -0.087 0.000 0.990 198 V HN 0.713 nan 8.190 nan 0.000 0.430 199 L N 6.386 127.536 121.223 -0.121 0.000 2.349 199 L HA 0.721 5.040 4.340 -0.034 0.000 0.278 199 L C -1.461 175.361 176.870 -0.080 0.000 0.996 199 L CA -0.422 54.341 54.840 -0.129 0.000 0.825 199 L CB 1.567 43.584 42.059 -0.070 0.000 1.243 199 L HN 0.507 nan 8.230 nan 0.000 0.412 200 L N 4.224 125.392 121.223 -0.091 0.000 2.346 200 L HA 0.792 5.112 4.340 -0.034 0.000 0.274 200 L C -0.282 176.576 176.870 -0.019 0.000 1.007 200 L CA -0.236 54.586 54.840 -0.030 0.000 0.818 200 L CB 1.969 44.035 42.059 0.011 0.000 1.284 200 L HN 0.548 nan 8.230 nan 0.000 0.424 201 S N -0.025 115.678 115.700 0.005 0.000 2.560 201 S HA 0.634 5.084 4.470 -0.034 0.000 0.283 201 S C 0.394 175.008 174.600 0.022 0.000 1.141 201 S CA 0.115 58.323 58.200 0.014 0.000 0.902 201 S CB 1.399 64.607 63.200 0.013 0.000 1.104 201 S HN 0.780 nan 8.310 nan 0.000 0.454 202 A N 2.723 125.559 122.820 0.027 0.000 1.930 202 A HA 0.225 4.524 4.320 -0.034 0.000 0.217 202 A C 1.183 178.782 177.584 0.025 0.000 1.175 202 A CA 1.849 53.903 52.037 0.028 0.000 0.627 202 A CB -0.812 18.206 19.000 0.030 0.000 0.815 202 A HN 1.239 nan 8.150 nan 0.000 0.443 203 T N -3.715 110.855 114.554 0.026 0.000 2.912 203 T HA 0.656 4.985 4.350 -0.034 0.000 0.288 203 T C -0.371 174.344 174.700 0.026 0.000 1.030 203 T CA -0.747 61.368 62.100 0.025 0.000 1.020 203 T CB 1.424 70.307 68.868 0.026 0.000 1.056 203 T HN -0.038 nan 8.240 nan 0.000 0.480 204 M N 2.398 122.012 119.600 0.024 0.000 2.634 204 M HA 0.360 4.820 4.480 -0.034 0.000 0.211 204 M C -2.682 173.633 176.300 0.026 0.000 1.019 204 M CA -2.401 52.914 55.300 0.025 0.000 0.834 204 M CB -0.008 32.604 32.600 0.020 0.000 1.376 204 M HN 0.490 nan 8.290 nan 0.000 0.465 205 P HA 0.268 nan 4.420 nan 0.000 0.277 205 P C 0.872 178.192 177.300 0.033 0.000 1.271 205 P CA -0.272 62.846 63.100 0.030 0.000 0.795 205 P CB 0.774 32.494 31.700 0.033 0.000 1.101 206 N N 0.440 119.158 118.700 0.030 0.000 2.060 206 N HA -0.235 4.484 4.740 -0.034 0.000 0.195 206 N C 1.061 176.599 175.510 0.047 0.000 1.028 206 N CA 2.095 55.164 53.050 0.031 0.000 0.861 206 N CB -0.756 37.746 38.487 0.025 0.000 1.029 206 N HN 0.265 nan 8.380 nan 0.000 0.428 207 D N -0.447 119.987 120.400 0.056 0.000 2.103 207 D HA -0.135 4.485 4.640 -0.034 0.000 0.190 207 D C 2.076 178.442 176.300 0.109 0.000 0.997 207 D CA 1.441 55.492 54.000 0.085 0.000 0.833 207 D CB -0.592 40.257 40.800 0.081 0.000 0.961 207 D HN 0.165 nan 8.370 nan 0.000 0.447 208 V N 0.869 120.834 119.914 0.086 0.000 2.343 208 V HA -0.194 3.905 4.120 -0.034 0.000 0.247 208 V C 2.624 178.758 176.094 0.067 0.000 1.051 208 V CA 1.065 63.415 62.300 0.083 0.000 1.036 208 V CB -0.455 31.403 31.823 0.059 0.000 0.654 208 V HN 0.224 nan 8.190 nan 0.000 0.451 209 L N -0.379 120.873 121.223 0.048 0.000 2.131 209 L HA -0.179 4.140 4.340 -0.034 0.000 0.210 209 L C 2.569 179.452 176.870 0.021 0.000 1.092 209 L CA 1.472 56.329 54.840 0.027 0.000 0.759 209 L CB -0.628 41.442 42.059 0.019 0.000 0.903 209 L HN 0.424 nan 8.230 nan 0.000 0.435 210 E N -0.197 120.030 120.200 0.045 0.000 2.051 210 E HA -0.201 4.128 4.350 -0.034 0.000 0.192 210 E C 2.282 178.891 176.600 0.014 0.000 0.991 210 E CA 1.427 57.853 56.400 0.043 0.000 0.799 210 E CB -0.111 29.652 29.700 0.106 0.000 0.748 210 E HN 0.260 nan 8.360 nan 0.000 0.449 211 V N 1.236 121.200 119.914 0.083 0.000 2.287 211 V HA -0.298 3.801 4.120 -0.034 0.000 0.248 211 V C 2.352 178.435 176.094 -0.018 0.000 1.053 211 V CA 2.223 64.562 62.300 0.064 0.000 1.027 211 V CB -0.877 31.037 31.823 0.151 0.000 0.646 211 V HN 0.349 nan 8.190 nan 0.000 0.447 212 T N -0.139 114.415 114.554 -0.001 0.000 2.607 212 T HA -0.256 4.073 4.350 -0.034 0.000 0.267 212 T C 1.957 176.615 174.700 -0.069 0.000 1.049 212 T CA 2.437 64.525 62.100 -0.019 0.000 1.162 212 T CB -0.533 68.333 68.868 -0.004 0.000 0.863 212 T HN 0.597 nan 8.240 nan 0.000 0.424 213 T N 1.406 115.910 114.554 -0.083 0.000 2.684 213 T HA -0.113 4.216 4.350 -0.034 0.000 0.267 213 T C 2.001 176.582 174.700 -0.197 0.000 1.036 213 T CA 1.553 63.588 62.100 -0.108 0.000 1.148 213 T CB -0.200 68.615 68.868 -0.088 0.000 0.863 213 T HN 0.412 nan 8.240 nan 0.000 0.436 214 K N 0.010 120.209 120.400 -0.335 0.000 2.062 214 K HA 0.029 4.328 4.320 -0.034 0.000 0.205 214 K C 1.394 177.552 176.600 -0.737 0.000 1.051 214 K CA 1.259 57.174 56.287 -0.619 0.000 0.941 214 K CB -0.105 31.816 32.500 -0.964 0.000 0.719 214 K HN 0.377 nan 8.250 nan 0.000 0.440 215 F N -0.057 119.655 119.950 -0.398 0.000 2.704 215 F HA 0.316 4.824 4.527 -0.031 0.000 0.304 215 F C 0.548 176.195 175.800 -0.254 0.000 1.094 215 F CA -0.561 57.125 58.000 -0.524 0.000 1.275 215 F CB 0.574 38.749 39.000 -1.376 0.000 1.073 215 F HN -0.146 nan 8.300 nan 0.000 0.586 216 M N 0.675 120.252 119.600 -0.039 0.000 2.456 216 M HA 0.370 4.830 4.480 -0.034 0.000 0.324 216 M C -0.337 175.959 176.300 -0.005 0.000 1.124 216 M CA -0.571 54.736 55.300 0.011 0.000 0.959 216 M CB 2.620 35.229 32.600 0.015 0.000 1.692 216 M HN -0.132 nan 8.290 nan 0.000 0.444 217 R N 2.537 123.047 120.500 0.017 0.000 2.265 217 R HA 0.206 4.525 4.340 -0.034 0.000 0.328 217 R C -0.286 176.027 176.300 0.022 0.000 0.969 217 R CA -0.271 55.835 56.100 0.011 0.000 0.832 217 R CB 0.527 30.837 30.300 0.016 0.000 1.139 217 R HN 0.813 nan 8.270 nan 0.000 0.457 218 N N 3.557 122.267 118.700 0.017 0.000 2.689 218 N HA -0.126 4.593 4.740 -0.034 0.000 0.263 218 N C -2.521 173.014 175.510 0.042 0.000 0.987 218 N CA 0.353 53.421 53.050 0.031 0.000 0.782 218 N CB -0.330 38.183 38.487 0.044 0.000 0.903 218 N HN 0.513 nan 8.380 nan 0.000 0.547 219 P HA 0.076 nan 4.420 nan 0.000 0.271 219 P C -0.241 177.054 177.300 -0.007 0.000 1.216 219 P CA -0.442 62.666 63.100 0.013 0.000 0.776 219 P CB 0.698 32.399 31.700 0.003 0.000 0.881 220 V N 5.154 125.033 119.914 -0.057 0.000 2.409 220 V HA 0.005 4.105 4.120 -0.034 0.000 0.270 220 V C 1.053 177.100 176.094 -0.078 0.000 1.019 220 V CA 0.356 62.573 62.300 -0.138 0.000 1.066 220 V CB -0.976 30.596 31.823 -0.418 0.000 1.021 220 V HN 0.419 nan 8.190 nan 0.000 0.476 221 R N 6.049 126.537 120.500 -0.019 0.000 2.216 221 R HA 0.598 4.918 4.340 -0.034 0.000 0.332 221 R C -0.684 175.624 176.300 0.013 0.000 1.056 221 R CA -0.198 55.901 56.100 -0.002 0.000 0.901 221 R CB 0.906 31.212 30.300 0.010 0.000 1.039 221 R HN 0.590 nan 8.270 nan 0.000 0.456 222 I N 4.081 124.653 120.570 0.003 0.000 2.509 222 I HA 0.311 4.461 4.170 -0.034 0.000 0.293 222 I C -1.041 175.084 176.117 0.013 0.000 1.020 222 I CA -1.183 60.126 61.300 0.016 0.000 1.088 222 I CB 2.052 40.058 38.000 0.009 0.000 1.267 222 I HN 0.328 nan 8.210 nan 0.000 0.430 223 L N 8.298 129.530 121.223 0.016 0.000 2.406 223 L HA 0.514 4.834 4.340 -0.034 0.000 0.270 223 L C -0.704 176.173 176.870 0.012 0.000 0.982 223 L CA -0.575 54.273 54.840 0.014 0.000 0.843 223 L CB 1.715 43.782 42.059 0.015 0.000 1.225 223 L HN 0.381 nan 8.230 nan 0.000 0.412 224 V N 2.494 122.415 119.914 0.012 0.000 2.334 224 V HA 0.530 4.629 4.120 -0.034 0.000 0.267 224 V C 0.089 176.192 176.094 0.015 0.000 1.040 224 V CA -0.712 61.594 62.300 0.010 0.000 0.866 224 V CB 0.287 32.113 31.823 0.006 0.000 1.019 224 V HN 0.741 nan 8.190 nan 0.000 0.468 225 K N 4.627 125.037 120.400 0.016 0.000 2.298 225 K HA 0.294 4.593 4.320 -0.034 0.000 0.280 225 K C 0.202 176.816 176.600 0.023 0.000 1.032 225 K CA -0.570 55.729 56.287 0.020 0.000 0.958 225 K CB 1.043 33.554 32.500 0.020 0.000 0.978 225 K HN 0.917 nan 8.250 nan 0.000 0.472 226 K N 1.577 121.994 120.400 0.028 0.000 2.489 226 K HA -0.036 4.263 4.320 -0.034 0.000 0.278 226 K C -0.390 176.230 176.600 0.034 0.000 1.000 226 K CA -0.296 56.011 56.287 0.033 0.000 1.012 226 K CB 0.426 32.950 32.500 0.039 0.000 0.903 226 K HN 0.385 nan 8.250 nan 0.000 0.485 227 D N 2.506 122.926 120.400 0.033 0.000 2.390 227 D HA -0.044 4.576 4.640 -0.034 0.000 0.249 227 D C -0.477 175.845 176.300 0.037 0.000 1.144 227 D CA -0.081 53.938 54.000 0.032 0.000 0.880 227 D CB 0.783 41.601 40.800 0.029 0.000 1.182 227 D HN 0.609 nan 8.370 nan 0.000 0.451 228 E N 2.931 123.151 120.200 0.034 0.000 2.392 228 E HA 0.133 4.463 4.350 -0.034 0.000 0.264 228 E C -0.408 176.211 176.600 0.031 0.000 1.024 228 E CA -0.411 56.011 56.400 0.037 0.000 0.903 228 E CB 0.578 30.298 29.700 0.032 0.000 0.963 228 E HN 0.452 nan 8.360 nan 0.000 0.432 229 L N 3.363 124.604 121.223 0.030 0.000 2.357 229 L HA 0.416 4.735 4.340 -0.034 0.000 0.273 229 L C 0.397 177.271 176.870 0.006 0.000 1.080 229 L CA -0.469 54.377 54.840 0.011 0.000 0.803 229 L CB 1.458 43.513 42.059 -0.006 0.000 1.174 229 L HN 0.697 nan 8.230 nan 0.000 0.443 230 T N -1.496 113.053 114.554 -0.009 0.000 2.841 230 T HA 0.458 4.787 4.350 -0.034 0.000 0.296 230 T C 0.185 174.861 174.700 -0.041 0.000 1.166 230 T CA -0.872 61.224 62.100 -0.007 0.000 1.007 230 T CB 1.648 70.520 68.868 0.006 0.000 1.253 230 T HN 0.220 nan 8.240 nan 0.000 0.511 231 L N 0.118 121.320 121.223 -0.036 0.000 2.616 231 L HA 0.324 4.643 4.340 -0.034 0.000 0.229 231 L C 2.086 178.933 176.870 -0.038 0.000 1.110 231 L CA 0.624 55.427 54.840 -0.062 0.000 0.884 231 L CB -1.281 40.742 42.059 -0.061 0.000 1.115 231 L HN 0.814 nan 8.230 nan 0.000 0.481 232 E N 0.505 120.695 120.200 -0.018 0.000 2.333 232 E HA -0.109 4.220 4.350 -0.034 0.000 0.198 232 E C 1.998 178.588 176.600 -0.017 0.000 1.007 232 E CA 0.943 57.336 56.400 -0.012 0.000 0.845 232 E CB 0.081 29.780 29.700 -0.001 0.000 0.766 232 E HN 0.507 nan 8.360 nan 0.000 0.507 233 G N 1.311 110.099 108.800 -0.020 0.000 2.603 233 G HA2 0.081 4.020 3.960 -0.034 0.000 0.214 233 G HA3 0.081 4.020 3.960 -0.034 0.000 0.214 233 G C 0.682 175.569 174.900 -0.021 0.000 1.140 233 G CA 0.055 45.146 45.100 -0.015 0.000 0.800 233 G HN 0.172 nan 8.290 nan 0.000 0.533 234 I N -3.068 117.478 120.570 -0.039 0.000 2.603 234 I HA 0.621 4.771 4.170 -0.034 0.000 0.300 234 I C -0.562 175.505 176.117 -0.083 0.000 1.017 234 I CA -1.984 59.287 61.300 -0.048 0.000 1.098 234 I CB 2.216 40.184 38.000 -0.055 0.000 1.279 234 I HN -0.285 nan 8.210 nan 0.000 0.437 235 K N 4.450 124.790 120.400 -0.101 0.000 2.253 235 K HA 0.372 4.672 4.320 -0.034 0.000 0.277 235 K C -0.888 175.472 176.600 -0.399 0.000 1.053 235 K CA -0.498 55.645 56.287 -0.239 0.000 0.892 235 K CB 0.757 33.150 32.500 -0.179 0.000 1.102 235 K HN 0.838 nan 8.250 nan 0.000 0.469 236 Q N 3.842 123.361 119.800 -0.469 0.000 2.293 236 Q HA 0.411 4.731 4.340 -0.034 0.000 0.261 236 Q C -0.958 174.737 176.000 -0.509 0.000 0.960 236 Q CA -0.699 54.905 55.803 -0.331 0.000 0.882 236 Q CB 1.231 29.933 28.738 -0.060 0.000 1.275 236 Q HN 0.299 nan 8.270 nan 0.000 0.445 237 F N 0.859 120.888 119.950 0.132 0.000 2.712 237 F HA 0.687 5.194 4.527 -0.034 0.000 0.367 237 F C -0.514 175.428 175.800 0.236 0.000 1.132 237 F CA -1.127 56.950 58.000 0.129 0.000 1.066 237 F CB 1.390 40.408 39.000 0.030 0.000 1.416 237 F HN 0.658 nan 8.300 nan 0.000 0.515 238 Y N -2.131 118.347 120.300 0.296 0.000 2.638 238 Y HA 0.816 5.346 4.550 -0.034 0.000 0.335 238 Y C -2.124 173.848 175.900 0.120 0.000 1.155 238 Y CA -1.671 56.547 58.100 0.196 0.000 1.046 238 Y CB 1.321 39.861 38.460 0.132 0.000 1.303 238 Y HN 0.308 nan 8.280 nan 0.000 0.460 239 V N 2.658 122.668 119.914 0.161 0.000 2.488 239 V HA 0.246 4.346 4.120 -0.034 0.000 0.293 239 V C -0.705 175.387 176.094 -0.002 0.000 1.027 239 V CA -0.887 61.368 62.300 -0.075 0.000 0.862 239 V CB 1.349 33.030 31.823 -0.236 0.000 1.008 239 V HN 0.783 nan 8.190 nan 0.000 0.428 240 N N 3.787 122.521 118.700 0.057 0.000 2.454 240 N HA 0.005 4.724 4.740 -0.034 0.000 0.285 240 N C 1.149 176.624 175.510 -0.058 0.000 1.233 240 N CA 0.254 53.342 53.050 0.063 0.000 1.036 240 N CB 1.107 39.657 38.487 0.105 0.000 1.423 240 N HN 0.655 nan 8.380 nan 0.000 0.495 241 V N 0.236 120.089 119.914 -0.100 0.000 3.078 241 V HA -0.058 4.042 4.120 -0.034 0.000 0.265 241 V C 0.963 177.052 176.094 -0.010 0.000 1.122 241 V CA 1.201 63.431 62.300 -0.117 0.000 1.141 241 V CB -1.023 30.709 31.823 -0.152 0.000 0.735 241 V HN 0.722 nan 8.190 nan 0.000 0.498 242 E N -0.874 119.333 120.200 0.011 0.000 4.234 242 E HA -0.243 4.087 4.350 -0.034 0.000 0.187 242 E C 0.286 176.957 176.600 0.119 0.000 1.237 242 E CA 1.948 58.376 56.400 0.046 0.000 2.362 242 E CB -1.105 28.591 29.700 -0.006 0.000 1.813 242 E HN 0.725 nan 8.360 nan 0.000 0.402 243 E N 0.215 120.574 120.200 0.264 0.000 2.244 243 E HA 0.224 4.553 4.350 -0.034 0.000 0.266 243 E C 0.473 177.154 176.600 0.136 0.000 0.914 243 E CA -0.184 56.347 56.400 0.219 0.000 0.794 243 E CB 1.679 31.533 29.700 0.257 0.000 1.210 243 E HN 0.206 nan 8.360 nan 0.000 0.414 244 E N 1.912 122.134 120.200 0.037 0.000 2.118 244 E HA -0.230 4.100 4.350 -0.034 0.000 0.195 244 E C 1.360 177.947 176.600 -0.021 0.000 0.992 244 E CA 2.086 58.495 56.400 0.016 0.000 0.804 244 E CB 0.021 29.731 29.700 0.018 0.000 0.741 244 E HN 0.619 nan 8.360 nan 0.000 0.458 245 E N -1.192 118.912 120.200 -0.160 0.000 2.401 245 E HA -0.215 4.114 4.350 -0.034 0.000 0.199 245 E C 1.088 177.524 176.600 -0.273 0.000 1.023 245 E CA 1.053 57.295 56.400 -0.264 0.000 0.859 245 E CB -0.419 29.019 29.700 -0.436 0.000 0.780 245 E HN 0.523 nan 8.360 nan 0.000 0.523 246 Y N 0.771 121.105 120.300 0.056 0.000 2.449 246 Y HA 0.241 4.770 4.550 -0.034 0.000 0.254 246 Y C 1.953 177.879 175.900 0.043 0.000 1.140 246 Y CA -0.373 57.753 58.100 0.043 0.000 1.272 246 Y CB 0.405 38.859 38.460 -0.009 0.000 1.114 246 Y HN -0.118 nan 8.280 nan 0.000 0.525 247 K N 0.074 120.569 120.400 0.158 0.000 2.020 247 K HA -0.275 4.025 4.320 -0.034 0.000 0.212 247 K C 1.725 178.545 176.600 0.366 0.000 1.050 247 K CA 2.149 58.499 56.287 0.105 0.000 0.929 247 K CB -0.478 31.904 32.500 -0.197 0.000 0.714 247 K HN 0.319 nan 8.250 nan 0.000 0.443 248 Y N 2.096 122.617 120.300 0.368 0.000 2.224 248 Y HA -0.274 4.256 4.550 -0.034 0.000 0.289 248 Y C 2.392 178.463 175.900 0.285 0.000 1.146 248 Y CA 1.902 60.244 58.100 0.403 0.000 1.182 248 Y CB -0.165 38.463 38.460 0.280 0.000 0.983 248 Y HN 0.135 nan 8.280 nan 0.000 0.524 249 E N -0.261 120.106 120.200 0.279 0.000 2.049 249 E HA -0.243 4.086 4.350 -0.034 0.000 0.198 249 E C 2.153 178.799 176.600 0.075 0.000 1.007 249 E CA 2.362 58.864 56.400 0.169 0.000 0.809 249 E CB -0.849 28.983 29.700 0.219 0.000 0.749 249 E HN 0.520 nan 8.360 nan 0.000 0.450 250 C N 0.166 119.498 119.300 0.054 0.000 2.422 250 C HA -0.040 4.400 4.460 -0.034 0.000 0.279 250 C C 2.547 177.603 174.990 0.111 0.000 1.305 250 C CA 0.477 59.477 59.018 -0.030 0.000 1.757 250 C CB -1.198 26.348 27.740 -0.324 0.000 1.962 250 C HN 0.503 nan 8.230 nan 0.000 0.499 251 L N 2.188 123.561 121.223 0.251 0.000 1.976 251 L HA -0.125 4.194 4.340 -0.034 0.000 0.209 251 L C 2.875 179.838 176.870 0.155 0.000 1.071 251 L CA 2.865 57.873 54.840 0.282 0.000 0.746 251 L CB -1.327 40.861 42.059 0.216 0.000 0.890 251 L HN 0.481 nan 8.230 nan 0.000 0.432 252 T N -3.812 110.726 114.554 -0.026 0.000 2.759 252 T HA -0.182 4.148 4.350 -0.034 0.000 0.269 252 T C 1.622 176.430 174.700 0.180 0.000 1.042 252 T CA 1.395 63.553 62.100 0.097 0.000 1.140 252 T CB -0.724 68.139 68.868 -0.009 0.000 0.864 252 T HN 0.303 nan 8.240 nan 0.000 0.455 253 D N 0.877 121.340 120.400 0.104 0.000 2.219 253 D HA 0.048 4.667 4.640 -0.034 0.000 0.205 253 D C 1.842 178.189 176.300 0.079 0.000 0.970 253 D CA 0.297 54.346 54.000 0.081 0.000 0.851 253 D CB -0.410 40.412 40.800 0.036 0.000 0.943 253 D HN 0.256 nan 8.370 nan 0.000 0.488 254 L N -0.525 120.752 121.223 0.090 0.000 2.217 254 L HA -0.095 4.224 4.340 -0.034 0.000 0.211 254 L C 1.382 178.233 176.870 -0.032 0.000 1.107 254 L CA 1.341 56.192 54.840 0.018 0.000 0.783 254 L CB -0.419 41.656 42.059 0.027 0.000 0.919 254 L HN 0.042 nan 8.230 nan 0.000 0.442 255 Y N -1.074 119.284 120.300 0.097 0.000 2.529 255 Y HA -0.039 4.490 4.550 -0.034 0.000 0.290 255 Y C 1.692 177.642 175.900 0.083 0.000 1.177 255 Y CA 0.483 58.659 58.100 0.126 0.000 1.305 255 Y CB -0.078 38.536 38.460 0.255 0.000 1.047 255 Y HN 0.247 nan 8.280 nan 0.000 0.522 256 D N -2.057 118.444 120.400 0.169 0.000 2.346 256 D HA -0.007 4.613 4.640 -0.034 0.000 0.206 256 D C 1.831 178.160 176.300 0.049 0.000 1.001 256 D CA 0.701 54.761 54.000 0.098 0.000 0.871 256 D CB 0.276 41.121 40.800 0.076 0.000 0.943 256 D HN 0.086 nan 8.370 nan 0.000 0.518 257 S N -0.101 115.615 115.700 0.025 0.000 2.452 257 S HA 0.172 4.622 4.470 -0.034 0.000 0.225 257 S C 0.791 175.378 174.600 -0.020 0.000 1.057 257 S CA 0.001 58.195 58.200 -0.010 0.000 0.949 257 S CB 0.518 63.698 63.200 -0.034 0.000 0.836 257 S HN 0.238 nan 8.310 nan 0.000 0.518 258 I N -0.884 119.665 120.570 -0.035 0.000 2.740 258 I HA 0.651 4.801 4.170 -0.034 0.000 0.303 258 I C -0.230 175.875 176.117 -0.020 0.000 1.044 258 I CA -1.038 60.237 61.300 -0.042 0.000 1.064 258 I CB 1.776 39.732 38.000 -0.073 0.000 1.249 258 I HN -0.119 nan 8.210 nan 0.000 0.433 259 S N 2.962 118.661 115.700 -0.001 0.000 2.489 259 S HA 0.728 5.177 4.470 -0.034 0.000 0.277 259 S C -0.608 174.009 174.600 0.027 0.000 1.230 259 S CA -0.367 57.852 58.200 0.030 0.000 1.053 259 S CB 0.473 63.690 63.200 0.027 0.000 0.955 259 S HN 0.560 nan 8.310 nan 0.000 0.488 260 V N 5.042 125.001 119.914 0.074 0.000 2.588 260 V HA 0.359 4.458 4.120 -0.034 0.000 0.304 260 V C 1.265 177.427 176.094 0.114 0.000 1.042 260 V CA -0.190 62.161 62.300 0.085 0.000 0.877 260 V CB 1.996 33.876 31.823 0.096 0.000 0.996 260 V HN 1.135 nan 8.190 nan 0.000 0.425 261 T N 2.332 116.931 114.554 0.075 0.000 2.684 261 T HA 0.166 4.495 4.350 -0.034 0.000 0.253 261 T C 0.475 175.213 174.700 0.063 0.000 1.057 261 T CA 0.510 62.641 62.100 0.052 0.000 1.162 261 T CB 0.127 69.006 68.868 0.019 0.000 0.868 261 T HN 0.567 nan 8.240 nan 0.000 0.409 262 Q N -0.053 119.789 119.800 0.070 0.000 2.416 262 Q HA 0.721 5.040 4.340 -0.034 0.000 0.281 262 Q C -1.723 174.385 176.000 0.181 0.000 1.067 262 Q CA -1.063 54.806 55.803 0.109 0.000 0.809 262 Q CB 2.654 31.368 28.738 -0.041 0.000 1.418 262 Q HN 0.671 nan 8.270 nan 0.000 0.411 263 A N 0.976 123.953 122.820 0.262 0.000 2.539 263 A HA 0.809 5.108 4.320 -0.034 0.000 0.296 263 A C -1.416 176.245 177.584 0.129 0.000 1.073 263 A CA -0.514 51.632 52.037 0.183 0.000 0.700 263 A CB 1.791 20.881 19.000 0.150 0.000 1.296 263 A HN 0.354 nan 8.150 nan 0.000 0.405 264 V N 2.308 122.225 119.914 0.006 0.000 2.409 264 V HA 0.423 4.523 4.120 -0.034 0.000 0.291 264 V C -0.520 175.418 176.094 -0.261 0.000 1.020 264 V CA -0.138 62.041 62.300 -0.202 0.000 0.848 264 V CB 1.169 32.843 31.823 -0.249 0.000 0.990 264 V HN 0.685 nan 8.190 nan 0.000 0.430 265 I N 4.835 125.201 120.570 -0.340 0.000 2.377 265 I HA 0.502 4.652 4.170 -0.034 0.000 0.293 265 I C -0.787 175.101 176.117 -0.381 0.000 0.987 265 I CA -0.284 60.861 61.300 -0.258 0.000 1.185 265 I CB 1.509 39.395 38.000 -0.189 0.000 1.341 265 I HN 0.394 nan 8.210 nan 0.000 0.455 266 F N 4.133 124.064 119.950 -0.032 0.000 2.443 266 F HA 0.542 5.048 4.527 -0.034 0.000 0.335 266 F C 0.111 175.933 175.800 0.036 0.000 1.104 266 F CA -0.322 57.675 58.000 -0.005 0.000 1.013 266 F CB 1.616 40.618 39.000 0.005 0.000 1.136 266 F HN 0.394 nan 8.300 nan 0.000 0.470 267 C N 2.027 121.465 119.300 0.231 0.000 2.889 267 C HA 0.315 4.755 4.460 -0.034 0.000 0.307 267 C C 1.130 176.216 174.990 0.160 0.000 1.251 267 C CA -0.893 58.233 59.018 0.180 0.000 1.593 267 C CB 1.977 29.776 27.740 0.099 0.000 2.104 267 C HN 0.826 nan 8.230 nan 0.000 0.476 268 N N 0.703 119.480 118.700 0.128 0.000 2.207 268 N HA -0.026 4.693 4.740 -0.034 0.000 0.182 268 N C 0.777 176.329 175.510 0.070 0.000 1.020 268 N CA 1.137 54.243 53.050 0.094 0.000 0.858 268 N CB -0.166 38.367 38.487 0.076 0.000 0.991 268 N HN 0.913 nan 8.380 nan 0.000 0.427 269 T N -2.322 112.265 114.554 0.055 0.000 2.945 269 T HA 0.362 4.691 4.350 -0.034 0.000 0.286 269 T C 1.074 175.772 174.700 -0.005 0.000 1.025 269 T CA -0.850 61.264 62.100 0.022 0.000 1.039 269 T CB 2.794 71.667 68.868 0.009 0.000 1.068 269 T HN -0.001 nan 8.240 nan 0.000 0.497 270 R N 0.580 121.052 120.500 -0.047 0.000 2.075 270 R HA -0.054 4.265 4.340 -0.034 0.000 0.232 270 R C 2.461 178.647 176.300 -0.189 0.000 1.126 270 R CA 1.090 57.100 56.100 -0.150 0.000 0.963 270 R CB -0.264 29.878 30.300 -0.263 0.000 0.858 270 R HN 0.816 nan 8.270 nan 0.000 0.435 271 R N 0.983 121.403 120.500 -0.134 0.000 2.094 271 R HA -0.208 4.111 4.340 -0.034 0.000 0.239 271 R C 2.293 178.541 176.300 -0.088 0.000 1.137 271 R CA 2.305 58.337 56.100 -0.114 0.000 0.943 271 R CB -0.208 30.050 30.300 -0.071 0.000 0.850 271 R HN 0.146 nan 8.270 nan 0.000 0.433 272 K N -0.168 120.202 120.400 -0.050 0.000 2.097 272 K HA -0.075 4.224 4.320 -0.034 0.000 0.205 272 K C 1.887 178.439 176.600 -0.080 0.000 1.050 272 K CA 1.252 57.518 56.287 -0.035 0.000 0.938 272 K CB 0.084 32.604 32.500 0.034 0.000 0.718 272 K HN 0.082 nan 8.250 nan 0.000 0.442 273 V N 1.798 121.668 119.914 -0.074 0.000 2.332 273 V HA -0.255 3.845 4.120 -0.034 0.000 0.248 273 V C 1.935 177.975 176.094 -0.090 0.000 1.055 273 V CA 2.067 64.320 62.300 -0.078 0.000 1.038 273 V CB -0.360 31.449 31.823 -0.022 0.000 0.651 273 V HN 0.410 nan 8.190 nan 0.000 0.450 274 E N -0.677 119.457 120.200 -0.110 0.000 2.158 274 E HA -0.163 4.166 4.350 -0.034 0.000 0.191 274 E C 2.226 178.772 176.600 -0.090 0.000 0.982 274 E CA 0.884 57.226 56.400 -0.097 0.000 0.823 274 E CB -0.030 29.581 29.700 -0.148 0.000 0.766 274 E HN 0.677 nan 8.360 nan 0.000 0.468 275 E N 0.721 120.861 120.200 -0.100 0.000 2.047 275 E HA -0.178 4.151 4.350 -0.034 0.000 0.191 275 E C 2.092 178.614 176.600 -0.129 0.000 0.987 275 E CA 0.596 56.935 56.400 -0.100 0.000 0.799 275 E CB -0.035 29.613 29.700 -0.085 0.000 0.752 275 E HN 0.062 nan 8.360 nan 0.000 0.449 276 L N 1.134 122.261 121.223 -0.159 0.000 2.079 276 L HA -0.175 4.145 4.340 -0.034 0.000 0.210 276 L C 2.175 178.964 176.870 -0.135 0.000 1.081 276 L CA 1.848 56.565 54.840 -0.205 0.000 0.752 276 L CB -0.688 41.148 42.059 -0.373 0.000 0.896 276 L HN 0.061 nan 8.230 nan 0.000 0.433 277 T N -1.014 113.473 114.554 -0.112 0.000 2.674 277 T HA -0.190 4.139 4.350 -0.034 0.000 0.265 277 T C 1.770 176.448 174.700 -0.035 0.000 1.039 277 T CA 2.225 64.284 62.100 -0.067 0.000 1.150 277 T CB -0.576 68.266 68.868 -0.044 0.000 0.864 277 T HN 0.689 nan 8.240 nan 0.000 0.427 278 T N 0.764 115.291 114.554 -0.045 0.000 2.867 278 T HA -0.015 4.315 4.350 -0.034 0.000 0.268 278 T C 1.872 176.553 174.700 -0.032 0.000 1.057 278 T CA 0.909 62.991 62.100 -0.030 0.000 1.136 278 T CB -0.241 68.603 68.868 -0.040 0.000 0.874 278 T HN 0.333 nan 8.240 nan 0.000 0.466 279 K N 0.846 121.195 120.400 -0.085 0.000 2.026 279 K HA 0.089 4.388 4.320 -0.034 0.000 0.208 279 K C 2.337 178.975 176.600 0.063 0.000 1.048 279 K CA 1.288 57.491 56.287 -0.139 0.000 0.929 279 K CB -0.450 31.773 32.500 -0.463 0.000 0.713 279 K HN 0.337 nan 8.250 nan 0.000 0.439 280 L N 0.620 121.920 121.223 0.128 0.000 2.083 280 L HA -0.173 4.146 4.340 -0.034 0.000 0.209 280 L C 2.468 179.521 176.870 0.305 0.000 1.083 280 L CA 1.159 56.142 54.840 0.239 0.000 0.752 280 L CB -0.335 41.700 42.059 -0.040 0.000 0.899 280 L HN 0.169 nan 8.230 nan 0.000 0.433 281 R N -0.179 120.413 120.500 0.153 0.000 2.120 281 R HA -0.117 4.203 4.340 -0.034 0.000 0.234 281 R C 1.962 178.319 176.300 0.096 0.000 1.123 281 R CA 1.145 57.315 56.100 0.117 0.000 0.975 281 R CB -0.435 29.901 30.300 0.060 0.000 0.866 281 R HN 0.418 nan 8.270 nan 0.000 0.446 282 N N 0.943 119.697 118.700 0.090 0.000 2.223 282 N HA -0.119 4.600 4.740 -0.034 0.000 0.185 282 N C 0.550 176.112 175.510 0.087 0.000 1.016 282 N CA 1.178 54.268 53.050 0.068 0.000 0.863 282 N CB -0.161 38.354 38.487 0.046 0.000 0.983 282 N HN 0.136 nan 8.380 nan 0.000 0.429 283 D N 0.621 121.120 120.400 0.165 0.000 2.370 283 D HA 0.085 4.705 4.640 -0.034 0.000 0.230 283 D C 0.091 176.365 176.300 -0.043 0.000 1.143 283 D CA 0.058 54.136 54.000 0.129 0.000 0.834 283 D CB 0.026 41.013 40.800 0.310 0.000 0.944 283 D HN 0.203 nan 8.370 nan 0.000 0.504 284 K N -0.787 119.606 120.400 -0.012 0.000 3.281 284 K HA -0.207 4.093 4.320 -0.034 0.000 0.295 284 K C -0.132 176.371 176.600 -0.162 0.000 1.233 284 K CA 0.289 56.523 56.287 -0.088 0.000 0.866 284 K CB -1.919 30.502 32.500 -0.132 0.000 1.265 284 K HN 0.179 nan 8.250 nan 0.000 0.482 285 F N 0.929 120.851 119.950 -0.048 0.000 2.406 285 F HA 0.099 4.605 4.527 -0.034 0.000 0.327 285 F C 1.435 177.209 175.800 -0.043 0.000 1.153 285 F CA 0.215 58.167 58.000 -0.080 0.000 1.218 285 F CB 0.914 39.848 39.000 -0.110 0.000 1.215 285 F HN -0.200 nan 8.300 nan 0.000 0.570 286 T N 2.837 117.496 114.554 0.175 0.000 2.874 286 T HA 0.499 4.828 4.350 -0.034 0.000 0.321 286 T C -0.697 174.077 174.700 0.123 0.000 1.075 286 T CA -0.617 61.549 62.100 0.110 0.000 0.966 286 T CB 0.376 69.285 68.868 0.069 0.000 1.001 286 T HN 0.472 nan 8.240 nan 0.000 0.476 287 V N 0.895 120.864 119.914 0.091 0.000 2.769 287 V HA 0.889 4.989 4.120 -0.034 0.000 0.312 287 V C -0.277 175.839 176.094 0.036 0.000 1.061 287 V CA -0.720 61.615 62.300 0.057 0.000 0.931 287 V CB 2.228 34.052 31.823 0.002 0.000 1.010 287 V HN 0.631 nan 8.190 nan 0.000 0.433 288 S N 2.463 118.166 115.700 0.005 0.000 2.501 288 S HA 0.911 5.360 4.470 -0.034 0.000 0.301 288 S C -0.089 174.446 174.600 -0.109 0.000 1.096 288 S CA -0.115 58.062 58.200 -0.037 0.000 1.063 288 S CB 1.548 64.732 63.200 -0.027 0.000 1.042 288 S HN 1.584 nan 8.310 nan 0.000 0.494 289 A N 2.976 125.753 122.820 -0.071 0.000 2.356 289 A HA 0.842 5.141 4.320 -0.034 0.000 0.310 289 A C -0.556 176.980 177.584 -0.079 0.000 1.075 289 A CA -0.832 51.175 52.037 -0.049 0.000 0.746 289 A CB 0.541 19.571 19.000 0.050 0.000 1.221 289 A HN 0.878 nan 8.150 nan 0.000 0.443 290 I N 0.001 120.513 120.570 -0.096 0.000 2.545 290 I HA 0.908 5.057 4.170 -0.034 0.000 0.292 290 I C -0.912 175.173 176.117 -0.054 0.000 1.040 290 I CA -0.994 60.186 61.300 -0.200 0.000 1.068 290 I CB 1.795 39.689 38.000 -0.178 0.000 1.251 290 I HN 0.766 nan 8.210 nan 0.000 0.424 291 Y N 1.539 121.820 120.300 -0.032 0.000 2.818 291 Y HA 0.584 5.114 4.550 -0.034 0.000 0.322 291 Y C 0.754 176.651 175.900 -0.006 0.000 1.323 291 Y CA -1.093 56.999 58.100 -0.014 0.000 1.090 291 Y CB 0.523 38.975 38.460 -0.014 0.000 1.328 291 Y HN 0.440 nan 8.280 nan 0.000 0.482 292 S N -0.063 115.763 115.700 0.209 0.000 2.368 292 S HA -0.148 4.301 4.470 -0.034 0.000 0.224 292 S C 0.920 175.575 174.600 0.092 0.000 1.029 292 S CA 1.560 59.822 58.200 0.104 0.000 0.988 292 S CB -0.375 62.881 63.200 0.094 0.000 0.838 292 S HN 0.741 nan 8.310 nan 0.000 0.462 293 D N 1.275 121.794 120.400 0.199 0.000 2.351 293 D HA 0.029 4.648 4.640 -0.034 0.000 0.216 293 D C 0.338 176.680 176.300 0.070 0.000 0.968 293 D CA 0.380 54.471 54.000 0.151 0.000 0.899 293 D CB -0.304 40.621 40.800 0.209 0.000 0.907 293 D HN 0.347 nan 8.370 nan 0.000 0.514 294 L N 1.561 122.752 121.223 -0.053 0.000 2.380 294 L HA 0.191 4.510 4.340 -0.034 0.000 0.273 294 L C -2.005 174.815 176.870 -0.084 0.000 1.138 294 L CA -1.734 53.014 54.840 -0.154 0.000 0.832 294 L CB 0.440 42.262 42.059 -0.395 0.000 1.124 294 L HN -0.288 nan 8.230 nan 0.000 0.454 295 P HA -0.010 nan 4.420 nan 0.000 0.269 295 P C 0.026 177.301 177.300 -0.042 0.000 1.209 295 P CA -0.240 62.840 63.100 -0.034 0.000 0.776 295 P CB 0.656 32.342 31.700 -0.022 0.000 0.876 296 Q N 2.184 121.969 119.800 -0.025 0.000 2.152 296 Q HA -0.277 4.043 4.340 -0.034 0.000 0.206 296 Q C 1.786 177.773 176.000 -0.021 0.000 0.985 296 Q CA 2.001 57.791 55.803 -0.021 0.000 0.863 296 Q CB -0.555 28.181 28.738 -0.005 0.000 0.904 296 Q HN 0.374 nan 8.270 nan 0.000 0.422 297 Q N 0.041 119.832 119.800 -0.015 0.000 2.062 297 Q HA -0.252 4.067 4.340 -0.034 0.000 0.209 297 Q C 2.044 178.029 176.000 -0.024 0.000 0.996 297 Q CA 1.994 57.790 55.803 -0.012 0.000 0.859 297 Q CB -0.511 28.223 28.738 -0.008 0.000 0.920 297 Q HN 0.471 nan 8.270 nan 0.000 0.415 298 E N 1.057 121.233 120.200 -0.040 0.000 2.038 298 E HA -0.166 4.163 4.350 -0.034 0.000 0.195 298 E C 2.031 178.588 176.600 -0.071 0.000 1.000 298 E CA 1.492 57.857 56.400 -0.058 0.000 0.803 298 E CB -0.079 29.571 29.700 -0.084 0.000 0.750 298 E HN 0.284 nan 8.360 nan 0.000 0.448 299 R N 0.437 120.883 120.500 -0.090 0.000 2.094 299 R HA -0.174 4.146 4.340 -0.034 0.000 0.239 299 R C 2.105 178.376 176.300 -0.049 0.000 1.137 299 R CA 1.635 57.680 56.100 -0.091 0.000 0.943 299 R CB -0.633 29.614 30.300 -0.088 0.000 0.850 299 R HN 0.279 nan 8.270 nan 0.000 0.433 300 D N -0.107 120.276 120.400 -0.028 0.000 2.116 300 D HA -0.145 4.475 4.640 -0.034 0.000 0.193 300 D C 1.906 178.207 176.300 0.001 0.000 0.998 300 D CA 1.803 55.800 54.000 -0.005 0.000 0.836 300 D CB -0.482 40.319 40.800 0.003 0.000 0.951 300 D HN 0.244 nan 8.370 nan 0.000 0.449 301 T N 1.292 115.842 114.554 -0.006 0.000 2.737 301 T HA -0.088 4.241 4.350 -0.034 0.000 0.265 301 T C 1.991 176.696 174.700 0.008 0.000 1.038 301 T CA 0.435 62.535 62.100 0.001 0.000 1.144 301 T CB -0.092 68.772 68.868 -0.006 0.000 0.866 301 T HN 0.054 nan 8.240 nan 0.000 0.434 302 I N 1.543 122.107 120.570 -0.010 0.000 2.151 302 I HA -0.186 3.964 4.170 -0.034 0.000 0.243 302 I C 2.361 178.502 176.117 0.039 0.000 1.080 302 I CA 1.726 63.023 61.300 -0.005 0.000 1.339 302 I CB -1.089 36.875 38.000 -0.059 0.000 1.039 302 I HN 0.358 nan 8.210 nan 0.000 0.409 303 M N -0.291 119.324 119.600 0.025 0.000 2.254 303 M HA -0.165 4.295 4.480 -0.034 0.000 0.265 303 M C 2.279 178.659 176.300 0.134 0.000 1.066 303 M CA 1.236 56.581 55.300 0.075 0.000 1.123 303 M CB -0.364 32.254 32.600 0.029 0.000 1.388 303 M HN 0.163 nan 8.290 nan 0.000 0.425 304 K N 1.197 121.642 120.400 0.075 0.000 2.001 304 K HA -0.160 4.140 4.320 -0.034 0.000 0.208 304 K C 1.607 178.237 176.600 0.051 0.000 1.048 304 K CA 1.530 57.849 56.287 0.053 0.000 0.932 304 K CB 0.026 32.541 32.500 0.025 0.000 0.715 304 K HN 0.328 nan 8.250 nan 0.000 0.437 305 E N -0.329 119.905 120.200 0.056 0.000 2.153 305 E HA -0.186 4.143 4.350 -0.034 0.000 0.194 305 E C 1.796 178.437 176.600 0.069 0.000 0.988 305 E CA 1.058 57.485 56.400 0.044 0.000 0.811 305 E CB -0.157 29.567 29.700 0.041 0.000 0.746 305 E HN 0.337 nan 8.360 nan 0.000 0.466 306 F N 1.739 121.676 119.950 -0.021 0.000 2.113 306 F HA -0.072 4.434 4.527 -0.035 0.000 0.297 306 F C 1.989 177.781 175.800 -0.014 0.000 1.103 306 F CA 1.290 59.279 58.000 -0.018 0.000 1.248 306 F CB 0.092 39.078 39.000 -0.025 0.000 0.999 306 F HN -0.260 nan 8.300 nan 0.000 0.475 307 R N 0.093 120.591 120.500 -0.004 0.000 2.328 307 R HA -0.057 4.262 4.340 -0.034 0.000 0.207 307 R C 1.990 178.206 176.300 -0.141 0.000 1.056 307 R CA 0.992 57.028 56.100 -0.107 0.000 1.016 307 R CB -0.505 29.829 30.300 0.057 0.000 0.872 307 R HN 0.443 nan 8.270 nan 0.000 0.471 308 S N -1.727 113.899 115.700 -0.123 0.000 2.517 308 S HA 0.175 4.625 4.470 -0.034 0.000 0.214 308 S C 1.332 175.855 174.600 -0.128 0.000 0.991 308 S CA 0.311 58.449 58.200 -0.104 0.000 0.906 308 S CB 1.076 64.236 63.200 -0.066 0.000 0.789 308 S HN 0.398 nan 8.310 nan 0.000 0.513 309 G N 0.610 109.294 108.800 -0.192 0.000 2.184 309 G HA2 -0.254 3.685 3.960 -0.034 0.000 0.206 309 G HA3 -0.254 3.685 3.960 -0.034 0.000 0.206 309 G C 0.938 175.768 174.900 -0.117 0.000 0.995 309 G CA 0.302 45.294 45.100 -0.179 0.000 0.651 309 G HN 0.461 nan 8.290 nan 0.000 0.511 310 S N 0.148 115.799 115.700 -0.081 0.000 2.353 310 S HA 0.096 4.545 4.470 -0.034 0.000 0.222 310 S C 1.669 176.269 174.600 -0.001 0.000 1.035 310 S CA 1.659 59.843 58.200 -0.026 0.000 1.025 310 S CB -0.187 63.014 63.200 0.003 0.000 0.902 310 S HN 1.671 nan 8.310 nan 0.000 0.440 311 S N 0.029 115.748 115.700 0.031 0.000 2.664 311 S HA 0.593 5.042 4.470 -0.034 0.000 0.304 311 S C 0.100 174.743 174.600 0.073 0.000 1.099 311 S CA -1.016 57.249 58.200 0.109 0.000 1.003 311 S CB 1.781 65.118 63.200 0.229 0.000 1.092 311 S HN 0.266 nan 8.310 nan 0.000 0.525 312 R N -0.209 120.379 120.500 0.147 0.000 2.476 312 R HA 0.475 4.795 4.340 -0.034 0.000 0.276 312 R C -0.584 175.907 176.300 0.318 0.000 0.941 312 R CA 0.119 56.307 56.100 0.145 0.000 1.088 312 R CB 0.149 30.514 30.300 0.108 0.000 1.216 312 R HN 0.580 nan 8.270 nan 0.000 0.533 313 I N 1.450 122.239 120.570 0.364 0.000 2.607 313 I HA 0.257 4.406 4.170 -0.034 0.000 0.290 313 I C -1.581 174.560 176.117 0.040 0.000 1.129 313 I CA -1.252 60.183 61.300 0.225 0.000 1.042 313 I CB 2.689 40.722 38.000 0.055 0.000 1.242 313 I HN -0.151 nan 8.210 nan 0.000 0.421 314 L N 7.961 129.033 121.223 -0.252 0.000 2.342 314 L HA 0.608 4.927 4.340 -0.034 0.000 0.276 314 L C -1.238 175.380 176.870 -0.420 0.000 0.997 314 L CA -0.167 54.341 54.840 -0.553 0.000 0.838 314 L CB 1.207 42.513 42.059 -1.255 0.000 1.224 314 L HN 0.360 nan 8.230 nan 0.000 0.416 315 I N 4.115 124.501 120.570 -0.307 0.000 2.315 315 I HA 0.560 4.710 4.170 -0.034 0.000 0.291 315 I C 0.335 176.304 176.117 -0.247 0.000 1.006 315 I CA 0.314 61.448 61.300 -0.276 0.000 1.265 315 I CB 1.529 39.416 38.000 -0.189 0.000 1.387 315 I HN 0.666 nan 8.210 nan 0.000 0.475 316 S N 3.866 119.377 115.700 -0.315 0.000 2.570 316 S HA 0.733 5.183 4.470 -0.034 0.000 0.286 316 S C -0.096 174.529 174.600 0.041 0.000 1.099 316 S CA -0.603 57.494 58.200 -0.171 0.000 0.913 316 S CB 1.093 64.130 63.200 -0.272 0.000 1.085 316 S HN 0.710 nan 8.310 nan 0.000 0.480 317 T N 1.077 115.709 114.554 0.131 0.000 2.788 317 T HA 0.293 4.623 4.350 -0.034 0.000 0.287 317 T C 0.731 175.583 174.700 0.252 0.000 1.007 317 T CA -0.291 61.919 62.100 0.183 0.000 1.005 317 T CB 0.479 69.434 68.868 0.145 0.000 1.012 317 T HN 0.587 nan 8.240 nan 0.000 0.530 318 D N -0.350 120.161 120.400 0.184 0.000 2.183 318 D HA -0.036 4.583 4.640 -0.034 0.000 0.203 318 D C 1.916 178.258 176.300 0.069 0.000 0.969 318 D CA 0.536 54.602 54.000 0.111 0.000 0.842 318 D CB -0.354 40.479 40.800 0.054 0.000 0.957 318 D HN 0.425 nan 8.370 nan 0.000 0.484 319 L N 0.299 121.563 121.223 0.069 0.000 2.043 319 L HA -0.139 4.181 4.340 -0.034 0.000 0.212 319 L C 1.555 178.443 176.870 0.031 0.000 1.075 319 L CA 1.183 56.046 54.840 0.038 0.000 0.752 319 L CB -0.793 41.293 42.059 0.044 0.000 0.891 319 L HN 0.183 nan 8.230 nan 0.000 0.432 320 L N -3.083 118.181 121.223 0.068 0.000 2.990 320 L HA 0.487 4.807 4.340 -0.034 0.000 0.231 320 L C 1.196 178.139 176.870 0.121 0.000 1.341 320 L CA -0.012 54.866 54.840 0.063 0.000 1.208 320 L CB -0.655 41.432 42.059 0.047 0.000 1.571 320 L HN 0.012 nan 8.230 nan 0.000 0.453 321 A N -0.242 122.628 122.820 0.083 0.000 2.252 321 A HA 0.231 4.531 4.320 -0.034 0.000 0.213 321 A C 2.225 179.823 177.584 0.024 0.000 1.188 321 A CA -0.038 52.051 52.037 0.087 0.000 0.863 321 A CB 0.099 19.056 19.000 -0.070 0.000 0.893 321 A HN 0.444 nan 8.150 nan 0.000 0.495 322 R N 0.005 120.465 120.500 -0.067 0.000 2.052 322 R HA 0.101 4.421 4.340 -0.034 0.000 0.224 322 R C 1.869 178.153 176.300 -0.026 0.000 1.149 322 R CA 1.367 57.388 56.100 -0.132 0.000 0.962 322 R CB -0.828 29.345 30.300 -0.212 0.000 0.856 322 R HN 0.328 nan 8.270 nan 0.000 0.433 323 G N 0.292 109.086 108.800 -0.010 0.000 3.474 323 G HA2 0.199 4.139 3.960 -0.034 0.000 0.269 323 G HA3 0.199 4.139 3.960 -0.034 0.000 0.269 323 G C -0.134 174.784 174.900 0.030 0.000 1.339 323 G CA -0.201 44.905 45.100 0.011 0.000 1.258 323 G HN 0.128 nan 8.290 nan 0.000 0.560 324 I N -0.674 119.927 120.570 0.051 0.000 2.648 324 I HA 0.400 4.550 4.170 -0.034 0.000 0.304 324 I C -1.274 174.888 176.117 0.074 0.000 1.009 324 I CA -1.131 60.209 61.300 0.067 0.000 1.114 324 I CB 2.509 40.578 38.000 0.115 0.000 1.293 324 I HN -0.093 nan 8.210 nan 0.000 0.449 325 D N 4.860 125.302 120.400 0.071 0.000 2.303 325 D HA 0.264 4.883 4.640 -0.034 0.000 0.236 325 D C -0.520 175.834 176.300 0.091 0.000 1.068 325 D CA -0.309 53.737 54.000 0.077 0.000 0.830 325 D CB 1.601 42.446 40.800 0.075 0.000 1.109 325 D HN 0.209 nan 8.370 nan 0.000 0.496 326 V N 3.232 123.199 119.914 0.087 0.000 2.125 326 V HA 0.261 4.361 4.120 -0.034 0.000 0.263 326 V C 0.785 176.927 176.094 0.079 0.000 1.365 326 V CA -0.641 61.712 62.300 0.088 0.000 1.276 326 V CB -0.740 31.128 31.823 0.075 0.000 1.350 326 V HN 0.571 nan 8.190 nan 0.000 0.487 327 Q N 1.709 121.564 119.800 0.091 0.000 2.577 327 Q HA 0.190 4.510 4.340 -0.034 0.000 0.183 327 Q C 0.636 176.676 176.000 0.065 0.000 1.167 327 Q CA -0.205 55.643 55.803 0.076 0.000 1.234 327 Q CB 0.140 28.926 28.738 0.081 0.000 1.569 327 Q HN 0.431 nan 8.270 nan 0.000 0.656 328 Q N -0.010 119.821 119.800 0.051 0.000 2.452 328 Q HA 0.121 4.441 4.340 -0.034 0.000 0.214 328 Q C -0.429 175.598 176.000 0.045 0.000 0.966 328 Q CA 0.004 55.831 55.803 0.040 0.000 0.964 328 Q CB -0.290 28.463 28.738 0.026 0.000 0.992 328 Q HN 0.355 nan 8.270 nan 0.000 0.517 329 V N 2.285 122.241 119.914 0.070 0.000 2.475 329 V HA -0.117 3.983 4.120 -0.034 0.000 0.292 329 V C 1.730 177.867 176.094 0.071 0.000 1.003 329 V CA 0.845 63.198 62.300 0.089 0.000 1.120 329 V CB 0.566 32.479 31.823 0.151 0.000 0.937 329 V HN 0.414 nan 8.190 nan 0.000 0.476 330 S N 4.918 120.654 115.700 0.060 0.000 2.406 330 S HA 0.025 4.474 4.470 -0.034 0.000 0.228 330 S C 0.376 175.010 174.600 0.057 0.000 1.020 330 S CA 0.368 58.599 58.200 0.051 0.000 0.965 330 S CB -0.048 63.178 63.200 0.042 0.000 0.798 330 S HN 0.501 nan 8.310 nan 0.000 0.488 331 L N 1.591 122.852 121.223 0.063 0.000 2.362 331 L HA 0.733 5.052 4.340 -0.034 0.000 0.275 331 L C -1.366 175.542 176.870 0.064 0.000 0.998 331 L CA -0.758 54.117 54.840 0.058 0.000 0.820 331 L CB 2.193 44.270 42.059 0.030 0.000 1.270 331 L HN 0.043 nan 8.230 nan 0.000 0.415 332 V N 6.439 126.393 119.914 0.067 0.000 2.531 332 V HA 0.529 4.629 4.120 -0.034 0.000 0.301 332 V C -0.326 175.816 176.094 0.079 0.000 1.034 332 V CA -0.384 61.964 62.300 0.080 0.000 0.865 332 V CB 1.827 33.719 31.823 0.115 0.000 0.995 332 V HN 0.610 nan 8.190 nan 0.000 0.424 333 I N 4.212 124.813 120.570 0.053 0.000 2.410 333 I HA 0.415 4.564 4.170 -0.034 0.000 0.286 333 I C -0.288 175.847 176.117 0.030 0.000 1.009 333 I CA -0.570 60.726 61.300 -0.008 0.000 1.111 333 I CB 1.787 39.707 38.000 -0.133 0.000 1.262 333 I HN 0.476 nan 8.210 nan 0.000 0.443 334 N N 5.661 124.400 118.700 0.066 0.000 2.968 334 N HA 0.034 4.753 4.740 -0.034 0.000 0.271 334 N C 0.735 176.262 175.510 0.028 0.000 1.174 334 N CA -0.036 53.093 53.050 0.130 0.000 1.096 334 N CB -0.037 38.556 38.487 0.176 0.000 1.403 334 N HN 0.525 nan 8.380 nan 0.000 0.522 335 Y N 0.803 120.998 120.300 -0.176 0.000 2.139 335 Y HA -0.238 4.292 4.550 -0.034 0.000 0.282 335 Y C 0.259 176.186 175.900 0.045 0.000 1.179 335 Y CA 1.585 59.555 58.100 -0.217 0.000 1.161 335 Y CB 0.358 38.736 38.460 -0.137 0.000 0.970 335 Y HN 0.290 nan 8.280 nan 0.000 0.511 336 D N -0.682 119.847 120.400 0.215 0.000 2.299 336 D HA 0.277 4.897 4.640 -0.034 0.000 0.243 336 D C -1.470 174.911 176.300 0.135 0.000 0.982 336 D CA -0.515 53.582 54.000 0.160 0.000 0.924 336 D CB 1.788 42.696 40.800 0.179 0.000 1.238 336 D HN -0.088 nan 8.370 nan 0.000 0.484 337 L N 3.067 124.352 121.223 0.103 0.000 2.257 337 L HA 0.332 4.651 4.340 -0.034 0.000 0.290 337 L C -2.189 174.718 176.870 0.062 0.000 1.044 337 L CA -1.871 53.019 54.840 0.084 0.000 0.810 337 L CB 0.982 43.073 42.059 0.052 0.000 1.193 337 L HN 0.094 nan 8.230 nan 0.000 0.425 338 P HA -0.059 nan 4.420 nan 0.000 0.256 338 P C 0.287 177.595 177.300 0.014 0.000 1.173 338 P CA 0.217 63.342 63.100 0.042 0.000 0.768 338 P CB 0.655 32.385 31.700 0.050 0.000 0.758 339 A N 4.138 126.967 122.820 0.014 0.000 1.940 339 A HA -0.193 4.106 4.320 -0.034 0.000 0.219 339 A C 1.260 178.831 177.584 -0.023 0.000 1.176 339 A CA 1.357 53.393 52.037 -0.001 0.000 0.631 339 A CB -0.709 18.295 19.000 0.008 0.000 0.814 339 A HN 0.588 nan 8.150 nan 0.000 0.446 340 N N -0.385 118.303 118.700 -0.021 0.000 2.439 340 N HA 0.288 5.008 4.740 -0.034 0.000 0.249 340 N C 0.385 175.846 175.510 -0.082 0.000 1.003 340 N CA -0.274 52.747 53.050 -0.047 0.000 0.942 340 N CB 1.133 39.608 38.487 -0.019 0.000 1.115 340 N HN 0.094 nan 8.380 nan 0.000 0.505 341 K N 1.833 122.120 120.400 -0.188 0.000 2.160 341 K HA -0.117 4.182 4.320 -0.034 0.000 0.206 341 K C 1.164 177.584 176.600 -0.299 0.000 1.047 341 K CA 1.245 57.343 56.287 -0.315 0.000 0.930 341 K CB 0.134 32.257 32.500 -0.628 0.000 0.720 341 K HN 0.577 nan 8.250 nan 0.000 0.450 342 E N 0.775 120.810 120.200 -0.275 0.000 2.209 342 E HA -0.139 4.190 4.350 -0.034 0.000 0.196 342 E C 0.945 177.611 176.600 0.110 0.000 0.993 342 E CA 0.811 57.161 56.400 -0.083 0.000 0.819 342 E CB -0.286 29.427 29.700 0.021 0.000 0.745 342 E HN 0.369 nan 8.360 nan 0.000 0.477 343 N N 0.159 118.927 118.700 0.113 0.000 2.461 343 N HA -0.081 4.638 4.740 -0.034 0.000 0.188 343 N C 1.257 176.798 175.510 0.052 0.000 1.134 343 N CA 0.148 53.297 53.050 0.165 0.000 0.878 343 N CB -0.138 38.398 38.487 0.081 0.000 0.972 343 N HN 0.258 nan 8.380 nan 0.000 0.456 344 Y N 1.702 121.969 120.300 -0.055 0.000 2.263 344 Y HA -0.017 4.513 4.550 -0.034 0.000 0.292 344 Y C 1.971 177.694 175.900 -0.295 0.000 1.130 344 Y CA 1.130 59.125 58.100 -0.174 0.000 1.179 344 Y CB -0.084 38.283 38.460 -0.155 0.000 0.998 344 Y HN -0.013 nan 8.280 nan 0.000 0.532 345 I N -1.371 119.038 120.570 -0.269 0.000 2.252 345 I HA -0.278 3.872 4.170 -0.034 0.000 0.245 345 I C 1.643 177.548 176.117 -0.353 0.000 1.102 345 I CA 1.735 62.810 61.300 -0.375 0.000 1.385 345 I CB -0.944 36.915 38.000 -0.236 0.000 1.064 345 I HN 0.158 nan 8.210 nan 0.000 0.414 346 H N 0.562 119.558 119.070 -0.123 0.000 2.546 346 H HA 0.083 4.619 4.556 -0.034 0.000 0.277 346 H C 2.211 177.401 175.328 -0.230 0.000 1.004 346 H CA 0.470 56.444 56.048 -0.123 0.000 1.231 346 H CB -0.013 29.701 29.762 -0.080 0.000 1.382 346 H HN 0.279 nan 8.280 nan 0.000 0.580 347 R N 0.448 120.753 120.500 -0.325 0.000 2.105 347 R HA 0.130 4.449 4.340 -0.034 0.000 0.214 347 R C 1.295 177.439 176.300 -0.261 0.000 1.091 347 R CA 1.243 57.011 56.100 -0.554 0.000 1.007 347 R CB 0.412 30.197 30.300 -0.858 0.000 0.912 347 R HN 0.407 nan 8.270 nan 0.000 0.450 348 I N -3.236 117.126 120.570 -0.347 0.000 3.994 348 I HA 0.415 4.564 4.170 -0.034 0.000 0.323 348 I C 0.345 176.338 176.117 -0.206 0.000 1.501 348 I CA -0.629 60.520 61.300 -0.253 0.000 1.112 348 I CB 0.932 38.715 38.000 -0.361 0.000 1.254 348 I HN -0.131 nan 8.210 nan 0.000 0.495 349 G N 1.538 110.231 108.800 -0.179 0.000 2.606 349 G HA2 0.681 4.621 3.960 -0.034 0.000 0.252 349 G HA3 0.681 4.621 3.960 -0.034 0.000 0.252 349 G C -0.278 174.590 174.900 -0.052 0.000 1.206 349 G CA 0.266 45.293 45.100 -0.121 0.000 0.861 349 G HN 0.668 nan 8.290 nan 0.000 0.561 358 G N -0.358 108.452 108.800 0.017 0.000 2.561 358 G HA2 0.720 4.659 3.960 -0.034 0.000 0.310 358 G HA3 0.720 4.659 3.960 -0.034 0.000 0.310 358 G C -1.701 173.220 174.900 0.034 0.000 1.292 358 G CA 0.141 45.258 45.100 0.029 0.000 0.811 358 G HN 1.140 nan 8.290 nan 0.000 0.482 359 V N 0.063 120.009 119.914 0.054 0.000 2.709 359 V HA 0.783 4.882 4.120 -0.034 0.000 0.308 359 V C -0.126 176.018 176.094 0.084 0.000 1.062 359 V CA -0.349 62.005 62.300 0.089 0.000 0.901 359 V CB 1.501 33.418 31.823 0.156 0.000 1.003 359 V HN 1.506 nan 8.190 nan 0.000 0.425 360 A N 6.020 128.887 122.820 0.078 0.000 2.319 360 A HA 0.896 5.195 4.320 -0.034 0.000 0.310 360 A C -0.922 176.771 177.584 0.182 0.000 1.152 360 A CA -0.408 51.679 52.037 0.085 0.000 0.783 360 A CB 0.699 19.700 19.000 0.001 0.000 1.184 360 A HN 0.751 nan 8.150 nan 0.000 0.474 361 I N 2.620 123.315 120.570 0.207 0.000 2.389 361 I HA 0.266 4.415 4.170 -0.034 0.000 0.288 361 I C -0.786 175.511 176.117 0.300 0.000 0.999 361 I CA -0.708 60.767 61.300 0.291 0.000 1.129 361 I CB 2.008 40.178 38.000 0.284 0.000 1.288 361 I HN 0.629 nan 8.210 nan 0.000 0.444 362 N N 5.581 124.507 118.700 0.377 0.000 2.443 362 N HA 0.471 5.190 4.740 -0.034 0.000 0.295 362 N C -1.133 174.718 175.510 0.567 0.000 1.076 362 N CA -0.395 52.886 53.050 0.384 0.000 0.919 362 N CB 1.033 39.711 38.487 0.318 0.000 1.176 362 N HN 0.269 nan 8.380 nan 0.000 0.487 363 F N 1.300 121.312 119.950 0.103 0.000 2.350 363 F HA 0.345 4.852 4.527 -0.034 0.000 0.365 363 F C 0.166 175.986 175.800 0.033 0.000 1.122 363 F CA -1.180 56.842 58.000 0.038 0.000 1.139 363 F CB 0.584 39.530 39.000 -0.090 0.000 1.220 363 F HN 0.070 nan 8.300 nan 0.000 0.499 364 V N 4.966 124.991 119.914 0.185 0.000 2.459 364 V HA 0.680 4.779 4.120 -0.034 0.000 0.295 364 V C 0.015 176.146 176.094 0.062 0.000 1.029 364 V CA -0.253 62.109 62.300 0.104 0.000 0.874 364 V CB 1.649 33.513 31.823 0.068 0.000 0.985 364 V HN 0.837 nan 8.190 nan 0.000 0.438 365 T N 3.044 117.626 114.554 0.046 0.000 2.880 365 T HA 0.341 4.670 4.350 -0.034 0.000 0.279 365 T C 0.986 175.704 174.700 0.030 0.000 0.990 365 T CA -0.332 61.793 62.100 0.041 0.000 0.938 365 T CB 0.641 69.536 68.868 0.045 0.000 1.206 365 T HN 0.589 nan 8.240 nan 0.000 0.573 366 N N 0.972 119.692 118.700 0.033 0.000 2.223 366 N HA -0.101 4.619 4.740 -0.034 0.000 0.185 366 N C 1.736 177.254 175.510 0.013 0.000 1.016 366 N CA 1.599 54.662 53.050 0.023 0.000 0.863 366 N CB -0.317 38.186 38.487 0.028 0.000 0.983 366 N HN 0.901 nan 8.380 nan 0.000 0.429 367 E N -0.594 119.615 120.200 0.015 0.000 2.447 367 E HA 0.016 4.346 4.350 -0.034 0.000 0.195 367 E C 0.108 176.708 176.600 0.001 0.000 1.028 367 E CA 0.416 56.821 56.400 0.008 0.000 0.876 367 E CB 0.060 29.767 29.700 0.012 0.000 0.885 367 E HN 0.059 nan 8.360 nan 0.000 0.500 368 D N 1.007 121.409 120.400 0.004 0.000 2.340 368 D HA 0.014 4.633 4.640 -0.034 0.000 0.220 368 D C 1.743 178.023 176.300 -0.033 0.000 1.039 368 D CA 0.088 54.085 54.000 -0.005 0.000 0.866 368 D CB 0.577 41.385 40.800 0.015 0.000 0.913 368 D HN 0.049 nan 8.370 nan 0.000 0.523 369 V N 0.815 120.708 119.914 -0.036 0.000 2.237 369 V HA -0.185 3.915 4.120 -0.034 0.000 0.245 369 V C 2.589 178.641 176.094 -0.070 0.000 1.046 369 V CA 2.181 64.442 62.300 -0.064 0.000 1.007 369 V CB -0.964 30.833 31.823 -0.043 0.000 0.638 369 V HN 0.285 nan 8.190 nan 0.000 0.445 370 G N -0.837 107.935 108.800 -0.046 0.000 2.479 370 G HA2 -0.162 3.777 3.960 -0.034 0.000 0.220 370 G HA3 -0.162 3.777 3.960 -0.034 0.000 0.220 370 G C 1.670 176.540 174.900 -0.050 0.000 1.115 370 G CA 1.073 46.147 45.100 -0.043 0.000 0.757 370 G HN 0.628 nan 8.290 nan 0.000 0.560 371 A N 0.426 123.215 122.820 -0.052 0.000 1.897 371 A HA 0.161 4.460 4.320 -0.034 0.000 0.215 371 A C 2.271 179.801 177.584 -0.089 0.000 1.181 371 A CA 1.551 53.553 52.037 -0.059 0.000 0.620 371 A CB -0.325 18.650 19.000 -0.041 0.000 0.821 371 A HN 0.374 nan 8.150 nan 0.000 0.443 372 M N -0.990 118.545 119.600 -0.109 0.000 2.374 372 M HA -0.107 4.352 4.480 -0.034 0.000 0.264 372 M C 1.878 178.090 176.300 -0.147 0.000 1.067 372 M CA 0.988 56.193 55.300 -0.158 0.000 1.103 372 M CB -0.090 32.384 32.600 -0.210 0.000 1.402 372 M HN 0.228 nan 8.290 nan 0.000 0.444 373 R N 0.553 120.987 120.500 -0.109 0.000 2.092 373 R HA -0.073 4.246 4.340 -0.034 0.000 0.231 373 R C 1.827 178.097 176.300 -0.049 0.000 1.119 373 R CA 1.042 57.096 56.100 -0.077 0.000 0.970 373 R CB -0.888 29.377 30.300 -0.058 0.000 0.864 373 R HN 0.488 nan 8.270 nan 0.000 0.440 374 E N 1.064 121.233 120.200 -0.052 0.000 2.051 374 E HA -0.130 4.199 4.350 -0.034 0.000 0.192 374 E C 2.234 178.830 176.600 -0.007 0.000 0.991 374 E CA 0.954 57.336 56.400 -0.030 0.000 0.799 374 E CB -0.297 29.367 29.700 -0.060 0.000 0.748 374 E HN 0.325 nan 8.360 nan 0.000 0.449 375 L N 0.677 121.860 121.223 -0.068 0.000 2.201 375 L HA -0.149 4.171 4.340 -0.034 0.000 0.212 375 L C 2.512 179.422 176.870 0.066 0.000 1.105 375 L CA 0.904 55.724 54.840 -0.033 0.000 0.775 375 L CB -0.400 41.444 42.059 -0.359 0.000 0.913 375 L HN 0.064 nan 8.230 nan 0.000 0.440 376 E N 0.793 120.987 120.200 -0.011 0.000 2.051 376 E HA -0.197 4.133 4.350 -0.034 0.000 0.192 376 E C 2.118 178.751 176.600 0.054 0.000 0.991 376 E CA 1.359 57.764 56.400 0.008 0.000 0.799 376 E CB 0.190 29.871 29.700 -0.031 0.000 0.748 376 E HN 0.248 nan 8.360 nan 0.000 0.449 377 K N -0.434 119.996 120.400 0.049 0.000 2.137 377 K HA -0.036 4.263 4.320 -0.034 0.000 0.202 377 K C 2.158 178.774 176.600 0.027 0.000 1.052 377 K CA 0.580 56.885 56.287 0.031 0.000 0.961 377 K CB -0.806 31.703 32.500 0.015 0.000 0.741 377 K HN 0.173 nan 8.250 nan 0.000 0.452 378 F N 1.338 121.220 119.950 -0.112 0.000 2.069 378 F HA -0.262 4.244 4.527 -0.034 0.000 0.298 378 F C 1.672 177.283 175.800 -0.316 0.000 1.113 378 F CA 1.732 59.577 58.000 -0.258 0.000 1.214 378 F CB -0.140 38.621 39.000 -0.397 0.000 0.978 378 F HN -0.050 nan 8.300 nan 0.000 0.474 379 Y N -0.390 120.014 120.300 0.172 0.000 2.482 379 Y HA 0.198 4.728 4.550 -0.034 0.000 0.270 379 Y C 1.452 177.364 175.900 0.019 0.000 1.152 379 Y CA 0.442 58.599 58.100 0.095 0.000 1.292 379 Y CB -0.451 38.107 38.460 0.164 0.000 1.070 379 Y HN -0.090 nan 8.280 nan 0.000 0.528 380 S N 0.455 116.225 115.700 0.116 0.000 3.614 380 S HA -0.207 4.243 4.470 -0.034 0.000 0.360 380 S C 0.331 174.979 174.600 0.080 0.000 1.023 380 S CA 1.100 59.336 58.200 0.060 0.000 1.114 380 S CB -1.513 61.695 63.200 0.013 0.000 0.907 380 S HN 0.556 nan 8.310 nan 0.000 0.470 381 T N 0.015 114.635 114.554 0.110 0.000 2.927 381 T HA 0.630 4.959 4.350 -0.034 0.000 0.286 381 T C -0.763 173.966 174.700 0.048 0.000 1.040 381 T CA -0.543 61.605 62.100 0.078 0.000 1.010 381 T CB 1.635 70.560 68.868 0.096 0.000 1.177 381 T HN 0.376 nan 8.240 nan 0.000 0.546 382 Q N 1.491 121.309 119.800 0.030 0.000 2.340 382 Q HA 0.591 4.910 4.340 -0.034 0.000 0.268 382 Q C -1.363 174.651 176.000 0.023 0.000 1.031 382 Q CA -0.606 55.213 55.803 0.026 0.000 0.804 382 Q CB 1.126 29.879 28.738 0.025 0.000 1.286 382 Q HN 0.625 nan 8.270 nan 0.000 0.448 383 I N 3.777 124.382 120.570 0.058 0.000 2.555 383 I HA 0.249 4.399 4.170 -0.034 0.000 0.275 383 I C -0.132 176.159 176.117 0.290 0.000 1.082 383 I CA -0.636 60.737 61.300 0.123 0.000 1.167 383 I CB 1.064 39.139 38.000 0.124 0.000 1.312 383 I HN 0.467 nan 8.210 nan 0.000 0.493 384 E N 4.367 124.695 120.200 0.214 0.000 2.404 384 E HA 0.081 4.411 4.350 -0.034 0.000 0.261 384 E C -0.080 176.685 176.600 0.275 0.000 1.074 384 E CA -0.013 56.556 56.400 0.281 0.000 0.917 384 E CB 1.153 30.989 29.700 0.228 0.000 0.965 384 E HN 0.491 nan 8.360 nan 0.000 0.433 385 E N 1.615 121.804 120.200 -0.017 0.000 2.360 385 E HA 0.004 4.334 4.350 -0.034 0.000 0.269 385 E C -0.328 176.116 176.600 -0.259 0.000 1.022 385 E CA -0.605 55.422 56.400 -0.621 0.000 0.887 385 E CB 0.523 29.872 29.700 -0.585 0.000 0.990 385 E HN 0.172 nan 8.360 nan 0.000 0.426 386 L N 7.276 128.303 121.223 -0.328 0.000 2.700 386 L HA 0.068 4.388 4.340 -0.034 0.000 0.272 386 L C -2.195 174.481 176.870 -0.323 0.000 1.176 386 L CA -0.481 54.149 54.840 -0.350 0.000 0.961 386 L CB -0.006 41.895 42.059 -0.264 0.000 1.249 386 L HN 0.515 nan 8.230 nan 0.000 0.487 387 P HA 0.255 nan 4.420 nan 0.000 0.279 387 P C 0.139 177.309 177.300 -0.217 0.000 1.282 387 P CA -0.323 62.634 63.100 -0.239 0.000 0.788 387 P CB 0.587 32.157 31.700 -0.217 0.000 1.139 388 S N -2.285 113.327 115.700 -0.147 0.000 2.558 388 S HA 0.001 4.451 4.470 -0.034 0.000 0.217 388 S C 0.732 175.266 174.600 -0.111 0.000 0.975 388 S CA 0.265 58.394 58.200 -0.120 0.000 0.912 388 S CB -0.572 62.577 63.200 -0.085 0.000 0.776 388 S HN 0.393 nan 8.310 nan 0.000 0.526 389 D N 1.266 121.595 120.400 -0.119 0.000 2.943 389 D HA 0.354 4.973 4.640 -0.034 0.000 0.249 389 D C 0.646 176.875 176.300 -0.118 0.000 1.231 389 D CA -0.266 53.678 54.000 -0.093 0.000 0.979 389 D CB -0.507 40.254 40.800 -0.065 0.000 1.053 389 D HN 0.458 nan 8.370 nan 0.000 0.504 390 I N -0.249 120.241 120.570 -0.135 0.000 3.339 390 I HA 0.122 4.271 4.170 -0.034 0.000 0.285 390 I C 2.368 178.440 176.117 -0.076 0.000 1.201 390 I CA 0.070 61.284 61.300 -0.143 0.000 1.434 390 I CB -0.098 37.789 38.000 -0.188 0.000 1.152 390 I HN 0.131 nan 8.210 nan 0.000 0.443 391 A N 1.829 124.613 122.820 -0.061 0.000 1.997 391 A HA -0.273 4.026 4.320 -0.034 0.000 0.221 391 A C 2.463 180.034 177.584 -0.023 0.000 1.172 391 A CA 2.936 54.951 52.037 -0.036 0.000 0.645 391 A CB -1.207 17.775 19.000 -0.030 0.000 0.813 391 A HN 0.573 nan 8.150 nan 0.000 0.454 392 T N -2.039 112.501 114.554 -0.024 0.000 2.814 392 T HA 0.220 4.549 4.350 -0.034 0.000 0.254 392 T C 1.165 175.866 174.700 0.002 0.000 1.037 392 T CA 0.567 62.662 62.100 -0.009 0.000 1.143 392 T CB -0.680 68.183 68.868 -0.009 0.000 0.866 392 T HN 0.273 nan 8.240 nan 0.000 0.431 393 L N 0.000 121.223 121.223 -0.000 0.000 2.949 393 L HA 0.000 4.319 4.340 -0.034 0.000 0.249 393 L CA 0.000 54.860 54.840 0.033 0.000 0.813 393 L CB 0.000 42.091 42.059 0.053 0.000 0.961 393 L HN 0.000 nan 8.230 nan 0.000 0.502