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 3a14_1_B DATA FIRST_RESID 3 DATA SEQUENCE ERTLVILGAT GSIGTQTLDV LKKVKGIRLI GISFHSNLEL AFKIVKEFNV DATA SEQUENCE KNVAITGDVE FEDSSINVWK GSHSIEEMLE ALKPDITMVA VSGFSGLRAV DATA SEQUENCE LASLEHSKRV CLANKESLVC GGFLVKKKLK EKGTELIPVD SEHSAIFQVM DATA SEQUENCE EPEVEKVVLT ASGGALRDWK ISKIDRARPE DVLKXXXXXM GARITVDSAT DATA SEQUENCE MVNKAFEVLE AMELFELPFE KIEVKIHREG LVHGAVVLPD GNVKMVVSPP DATA SEQUENCE DMRIPISYAL FYPRRVALEP FFLRTISLSF EDPDPEKYPA FFLLKEIKDS DATA SEQUENCE YALRTAFNAA DEVAVEAFLK GRIRFGGIHR VIEKTLEEFQ GYPQPRTLDD DATA SEQUENCE VERIHFEAIK KAERVTEWLS ST 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.607 176.600 0.011 0.000 1.382 3 E CA 0.000 56.417 56.400 0.028 0.000 0.976 3 E CB 0.000 29.719 29.700 0.032 0.000 0.812 4 R N 0.849 121.347 120.500 -0.002 0.000 2.532 4 R HA 0.438 4.791 4.340 0.022 0.000 0.295 4 R C -0.605 175.677 176.300 -0.029 0.000 0.968 4 R CA -0.316 55.767 56.100 -0.029 0.000 0.916 4 R CB 1.637 31.894 30.300 -0.071 0.000 1.124 4 R HN 0.502 nan 8.270 nan 0.000 0.463 5 T N 0.485 115.023 114.554 -0.026 0.000 2.882 5 T HA 0.547 4.910 4.350 0.022 0.000 0.287 5 T C -0.478 174.196 174.700 -0.043 0.000 0.992 5 T CA -0.754 61.333 62.100 -0.021 0.000 1.076 5 T CB 0.981 69.844 68.868 -0.009 0.000 0.961 5 T HN 0.247 nan 8.240 nan 0.000 0.490 6 L N 3.289 124.488 121.223 -0.041 0.000 2.362 6 L HA 0.735 5.088 4.340 0.022 0.000 0.275 6 L C -1.079 175.761 176.870 -0.050 0.000 0.998 6 L CA -0.822 53.982 54.840 -0.060 0.000 0.820 6 L CB 2.119 44.131 42.059 -0.078 0.000 1.270 6 L HN 0.663 nan 8.230 nan 0.000 0.415 7 V N 5.984 125.863 119.914 -0.060 0.000 2.417 7 V HA 0.478 4.611 4.120 0.022 0.000 0.291 7 V C -0.267 175.786 176.094 -0.068 0.000 1.024 7 V CA -0.570 61.694 62.300 -0.059 0.000 0.861 7 V CB 1.721 33.504 31.823 -0.068 0.000 0.985 7 V HN 0.489 nan 8.190 nan 0.000 0.436 8 I N 6.277 126.807 120.570 -0.067 0.000 2.306 8 I HA 0.342 4.525 4.170 0.022 0.000 0.288 8 I C -0.006 176.083 176.117 -0.047 0.000 1.036 8 I CA -0.291 60.969 61.300 -0.068 0.000 1.221 8 I CB 1.131 39.079 38.000 -0.088 0.000 1.385 8 I HN 0.381 nan 8.210 nan 0.000 0.472 9 L N 5.606 126.799 121.223 -0.050 0.000 2.313 9 L HA 0.440 4.793 4.340 0.022 0.000 0.282 9 L C 1.066 177.920 176.870 -0.027 0.000 1.092 9 L CA -0.219 54.596 54.840 -0.041 0.000 0.831 9 L CB 0.741 42.763 42.059 -0.061 0.000 1.159 9 L HN 0.930 nan 8.230 nan 0.000 0.442 10 G N 2.587 111.390 108.800 0.005 0.000 2.303 10 G HA2 -0.205 3.768 3.960 0.022 0.000 0.260 10 G HA3 -0.205 3.768 3.960 0.022 0.000 0.260 10 G C 0.728 175.640 174.900 0.021 0.000 1.106 10 G CA 0.060 45.173 45.100 0.022 0.000 0.900 10 G HN 0.880 nan 8.290 nan 0.000 0.495 11 A N -0.419 122.419 122.820 0.030 0.000 2.119 11 A HA 0.287 4.620 4.320 0.022 0.000 0.217 11 A C 2.392 179.965 177.584 -0.018 0.000 1.153 11 A CA 2.370 54.397 52.037 -0.017 0.000 0.692 11 A CB -0.326 18.648 19.000 -0.044 0.000 0.799 11 A HN 1.548 nan 8.150 nan 0.000 0.458 12 T N -3.194 111.374 114.554 0.022 0.000 3.107 12 T HA 0.381 4.745 4.350 0.022 0.000 0.249 12 T C 1.010 175.725 174.700 0.027 0.000 1.096 12 T CA 0.348 62.456 62.100 0.012 0.000 1.012 12 T CB 0.049 68.931 68.868 0.024 0.000 0.977 12 T HN 0.340 nan 8.240 nan 0.000 0.527 13 G N 0.617 109.434 108.800 0.027 0.000 2.525 13 G HA2 0.387 4.360 3.960 0.022 0.000 0.287 13 G HA3 0.387 4.360 3.960 0.022 0.000 0.287 13 G C 0.992 175.902 174.900 0.017 0.000 1.350 13 G CA -0.013 45.102 45.100 0.025 0.000 1.039 13 G HN 0.144 nan 8.290 nan 0.000 0.513 14 S N -1.209 114.503 115.700 0.021 0.000 2.353 14 S HA -0.151 4.333 4.470 0.022 0.000 0.222 14 S C 2.380 176.991 174.600 0.017 0.000 1.035 14 S CA 1.170 59.384 58.200 0.022 0.000 1.025 14 S CB -0.349 62.867 63.200 0.027 0.000 0.902 14 S HN 0.354 nan 8.310 nan 0.000 0.440 15 I N 1.922 122.500 120.570 0.013 0.000 2.179 15 I HA -0.079 4.104 4.170 0.022 0.000 0.242 15 I C 2.774 178.889 176.117 -0.004 0.000 1.088 15 I CA 1.492 62.798 61.300 0.009 0.000 1.357 15 I CB -2.240 35.763 38.000 0.005 0.000 1.051 15 I HN 0.467 nan 8.210 nan 0.000 0.409 16 G N 1.094 109.887 108.800 -0.013 0.000 2.553 16 G HA2 -0.367 3.606 3.960 0.022 0.000 0.218 16 G HA3 -0.367 3.606 3.960 0.022 0.000 0.218 16 G C 1.705 176.579 174.900 -0.042 0.000 1.195 16 G CA 2.305 47.385 45.100 -0.033 0.000 0.779 16 G HN 0.488 nan 8.290 nan 0.000 0.577 17 T N -1.524 113.019 114.554 -0.020 0.000 2.821 17 T HA -0.072 4.291 4.350 0.022 0.000 0.267 17 T C 2.267 176.971 174.700 0.008 0.000 1.046 17 T CA 1.635 63.728 62.100 -0.011 0.000 1.139 17 T CB -0.369 68.505 68.868 0.010 0.000 0.871 17 T HN 0.427 nan 8.240 nan 0.000 0.454 18 Q N 0.601 120.411 119.800 0.017 0.000 2.170 18 Q HA -0.080 4.274 4.340 0.022 0.000 0.203 18 Q C 2.568 178.589 176.000 0.035 0.000 0.976 18 Q CA 1.823 57.646 55.803 0.033 0.000 0.858 18 Q CB -0.502 28.258 28.738 0.036 0.000 0.907 18 Q HN 0.594 nan 8.270 nan 0.000 0.433 19 T N 1.387 115.947 114.554 0.010 0.000 2.746 19 T HA -0.102 4.262 4.350 0.022 0.000 0.267 19 T C 1.861 176.558 174.700 -0.004 0.000 1.039 19 T CA 0.859 62.961 62.100 0.003 0.000 1.142 19 T CB -0.166 68.681 68.868 -0.036 0.000 0.866 19 T HN 0.190 nan 8.240 nan 0.000 0.444 20 L N 0.770 121.958 121.223 -0.059 0.000 2.083 20 L HA -0.108 4.245 4.340 0.022 0.000 0.209 20 L C 2.524 179.485 176.870 0.151 0.000 1.083 20 L CA 1.347 56.129 54.840 -0.097 0.000 0.752 20 L CB -0.556 41.363 42.059 -0.233 0.000 0.899 20 L HN 0.225 nan 8.230 nan 0.000 0.433 21 D N -0.246 120.224 120.400 0.117 0.000 2.117 21 D HA -0.162 4.492 4.640 0.022 0.000 0.197 21 D C 2.161 178.542 176.300 0.134 0.000 0.987 21 D CA 0.941 55.020 54.000 0.131 0.000 0.829 21 D CB 0.175 41.028 40.800 0.089 0.000 0.961 21 D HN -0.008 nan 8.370 nan 0.000 0.460 22 V N 0.425 120.415 119.914 0.127 0.000 2.343 22 V HA -0.218 3.915 4.120 0.022 0.000 0.247 22 V C 2.501 178.713 176.094 0.197 0.000 1.051 22 V CA 1.239 63.629 62.300 0.150 0.000 1.036 22 V CB -0.471 31.454 31.823 0.171 0.000 0.654 22 V HN 0.338 nan 8.190 nan 0.000 0.451 23 L N -0.626 120.730 121.223 0.223 0.000 2.265 23 L HA -0.178 4.175 4.340 0.022 0.000 0.215 23 L C 2.475 179.500 176.870 0.259 0.000 1.117 23 L CA 1.447 56.454 54.840 0.278 0.000 0.782 23 L CB -0.589 41.657 42.059 0.313 0.000 0.914 23 L HN 0.325 nan 8.230 nan 0.000 0.441 24 K N 0.054 120.590 120.400 0.228 0.000 2.116 24 K HA -0.099 4.234 4.320 0.022 0.000 0.203 24 K C 2.020 178.665 176.600 0.075 0.000 1.052 24 K CA 0.822 57.182 56.287 0.122 0.000 0.952 24 K CB 0.067 32.633 32.500 0.110 0.000 0.729 24 K HN 0.163 nan 8.250 nan 0.000 0.446 25 K N 0.550 120.999 120.400 0.081 0.000 2.366 25 K HA 0.030 4.363 4.320 0.022 0.000 0.198 25 K C -0.243 176.365 176.600 0.014 0.000 1.044 25 K CA 0.416 56.727 56.287 0.041 0.000 0.973 25 K CB 0.578 33.100 32.500 0.037 0.000 0.767 25 K HN -0.095 nan 8.250 nan 0.000 0.475 26 V N 1.063 121.001 119.914 0.041 0.000 2.808 26 V HA 0.274 4.407 4.120 0.022 0.000 0.308 26 V C -0.549 175.599 176.094 0.089 0.000 1.099 26 V CA -1.274 61.011 62.300 -0.025 0.000 0.920 26 V CB 2.032 33.732 31.823 -0.205 0.000 1.014 26 V HN -0.099 nan 8.190 nan 0.000 0.425 27 K N 1.488 121.917 120.400 0.048 0.000 2.095 27 K HA 0.716 5.049 4.320 0.022 0.000 0.252 27 K C 0.930 177.668 176.600 0.230 0.000 0.977 27 K CA 0.321 56.679 56.287 0.119 0.000 0.900 27 K CB 1.593 34.128 32.500 0.058 0.000 1.060 27 K HN 1.199 nan 8.250 nan 0.000 0.449 28 G N 1.077 110.009 108.800 0.219 0.000 2.205 28 G HA2 -0.125 3.848 3.960 0.022 0.000 0.180 28 G HA3 -0.125 3.848 3.960 0.022 0.000 0.180 28 G C -0.125 174.865 174.900 0.151 0.000 1.004 28 G CA -0.534 44.698 45.100 0.220 0.000 0.670 28 G HN 0.458 nan 8.290 nan 0.000 0.496 29 I N 0.813 121.465 120.570 0.137 0.000 2.478 29 I HA 0.462 4.645 4.170 0.022 0.000 0.287 29 I C 0.008 176.163 176.117 0.063 0.000 1.042 29 I CA -0.888 60.425 61.300 0.020 0.000 1.067 29 I CB 2.084 40.004 38.000 -0.134 0.000 1.233 29 I HN 0.074 nan 8.210 nan 0.000 0.431 30 R N 5.603 126.129 120.500 0.042 0.000 2.255 30 R HA 0.484 4.837 4.340 0.022 0.000 0.326 30 R C -1.097 175.235 176.300 0.054 0.000 0.986 30 R CA -0.813 55.328 56.100 0.068 0.000 0.847 30 R CB 1.280 31.613 30.300 0.056 0.000 1.111 30 R HN 0.527 nan 8.270 nan 0.000 0.452 31 L N 7.662 128.939 121.223 0.090 0.000 2.369 31 L HA 0.152 4.506 4.340 0.022 0.000 0.279 31 L C 0.606 177.515 176.870 0.066 0.000 1.108 31 L CA 0.226 55.095 54.840 0.049 0.000 0.852 31 L CB 0.938 43.008 42.059 0.019 0.000 1.169 31 L HN 0.781 nan 8.230 nan 0.000 0.452 32 I N 2.155 122.748 120.570 0.039 0.000 4.082 32 I HA 0.535 4.719 4.170 0.022 0.000 0.337 32 I C 0.306 176.461 176.117 0.063 0.000 1.352 32 I CA 0.298 61.631 61.300 0.056 0.000 1.097 32 I CB -0.337 37.690 38.000 0.044 0.000 1.048 32 I HN 0.590 nan 8.210 nan 0.000 0.393 33 G N 2.740 111.563 108.800 0.040 0.000 2.702 33 G HA2 0.591 4.565 3.960 0.022 0.000 0.296 33 G HA3 0.591 4.565 3.960 0.022 0.000 0.296 33 G C -1.346 173.567 174.900 0.022 0.000 1.463 33 G CA -0.545 44.584 45.100 0.049 0.000 0.890 33 G HN 0.422 nan 8.290 nan 0.000 0.534 34 I N -1.102 119.502 120.570 0.057 0.000 3.042 34 I HA 0.945 5.128 4.170 0.022 0.000 0.310 34 I C -0.216 175.950 176.117 0.081 0.000 1.117 34 I CA -1.135 60.192 61.300 0.046 0.000 1.003 34 I CB 2.556 40.582 38.000 0.044 0.000 1.228 34 I HN 0.678 nan 8.210 nan 0.000 0.443 35 S N 2.749 118.492 115.700 0.072 0.000 2.568 35 S HA 0.894 5.377 4.470 0.022 0.000 0.293 35 S C -0.819 173.889 174.600 0.180 0.000 1.089 35 S CA -0.534 57.710 58.200 0.074 0.000 0.945 35 S CB 1.810 65.000 63.200 -0.016 0.000 1.077 35 S HN 0.970 nan 8.310 nan 0.000 0.485 36 F N -0.469 119.450 119.950 -0.051 0.000 2.711 36 F HA 0.685 5.229 4.527 0.027 0.000 0.313 36 F C 0.359 176.169 175.800 0.017 0.000 1.141 36 F CA -1.023 56.961 58.000 -0.027 0.000 0.941 36 F CB 0.802 39.762 39.000 -0.067 0.000 1.349 36 F HN 0.714 nan 8.300 nan 0.000 0.464 37 H N -0.053 118.981 119.070 -0.059 0.000 2.393 37 H HA 0.259 4.828 4.556 0.022 0.000 0.307 37 H C 1.264 176.523 175.328 -0.116 0.000 1.038 37 H CA 2.023 57.983 56.048 -0.146 0.000 1.351 37 H CB 0.615 30.358 29.762 -0.031 0.000 1.464 37 H HN 0.666 nan 8.280 nan 0.000 0.575 38 S N -1.805 113.972 115.700 0.128 0.000 2.648 38 S HA 0.078 4.561 4.470 0.022 0.000 0.270 38 S C 0.188 174.945 174.600 0.262 0.000 1.034 38 S CA -0.431 57.834 58.200 0.109 0.000 1.376 38 S CB -0.412 62.800 63.200 0.021 0.000 1.227 38 S HN 0.243 nan 8.310 nan 0.000 0.676 39 N N 2.627 121.518 118.700 0.319 0.000 2.895 39 N HA 0.333 5.086 4.740 0.022 0.000 0.277 39 N C 0.784 176.298 175.510 0.008 0.000 1.185 39 N CA -0.207 52.932 53.050 0.148 0.000 1.106 39 N CB -0.421 38.126 38.487 0.100 0.000 1.422 39 N HN 0.470 nan 8.380 nan 0.000 0.521 40 L N 0.637 121.909 121.223 0.083 0.000 2.046 40 L HA -0.135 4.218 4.340 0.022 0.000 0.208 40 L C 2.283 179.181 176.870 0.048 0.000 1.077 40 L CA 1.072 55.937 54.840 0.042 0.000 0.747 40 L CB -0.223 41.951 42.059 0.191 0.000 0.896 40 L HN 0.550 nan 8.230 nan 0.000 0.432 41 E N 0.504 120.745 120.200 0.068 0.000 2.033 41 E HA -0.304 4.060 4.350 0.022 0.000 0.199 41 E C 2.211 178.852 176.600 0.069 0.000 1.011 41 E CA 1.863 58.317 56.400 0.090 0.000 0.815 41 E CB -0.134 29.607 29.700 0.068 0.000 0.755 41 E HN 0.257 nan 8.360 nan 0.000 0.451 42 L N 0.827 122.053 121.223 0.006 0.000 2.093 42 L HA -0.065 4.289 4.340 0.022 0.000 0.208 42 L C 2.291 179.111 176.870 -0.084 0.000 1.085 42 L CA 2.081 56.908 54.840 -0.021 0.000 0.755 42 L CB -0.797 41.249 42.059 -0.022 0.000 0.904 42 L HN 0.202 nan 8.230 nan 0.000 0.435 43 A N -1.276 121.392 122.820 -0.252 0.000 1.933 43 A HA -0.246 4.087 4.320 0.022 0.000 0.218 43 A C 2.207 179.758 177.584 -0.054 0.000 1.175 43 A CA 1.762 53.514 52.037 -0.475 0.000 0.628 43 A CB -0.984 17.064 19.000 -1.586 0.000 0.814 43 A HN 0.475 nan 8.150 nan 0.000 0.444 44 F N 1.238 121.171 119.950 -0.027 0.000 2.234 44 F HA -0.045 4.496 4.527 0.023 0.000 0.296 44 F C 2.281 178.128 175.800 0.079 0.000 1.089 44 F CA 1.538 59.627 58.000 0.149 0.000 1.343 44 F CB -0.183 38.908 39.000 0.152 0.000 1.040 44 F HN 0.388 nan 8.300 nan 0.000 0.498 45 K N -0.368 120.048 120.400 0.025 0.000 2.217 45 K HA -0.106 4.227 4.320 0.022 0.000 0.202 45 K C 1.739 178.341 176.600 0.003 0.000 1.051 45 K CA 1.337 57.592 56.287 -0.053 0.000 0.952 45 K CB -0.393 32.108 32.500 0.001 0.000 0.736 45 K HN 0.150 nan 8.250 nan 0.000 0.453 46 I N 1.913 122.503 120.570 0.035 0.000 2.202 46 I HA -0.183 4.000 4.170 0.022 0.000 0.242 46 I C 2.414 178.610 176.117 0.133 0.000 1.091 46 I CA 0.693 62.049 61.300 0.093 0.000 1.368 46 I CB -0.966 37.024 38.000 -0.017 0.000 1.058 46 I HN -0.010 nan 8.210 nan 0.000 0.410 47 V N 1.040 121.002 119.914 0.080 0.000 2.332 47 V HA -0.292 3.842 4.120 0.022 0.000 0.248 47 V C 2.531 178.629 176.094 0.006 0.000 1.055 47 V CA 1.773 64.135 62.300 0.104 0.000 1.038 47 V CB -0.705 31.262 31.823 0.240 0.000 0.651 47 V HN 0.410 nan 8.190 nan 0.000 0.450 48 K N -0.317 119.992 120.400 -0.151 0.000 2.031 48 K HA -0.134 4.200 4.320 0.022 0.000 0.205 48 K C 2.174 178.724 176.600 -0.085 0.000 1.049 48 K CA 1.510 57.677 56.287 -0.199 0.000 0.939 48 K CB -0.181 32.102 32.500 -0.362 0.000 0.717 48 K HN 0.509 nan 8.250 nan 0.000 0.438 49 E N -0.311 119.870 120.200 -0.033 0.000 2.150 49 E HA -0.109 4.254 4.350 0.022 0.000 0.193 49 E C 1.151 177.658 176.600 -0.155 0.000 0.985 49 E CA 0.929 57.290 56.400 -0.065 0.000 0.814 49 E CB 0.083 29.775 29.700 -0.014 0.000 0.752 49 E HN 0.225 nan 8.360 nan 0.000 0.466 50 F N 0.130 120.065 119.950 -0.025 0.000 2.695 50 F HA 0.167 4.708 4.527 0.023 0.000 0.303 50 F C 0.459 176.261 175.800 0.003 0.000 1.091 50 F CA -0.397 57.600 58.000 -0.004 0.000 1.300 50 F CB 0.264 39.269 39.000 0.007 0.000 1.071 50 F HN -0.151 nan 8.300 nan 0.000 0.578 51 N N 1.141 119.899 118.700 0.098 0.000 2.705 51 N HA -0.192 4.561 4.740 0.022 0.000 0.255 51 N C -0.912 174.664 175.510 0.110 0.000 1.008 51 N CA 0.152 53.243 53.050 0.068 0.000 0.742 51 N CB -1.048 37.457 38.487 0.031 0.000 0.906 51 N HN -0.016 nan 8.380 nan 0.000 0.541 52 V N 1.444 121.443 119.914 0.141 0.000 2.530 52 V HA 0.135 4.268 4.120 0.022 0.000 0.282 52 V C 1.392 177.577 176.094 0.153 0.000 1.048 52 V CA -0.075 62.314 62.300 0.148 0.000 0.997 52 V CB 1.628 33.541 31.823 0.150 0.000 0.987 52 V HN 0.215 nan 8.190 nan 0.000 0.477 53 K N 2.871 123.358 120.400 0.146 0.000 2.358 53 K HA 0.287 4.621 4.320 0.022 0.000 0.197 53 K C -0.040 176.677 176.600 0.195 0.000 1.025 53 K CA 0.103 56.479 56.287 0.149 0.000 1.104 53 K CB 0.186 32.755 32.500 0.114 0.000 0.855 53 K HN 0.596 nan 8.250 nan 0.000 0.531 54 N N 0.579 119.420 118.700 0.234 0.000 2.397 54 N HA 0.267 5.020 4.740 0.022 0.000 0.291 54 N C -1.389 174.318 175.510 0.329 0.000 1.065 54 N CA -0.381 52.873 53.050 0.341 0.000 0.884 54 N CB 2.912 41.601 38.487 0.337 0.000 1.551 54 N HN -0.311 nan 8.380 nan 0.000 0.487 55 V N 0.825 120.992 119.914 0.423 0.000 2.668 55 V HA 0.661 4.794 4.120 0.022 0.000 0.304 55 V C -0.620 175.694 176.094 0.367 0.000 1.071 55 V CA -0.829 61.673 62.300 0.336 0.000 0.894 55 V CB 1.791 33.812 31.823 0.330 0.000 1.008 55 V HN 0.796 nan 8.190 nan 0.000 0.425 56 A N 6.079 129.018 122.820 0.197 0.000 2.304 56 A HA 0.892 5.225 4.320 0.022 0.000 0.323 56 A C -0.679 176.836 177.584 -0.116 0.000 1.195 56 A CA -0.526 51.578 52.037 0.111 0.000 0.826 56 A CB 0.655 19.656 19.000 0.001 0.000 1.184 56 A HN 0.635 nan 8.150 nan 0.000 0.496 57 I N 2.976 123.430 120.570 -0.193 0.000 2.359 57 I HA 0.313 4.496 4.170 0.022 0.000 0.294 57 I C 1.167 177.111 176.117 -0.288 0.000 0.987 57 I CA -0.154 60.853 61.300 -0.489 0.000 1.225 57 I CB 0.995 38.730 38.000 -0.440 0.000 1.366 57 I HN 0.787 nan 8.210 nan 0.000 0.466 58 T N 0.634 115.008 114.554 -0.301 0.000 2.990 58 T HA 0.232 4.595 4.350 0.022 0.000 0.250 58 T C 0.854 175.475 174.700 -0.132 0.000 1.041 58 T CA -0.028 62.007 62.100 -0.108 0.000 1.010 58 T CB 0.415 69.300 68.868 0.029 0.000 1.003 58 T HN 0.635 nan 8.240 nan 0.000 0.499 59 G N 0.554 109.080 108.800 -0.458 0.000 2.537 59 G HA2 0.442 4.415 3.960 0.022 0.000 0.297 59 G HA3 0.442 4.415 3.960 0.022 0.000 0.297 59 G C -1.081 173.630 174.900 -0.314 0.000 1.310 59 G CA -0.554 44.163 45.100 -0.639 0.000 1.027 59 G HN 0.182 nan 8.290 nan 0.000 0.505 60 D N -0.176 120.088 120.400 -0.226 0.000 2.639 60 D HA 0.367 5.020 4.640 0.022 0.000 0.233 60 D C -0.089 176.152 176.300 -0.099 0.000 1.161 60 D CA -0.085 53.843 54.000 -0.119 0.000 1.003 60 D CB -0.016 40.743 40.800 -0.067 0.000 1.034 60 D HN 0.069 nan 8.370 nan 0.000 0.514 61 V N 1.410 121.258 119.914 -0.109 0.000 3.040 61 V HA 0.440 4.574 4.120 0.022 0.000 0.312 61 V C 0.079 176.179 176.094 0.010 0.000 1.115 61 V CA -1.067 61.206 62.300 -0.046 0.000 0.998 61 V CB 2.378 34.173 31.823 -0.047 0.000 1.042 61 V HN 0.095 nan 8.190 nan 0.000 0.433 62 E N 1.767 122.007 120.200 0.067 0.000 2.216 62 E HA 0.477 4.840 4.350 0.022 0.000 0.279 62 E C -1.546 175.193 176.600 0.231 0.000 0.997 62 E CA -0.391 56.067 56.400 0.098 0.000 0.817 62 E CB 2.243 31.972 29.700 0.047 0.000 1.096 62 E HN 0.504 nan 8.360 nan 0.000 0.393 63 F N 2.406 122.358 119.950 0.004 0.000 2.646 63 F HA 0.154 4.692 4.527 0.018 0.000 0.364 63 F C -0.369 175.408 175.800 -0.039 0.000 1.137 63 F CA -1.353 56.654 58.000 0.011 0.000 1.085 63 F CB 0.872 39.940 39.000 0.113 0.000 1.331 63 F HN 0.255 nan 8.300 nan 0.000 0.472 64 E N 3.439 123.460 120.200 -0.299 0.000 2.029 64 E HA 0.411 4.774 4.350 0.022 0.000 0.276 64 E C -1.376 174.979 176.600 -0.407 0.000 1.163 64 E CA -0.193 56.036 56.400 -0.285 0.000 0.909 64 E CB 0.327 29.887 29.700 -0.234 0.000 1.046 64 E HN 0.241 nan 8.360 nan 0.000 0.406 65 D N 2.363 122.606 120.400 -0.261 0.000 2.726 65 D HA -0.002 4.651 4.640 0.022 0.000 0.203 65 D C -0.432 175.818 176.300 -0.084 0.000 1.297 65 D CA -0.460 53.424 54.000 -0.193 0.000 0.863 65 D CB 1.666 42.319 40.800 -0.245 0.000 1.669 65 D HN 0.342 nan 8.370 nan 0.000 0.561 66 S N 0.375 116.041 115.700 -0.057 0.000 2.524 66 S HA -0.005 4.479 4.470 0.022 0.000 0.216 66 S C 1.511 176.103 174.600 -0.014 0.000 0.987 66 S CA 0.366 58.544 58.200 -0.037 0.000 0.909 66 S CB 0.283 63.462 63.200 -0.036 0.000 0.781 66 S HN 0.322 nan 8.310 nan 0.000 0.521 67 S N 1.474 117.176 115.700 0.004 0.000 2.474 67 S HA 0.159 4.643 4.470 0.022 0.000 0.235 67 S C 0.726 175.351 174.600 0.043 0.000 0.997 67 S CA 0.794 59.010 58.200 0.027 0.000 0.949 67 S CB -0.465 62.763 63.200 0.047 0.000 0.766 67 S HN 0.777 nan 8.310 nan 0.000 0.517 68 I N -1.855 118.743 120.570 0.048 0.000 2.969 68 I HA 0.528 4.711 4.170 0.022 0.000 0.307 68 I C -1.561 174.578 176.117 0.037 0.000 1.149 68 I CA -1.285 60.064 61.300 0.081 0.000 1.008 68 I CB 1.853 39.954 38.000 0.167 0.000 1.232 68 I HN -0.275 nan 8.210 nan 0.000 0.435 69 N N 2.680 121.394 118.700 0.023 0.000 2.470 69 N HA 0.476 5.229 4.740 0.022 0.000 0.268 69 N C -1.101 174.357 175.510 -0.087 0.000 1.136 69 N CA -0.355 52.603 53.050 -0.153 0.000 0.961 69 N CB 1.716 40.050 38.487 -0.255 0.000 1.067 69 N HN 0.378 nan 8.380 nan 0.000 0.468 70 V N 3.021 122.814 119.914 -0.202 0.000 2.444 70 V HA 0.336 4.470 4.120 0.022 0.000 0.294 70 V C -0.568 175.439 176.094 -0.144 0.000 1.022 70 V CA -0.866 61.443 62.300 0.014 0.000 0.850 70 V CB 0.899 32.825 31.823 0.171 0.000 0.992 70 V HN 0.647 nan 8.190 nan 0.000 0.426 71 W N 4.316 125.641 121.300 0.042 0.000 2.512 71 W HA 0.678 5.342 4.660 0.007 0.000 0.335 71 W C -0.280 176.225 176.519 -0.025 0.000 1.088 71 W CA -0.739 56.611 57.345 0.007 0.000 1.236 71 W CB 2.471 31.928 29.460 -0.004 0.000 1.307 71 W HN 0.543 nan 8.180 nan 0.000 0.567 72 K N 0.962 121.474 120.400 0.187 0.000 2.522 72 K HA 0.852 5.185 4.320 0.022 0.000 0.275 72 K C -0.079 176.560 176.600 0.065 0.000 1.006 72 K CA -0.643 55.685 56.287 0.068 0.000 0.890 72 K CB 1.049 33.564 32.500 0.025 0.000 1.475 72 K HN 0.693 nan 8.250 nan 0.000 0.441 73 G N -0.131 108.675 108.800 0.011 0.000 2.757 73 G HA2 -0.200 3.774 3.960 0.022 0.000 0.638 73 G HA3 -0.200 3.774 3.960 0.022 0.000 0.638 73 G C 0.476 175.353 174.900 -0.038 0.000 1.344 73 G CA -0.068 45.033 45.100 0.001 0.000 0.855 73 G HN 1.338 nan 8.290 nan 0.000 0.537 74 S N -1.110 114.526 115.700 -0.107 0.000 2.547 74 S HA -0.019 4.464 4.470 0.022 0.000 0.235 74 S C 1.119 175.470 174.600 -0.415 0.000 0.980 74 S CA 1.772 59.812 58.200 -0.266 0.000 0.941 74 S CB -0.169 62.812 63.200 -0.365 0.000 0.763 74 S HN 0.818 nan 8.310 nan 0.000 0.532 75 H N 0.883 119.956 119.070 0.005 0.000 2.662 75 H HA 0.353 4.914 4.556 0.009 0.000 0.268 75 H C 1.745 177.060 175.328 -0.023 0.000 1.152 75 H CA 0.514 56.557 56.048 -0.009 0.000 1.072 75 H CB 0.375 30.138 29.762 0.002 0.000 1.660 75 H HN 0.632 nan 8.280 nan 0.000 0.584 76 S N 0.193 115.927 115.700 0.058 0.000 2.383 76 S HA -0.085 4.398 4.470 0.022 0.000 0.227 76 S C 2.032 176.560 174.600 -0.120 0.000 1.026 76 S CA 0.574 58.804 58.200 0.049 0.000 0.981 76 S CB -0.270 62.980 63.200 0.084 0.000 0.818 76 S HN 0.259 nan 8.310 nan 0.000 0.472 77 I N 2.843 123.349 120.570 -0.107 0.000 2.202 77 I HA -0.169 4.015 4.170 0.022 0.000 0.242 77 I C 2.864 178.863 176.117 -0.196 0.000 1.091 77 I CA 1.585 62.791 61.300 -0.156 0.000 1.368 77 I CB -0.445 37.492 38.000 -0.105 0.000 1.058 77 I HN 0.380 nan 8.210 nan 0.000 0.410 78 E N 1.298 121.431 120.200 -0.111 0.000 2.110 78 E HA -0.244 4.119 4.350 0.022 0.000 0.193 78 E C 1.732 178.208 176.600 -0.208 0.000 0.988 78 E CA 1.310 57.656 56.400 -0.091 0.000 0.804 78 E CB -0.616 29.090 29.700 0.011 0.000 0.745 78 E HN 0.609 nan 8.360 nan 0.000 0.458 79 E N 0.862 120.912 120.200 -0.249 0.000 2.028 79 E HA -0.113 4.250 4.350 0.022 0.000 0.191 79 E C 2.217 178.351 176.600 -0.776 0.000 0.988 79 E CA 1.205 57.394 56.400 -0.351 0.000 0.799 79 E CB -0.240 29.363 29.700 -0.162 0.000 0.755 79 E HN 0.199 nan 8.360 nan 0.000 0.447 80 M N 0.940 119.782 119.600 -1.262 0.000 2.080 80 M HA -0.196 4.298 4.480 0.022 0.000 0.260 80 M C 2.159 177.997 176.300 -0.769 0.000 1.068 80 M CA 1.528 55.874 55.300 -1.589 0.000 1.109 80 M CB -0.041 31.806 32.600 -1.254 0.000 1.342 80 M HN 0.100 nan 8.290 nan 0.000 0.405 81 L N -0.070 120.843 121.223 -0.517 0.000 2.042 81 L HA -0.242 4.111 4.340 0.022 0.000 0.210 81 L C 2.548 179.102 176.870 -0.527 0.000 1.076 81 L CA 1.749 56.372 54.840 -0.361 0.000 0.749 81 L CB -0.849 41.093 42.059 -0.196 0.000 0.893 81 L HN 0.490 nan 8.230 nan 0.000 0.432 82 E N 0.110 119.862 120.200 -0.747 0.000 2.153 82 E HA -0.228 4.136 4.350 0.022 0.000 0.194 82 E C 2.140 178.493 176.600 -0.412 0.000 0.988 82 E CA 1.096 56.945 56.400 -0.918 0.000 0.811 82 E CB 0.108 29.428 29.700 -0.634 0.000 0.746 82 E HN 0.490 nan 8.360 nan 0.000 0.466 83 A N 0.450 123.087 122.820 -0.304 0.000 1.872 83 A HA -0.098 4.236 4.320 0.022 0.000 0.214 83 A C 1.981 179.511 177.584 -0.091 0.000 1.187 83 A CA 0.810 52.780 52.037 -0.113 0.000 0.614 83 A CB -0.307 18.714 19.000 0.035 0.000 0.826 83 A HN 0.231 nan 8.150 nan 0.000 0.442 84 L N -0.781 120.351 121.223 -0.153 0.000 2.179 84 L HA 0.049 4.403 4.340 0.022 0.000 0.208 84 L C 0.536 177.368 176.870 -0.064 0.000 1.096 84 L CA 1.073 55.863 54.840 -0.083 0.000 0.779 84 L CB -0.642 41.355 42.059 -0.102 0.000 0.922 84 L HN 0.401 nan 8.230 nan 0.000 0.443 85 K N 0.041 120.388 120.400 -0.089 0.000 3.777 85 K HA -0.175 4.158 4.320 0.022 0.000 0.276 85 K C -2.205 174.386 176.600 -0.014 0.000 0.877 85 K CA 0.000 56.273 56.287 -0.023 0.000 0.724 85 K CB -1.688 30.815 32.500 0.005 0.000 1.589 85 K HN 0.290 nan 8.250 nan 0.000 0.444 86 P HA 0.021 nan 4.420 nan 0.000 0.272 86 P C 0.210 177.495 177.300 -0.024 0.000 1.230 86 P CA -0.192 62.891 63.100 -0.028 0.000 0.788 86 P CB 0.689 32.363 31.700 -0.043 0.000 0.949 87 D N 0.544 120.927 120.400 -0.029 0.000 2.117 87 D HA -0.030 4.623 4.640 0.022 0.000 0.197 87 D C 0.761 177.033 176.300 -0.047 0.000 0.987 87 D CA 1.649 55.629 54.000 -0.033 0.000 0.829 87 D CB 0.053 40.831 40.800 -0.037 0.000 0.961 87 D HN 0.397 nan 8.370 nan 0.000 0.460 88 I N 0.054 120.587 120.570 -0.062 0.000 2.533 88 I HA 0.165 4.349 4.170 0.022 0.000 0.290 88 I C -0.607 175.465 176.117 -0.075 0.000 1.056 88 I CA -0.385 60.868 61.300 -0.078 0.000 1.057 88 I CB 2.549 40.482 38.000 -0.111 0.000 1.240 88 I HN -0.380 nan 8.210 nan 0.000 0.423 89 T N 6.241 120.751 114.554 -0.073 0.000 2.779 89 T HA 0.412 4.775 4.350 0.022 0.000 0.280 89 T C -0.343 174.309 174.700 -0.080 0.000 0.987 89 T CA -0.408 61.648 62.100 -0.074 0.000 0.966 89 T CB 1.247 70.073 68.868 -0.069 0.000 0.933 89 T HN 0.403 nan 8.240 nan 0.000 0.442 90 M N 5.017 124.570 119.600 -0.079 0.000 2.105 90 M HA 0.353 4.846 4.480 0.022 0.000 0.350 90 M C -1.020 175.239 176.300 -0.069 0.000 1.308 90 M CA -0.447 54.809 55.300 -0.074 0.000 1.108 90 M CB 0.145 32.703 32.600 -0.070 0.000 1.622 90 M HN 0.308 nan 8.290 nan 0.000 0.468 91 V N 6.582 126.453 119.914 -0.072 0.000 2.284 91 V HA 0.513 4.646 4.120 0.022 0.000 0.260 91 V C 0.732 176.787 176.094 -0.065 0.000 1.084 91 V CA -0.020 62.235 62.300 -0.075 0.000 0.894 91 V CB -0.317 31.452 31.823 -0.090 0.000 1.119 91 V HN 0.975 nan 8.190 nan 0.000 0.484 92 A N 4.169 126.956 122.820 -0.054 0.000 2.637 92 A HA 0.493 4.826 4.320 0.022 0.000 0.293 92 A C 0.553 178.113 177.584 -0.039 0.000 1.216 92 A CA -0.161 51.852 52.037 -0.041 0.000 0.956 92 A CB 0.170 19.153 19.000 -0.030 0.000 1.174 92 A HN 0.828 nan 8.150 nan 0.000 0.525 93 V N -0.153 119.727 119.914 -0.056 0.000 2.811 93 V HA 0.559 4.693 4.120 0.022 0.000 0.302 93 V C 0.306 176.357 176.094 -0.071 0.000 1.063 93 V CA -0.004 62.258 62.300 -0.063 0.000 1.088 93 V CB 0.864 32.637 31.823 -0.083 0.000 0.982 93 V HN 0.634 nan 8.190 nan 0.000 0.485 94 S N 3.135 118.793 115.700 -0.070 0.000 2.541 94 S HA 0.881 5.364 4.470 0.022 0.000 0.283 94 S C 0.464 175.015 174.600 -0.081 0.000 1.196 94 S CA 0.141 58.304 58.200 -0.063 0.000 1.062 94 S CB 0.768 63.943 63.200 -0.041 0.000 1.009 94 S HN 2.784 nan 8.310 nan 0.000 0.502 95 G N 1.469 110.228 108.800 -0.067 0.000 2.627 95 G HA2 -0.206 3.767 3.960 0.022 0.000 0.214 95 G HA3 -0.206 3.767 3.960 0.022 0.000 0.214 95 G C -0.077 174.787 174.900 -0.060 0.000 1.331 95 G CA -0.025 45.051 45.100 -0.039 0.000 0.891 95 G HN 1.124 nan 8.290 nan 0.000 0.539 96 F N 1.727 121.553 119.950 -0.206 0.000 2.216 96 F HA 0.016 4.556 4.527 0.021 0.000 0.300 96 F C 2.940 178.595 175.800 -0.242 0.000 1.085 96 F CA 2.431 60.238 58.000 -0.321 0.000 1.326 96 F CB -0.213 38.359 39.000 -0.712 0.000 1.027 96 F HN 0.850 nan 8.300 nan 0.000 0.497 97 S N -0.382 115.207 115.700 -0.185 0.000 2.500 97 S HA -0.056 4.427 4.470 0.022 0.000 0.239 97 S C 2.322 176.762 174.600 -0.266 0.000 0.989 97 S CA 0.772 58.841 58.200 -0.219 0.000 0.951 97 S CB -1.369 61.767 63.200 -0.107 0.000 0.759 97 S HN 0.416 nan 8.310 nan 0.000 0.523 98 G N 1.616 110.257 108.800 -0.266 0.000 2.462 98 G HA2 -0.120 3.853 3.960 0.022 0.000 0.220 98 G HA3 -0.120 3.853 3.960 0.022 0.000 0.220 98 G C 1.245 175.970 174.900 -0.292 0.000 1.121 98 G CA 0.946 45.903 45.100 -0.239 0.000 0.758 98 G HN 0.510 nan 8.290 nan 0.000 0.559 99 L N 0.636 121.595 121.223 -0.441 0.000 1.994 99 L HA 0.055 4.409 4.340 0.022 0.000 0.208 99 L C 2.861 179.530 176.870 -0.335 0.000 1.071 99 L CA 1.728 56.301 54.840 -0.445 0.000 0.745 99 L CB -0.706 40.949 42.059 -0.674 0.000 0.892 99 L HN 0.144 nan 8.230 nan 0.000 0.431 100 R N -0.466 119.840 120.500 -0.324 0.000 2.083 100 R HA -0.157 4.197 4.340 0.022 0.000 0.237 100 R C 2.246 178.449 176.300 -0.161 0.000 1.137 100 R CA 1.448 57.425 56.100 -0.204 0.000 0.951 100 R CB -0.803 29.402 30.300 -0.160 0.000 0.851 100 R HN 0.554 nan 8.270 nan 0.000 0.434 101 A N 0.723 123.444 122.820 -0.165 0.000 1.883 101 A HA -0.148 4.186 4.320 0.022 0.000 0.217 101 A C 2.393 179.900 177.584 -0.128 0.000 1.186 101 A CA 1.676 53.635 52.037 -0.131 0.000 0.624 101 A CB -0.658 18.266 19.000 -0.128 0.000 0.822 101 A HN 0.138 nan 8.150 nan 0.000 0.444 102 V N 0.088 119.910 119.914 -0.154 0.000 2.343 102 V HA -0.253 3.880 4.120 0.022 0.000 0.247 102 V C 2.564 178.573 176.094 -0.141 0.000 1.051 102 V CA 1.927 64.140 62.300 -0.146 0.000 1.036 102 V CB -0.756 30.969 31.823 -0.164 0.000 0.654 102 V HN 0.563 nan 8.190 nan 0.000 0.451 103 L N 0.031 121.160 121.223 -0.156 0.000 2.046 103 L HA -0.142 4.211 4.340 0.022 0.000 0.208 103 L C 2.698 179.495 176.870 -0.121 0.000 1.077 103 L CA 1.590 56.341 54.840 -0.149 0.000 0.747 103 L CB -0.763 41.198 42.059 -0.163 0.000 0.896 103 L HN 0.365 nan 8.230 nan 0.000 0.432 104 A N -0.812 121.952 122.820 -0.092 0.000 1.969 104 A HA -0.143 4.190 4.320 0.022 0.000 0.218 104 A C 2.493 180.063 177.584 -0.023 0.000 1.169 104 A CA 1.752 53.766 52.037 -0.039 0.000 0.635 104 A CB -0.438 18.553 19.000 -0.015 0.000 0.810 104 A HN 0.358 nan 8.150 nan 0.000 0.445 105 S N 0.095 115.759 115.700 -0.060 0.000 2.368 105 S HA -0.094 4.390 4.470 0.022 0.000 0.225 105 S C 1.761 176.315 174.600 -0.075 0.000 1.030 105 S CA 1.427 59.592 58.200 -0.058 0.000 0.999 105 S CB -0.454 62.699 63.200 -0.078 0.000 0.844 105 S HN 0.525 nan 8.310 nan 0.000 0.459 106 L N 1.025 122.185 121.223 -0.105 0.000 2.191 106 L HA -0.087 4.266 4.340 0.022 0.000 0.212 106 L C 2.552 179.326 176.870 -0.159 0.000 1.103 106 L CA 1.009 55.778 54.840 -0.118 0.000 0.769 106 L CB -0.374 41.611 42.059 -0.123 0.000 0.908 106 L HN 0.228 nan 8.230 nan 0.000 0.438 107 E N -0.773 119.290 120.200 -0.228 0.000 2.274 107 E HA -0.140 4.224 4.350 0.022 0.000 0.194 107 E C 1.404 177.630 176.600 -0.624 0.000 0.996 107 E CA 1.113 57.247 56.400 -0.443 0.000 0.840 107 E CB 0.205 29.568 29.700 -0.561 0.000 0.772 107 E HN 0.455 nan 8.360 nan 0.000 0.491 108 H N -1.784 117.242 119.070 -0.074 0.000 3.230 108 H HA 0.398 4.968 4.556 0.023 0.000 0.259 108 H C -0.304 174.983 175.328 -0.068 0.000 1.195 108 H CA 0.020 56.025 56.048 -0.072 0.000 1.112 108 H CB 0.735 30.445 29.762 -0.087 0.000 1.638 108 H HN -0.087 nan 8.280 nan 0.000 0.624 109 S N -0.047 115.655 115.700 0.003 0.000 2.648 109 S HA 0.341 4.824 4.470 0.022 0.000 0.305 109 S C 1.046 175.627 174.600 -0.031 0.000 1.094 109 S CA -0.810 57.379 58.200 -0.017 0.000 0.983 109 S CB 3.060 66.239 63.200 -0.037 0.000 1.101 109 S HN 0.109 nan 8.310 nan 0.000 0.514 110 K N 0.249 120.632 120.400 -0.028 0.000 2.211 110 K HA 0.147 4.480 4.320 0.022 0.000 0.201 110 K C 0.793 177.375 176.600 -0.029 0.000 1.052 110 K CA 0.607 56.879 56.287 -0.025 0.000 0.973 110 K CB 0.268 32.758 32.500 -0.017 0.000 0.766 110 K HN 0.400 nan 8.250 nan 0.000 0.466 111 R N 0.819 121.295 120.500 -0.040 0.000 2.621 111 R HA 0.299 4.653 4.340 0.022 0.000 0.284 111 R C -1.702 174.558 176.300 -0.066 0.000 0.998 111 R CA -0.438 55.633 56.100 -0.049 0.000 0.895 111 R CB 1.858 32.130 30.300 -0.047 0.000 1.195 111 R HN -0.193 nan 8.270 nan 0.000 0.450 112 V N 4.224 124.092 119.914 -0.076 0.000 2.398 112 V HA 0.333 4.467 4.120 0.022 0.000 0.286 112 V C -0.276 175.758 176.094 -0.100 0.000 1.026 112 V CA -0.719 61.529 62.300 -0.087 0.000 0.868 112 V CB 1.461 33.230 31.823 -0.091 0.000 0.982 112 V HN 0.821 nan 8.190 nan 0.000 0.443 113 C N 6.523 125.765 119.300 -0.097 0.000 2.303 113 C HA 0.489 4.962 4.460 0.022 0.000 0.341 113 C C 0.149 175.087 174.990 -0.087 0.000 1.244 113 C CA -0.633 58.326 59.018 -0.098 0.000 1.765 113 C CB 0.020 27.708 27.740 -0.086 0.000 2.379 113 C HN 0.702 nan 8.230 nan 0.000 0.530 114 L N 4.288 125.457 121.223 -0.091 0.000 2.255 114 L HA 0.593 4.946 4.340 0.022 0.000 0.289 114 L C 0.470 177.310 176.870 -0.050 0.000 1.046 114 L CA 0.147 54.938 54.840 -0.082 0.000 0.816 114 L CB 0.674 42.672 42.059 -0.101 0.000 1.197 114 L HN 0.750 nan 8.230 nan 0.000 0.427 115 A N 5.320 128.114 122.820 -0.044 0.000 3.113 115 A HA 0.412 4.745 4.320 0.022 0.000 0.307 115 A C -0.267 177.295 177.584 -0.037 0.000 1.025 115 A CA -0.498 51.526 52.037 -0.021 0.000 1.012 115 A CB -0.487 18.505 19.000 -0.013 0.000 1.085 115 A HN 0.692 nan 8.150 nan 0.000 0.519 116 N N 0.445 119.112 118.700 -0.056 0.000 2.454 116 N HA 0.206 4.959 4.740 0.022 0.000 0.291 116 N C 0.078 175.535 175.510 -0.088 0.000 1.079 116 N CA -0.353 52.649 53.050 -0.079 0.000 0.893 116 N CB 1.328 39.748 38.487 -0.112 0.000 1.512 116 N HN 0.251 nan 8.380 nan 0.000 0.497 117 K N 2.026 122.369 120.400 -0.095 0.000 2.116 117 K HA -0.042 4.291 4.320 0.022 0.000 0.203 117 K C 0.850 177.336 176.600 -0.190 0.000 1.052 117 K CA 1.122 57.340 56.287 -0.115 0.000 0.952 117 K CB 0.307 32.730 32.500 -0.129 0.000 0.729 117 K HN 0.486 nan 8.250 nan 0.000 0.446 118 E N 0.926 120.989 120.200 -0.228 0.000 2.153 118 E HA -0.168 4.195 4.350 0.022 0.000 0.194 118 E C 2.032 178.525 176.600 -0.179 0.000 0.988 118 E CA 1.627 57.903 56.400 -0.206 0.000 0.811 118 E CB -0.239 29.363 29.700 -0.165 0.000 0.746 118 E HN 0.316 nan 8.360 nan 0.000 0.466 119 S N 0.352 115.927 115.700 -0.207 0.000 2.359 119 S HA -0.187 4.297 4.470 0.022 0.000 0.224 119 S C 1.974 176.485 174.600 -0.149 0.000 1.035 119 S CA 1.163 59.230 58.200 -0.221 0.000 1.018 119 S CB -0.494 62.580 63.200 -0.211 0.000 0.876 119 S HN 0.219 nan 8.310 nan 0.000 0.448 120 L N 0.657 121.821 121.223 -0.098 0.000 2.202 120 L HA 0.084 4.438 4.340 0.022 0.000 0.205 120 L C 2.712 179.627 176.870 0.076 0.000 1.083 120 L CA 0.426 55.247 54.840 -0.031 0.000 0.790 120 L CB -0.583 41.441 42.059 -0.059 0.000 0.942 120 L HN 0.214 nan 8.230 nan 0.000 0.452 121 V N -0.268 119.675 119.914 0.048 0.000 2.255 121 V HA -0.335 3.799 4.120 0.022 0.000 0.247 121 V C 2.525 178.746 176.094 0.212 0.000 1.051 121 V CA 2.153 64.524 62.300 0.118 0.000 1.018 121 V CB -0.498 31.351 31.823 0.044 0.000 0.641 121 V HN 0.556 nan 8.190 nan 0.000 0.445 122 C N 0.049 119.454 119.300 0.174 0.000 2.486 122 C HA 0.265 4.738 4.460 0.022 0.000 0.279 122 C C 2.078 177.243 174.990 0.291 0.000 1.302 122 C CA 0.556 59.734 59.018 0.268 0.000 1.720 122 C CB -1.062 26.847 27.740 0.282 0.000 2.030 122 C HN 0.675 nan 8.230 nan 0.000 0.490 123 G N -0.460 108.368 108.800 0.046 0.000 4.379 123 G HA2 0.415 4.389 3.960 0.022 0.000 0.290 123 G HA3 0.415 4.389 3.960 0.022 0.000 0.290 123 G C 1.175 175.828 174.900 -0.413 0.000 1.065 123 G CA 0.704 45.626 45.100 -0.296 0.000 0.833 123 G HN 0.433 nan 8.290 nan 0.000 0.512 124 G N 1.508 110.265 108.800 -0.072 0.000 2.469 124 G HA2 -0.256 3.717 3.960 0.022 0.000 0.220 124 G HA3 -0.256 3.717 3.960 0.022 0.000 0.220 124 G C 1.574 176.387 174.900 -0.144 0.000 1.136 124 G CA 1.447 46.543 45.100 -0.008 0.000 0.759 124 G HN 0.669 nan 8.290 nan 0.000 0.562 125 F N 0.317 120.012 119.950 -0.425 0.000 2.234 125 F HA 0.163 4.704 4.527 0.023 0.000 0.299 125 F C 2.212 177.870 175.800 -0.236 0.000 1.087 125 F CA 0.605 58.400 58.000 -0.341 0.000 1.340 125 F CB -0.464 38.212 39.000 -0.540 0.000 1.031 125 F HN 0.066 nan 8.300 nan 0.000 0.500 126 L N 0.411 120.959 121.223 -1.125 0.000 2.056 126 L HA -0.125 4.229 4.340 0.022 0.000 0.207 126 L C 2.601 179.236 176.870 -0.391 0.000 1.078 126 L CA 0.735 55.120 54.840 -0.758 0.000 0.749 126 L CB -0.726 40.816 42.059 -0.862 0.000 0.901 126 L HN 0.104 nan 8.230 nan 0.000 0.433 127 V N 0.059 119.766 119.914 -0.346 0.000 2.295 127 V HA -0.300 3.833 4.120 0.022 0.000 0.246 127 V C 2.543 178.543 176.094 -0.157 0.000 1.049 127 V CA 1.912 64.079 62.300 -0.222 0.000 1.024 127 V CB -0.492 31.214 31.823 -0.195 0.000 0.648 127 V HN 0.349 nan 8.190 nan 0.000 0.447 128 K N 0.443 120.766 120.400 -0.128 0.000 2.097 128 K HA -0.194 4.139 4.320 0.022 0.000 0.206 128 K C 2.194 178.757 176.600 -0.062 0.000 1.049 128 K CA 1.591 57.836 56.287 -0.071 0.000 0.933 128 K CB -0.257 32.230 32.500 -0.021 0.000 0.717 128 K HN 0.401 nan 8.250 nan 0.000 0.442 129 K N 0.311 120.666 120.400 -0.075 0.000 2.002 129 K HA -0.211 4.123 4.320 0.022 0.000 0.209 129 K C 2.007 178.563 176.600 -0.075 0.000 1.048 129 K CA 1.698 57.950 56.287 -0.059 0.000 0.930 129 K CB -0.125 32.343 32.500 -0.054 0.000 0.714 129 K HN -0.097 nan 8.250 nan 0.000 0.438 130 K N 0.828 121.164 120.400 -0.106 0.000 2.103 130 K HA -0.135 4.198 4.320 0.022 0.000 0.207 130 K C 1.941 178.486 176.600 -0.092 0.000 1.048 130 K CA 1.005 57.228 56.287 -0.107 0.000 0.930 130 K CB -0.436 31.983 32.500 -0.135 0.000 0.716 130 K HN 0.088 nan 8.250 nan 0.000 0.444 131 L N 1.727 122.897 121.223 -0.088 0.000 2.012 131 L HA -0.186 4.167 4.340 0.022 0.000 0.210 131 L C 2.008 178.847 176.870 -0.052 0.000 1.073 131 L CA 2.240 57.038 54.840 -0.070 0.000 0.748 131 L CB -0.828 41.190 42.059 -0.067 0.000 0.891 131 L HN 0.432 nan 8.230 nan 0.000 0.431 132 K N -1.569 118.804 120.400 -0.044 0.000 2.366 132 K HA -0.084 4.249 4.320 0.022 0.000 0.198 132 K C 1.666 178.246 176.600 -0.033 0.000 1.044 132 K CA 0.943 57.211 56.287 -0.031 0.000 0.973 132 K CB -0.231 32.257 32.500 -0.021 0.000 0.767 132 K HN 0.359 nan 8.250 nan 0.000 0.475 133 E N 1.028 121.202 120.200 -0.044 0.000 2.046 133 E HA -0.069 4.294 4.350 0.022 0.000 0.190 133 E C 1.628 178.199 176.600 -0.049 0.000 0.982 133 E CA 0.871 57.244 56.400 -0.046 0.000 0.800 133 E CB 0.233 29.899 29.700 -0.057 0.000 0.756 133 E HN 0.217 nan 8.360 nan 0.000 0.449 134 K N -0.908 119.456 120.400 -0.060 0.000 2.284 134 K HA 0.065 4.398 4.320 0.022 0.000 0.198 134 K C 1.404 177.976 176.600 -0.047 0.000 1.048 134 K CA 0.865 57.114 56.287 -0.064 0.000 0.987 134 K CB 0.437 32.886 32.500 -0.086 0.000 0.800 134 K HN 0.283 nan 8.250 nan 0.000 0.486 135 G N 2.072 110.849 108.800 -0.039 0.000 2.155 135 G HA2 -0.265 3.709 3.960 0.022 0.000 0.257 135 G HA3 -0.265 3.709 3.960 0.022 0.000 0.257 135 G C 0.168 175.053 174.900 -0.025 0.000 0.983 135 G CA 0.798 45.882 45.100 -0.026 0.000 0.676 135 G HN 0.271 nan 8.290 nan 0.000 0.528 136 T N 1.162 115.692 114.554 -0.039 0.000 2.940 136 T HA 0.353 4.716 4.350 0.022 0.000 0.309 136 T C 0.577 175.260 174.700 -0.029 0.000 1.056 136 T CA 0.247 62.323 62.100 -0.040 0.000 1.137 136 T CB 1.057 69.888 68.868 -0.062 0.000 0.976 136 T HN 0.439 nan 8.240 nan 0.000 0.547 137 E N 1.010 121.199 120.200 -0.019 0.000 2.360 137 E HA 0.317 4.681 4.350 0.022 0.000 0.269 137 E C -0.648 175.927 176.600 -0.042 0.000 1.022 137 E CA -0.439 55.956 56.400 -0.009 0.000 0.887 137 E CB 0.640 30.347 29.700 0.012 0.000 0.990 137 E HN 0.253 nan 8.360 nan 0.000 0.426 138 L N 5.161 126.358 121.223 -0.044 0.000 2.372 138 L HA 0.429 4.782 4.340 0.022 0.000 0.273 138 L C -1.436 175.363 176.870 -0.119 0.000 0.989 138 L CA -0.142 54.648 54.840 -0.085 0.000 0.841 138 L CB 0.930 42.935 42.059 -0.090 0.000 1.225 138 L HN 0.464 nan 8.230 nan 0.000 0.414 139 I N 7.235 127.686 120.570 -0.200 0.000 2.378 139 I HA 0.455 4.639 4.170 0.022 0.000 0.291 139 I C -2.115 173.832 176.117 -0.283 0.000 0.992 139 I CA -1.928 59.139 61.300 -0.389 0.000 1.154 139 I CB 1.942 39.640 38.000 -0.502 0.000 1.315 139 I HN 0.463 nan 8.210 nan 0.000 0.448 140 P HA 0.090 nan 4.420 nan 0.000 0.275 140 P C 0.403 177.672 177.300 -0.051 0.000 1.227 140 P CA -0.122 62.915 63.100 -0.105 0.000 0.781 140 P CB 1.928 33.624 31.700 -0.006 0.000 0.906 141 V N 1.252 121.166 119.914 0.000 0.000 3.125 141 V HA -0.032 4.101 4.120 0.022 0.000 0.249 141 V C 1.031 177.157 176.094 0.053 0.000 1.113 141 V CA 0.641 62.954 62.300 0.021 0.000 1.106 141 V CB -1.104 30.723 31.823 0.007 0.000 0.768 141 V HN 0.570 nan 8.190 nan 0.000 0.468 142 D N 0.731 121.184 120.400 0.088 0.000 2.583 142 D HA -0.100 4.553 4.640 0.022 0.000 0.232 142 D C 1.602 177.930 176.300 0.047 0.000 1.128 142 D CA 0.818 54.864 54.000 0.077 0.000 0.859 142 D CB 1.007 41.895 40.800 0.146 0.000 1.169 142 D HN 0.326 nan 8.370 nan 0.000 0.481 143 S N 2.604 118.328 115.700 0.040 0.000 2.399 143 S HA -0.228 4.255 4.470 0.022 0.000 0.231 143 S C 1.579 176.225 174.600 0.076 0.000 1.022 143 S CA 0.949 59.202 58.200 0.088 0.000 0.983 143 S CB -0.202 63.129 63.200 0.218 0.000 0.803 143 S HN 0.557 nan 8.310 nan 0.000 0.480 144 E N 1.253 121.433 120.200 -0.033 0.000 2.047 144 E HA -0.030 4.334 4.350 0.022 0.000 0.191 144 E C 1.963 178.562 176.600 -0.002 0.000 0.987 144 E CA 1.667 58.020 56.400 -0.078 0.000 0.799 144 E CB -0.539 29.035 29.700 -0.211 0.000 0.752 144 E HN 0.844 nan 8.360 nan 0.000 0.449 145 H N -1.014 118.154 119.070 0.164 0.000 2.389 145 H HA -0.015 4.555 4.556 0.022 0.000 0.299 145 H C 2.183 177.676 175.328 0.275 0.000 1.081 145 H CA 1.077 57.304 56.048 0.298 0.000 1.345 145 H CB 0.034 29.937 29.762 0.236 0.000 1.393 145 H HN 0.035 nan 8.280 nan 0.000 0.520 146 S N 0.271 116.091 115.700 0.199 0.000 2.359 146 S HA -0.230 4.253 4.470 0.022 0.000 0.224 146 S C 2.435 177.020 174.600 -0.024 0.000 1.035 146 S CA 1.014 59.230 58.200 0.025 0.000 1.018 146 S CB -0.417 62.733 63.200 -0.083 0.000 0.876 146 S HN 0.522 nan 8.310 nan 0.000 0.448 147 A N 1.965 124.775 122.820 -0.016 0.000 1.883 147 A HA -0.068 4.265 4.320 0.022 0.000 0.217 147 A C 2.094 179.657 177.584 -0.036 0.000 1.186 147 A CA 1.711 53.719 52.037 -0.048 0.000 0.624 147 A CB -0.790 18.206 19.000 -0.007 0.000 0.822 147 A HN 0.565 nan 8.150 nan 0.000 0.444 148 I N -1.530 119.031 120.570 -0.015 0.000 2.226 148 I HA -0.190 3.994 4.170 0.022 0.000 0.245 148 I C 2.338 178.319 176.117 -0.228 0.000 1.100 148 I CA 1.169 62.351 61.300 -0.196 0.000 1.374 148 I CB -1.547 36.230 38.000 -0.373 0.000 1.057 148 I HN 0.457 nan 8.210 nan 0.000 0.413 149 F N 1.965 121.856 119.950 -0.097 0.000 2.154 149 F HA -0.287 4.254 4.527 0.023 0.000 0.301 149 F C 2.609 178.414 175.800 0.009 0.000 1.087 149 F CA 1.773 59.831 58.000 0.098 0.000 1.274 149 F CB -0.153 39.000 39.000 0.256 0.000 1.009 149 F HN 0.152 nan 8.300 nan 0.000 0.485 150 Q N -0.717 119.169 119.800 0.143 0.000 2.297 150 Q HA -0.071 4.283 4.340 0.022 0.000 0.204 150 Q C 1.668 177.664 176.000 -0.007 0.000 0.962 150 Q CA 1.503 57.355 55.803 0.082 0.000 0.879 150 Q CB 0.137 28.855 28.738 -0.034 0.000 0.947 150 Q HN 0.538 nan 8.270 nan 0.000 0.462 151 V N -4.366 115.500 119.914 -0.079 0.000 3.398 151 V HA 0.253 4.387 4.120 0.022 0.000 0.298 151 V C 0.326 176.335 176.094 -0.141 0.000 1.496 151 V CA -0.603 61.641 62.300 -0.094 0.000 1.044 151 V CB 0.089 31.859 31.823 -0.089 0.000 0.880 151 V HN 0.103 nan 8.190 nan 0.000 0.443 152 M N 3.579 123.053 119.600 -0.211 0.000 2.250 152 M HA 0.360 4.853 4.480 0.022 0.000 0.337 152 M C -0.009 176.198 176.300 -0.155 0.000 1.161 152 M CA 0.394 55.546 55.300 -0.246 0.000 1.088 152 M CB -0.293 32.084 32.600 -0.372 0.000 1.639 152 M HN 0.791 nan 8.290 nan 0.000 0.447 153 E N 4.314 124.441 120.200 -0.121 0.000 2.433 153 E HA 0.492 4.855 4.350 0.022 0.000 0.278 153 E C -2.692 173.873 176.600 -0.059 0.000 0.976 153 E CA -1.857 54.495 56.400 -0.079 0.000 0.793 153 E CB 0.591 30.254 29.700 -0.063 0.000 1.311 153 E HN 0.344 nan 8.360 nan 0.000 0.460 154 P HA -0.163 nan 4.420 nan 0.000 0.216 154 P C 0.060 177.346 177.300 -0.023 0.000 1.150 154 P CA 1.262 64.349 63.100 -0.021 0.000 0.837 154 P CB 0.156 31.848 31.700 -0.014 0.000 0.786 155 E N -0.132 120.051 120.200 -0.029 0.000 2.411 155 E HA 0.126 4.490 4.350 0.022 0.000 0.204 155 E C 0.027 176.605 176.600 -0.037 0.000 1.059 155 E CA -0.334 56.050 56.400 -0.028 0.000 1.112 155 E CB 0.028 29.714 29.700 -0.023 0.000 1.168 155 E HN 0.117 nan 8.360 nan 0.000 0.445 156 V N -0.812 119.073 119.914 -0.048 0.000 2.788 156 V HA -0.046 4.088 4.120 0.022 0.000 0.307 156 V C 1.233 177.297 176.094 -0.051 0.000 1.069 156 V CA 0.077 62.341 62.300 -0.060 0.000 1.173 156 V CB 1.283 33.058 31.823 -0.081 0.000 0.925 156 V HN 0.145 nan 8.190 nan 0.000 0.492 157 E N 2.421 122.587 120.200 -0.055 0.000 2.075 157 E HA 0.118 4.482 4.350 0.022 0.000 0.190 157 E C 0.475 177.039 176.600 -0.060 0.000 0.969 157 E CA 0.923 57.292 56.400 -0.051 0.000 0.815 157 E CB 0.313 29.982 29.700 -0.052 0.000 0.776 157 E HN 0.738 nan 8.360 nan 0.000 0.457 158 K N 0.104 120.459 120.400 -0.075 0.000 2.464 158 K HA 0.372 4.706 4.320 0.022 0.000 0.253 158 K C -1.475 175.067 176.600 -0.096 0.000 0.933 158 K CA -0.907 55.329 56.287 -0.084 0.000 0.801 158 K CB 2.355 34.799 32.500 -0.092 0.000 1.271 158 K HN -0.096 nan 8.250 nan 0.000 0.430 159 V N 2.582 122.442 119.914 -0.090 0.000 2.370 159 V HA 0.304 4.438 4.120 0.022 0.000 0.279 159 V C -0.249 175.794 176.094 -0.086 0.000 1.029 159 V CA -0.859 61.382 62.300 -0.098 0.000 0.870 159 V CB 1.639 33.412 31.823 -0.084 0.000 0.984 159 V HN 0.386 nan 8.190 nan 0.000 0.451 160 V N 7.113 126.967 119.914 -0.100 0.000 2.347 160 V HA 0.451 4.584 4.120 0.022 0.000 0.280 160 V C -0.074 175.982 176.094 -0.063 0.000 1.021 160 V CA -0.458 61.785 62.300 -0.095 0.000 0.847 160 V CB 1.389 33.121 31.823 -0.151 0.000 0.990 160 V HN 0.609 nan 8.190 nan 0.000 0.444 161 L N 4.956 126.157 121.223 -0.037 0.000 2.309 161 L HA 0.645 4.998 4.340 0.022 0.000 0.282 161 L C 0.617 177.464 176.870 -0.037 0.000 1.036 161 L CA -0.323 54.499 54.840 -0.030 0.000 0.806 161 L CB 2.027 44.084 42.059 -0.004 0.000 1.220 161 L HN 0.754 nan 8.230 nan 0.000 0.429 162 T N -0.213 114.316 114.554 -0.042 0.000 2.929 162 T HA 0.839 5.203 4.350 0.022 0.000 0.284 162 T C -0.358 174.293 174.700 -0.082 0.000 1.014 162 T CA -0.783 61.306 62.100 -0.019 0.000 1.051 162 T CB 2.198 71.078 68.868 0.021 0.000 1.028 162 T HN 0.707 nan 8.240 nan 0.000 0.485 163 A N 1.038 123.804 122.820 -0.091 0.000 2.449 163 A HA 0.653 4.986 4.320 0.022 0.000 0.302 163 A C 1.051 178.554 177.584 -0.136 0.000 1.048 163 A CA -0.332 51.607 52.037 -0.164 0.000 0.708 163 A CB 1.413 20.236 19.000 -0.295 0.000 1.274 163 A HN 1.196 nan 8.150 nan 0.000 0.410 164 S N 1.205 116.823 115.700 -0.137 0.000 2.423 164 S HA 0.237 4.721 4.470 0.022 0.000 0.231 164 S C 1.598 176.134 174.600 -0.105 0.000 1.014 164 S CA 1.566 59.695 58.200 -0.119 0.000 0.965 164 S CB -0.248 62.892 63.200 -0.100 0.000 0.785 164 S HN 2.757 nan 8.310 nan 0.000 0.495 165 G N 0.729 109.441 108.800 -0.147 0.000 2.225 165 G HA2 0.147 4.120 3.960 0.022 0.000 0.254 165 G HA3 0.147 4.120 3.960 0.022 0.000 0.254 165 G C 1.201 176.119 174.900 0.029 0.000 0.988 165 G CA 0.344 45.387 45.100 -0.095 0.000 0.625 165 G HN 1.928 nan 8.290 nan 0.000 0.527 166 G N -0.856 107.928 108.800 -0.026 0.000 2.796 166 G HA2 0.278 4.251 3.960 0.022 0.000 0.226 166 G HA3 0.278 4.251 3.960 0.022 0.000 0.226 166 G C 1.194 176.059 174.900 -0.059 0.000 1.381 166 G CA 1.337 46.425 45.100 -0.021 0.000 0.867 166 G HN 1.905 nan 8.290 nan 0.000 0.552 167 A N -0.891 121.857 122.820 -0.120 0.000 2.024 167 A HA 0.182 4.516 4.320 0.022 0.000 0.220 167 A C 2.213 179.594 177.584 -0.338 0.000 1.164 167 A CA 2.090 54.012 52.037 -0.191 0.000 0.643 167 A CB -0.288 18.584 19.000 -0.213 0.000 0.806 167 A HN 1.143 nan 8.150 nan 0.000 0.451 168 L N -0.298 120.653 121.223 -0.454 0.000 2.741 168 L HA 0.109 4.462 4.340 0.022 0.000 0.237 168 L C 2.134 178.870 176.870 -0.222 0.000 1.178 168 L CA 0.117 54.529 54.840 -0.713 0.000 0.973 168 L CB -0.223 41.265 42.059 -0.951 0.000 1.255 168 L HN 0.518 nan 8.230 nan 0.000 0.498 169 R N -0.635 119.831 120.500 -0.056 0.000 2.127 169 R HA -0.148 4.205 4.340 0.022 0.000 0.238 169 R C 0.375 176.737 176.300 0.103 0.000 1.134 169 R CA 1.547 57.692 56.100 0.075 0.000 0.975 169 R CB -0.298 30.052 30.300 0.084 0.000 0.865 169 R HN 0.223 nan 8.270 nan 0.000 0.447 170 D N -0.693 119.800 120.400 0.155 0.000 2.340 170 D HA 0.049 4.702 4.640 0.022 0.000 0.217 170 D C -0.510 175.944 176.300 0.257 0.000 1.081 170 D CA 0.149 54.255 54.000 0.176 0.000 0.842 170 D CB -0.007 40.880 40.800 0.144 0.000 0.934 170 D HN 0.143 nan 8.370 nan 0.000 0.511 171 W N 1.843 123.112 121.300 -0.053 0.000 2.251 171 W HA 0.279 4.952 4.660 0.023 0.000 0.329 171 W C 0.956 177.440 176.519 -0.058 0.000 1.234 171 W CA -0.761 56.548 57.345 -0.060 0.000 1.228 171 W CB 0.493 29.902 29.460 -0.086 0.000 1.135 171 W HN -0.386 nan 8.180 nan 0.000 0.576 172 K N 2.180 122.642 120.400 0.104 0.000 2.382 172 K HA 0.018 4.352 4.320 0.022 0.000 0.275 172 K C 1.033 177.688 176.600 0.092 0.000 1.009 172 K CA -0.347 55.971 56.287 0.053 0.000 0.970 172 K CB 0.558 33.051 32.500 -0.012 0.000 0.934 172 K HN 0.278 nan 8.250 nan 0.000 0.479 173 I N 1.615 122.213 120.570 0.047 0.000 2.335 173 I HA -0.330 3.853 4.170 0.022 0.000 0.251 173 I C 2.190 178.346 176.117 0.065 0.000 1.129 173 I CA 1.499 62.822 61.300 0.037 0.000 1.402 173 I CB -0.538 37.463 38.000 0.001 0.000 1.069 173 I HN 0.689 nan 8.210 nan 0.000 0.424 174 S N 0.190 115.923 115.700 0.056 0.000 2.387 174 S HA -0.133 4.351 4.470 0.022 0.000 0.226 174 S C 1.934 176.591 174.600 0.095 0.000 1.026 174 S CA 0.680 58.917 58.200 0.061 0.000 0.972 174 S CB -0.448 62.771 63.200 0.033 0.000 0.814 174 S HN 0.418 nan 8.310 nan 0.000 0.477 175 K N 0.976 121.444 120.400 0.112 0.000 2.217 175 K HA 0.248 4.581 4.320 0.022 0.000 0.202 175 K C 1.877 178.704 176.600 0.378 0.000 1.051 175 K CA 0.886 57.280 56.287 0.179 0.000 0.952 175 K CB -0.340 32.169 32.500 0.016 0.000 0.736 175 K HN 0.374 nan 8.250 nan 0.000 0.453 176 I N 1.236 121.996 120.570 0.317 0.000 2.226 176 I HA -0.288 3.895 4.170 0.022 0.000 0.245 176 I C 2.107 178.373 176.117 0.249 0.000 1.100 176 I CA 1.429 62.857 61.300 0.214 0.000 1.374 176 I CB -0.228 37.835 38.000 0.105 0.000 1.057 176 I HN 0.193 nan 8.210 nan 0.000 0.413 177 D N 0.854 121.392 120.400 0.230 0.000 2.158 177 D HA -0.214 4.440 4.640 0.022 0.000 0.197 177 D C 2.115 178.555 176.300 0.232 0.000 0.995 177 D CA 1.399 55.536 54.000 0.230 0.000 0.846 177 D CB 0.079 40.980 40.800 0.168 0.000 0.941 177 D HN 0.144 nan 8.370 nan 0.000 0.456 178 R N -0.335 120.299 120.500 0.224 0.000 2.359 178 R HA 0.393 4.746 4.340 0.022 0.000 0.231 178 R C 0.304 176.760 176.300 0.260 0.000 0.913 178 R CA -0.091 56.138 56.100 0.215 0.000 1.075 178 R CB 0.539 30.940 30.300 0.169 0.000 1.087 178 R HN 0.078 nan 8.270 nan 0.000 0.515 179 A N 1.470 124.454 122.820 0.273 0.000 2.466 179 A HA 0.218 4.552 4.320 0.022 0.000 0.238 179 A C 0.047 177.842 177.584 0.351 0.000 1.074 179 A CA 0.216 52.379 52.037 0.210 0.000 0.774 179 A CB 0.342 19.209 19.000 -0.222 0.000 1.015 179 A HN 0.197 nan 8.150 nan 0.000 0.498 180 R N 0.997 121.666 120.500 0.283 0.000 2.873 180 R HA 0.474 4.827 4.340 0.022 0.000 0.264 180 R C -2.074 174.314 176.300 0.146 0.000 1.026 180 R CA -1.689 54.549 56.100 0.230 0.000 1.002 180 R CB 0.642 31.001 30.300 0.098 0.000 1.174 180 R HN 0.369 nan 8.270 nan 0.000 0.488 181 P HA -0.194 nan 4.420 nan 0.000 0.216 181 P C 0.076 177.350 177.300 -0.044 0.000 1.150 181 P CA 1.385 64.310 63.100 -0.292 0.000 0.843 181 P CB 0.306 31.733 31.700 -0.456 0.000 0.787 182 E N -0.723 119.460 120.200 -0.029 0.000 2.204 182 E HA -0.164 4.199 4.350 0.022 0.000 0.195 182 E C 1.644 178.262 176.600 0.028 0.000 0.990 182 E CA 1.073 57.477 56.400 0.006 0.000 0.821 182 E CB -0.787 28.923 29.700 0.018 0.000 0.750 182 E HN 0.353 nan 8.360 nan 0.000 0.477 183 D N -0.203 120.218 120.400 0.035 0.000 2.149 183 D HA -0.072 4.581 4.640 0.022 0.000 0.201 183 D C 1.856 178.075 176.300 -0.136 0.000 0.972 183 D CA 0.811 54.802 54.000 -0.014 0.000 0.835 183 D CB 0.139 40.894 40.800 -0.075 0.000 0.966 183 D HN 0.089 nan 8.370 nan 0.000 0.476 184 V N 0.874 120.739 119.914 -0.082 0.000 2.500 184 V HA -0.053 4.081 4.120 0.022 0.000 0.243 184 V C 2.324 178.410 176.094 -0.014 0.000 1.039 184 V CA 0.739 62.988 62.300 -0.085 0.000 1.053 184 V CB -0.049 31.816 31.823 0.070 0.000 0.695 184 V HN 0.137 nan 8.190 nan 0.000 0.463 185 L N -0.732 120.504 121.223 0.022 0.000 2.591 185 L HA 0.199 4.553 4.340 0.022 0.000 0.228 185 L C 0.865 177.743 176.870 0.013 0.000 1.133 185 L CA 0.687 55.541 54.840 0.024 0.000 0.880 185 L CB -0.041 42.033 42.059 0.025 0.000 1.033 185 L HN 0.234 nan 8.230 nan 0.000 0.450 193 G N 0.689 109.513 108.800 0.039 0.000 2.617 193 G HA2 0.228 4.201 3.960 0.022 0.000 0.686 193 G HA3 0.228 4.201 3.960 0.022 0.000 0.686 193 G C 0.035 174.966 174.900 0.052 0.000 1.214 193 G CA -0.096 45.030 45.100 0.043 0.000 0.796 193 G HN 0.919 nan 8.290 nan 0.000 0.654 194 A N 0.917 123.770 122.820 0.054 0.000 1.858 194 A HA -0.003 4.331 4.320 0.022 0.000 0.216 194 A C 2.399 180.038 177.584 0.091 0.000 1.190 194 A CA 2.399 54.476 52.037 0.067 0.000 0.617 194 A CB -0.414 18.620 19.000 0.056 0.000 0.827 194 A HN 0.960 nan 8.150 nan 0.000 0.443 195 R N -0.571 119.981 120.500 0.086 0.000 2.073 195 R HA -0.148 4.206 4.340 0.022 0.000 0.234 195 R C 1.911 178.274 176.300 0.105 0.000 1.134 195 R CA 1.939 58.100 56.100 0.101 0.000 0.952 195 R CB -0.460 29.895 30.300 0.091 0.000 0.850 195 R HN 0.490 nan 8.270 nan 0.000 0.433 196 I N 0.268 120.892 120.570 0.091 0.000 2.286 196 I HA -0.210 3.973 4.170 0.022 0.000 0.248 196 I C 2.300 178.462 176.117 0.076 0.000 1.115 196 I CA 1.458 62.810 61.300 0.087 0.000 1.392 196 I CB -0.607 37.435 38.000 0.070 0.000 1.065 196 I HN 0.113 nan 8.210 nan 0.000 0.418 197 T N 0.162 114.760 114.554 0.074 0.000 2.746 197 T HA -0.110 4.253 4.350 0.022 0.000 0.267 197 T C 2.094 176.852 174.700 0.098 0.000 1.039 197 T CA 1.530 63.671 62.100 0.069 0.000 1.142 197 T CB -0.395 68.511 68.868 0.063 0.000 0.866 197 T HN 0.128 nan 8.240 nan 0.000 0.444 198 V N 2.073 122.072 119.914 0.143 0.000 2.295 198 V HA -0.165 3.969 4.120 0.022 0.000 0.246 198 V C 2.379 178.549 176.094 0.126 0.000 1.049 198 V CA 1.728 64.143 62.300 0.191 0.000 1.024 198 V CB -0.637 31.328 31.823 0.236 0.000 0.648 198 V HN 0.368 nan 8.190 nan 0.000 0.447 199 D N 0.224 120.671 120.400 0.079 0.000 2.182 199 D HA -0.131 4.522 4.640 0.022 0.000 0.201 199 D C 2.410 178.725 176.300 0.025 0.000 0.986 199 D CA 1.649 55.666 54.000 0.027 0.000 0.847 199 D CB -0.198 40.638 40.800 0.060 0.000 0.942 199 D HN 0.390 nan 8.370 nan 0.000 0.467 200 S N -0.129 115.596 115.700 0.041 0.000 2.428 200 S HA -0.034 4.449 4.470 0.022 0.000 0.230 200 S C 1.991 176.616 174.600 0.042 0.000 1.014 200 S CA 0.803 59.008 58.200 0.009 0.000 0.957 200 S CB 0.066 63.266 63.200 0.000 0.000 0.784 200 S HN 0.363 nan 8.310 nan 0.000 0.499 201 A N 1.511 124.397 122.820 0.110 0.000 1.930 201 A HA -0.042 4.291 4.320 0.022 0.000 0.215 201 A C 2.299 180.129 177.584 0.410 0.000 1.176 201 A CA 1.687 53.832 52.037 0.180 0.000 0.632 201 A CB -0.912 18.159 19.000 0.118 0.000 0.819 201 A HN 0.582 nan 8.150 nan 0.000 0.445 202 T N -4.504 110.246 114.554 0.327 0.000 3.081 202 T HA 0.227 4.590 4.350 0.022 0.000 0.255 202 T C 0.912 175.763 174.700 0.252 0.000 1.113 202 T CA 0.733 62.986 62.100 0.254 0.000 1.082 202 T CB -0.399 68.453 68.868 -0.027 0.000 0.939 202 T HN 0.389 nan 8.240 nan 0.000 0.506 203 M N -0.102 119.554 119.600 0.093 0.000 2.856 203 M HA -0.216 4.278 4.480 0.022 0.000 0.189 203 M C 1.008 177.324 176.300 0.027 0.000 0.612 203 M CA 0.162 55.404 55.300 -0.098 0.000 0.673 203 M CB -1.822 30.489 32.600 -0.481 0.000 2.440 203 M HN 0.226 nan 8.290 nan 0.000 0.437 204 V N 0.134 120.034 119.914 -0.022 0.000 2.490 204 V HA -0.250 3.883 4.120 0.022 0.000 0.250 204 V C 2.117 177.977 176.094 -0.390 0.000 1.061 204 V CA 2.496 64.679 62.300 -0.195 0.000 1.064 204 V CB -0.601 30.976 31.823 -0.410 0.000 0.670 204 V HN 0.665 nan 8.190 nan 0.000 0.461 205 N N 0.266 118.863 118.700 -0.171 0.000 2.120 205 N HA -0.209 4.545 4.740 0.022 0.000 0.188 205 N C 1.902 177.455 175.510 0.072 0.000 1.024 205 N CA 1.148 54.200 53.050 0.004 0.000 0.852 205 N CB 0.035 38.565 38.487 0.072 0.000 1.003 205 N HN 0.283 nan 8.380 nan 0.000 0.424 206 K N 1.081 121.494 120.400 0.022 0.000 2.097 206 K HA -0.009 4.325 4.320 0.022 0.000 0.206 206 K C 1.951 178.726 176.600 0.291 0.000 1.049 206 K CA 0.873 57.209 56.287 0.082 0.000 0.933 206 K CB -0.652 31.753 32.500 -0.159 0.000 0.717 206 K HN 0.255 nan 8.250 nan 0.000 0.442 207 A N 0.801 123.816 122.820 0.325 0.000 1.902 207 A HA -0.157 4.176 4.320 0.022 0.000 0.217 207 A C 2.033 179.757 177.584 0.233 0.000 1.181 207 A CA 1.328 53.473 52.037 0.179 0.000 0.623 207 A CB -0.679 18.362 19.000 0.068 0.000 0.818 207 A HN 0.155 nan 8.150 nan 0.000 0.443 208 F N 0.405 120.520 119.950 0.274 0.000 2.095 208 F HA -0.144 4.397 4.527 0.024 0.000 0.298 208 F C 2.422 178.347 175.800 0.209 0.000 1.104 208 F CA 1.346 59.483 58.000 0.227 0.000 1.232 208 F CB -1.130 37.989 39.000 0.199 0.000 0.987 208 F HN 0.357 nan 8.300 nan 0.000 0.475 209 E N -0.129 120.315 120.200 0.408 0.000 2.153 209 E HA -0.152 4.212 4.350 0.022 0.000 0.194 209 E C 2.388 179.237 176.600 0.414 0.000 0.988 209 E CA 1.262 57.896 56.400 0.391 0.000 0.811 209 E CB -0.311 29.479 29.700 0.149 0.000 0.746 209 E HN 0.192 nan 8.360 nan 0.000 0.466 210 V N 1.467 121.558 119.914 0.295 0.000 2.270 210 V HA -0.257 3.877 4.120 0.022 0.000 0.245 210 V C 2.320 178.543 176.094 0.214 0.000 1.043 210 V CA 1.473 63.916 62.300 0.239 0.000 1.014 210 V CB -0.436 31.501 31.823 0.190 0.000 0.645 210 V HN 0.261 nan 8.190 nan 0.000 0.447 211 L N -0.315 121.020 121.223 0.187 0.000 2.042 211 L HA -0.237 4.116 4.340 0.022 0.000 0.210 211 L C 2.584 179.516 176.870 0.104 0.000 1.076 211 L CA 1.856 56.773 54.840 0.128 0.000 0.749 211 L CB -0.718 41.413 42.059 0.121 0.000 0.893 211 L HN 0.402 nan 8.230 nan 0.000 0.432 212 E N 0.055 120.325 120.200 0.116 0.000 2.110 212 E HA -0.217 4.146 4.350 0.022 0.000 0.193 212 E C 2.315 178.784 176.600 -0.218 0.000 0.988 212 E CA 1.116 57.478 56.400 -0.063 0.000 0.804 212 E CB -0.166 29.492 29.700 -0.070 0.000 0.745 212 E HN 0.517 nan 8.360 nan 0.000 0.458 213 A N 1.052 123.866 122.820 -0.011 0.000 1.902 213 A HA -0.198 4.135 4.320 0.022 0.000 0.217 213 A C 2.156 179.835 177.584 0.159 0.000 1.181 213 A CA 1.371 53.505 52.037 0.161 0.000 0.623 213 A CB -0.466 18.791 19.000 0.428 0.000 0.818 213 A HN 0.133 nan 8.150 nan 0.000 0.443 214 M N -0.604 119.072 119.600 0.126 0.000 2.108 214 M HA -0.185 4.308 4.480 0.022 0.000 0.261 214 M C 2.077 178.408 176.300 0.052 0.000 1.066 214 M CA 1.591 56.955 55.300 0.107 0.000 1.107 214 M CB -0.388 32.277 32.600 0.108 0.000 1.356 214 M HN 0.377 nan 8.290 nan 0.000 0.406 215 E N 0.408 120.606 120.200 -0.003 0.000 2.028 215 E HA -0.107 4.256 4.350 0.022 0.000 0.191 215 E C 2.149 178.664 176.600 -0.142 0.000 0.988 215 E CA 1.243 57.623 56.400 -0.034 0.000 0.799 215 E CB -0.523 29.158 29.700 -0.031 0.000 0.755 215 E HN 0.519 nan 8.360 nan 0.000 0.447 216 L N -0.321 120.700 121.223 -0.337 0.000 2.046 216 L HA -0.151 4.203 4.340 0.022 0.000 0.208 216 L C 1.790 178.311 176.870 -0.583 0.000 1.077 216 L CA 1.171 55.634 54.840 -0.629 0.000 0.747 216 L CB -0.191 41.152 42.059 -1.193 0.000 0.896 216 L HN 0.062 nan 8.230 nan 0.000 0.432 217 F N -1.355 118.598 119.950 0.005 0.000 2.661 217 F HA 0.183 4.724 4.527 0.023 0.000 0.306 217 F C 0.580 176.384 175.800 0.006 0.000 1.094 217 F CA -0.814 57.190 58.000 0.008 0.000 1.254 217 F CB -0.288 38.720 39.000 0.013 0.000 1.040 217 F HN -0.055 nan 8.300 nan 0.000 0.562 218 E N 1.346 121.614 120.200 0.114 0.000 2.252 218 E HA -0.215 4.148 4.350 0.022 0.000 0.218 218 E C -0.774 175.884 176.600 0.097 0.000 1.253 218 E CA 0.124 56.576 56.400 0.086 0.000 0.705 218 E CB -1.597 28.142 29.700 0.063 0.000 1.172 218 E HN 0.380 nan 8.360 nan 0.000 0.369 219 L N 0.848 122.141 121.223 0.116 0.000 2.317 219 L HA 0.485 4.838 4.340 0.022 0.000 0.281 219 L C -1.791 175.131 176.870 0.087 0.000 1.024 219 L CA -2.276 52.622 54.840 0.097 0.000 0.810 219 L CB 0.768 42.896 42.059 0.115 0.000 1.240 219 L HN -0.100 nan 8.230 nan 0.000 0.427 220 P HA -0.041 nan 4.420 nan 0.000 0.269 220 P C 0.572 177.938 177.300 0.109 0.000 1.209 220 P CA -0.218 62.934 63.100 0.087 0.000 0.776 220 P CB 0.549 32.287 31.700 0.063 0.000 0.876 221 F N 2.756 122.699 119.950 -0.012 0.000 2.115 221 F HA -0.266 4.275 4.527 0.022 0.000 0.300 221 F C 1.665 177.455 175.800 -0.016 0.000 1.092 221 F CA 1.970 59.956 58.000 -0.025 0.000 1.245 221 F CB -0.453 38.514 39.000 -0.055 0.000 0.995 221 F HN 0.280 nan 8.300 nan 0.000 0.481 222 E N 0.130 120.315 120.200 -0.025 0.000 2.333 222 E HA -0.156 4.208 4.350 0.022 0.000 0.198 222 E C 1.741 178.256 176.600 -0.141 0.000 1.007 222 E CA 0.846 57.173 56.400 -0.122 0.000 0.845 222 E CB -0.248 29.454 29.700 0.003 0.000 0.766 222 E HN 0.228 nan 8.360 nan 0.000 0.507 223 K N 0.099 120.440 120.400 -0.099 0.000 2.444 223 K HA 0.091 4.424 4.320 0.022 0.000 0.193 223 K C 0.188 176.725 176.600 -0.106 0.000 1.024 223 K CA 0.163 56.402 56.287 -0.080 0.000 1.077 223 K CB 0.411 32.891 32.500 -0.034 0.000 0.833 223 K HN 0.143 nan 8.250 nan 0.000 0.517 224 I N 1.308 121.774 120.570 -0.173 0.000 2.353 224 I HA 0.276 4.460 4.170 0.022 0.000 0.293 224 I C 0.070 176.075 176.117 -0.186 0.000 0.992 224 I CA -0.446 60.763 61.300 -0.152 0.000 1.268 224 I CB 1.164 39.086 38.000 -0.130 0.000 1.387 224 I HN -0.080 nan 8.210 nan 0.000 0.478 225 E N 3.847 123.982 120.200 -0.109 0.000 2.238 225 E HA 0.598 4.961 4.350 0.022 0.000 0.267 225 E C -1.388 175.191 176.600 -0.035 0.000 0.887 225 E CA -0.701 55.653 56.400 -0.078 0.000 0.769 225 E CB 3.073 32.730 29.700 -0.072 0.000 1.187 225 E HN 0.300 nan 8.360 nan 0.000 0.416 226 V N 3.842 123.757 119.914 0.002 0.000 2.459 226 V HA 0.375 4.509 4.120 0.022 0.000 0.295 226 V C -0.411 175.660 176.094 -0.040 0.000 1.029 226 V CA -0.780 61.502 62.300 -0.030 0.000 0.874 226 V CB 1.549 33.329 31.823 -0.071 0.000 0.985 226 V HN 0.490 nan 8.190 nan 0.000 0.438 227 K N 4.645 125.034 120.400 -0.017 0.000 2.270 227 K HA 0.591 4.924 4.320 0.022 0.000 0.255 227 K C -0.687 175.930 176.600 0.027 0.000 0.936 227 K CA -0.643 55.679 56.287 0.059 0.000 0.809 227 K CB 2.827 35.454 32.500 0.212 0.000 1.131 227 K HN 0.515 nan 8.250 nan 0.000 0.427 228 I N 2.561 123.131 120.570 0.000 0.000 2.533 228 I HA -0.056 4.127 4.170 0.022 0.000 0.284 228 I C 0.159 176.296 176.117 0.033 0.000 1.109 228 I CA 0.148 61.428 61.300 -0.032 0.000 1.412 228 I CB 0.115 38.086 38.000 -0.048 0.000 1.396 228 I HN 0.488 nan 8.210 nan 0.000 0.543 229 H N 6.059 125.048 119.070 -0.135 0.000 2.854 229 H HA 0.298 4.867 4.556 0.022 0.000 0.275 229 H C 0.670 175.880 175.328 -0.197 0.000 1.198 229 H CA -0.650 55.256 56.048 -0.236 0.000 1.489 229 H CB 0.558 30.179 29.762 -0.235 0.000 1.519 229 H HN 0.528 nan 8.280 nan 0.000 0.503 230 R N 2.108 122.368 120.500 -0.399 0.000 2.105 230 R HA -0.153 4.201 4.340 0.022 0.000 0.239 230 R C 0.739 176.801 176.300 -0.397 0.000 1.135 230 R CA 2.195 58.110 56.100 -0.309 0.000 0.967 230 R CB 0.343 30.525 30.300 -0.197 0.000 0.861 230 R HN 0.560 nan 8.270 nan 0.000 0.442 231 E N -0.974 118.839 120.200 -0.645 0.000 2.274 231 E HA 0.062 4.425 4.350 0.022 0.000 0.194 231 E C 1.080 177.459 176.600 -0.369 0.000 0.996 231 E CA 0.883 57.009 56.400 -0.456 0.000 0.840 231 E CB 0.075 29.558 29.700 -0.362 0.000 0.772 231 E HN 0.572 nan 8.360 nan 0.000 0.491 232 G N 0.343 108.827 108.800 -0.526 0.000 2.203 232 G HA2 -0.326 3.647 3.960 0.022 0.000 0.263 232 G HA3 -0.326 3.647 3.960 0.022 0.000 0.263 232 G C 0.713 175.640 174.900 0.044 0.000 1.012 232 G CA 0.814 45.821 45.100 -0.155 0.000 0.749 232 G HN 0.298 nan 8.290 nan 0.000 0.512 233 L N -0.912 120.433 121.223 0.204 0.000 2.145 233 L HA 0.179 4.533 4.340 0.022 0.000 0.201 233 L C 1.622 178.638 176.870 0.244 0.000 1.075 233 L CA 0.426 55.395 54.840 0.215 0.000 0.773 233 L CB -0.230 41.934 42.059 0.175 0.000 0.936 233 L HN 0.126 nan 8.230 nan 0.000 0.451 234 V N 0.666 120.703 119.914 0.205 0.000 2.470 234 V HA -0.031 4.102 4.120 0.022 0.000 0.276 234 V C 0.969 177.106 176.094 0.071 0.000 1.040 234 V CA 0.108 62.418 62.300 0.017 0.000 1.008 234 V CB 0.545 32.261 31.823 -0.177 0.000 0.990 234 V HN 0.322 nan 8.190 nan 0.000 0.477 235 H N 3.213 122.241 119.070 -0.069 0.000 2.622 235 H HA 0.372 4.941 4.556 0.022 0.000 0.269 235 H C 0.934 176.222 175.328 -0.066 0.000 0.977 235 H CA 0.599 56.612 56.048 -0.058 0.000 1.179 235 H CB 1.404 31.122 29.762 -0.074 0.000 1.458 235 H HN 0.774 nan 8.280 nan 0.000 0.531 236 G N -0.126 108.691 108.800 0.029 0.000 2.442 236 G HA2 0.490 4.464 3.960 0.022 0.000 0.296 236 G HA3 0.490 4.464 3.960 0.022 0.000 0.296 236 G C -1.885 172.978 174.900 -0.063 0.000 1.564 236 G CA -0.038 45.045 45.100 -0.028 0.000 0.828 236 G HN 0.300 nan 8.290 nan 0.000 0.571 237 A N -0.623 122.139 122.820 -0.097 0.000 2.594 237 A HA 0.993 5.326 4.320 0.022 0.000 0.295 237 A C -0.653 176.849 177.584 -0.136 0.000 1.071 237 A CA -0.153 51.809 52.037 -0.125 0.000 0.685 237 A CB 1.803 20.700 19.000 -0.172 0.000 1.285 237 A HN 2.341 nan 8.150 nan 0.000 0.405 238 V N -0.539 119.296 119.914 -0.133 0.000 2.588 238 V HA 0.826 4.959 4.120 0.022 0.000 0.304 238 V C -0.649 175.373 176.094 -0.119 0.000 1.042 238 V CA -0.757 61.465 62.300 -0.131 0.000 0.877 238 V CB 1.160 32.901 31.823 -0.137 0.000 0.996 238 V HN 0.792 nan 8.190 nan 0.000 0.425 239 V N 6.049 125.894 119.914 -0.115 0.000 2.407 239 V HA 0.470 4.604 4.120 0.022 0.000 0.278 239 V C 0.003 176.047 176.094 -0.082 0.000 1.037 239 V CA -0.469 61.768 62.300 -0.104 0.000 0.900 239 V CB 1.189 32.946 31.823 -0.110 0.000 0.983 239 V HN 0.721 nan 8.190 nan 0.000 0.459 240 L N 7.142 128.322 121.223 -0.070 0.000 2.344 240 L HA 0.480 4.834 4.340 0.022 0.000 0.272 240 L C -1.398 175.443 176.870 -0.048 0.000 1.035 240 L CA -2.239 52.567 54.840 -0.057 0.000 0.807 240 L CB 1.227 43.256 42.059 -0.051 0.000 1.237 240 L HN 0.371 nan 8.230 nan 0.000 0.442 241 P HA -0.092 nan 4.420 nan 0.000 0.228 241 P C 0.504 177.787 177.300 -0.029 0.000 1.151 241 P CA 0.798 63.878 63.100 -0.033 0.000 0.770 241 P CB 0.224 31.907 31.700 -0.027 0.000 0.786 242 D N -2.206 118.176 120.400 -0.030 0.000 2.354 242 D HA 0.113 4.767 4.640 0.022 0.000 0.209 242 D C 1.519 177.804 176.300 -0.026 0.000 1.015 242 D CA 0.805 54.790 54.000 -0.025 0.000 0.867 242 D CB -0.529 40.258 40.800 -0.022 0.000 0.933 242 D HN 0.220 nan 8.370 nan 0.000 0.520 243 G N -0.189 108.592 108.800 -0.032 0.000 2.284 243 G HA2 -0.233 3.740 3.960 0.022 0.000 0.201 243 G HA3 -0.233 3.740 3.960 0.022 0.000 0.201 243 G C -0.074 174.803 174.900 -0.038 0.000 0.998 243 G CA -0.297 44.783 45.100 -0.033 0.000 0.651 243 G HN 0.420 nan 8.290 nan 0.000 0.489 244 N N -0.264 118.413 118.700 -0.038 0.000 2.508 244 N HA 0.512 5.266 4.740 0.022 0.000 0.264 244 N C -0.460 175.017 175.510 -0.056 0.000 1.216 244 N CA 0.333 53.359 53.050 -0.040 0.000 0.943 244 N CB 1.746 40.212 38.487 -0.035 0.000 1.113 244 N HN 0.143 nan 8.380 nan 0.000 0.447 245 V N 1.673 121.550 119.914 -0.060 0.000 2.623 245 V HA 0.303 4.437 4.120 0.022 0.000 0.304 245 V C -0.575 175.476 176.094 -0.072 0.000 1.054 245 V CA -0.837 61.415 62.300 -0.081 0.000 0.882 245 V CB 1.825 33.584 31.823 -0.107 0.000 1.002 245 V HN 0.582 nan 8.190 nan 0.000 0.424 246 K N 5.432 125.786 120.400 -0.078 0.000 2.240 246 K HA 0.729 5.062 4.320 0.022 0.000 0.271 246 K C -0.914 175.639 176.600 -0.079 0.000 1.018 246 K CA -0.366 55.881 56.287 -0.068 0.000 0.874 246 K CB 1.671 34.132 32.500 -0.065 0.000 1.098 246 K HN 0.575 nan 8.250 nan 0.000 0.458 247 M N 2.486 122.048 119.600 -0.064 0.000 2.456 247 M HA 0.368 4.862 4.480 0.022 0.000 0.324 247 M C -0.748 175.516 176.300 -0.059 0.000 1.124 247 M CA -1.219 54.043 55.300 -0.064 0.000 0.959 247 M CB 2.280 34.853 32.600 -0.045 0.000 1.692 247 M HN 0.169 nan 8.290 nan 0.000 0.444 248 V N 3.407 123.282 119.914 -0.064 0.000 2.384 248 V HA 0.485 4.618 4.120 0.022 0.000 0.287 248 V C -0.376 175.657 176.094 -0.101 0.000 1.020 248 V CA -0.706 61.542 62.300 -0.086 0.000 0.850 248 V CB 1.756 33.523 31.823 -0.093 0.000 0.987 248 V HN 0.629 nan 8.190 nan 0.000 0.436 249 V N 4.537 124.346 119.914 -0.174 0.000 2.581 249 V HA 0.892 5.026 4.120 0.022 0.000 0.303 249 V C 0.019 175.815 176.094 -0.497 0.000 1.041 249 V CA -0.050 62.077 62.300 -0.289 0.000 0.907 249 V CB 2.109 33.744 31.823 -0.313 0.000 0.994 249 V HN 1.081 nan 8.190 nan 0.000 0.442 250 S N 4.801 120.128 115.700 -0.621 0.000 2.611 250 S HA 0.682 5.165 4.470 0.022 0.000 0.268 250 S C -3.339 170.996 174.600 -0.442 0.000 1.156 250 S CA -1.263 56.556 58.200 -0.636 0.000 0.817 250 S CB 1.985 64.876 63.200 -0.514 0.000 1.122 250 S HN 0.404 nan 8.310 nan 0.000 0.466 251 P HA 0.249 nan 4.420 nan 0.000 0.269 251 P C -2.463 174.871 177.300 0.057 0.000 1.217 251 P CA -0.964 62.182 63.100 0.077 0.000 0.783 251 P CB -0.198 31.590 31.700 0.147 0.000 0.898 252 P HA 0.146 nan 4.420 nan 0.000 0.231 252 P C -1.039 176.327 177.300 0.110 0.000 1.811 252 P CA 0.405 63.609 63.100 0.174 0.000 1.051 252 P CB -0.236 31.539 31.700 0.124 0.000 1.951 253 D N 2.280 122.730 120.400 0.083 0.000 2.620 253 D HA 0.203 4.857 4.640 0.022 0.000 0.252 253 D C 1.096 177.429 176.300 0.054 0.000 1.207 253 D CA -0.532 53.505 54.000 0.062 0.000 0.884 253 D CB 1.298 42.129 40.800 0.052 0.000 1.262 253 D HN -0.203 nan 8.370 nan 0.000 0.552 254 M N 2.693 122.329 119.600 0.059 0.000 2.374 254 M HA 0.023 4.517 4.480 0.022 0.000 0.264 254 M C 1.631 177.963 176.300 0.054 0.000 1.067 254 M CA 0.905 56.239 55.300 0.056 0.000 1.103 254 M CB -0.483 32.149 32.600 0.052 0.000 1.402 254 M HN 0.477 nan 8.290 nan 0.000 0.444 255 R N -0.421 120.112 120.500 0.055 0.000 2.159 255 R HA -0.155 4.198 4.340 0.022 0.000 0.237 255 R C 1.917 178.261 176.300 0.073 0.000 1.131 255 R CA 1.027 57.166 56.100 0.065 0.000 0.982 255 R CB -0.469 29.869 30.300 0.062 0.000 0.868 255 R HN 0.241 nan 8.270 nan 0.000 0.453 256 I N 1.057 121.658 120.570 0.052 0.000 2.090 256 I HA -0.202 3.982 4.170 0.022 0.000 0.236 256 I C -0.888 175.280 176.117 0.084 0.000 1.064 256 I CA 1.584 62.912 61.300 0.047 0.000 1.324 256 I CB -1.076 36.913 38.000 -0.018 0.000 1.044 256 I HN 0.081 nan 8.210 nan 0.000 0.399 257 P HA -0.092 nan 4.420 nan 0.000 0.221 257 P C 2.099 179.474 177.300 0.124 0.000 1.150 257 P CA 1.530 64.677 63.100 0.077 0.000 0.800 257 P CB 0.021 31.738 31.700 0.029 0.000 0.787 258 I N 0.025 120.655 120.570 0.100 0.000 2.142 258 I HA -0.235 3.948 4.170 0.022 0.000 0.240 258 I C 2.455 178.659 176.117 0.145 0.000 1.078 258 I CA 1.566 62.922 61.300 0.093 0.000 1.343 258 I CB -0.724 37.320 38.000 0.073 0.000 1.046 258 I HN -0.059 nan 8.210 nan 0.000 0.405 259 S N -0.153 115.663 115.700 0.193 0.000 2.359 259 S HA -0.271 4.212 4.470 0.022 0.000 0.224 259 S C 1.948 176.748 174.600 0.333 0.000 1.035 259 S CA 1.505 59.887 58.200 0.303 0.000 1.018 259 S CB -0.590 62.738 63.200 0.214 0.000 0.876 259 S HN 0.431 nan 8.310 nan 0.000 0.448 260 Y N 2.250 122.638 120.300 0.145 0.000 2.114 260 Y HA -0.255 4.308 4.550 0.022 0.000 0.282 260 Y C 2.447 178.421 175.900 0.123 0.000 1.165 260 Y CA 1.404 59.590 58.100 0.143 0.000 1.148 260 Y CB -0.667 37.844 38.460 0.086 0.000 0.972 260 Y HN 0.230 nan 8.280 nan 0.000 0.504 261 A N -0.125 122.787 122.820 0.153 0.000 1.897 261 A HA -0.096 4.237 4.320 0.022 0.000 0.215 261 A C 2.262 179.809 177.584 -0.062 0.000 1.181 261 A CA 1.546 53.572 52.037 -0.018 0.000 0.620 261 A CB -1.025 17.957 19.000 -0.029 0.000 0.821 261 A HN 0.544 nan 8.150 nan 0.000 0.443 262 L N -2.258 118.937 121.223 -0.046 0.000 2.017 262 L HA -0.135 4.219 4.340 0.022 0.000 0.208 262 L C 2.152 178.822 176.870 -0.334 0.000 1.073 262 L CA 1.401 56.106 54.840 -0.225 0.000 0.745 262 L CB -0.397 41.472 42.059 -0.316 0.000 0.894 262 L HN 0.415 nan 8.230 nan 0.000 0.432 263 F N -2.665 117.272 119.950 -0.021 0.000 2.746 263 F HA 0.084 4.625 4.527 0.023 0.000 0.297 263 F C 0.874 176.632 175.800 -0.070 0.000 1.113 263 F CA -0.887 57.093 58.000 -0.034 0.000 1.367 263 F CB -0.333 38.652 39.000 -0.025 0.000 1.111 263 F HN -0.121 nan 8.300 nan 0.000 0.590 264 Y N 5.090 125.313 120.300 -0.129 0.000 2.987 264 Y HA -0.086 4.477 4.550 0.022 0.000 0.339 264 Y C -1.208 174.641 175.900 -0.085 0.000 1.272 264 Y CA -1.677 56.280 58.100 -0.238 0.000 1.562 264 Y CB 0.467 38.693 38.460 -0.390 0.000 1.253 264 Y HN -0.087 nan 8.280 nan 0.000 0.604 265 P HA -0.056 nan 4.420 nan 0.000 0.245 265 P C -0.316 176.750 177.300 -0.390 0.000 1.212 265 P CA 0.530 63.009 63.100 -1.034 0.000 0.774 265 P CB 0.060 31.280 31.700 -0.801 0.000 0.999 266 R N 1.222 121.617 120.500 -0.175 0.000 2.441 266 R HA 0.211 4.564 4.340 0.022 0.000 0.284 266 R C -0.112 176.178 176.300 -0.016 0.000 1.070 266 R CA -0.441 55.625 56.100 -0.057 0.000 1.047 266 R CB 0.677 30.985 30.300 0.014 0.000 1.016 266 R HN -0.113 nan 8.270 nan 0.000 0.477 267 R N 3.150 123.647 120.500 -0.005 0.000 2.312 267 R HA 0.255 4.608 4.340 0.022 0.000 0.311 267 R C -0.613 175.665 176.300 -0.038 0.000 1.004 267 R CA -0.706 55.413 56.100 0.032 0.000 0.902 267 R CB 1.796 32.132 30.300 0.060 0.000 1.073 267 R HN 0.396 nan 8.270 nan 0.000 0.457 268 V N 2.273 122.147 119.914 -0.066 0.000 2.649 268 V HA 0.213 4.347 4.120 0.022 0.000 0.292 268 V C 0.615 176.659 176.094 -0.083 0.000 1.055 268 V CA -0.635 61.564 62.300 -0.168 0.000 1.023 268 V CB 1.501 33.175 31.823 -0.249 0.000 0.992 268 V HN 0.835 nan 8.190 nan 0.000 0.480 269 A N 5.905 128.672 122.820 -0.088 0.000 2.350 269 A HA 0.632 4.965 4.320 0.022 0.000 0.293 269 A C 0.039 177.603 177.584 -0.034 0.000 1.231 269 A CA -0.118 51.893 52.037 -0.044 0.000 0.883 269 A CB -0.180 18.800 19.000 -0.034 0.000 1.133 269 A HN 0.815 nan 8.150 nan 0.000 0.533 270 L N 1.248 122.462 121.223 -0.014 0.000 2.679 270 L HA 0.478 4.831 4.340 0.022 0.000 0.217 270 L C 0.061 176.939 176.870 0.013 0.000 1.659 270 L CA -0.652 54.189 54.840 0.001 0.000 2.908 270 L CB 0.099 42.163 42.059 0.009 0.000 2.698 270 L HN 0.413 nan 8.230 nan 0.000 0.828 271 E N 1.530 121.741 120.200 0.018 0.000 2.141 271 E HA 0.363 4.726 4.350 0.022 0.000 0.259 271 E C -2.320 174.276 176.600 -0.007 0.000 0.883 271 E CA -1.714 54.703 56.400 0.027 0.000 0.744 271 E CB 1.020 30.747 29.700 0.045 0.000 1.150 271 E HN 0.178 nan 8.360 nan 0.000 0.420 272 P HA 0.118 nan 4.420 nan 0.000 0.271 272 P C -0.648 176.440 177.300 -0.353 0.000 1.216 272 P CA -0.230 62.701 63.100 -0.282 0.000 0.776 272 P CB 0.237 31.627 31.700 -0.518 0.000 0.881 273 F N 3.625 123.321 119.950 -0.423 0.000 2.390 273 F HA 0.400 4.941 4.527 0.022 0.000 0.361 273 F C -0.680 174.903 175.800 -0.363 0.000 1.124 273 F CA -0.453 57.390 58.000 -0.261 0.000 1.149 273 F CB 0.015 38.927 39.000 -0.147 0.000 1.160 273 F HN 0.119 nan 8.300 nan 0.000 0.501 274 F N 6.086 125.897 119.950 -0.233 0.000 2.404 274 F HA 0.400 4.940 4.527 0.023 0.000 0.339 274 F C -0.122 175.570 175.800 -0.180 0.000 1.105 274 F CA -0.787 57.140 58.000 -0.121 0.000 1.087 274 F CB 1.021 39.964 39.000 -0.095 0.000 1.143 274 F HN 0.197 nan 8.300 nan 0.000 0.491 275 L N 4.428 125.761 121.223 0.184 0.000 2.416 275 L HA 0.402 4.756 4.340 0.022 0.000 0.272 275 L C 0.090 177.008 176.870 0.080 0.000 1.161 275 L CA 0.087 55.018 54.840 0.151 0.000 0.845 275 L CB 0.534 42.694 42.059 0.168 0.000 1.119 275 L HN 0.693 nan 8.230 nan 0.000 0.464 276 R N 0.734 121.274 120.500 0.068 0.000 2.869 276 R HA 0.409 4.762 4.340 0.022 0.000 0.263 276 R C -0.837 175.502 176.300 0.066 0.000 1.066 276 R CA -0.953 55.172 56.100 0.042 0.000 0.960 276 R CB 1.545 31.845 30.300 0.000 0.000 1.221 276 R HN 0.402 nan 8.270 nan 0.000 0.474 277 T N 2.917 117.499 114.554 0.047 0.000 2.829 277 T HA 0.249 4.613 4.350 0.022 0.000 0.293 277 T C 0.168 174.904 174.700 0.059 0.000 0.970 277 T CA 0.361 62.492 62.100 0.051 0.000 1.168 277 T CB -0.415 68.474 68.868 0.035 0.000 0.911 277 T HN 0.321 nan 8.240 nan 0.000 0.535 278 I N -0.324 120.290 120.570 0.073 0.000 2.730 278 I HA 0.718 4.902 4.170 0.022 0.000 0.298 278 I C -0.210 175.945 176.117 0.062 0.000 1.089 278 I CA -1.087 60.259 61.300 0.078 0.000 1.041 278 I CB 2.356 40.429 38.000 0.121 0.000 1.235 278 I HN 0.386 nan 8.210 nan 0.000 0.423 279 S N 4.818 120.543 115.700 0.042 0.000 2.489 279 S HA 0.718 5.201 4.470 0.022 0.000 0.291 279 S C -0.700 173.912 174.600 0.020 0.000 1.151 279 S CA -0.639 57.578 58.200 0.028 0.000 1.082 279 S CB 0.726 63.929 63.200 0.005 0.000 1.019 279 S HN 0.532 nan 8.310 nan 0.000 0.492 280 L N 4.115 125.354 121.223 0.027 0.000 2.342 280 L HA 0.457 4.811 4.340 0.022 0.000 0.276 280 L C -0.338 176.408 176.870 -0.206 0.000 0.997 280 L CA -0.565 54.256 54.840 -0.032 0.000 0.838 280 L CB 1.908 44.012 42.059 0.074 0.000 1.224 280 L HN 0.537 nan 8.230 nan 0.000 0.416 281 S N 2.974 118.482 115.700 -0.320 0.000 2.489 281 S HA 0.734 5.218 4.470 0.022 0.000 0.291 281 S C -0.769 173.511 174.600 -0.533 0.000 1.151 281 S CA -0.396 57.641 58.200 -0.273 0.000 1.082 281 S CB 0.965 64.072 63.200 -0.156 0.000 1.019 281 S HN 0.278 nan 8.310 nan 0.000 0.492 282 F N 1.768 121.773 119.950 0.093 0.000 2.612 282 F HA 0.372 4.912 4.527 0.022 0.000 0.332 282 F C 0.154 175.975 175.800 0.035 0.000 1.167 282 F CA -0.706 57.328 58.000 0.056 0.000 0.970 282 F CB 1.481 40.486 39.000 0.008 0.000 1.234 282 F HN 0.613 nan 8.300 nan 0.000 0.453 283 E N 1.376 121.679 120.200 0.172 0.000 2.288 283 E HA 0.446 4.809 4.350 0.022 0.000 0.268 283 E C -1.569 175.095 176.600 0.107 0.000 0.885 283 E CA -1.078 55.394 56.400 0.119 0.000 0.767 283 E CB 2.154 31.904 29.700 0.083 0.000 1.220 283 E HN 0.235 nan 8.360 nan 0.000 0.427 284 D N 3.254 123.719 120.400 0.109 0.000 2.389 284 D HA 0.184 4.837 4.640 0.022 0.000 0.247 284 D C -2.093 174.302 176.300 0.160 0.000 1.128 284 D CA -1.184 52.894 54.000 0.129 0.000 0.884 284 D CB 0.720 41.603 40.800 0.139 0.000 1.194 284 D HN 0.275 nan 8.370 nan 0.000 0.441 285 P HA 0.051 nan 4.420 nan 0.000 0.271 285 P C -0.286 177.281 177.300 0.444 0.000 1.216 285 P CA -0.302 62.959 63.100 0.268 0.000 0.771 285 P CB 0.509 32.230 31.700 0.034 0.000 0.864 286 D N 4.454 125.100 120.400 0.410 0.000 2.339 286 D HA 0.052 4.705 4.640 0.022 0.000 0.256 286 D C -1.290 175.117 176.300 0.178 0.000 1.214 286 D CA -2.207 51.914 54.000 0.203 0.000 0.877 286 D CB 0.580 41.444 40.800 0.106 0.000 1.111 286 D HN 0.154 nan 8.370 nan 0.000 0.478 287 P HA -0.159 nan 4.420 nan 0.000 0.218 287 P C 0.714 177.954 177.300 -0.100 0.000 1.146 287 P CA 1.076 63.934 63.100 -0.403 0.000 0.813 287 P CB 0.379 31.604 31.700 -0.793 0.000 0.778 288 E N -0.150 119.997 120.200 -0.089 0.000 2.208 288 E HA -0.130 4.233 4.350 0.022 0.000 0.193 288 E C 2.097 178.633 176.600 -0.107 0.000 0.988 288 E CA 0.723 57.075 56.400 -0.081 0.000 0.828 288 E CB -0.149 29.513 29.700 -0.062 0.000 0.763 288 E HN 0.311 nan 8.360 nan 0.000 0.478 289 K N 0.163 120.476 120.400 -0.144 0.000 2.186 289 K HA -0.044 4.289 4.320 0.022 0.000 0.202 289 K C 0.030 176.331 176.600 -0.499 0.000 1.052 289 K CA 0.705 56.766 56.287 -0.376 0.000 0.965 289 K CB 0.350 32.509 32.500 -0.568 0.000 0.746 289 K HN 0.031 nan 8.250 nan 0.000 0.457 290 Y N 0.661 121.042 120.300 0.135 0.000 2.553 290 Y HA 0.284 4.847 4.550 0.022 0.000 0.369 290 Y C -2.075 173.988 175.900 0.272 0.000 0.964 290 Y CA -2.474 55.743 58.100 0.194 0.000 1.156 290 Y CB 1.099 39.700 38.460 0.236 0.000 1.218 290 Y HN 0.115 nan 8.280 nan 0.000 0.630 291 P HA -0.236 nan 4.420 nan 0.000 0.216 291 P C 1.467 178.897 177.300 0.217 0.000 1.150 291 P CA 1.918 65.078 63.100 0.100 0.000 0.837 291 P CB 0.392 31.922 31.700 -0.284 0.000 0.786 292 A N -0.822 122.117 122.820 0.198 0.000 2.015 292 A HA -0.149 4.184 4.320 0.022 0.000 0.219 292 A C 2.081 179.836 177.584 0.284 0.000 1.163 292 A CA 1.010 53.198 52.037 0.251 0.000 0.646 292 A CB -1.740 17.365 19.000 0.175 0.000 0.806 292 A HN 0.160 nan 8.150 nan 0.000 0.448 293 F N -0.396 119.632 119.950 0.130 0.000 2.186 293 F HA -0.062 4.478 4.527 0.022 0.000 0.299 293 F C 1.404 177.101 175.800 -0.173 0.000 1.090 293 F CA 1.185 59.156 58.000 -0.048 0.000 1.307 293 F CB -0.283 38.613 39.000 -0.173 0.000 1.019 293 F HN 0.182 nan 8.300 nan 0.000 0.489 294 F N 0.453 120.390 119.950 -0.021 0.000 2.802 294 F HA 0.073 4.614 4.527 0.023 0.000 0.300 294 F C 1.643 177.359 175.800 -0.140 0.000 1.168 294 F CA 0.293 58.221 58.000 -0.120 0.000 1.433 294 F CB -0.581 38.450 39.000 0.052 0.000 1.115 294 F HN -0.042 nan 8.300 nan 0.000 0.582 295 L N -0.701 120.500 121.223 -0.038 0.000 2.465 295 L HA -0.152 4.202 4.340 0.022 0.000 0.224 295 L C 2.146 178.814 176.870 -0.337 0.000 1.145 295 L CA 0.378 55.146 54.840 -0.120 0.000 0.834 295 L CB -0.515 41.526 42.059 -0.030 0.000 0.944 295 L HN 0.270 nan 8.230 nan 0.000 0.451 296 L N 0.648 121.593 121.223 -0.463 0.000 2.013 296 L HA -0.284 4.070 4.340 0.022 0.000 0.212 296 L C 2.751 179.246 176.870 -0.624 0.000 1.073 296 L CA 1.985 56.489 54.840 -0.559 0.000 0.753 296 L CB -0.472 41.314 42.059 -0.455 0.000 0.890 296 L HN 0.402 nan 8.230 nan 0.000 0.432 297 K N -0.850 119.245 120.400 -0.508 0.000 2.147 297 K HA -0.175 4.159 4.320 0.022 0.000 0.205 297 K C 1.689 178.055 176.600 -0.390 0.000 1.049 297 K CA 1.306 57.253 56.287 -0.567 0.000 0.936 297 K CB -0.236 32.153 32.500 -0.185 0.000 0.722 297 K HN 0.231 nan 8.250 nan 0.000 0.446 298 E N 0.966 120.999 120.200 -0.279 0.000 2.216 298 E HA -0.092 4.271 4.350 0.022 0.000 0.192 298 E C 1.961 178.423 176.600 -0.229 0.000 0.988 298 E CA 1.132 57.413 56.400 -0.199 0.000 0.834 298 E CB -0.031 29.597 29.700 -0.121 0.000 0.772 298 E HN 0.695 nan 8.360 nan 0.000 0.479 299 I N -1.619 118.758 120.570 -0.321 0.000 4.035 299 I HA 0.080 4.263 4.170 0.022 0.000 0.321 299 I C 1.902 177.817 176.117 -0.335 0.000 1.289 299 I CA 0.089 61.210 61.300 -0.299 0.000 1.236 299 I CB -0.106 37.685 38.000 -0.350 0.000 1.076 299 I HN -0.161 nan 8.210 nan 0.000 0.418 300 K N 0.760 120.907 120.400 -0.422 0.000 2.152 300 K HA -0.148 4.185 4.320 0.022 0.000 0.206 300 K C 0.705 177.090 176.600 -0.358 0.000 1.048 300 K CA 1.916 57.950 56.287 -0.422 0.000 0.933 300 K CB -0.526 31.623 32.500 -0.584 0.000 0.721 300 K HN 0.309 nan 8.250 nan 0.000 0.447 301 D N 0.675 120.891 120.400 -0.305 0.000 2.349 301 D HA -0.004 4.649 4.640 0.022 0.000 0.215 301 D C -0.043 176.097 176.300 -0.266 0.000 1.016 301 D CA 0.461 54.311 54.000 -0.250 0.000 0.870 301 D CB 0.596 41.297 40.800 -0.166 0.000 0.917 301 D HN 0.163 nan 8.370 nan 0.000 0.524 302 S N -0.143 115.393 115.700 -0.274 0.000 2.566 302 S HA 0.177 4.661 4.470 0.022 0.000 0.324 302 S C 0.556 175.024 174.600 -0.220 0.000 1.081 302 S CA -0.634 57.455 58.200 -0.185 0.000 1.105 302 S CB 0.290 63.442 63.200 -0.080 0.000 0.981 302 S HN -0.060 nan 8.310 nan 0.000 0.464 303 Y N 3.386 123.666 120.300 -0.034 0.000 2.403 303 Y HA -0.052 4.512 4.550 0.023 0.000 0.291 303 Y C 2.467 178.373 175.900 0.010 0.000 1.143 303 Y CA 1.257 59.378 58.100 0.036 0.000 1.257 303 Y CB -0.435 38.100 38.460 0.124 0.000 0.984 303 Y HN 0.831 nan 8.280 nan 0.000 0.550 304 A N 0.203 123.070 122.820 0.079 0.000 1.855 304 A HA -0.131 4.203 4.320 0.022 0.000 0.215 304 A C 2.186 179.672 177.584 -0.163 0.000 1.191 304 A CA 1.498 53.486 52.037 -0.082 0.000 0.613 304 A CB -1.008 17.960 19.000 -0.054 0.000 0.829 304 A HN 0.448 nan 8.150 nan 0.000 0.442 305 L N -1.151 120.021 121.223 -0.085 0.000 2.093 305 L HA -0.163 4.191 4.340 0.022 0.000 0.208 305 L C 2.840 179.683 176.870 -0.045 0.000 1.085 305 L CA 1.361 56.151 54.840 -0.083 0.000 0.755 305 L CB -0.450 41.574 42.059 -0.060 0.000 0.904 305 L HN 0.334 nan 8.230 nan 0.000 0.435 306 R N -0.702 119.778 120.500 -0.033 0.000 2.075 306 R HA -0.092 4.261 4.340 0.022 0.000 0.232 306 R C 2.321 178.727 176.300 0.175 0.000 1.126 306 R CA 1.736 57.879 56.100 0.072 0.000 0.963 306 R CB -0.641 29.665 30.300 0.010 0.000 0.858 306 R HN 0.267 nan 8.270 nan 0.000 0.435 307 T N 0.934 115.548 114.554 0.100 0.000 2.708 307 T HA -0.152 4.212 4.350 0.022 0.000 0.266 307 T C 1.991 176.658 174.700 -0.054 0.000 1.037 307 T CA 1.488 63.635 62.100 0.079 0.000 1.146 307 T CB -0.300 68.608 68.868 0.067 0.000 0.865 307 T HN 0.383 nan 8.240 nan 0.000 0.435 308 A N 1.052 123.715 122.820 -0.263 0.000 1.933 308 A HA -0.043 4.291 4.320 0.022 0.000 0.218 308 A C 2.005 179.526 177.584 -0.105 0.000 1.175 308 A CA 1.395 53.179 52.037 -0.421 0.000 0.628 308 A CB -1.004 17.479 19.000 -0.862 0.000 0.814 308 A HN 0.473 nan 8.150 nan 0.000 0.444 309 F N 1.646 121.532 119.950 -0.106 0.000 2.065 309 F HA -0.253 4.288 4.527 0.022 0.000 0.298 309 F C 2.204 178.071 175.800 0.112 0.000 1.112 309 F CA 2.206 60.211 58.000 0.007 0.000 1.212 309 F CB -0.398 38.622 39.000 0.033 0.000 0.975 309 F HN 0.402 nan 8.300 nan 0.000 0.476 310 N N 0.565 119.394 118.700 0.214 0.000 2.084 310 N HA -0.206 4.547 4.740 0.022 0.000 0.190 310 N C 1.985 177.530 175.510 0.058 0.000 1.030 310 N CA 1.514 54.677 53.050 0.188 0.000 0.849 310 N CB -0.341 38.237 38.487 0.151 0.000 1.012 310 N HN 0.416 nan 8.380 nan 0.000 0.423 311 A N 1.094 123.916 122.820 0.003 0.000 1.877 311 A HA -0.005 4.328 4.320 0.022 0.000 0.216 311 A C 2.470 179.977 177.584 -0.127 0.000 1.186 311 A CA 2.033 53.998 52.037 -0.120 0.000 0.620 311 A CB -1.099 17.695 19.000 -0.342 0.000 0.822 311 A HN 0.507 nan 8.150 nan 0.000 0.443 312 A N -0.219 122.526 122.820 -0.125 0.000 1.908 312 A HA -0.224 4.109 4.320 0.022 0.000 0.218 312 A C 1.833 179.343 177.584 -0.123 0.000 1.181 312 A CA 2.272 54.244 52.037 -0.109 0.000 0.627 312 A CB -0.764 18.184 19.000 -0.086 0.000 0.818 312 A HN 0.580 nan 8.150 nan 0.000 0.445 313 D N -0.756 119.543 120.400 -0.168 0.000 2.117 313 D HA -0.194 4.460 4.640 0.022 0.000 0.197 313 D C 1.952 178.224 176.300 -0.048 0.000 0.987 313 D CA 1.550 55.455 54.000 -0.159 0.000 0.829 313 D CB -0.171 40.503 40.800 -0.210 0.000 0.961 313 D HN 0.621 nan 8.370 nan 0.000 0.460 314 E N -0.464 119.733 120.200 -0.005 0.000 2.058 314 E HA -0.187 4.176 4.350 0.022 0.000 0.194 314 E C 2.108 178.707 176.600 -0.002 0.000 0.997 314 E CA 1.284 57.696 56.400 0.020 0.000 0.801 314 E CB 0.016 29.738 29.700 0.037 0.000 0.746 314 E HN 0.168 nan 8.360 nan 0.000 0.450 315 V N 1.136 121.029 119.914 -0.035 0.000 2.295 315 V HA -0.271 3.863 4.120 0.022 0.000 0.246 315 V C 2.464 178.551 176.094 -0.013 0.000 1.049 315 V CA 1.913 64.192 62.300 -0.035 0.000 1.024 315 V CB -0.803 30.984 31.823 -0.061 0.000 0.648 315 V HN 0.466 nan 8.190 nan 0.000 0.447 316 A N -0.439 122.364 122.820 -0.028 0.000 1.902 316 A HA -0.149 4.185 4.320 0.022 0.000 0.217 316 A C 2.382 179.984 177.584 0.030 0.000 1.181 316 A CA 2.016 54.040 52.037 -0.022 0.000 0.623 316 A CB -0.653 18.298 19.000 -0.081 0.000 0.818 316 A HN 0.331 nan 8.150 nan 0.000 0.443 317 V N 0.006 119.938 119.914 0.030 0.000 2.358 317 V HA -0.263 3.870 4.120 0.022 0.000 0.246 317 V C 2.532 178.718 176.094 0.153 0.000 1.047 317 V CA 2.302 64.669 62.300 0.113 0.000 1.035 317 V CB -0.679 31.199 31.823 0.091 0.000 0.658 317 V HN 0.798 nan 8.190 nan 0.000 0.452 318 E N 0.316 120.567 120.200 0.085 0.000 2.085 318 E HA -0.239 4.125 4.350 0.022 0.000 0.194 318 E C 2.205 178.843 176.600 0.062 0.000 0.994 318 E CA 1.450 57.888 56.400 0.063 0.000 0.801 318 E CB -0.238 29.483 29.700 0.034 0.000 0.743 318 E HN 0.563 nan 8.360 nan 0.000 0.453 319 A N 0.590 123.451 122.820 0.069 0.000 1.902 319 A HA -0.169 4.165 4.320 0.022 0.000 0.217 319 A C 1.991 179.644 177.584 0.115 0.000 1.181 319 A CA 1.284 53.361 52.037 0.067 0.000 0.623 319 A CB -0.879 18.153 19.000 0.054 0.000 0.818 319 A HN 0.528 nan 8.150 nan 0.000 0.443 320 F N 0.771 120.721 119.950 0.001 0.000 2.095 320 F HA -0.156 4.384 4.527 0.022 0.000 0.298 320 F C 1.838 177.661 175.800 0.038 0.000 1.104 320 F CA 1.787 59.801 58.000 0.023 0.000 1.232 320 F CB -0.450 38.565 39.000 0.026 0.000 0.987 320 F HN 0.136 nan 8.300 nan 0.000 0.475 321 L N -0.083 121.062 121.223 -0.130 0.000 2.201 321 L HA -0.160 4.193 4.340 0.022 0.000 0.212 321 L C 2.141 178.913 176.870 -0.163 0.000 1.105 321 L CA 1.222 55.920 54.840 -0.237 0.000 0.775 321 L CB -0.581 41.447 42.059 -0.052 0.000 0.913 321 L HN 0.086 nan 8.230 nan 0.000 0.440 322 K N -0.134 120.217 120.400 -0.082 0.000 2.459 322 K HA 0.102 4.436 4.320 0.022 0.000 0.193 322 K C 1.186 177.750 176.600 -0.060 0.000 1.030 322 K CA 0.572 56.827 56.287 -0.054 0.000 1.026 322 K CB 0.282 32.771 32.500 -0.018 0.000 0.809 322 K HN 0.377 nan 8.250 nan 0.000 0.504 323 G N 1.787 110.533 108.800 -0.091 0.000 2.143 323 G HA2 -0.307 3.666 3.960 0.022 0.000 0.249 323 G HA3 -0.307 3.666 3.960 0.022 0.000 0.249 323 G C 0.691 175.589 174.900 -0.003 0.000 0.981 323 G CA 0.308 45.369 45.100 -0.065 0.000 0.665 323 G HN 0.318 nan 8.290 nan 0.000 0.528 324 R N -0.231 120.279 120.500 0.017 0.000 2.153 324 R HA 0.332 4.686 4.340 0.022 0.000 0.218 324 R C 1.515 177.851 176.300 0.061 0.000 1.072 324 R CA 1.485 57.604 56.100 0.032 0.000 0.990 324 R CB 0.033 30.348 30.300 0.024 0.000 0.889 324 R HN 0.777 nan 8.270 nan 0.000 0.452 325 I N -2.690 117.945 120.570 0.109 0.000 2.994 325 I HA 0.498 4.682 4.170 0.022 0.000 0.306 325 I C -0.516 175.754 176.117 0.256 0.000 1.195 325 I CA -1.470 59.913 61.300 0.139 0.000 1.001 325 I CB 1.916 39.977 38.000 0.103 0.000 1.244 325 I HN -0.301 nan 8.210 nan 0.000 0.437 326 R N 1.366 122.004 120.500 0.229 0.000 2.580 326 R HA 0.293 4.647 4.340 0.022 0.000 0.267 326 R C 0.573 177.044 176.300 0.285 0.000 1.125 326 R CA -0.602 55.700 56.100 0.336 0.000 1.188 326 R CB 0.204 30.645 30.300 0.234 0.000 1.155 326 R HN 0.846 nan 8.270 nan 0.000 0.586 327 F N 1.047 121.043 119.950 0.077 0.000 2.091 327 F HA -0.150 4.390 4.527 0.022 0.000 0.299 327 F C 1.963 177.634 175.800 -0.216 0.000 1.103 327 F CA 2.402 60.145 58.000 -0.429 0.000 1.228 327 F CB -0.523 38.272 39.000 -0.341 0.000 0.984 327 F HN 0.678 nan 8.300 nan 0.000 0.477 328 G N -0.853 107.963 108.800 0.027 0.000 2.509 328 G HA2 -0.129 3.844 3.960 0.022 0.000 0.218 328 G HA3 -0.129 3.844 3.960 0.022 0.000 0.218 328 G C 1.824 176.623 174.900 -0.168 0.000 1.124 328 G CA 0.552 45.674 45.100 0.037 0.000 0.776 328 G HN 0.626 nan 8.290 nan 0.000 0.547 329 G N 0.702 109.409 108.800 -0.156 0.000 2.534 329 G HA2 -0.010 3.963 3.960 0.022 0.000 0.217 329 G HA3 -0.010 3.963 3.960 0.022 0.000 0.217 329 G C 1.525 176.278 174.900 -0.246 0.000 1.128 329 G CA 0.506 45.499 45.100 -0.178 0.000 0.784 329 G HN 0.359 nan 8.290 nan 0.000 0.542 330 I N 1.459 121.836 120.570 -0.320 0.000 2.142 330 I HA -0.160 4.023 4.170 0.022 0.000 0.240 330 I C 2.703 178.685 176.117 -0.226 0.000 1.078 330 I CA 1.496 62.612 61.300 -0.306 0.000 1.343 330 I CB -0.633 37.072 38.000 -0.491 0.000 1.046 330 I HN 0.456 nan 8.210 nan 0.000 0.405 331 H N 1.301 120.228 119.070 -0.239 0.000 2.421 331 H HA -0.060 4.510 4.556 0.022 0.000 0.298 331 H C 2.065 177.355 175.328 -0.063 0.000 1.087 331 H CA 1.265 57.240 56.048 -0.123 0.000 1.330 331 H CB -0.430 29.285 29.762 -0.077 0.000 1.388 331 H HN 0.332 nan 8.280 nan 0.000 0.526 332 R N 0.639 120.795 120.500 -0.574 0.000 2.075 332 R HA -0.019 4.334 4.340 0.022 0.000 0.232 332 R C 2.758 178.968 176.300 -0.151 0.000 1.126 332 R CA 1.163 57.053 56.100 -0.349 0.000 0.963 332 R CB -0.137 29.948 30.300 -0.358 0.000 0.858 332 R HN 0.140 nan 8.270 nan 0.000 0.435 333 V N 1.771 121.604 119.914 -0.135 0.000 2.287 333 V HA -0.265 3.868 4.120 0.022 0.000 0.248 333 V C 2.302 178.371 176.094 -0.042 0.000 1.053 333 V CA 1.821 64.081 62.300 -0.067 0.000 1.027 333 V CB -0.435 31.350 31.823 -0.064 0.000 0.646 333 V HN 0.260 nan 8.190 nan 0.000 0.447 334 I N -0.176 120.362 120.570 -0.054 0.000 2.142 334 I HA -0.267 3.916 4.170 0.022 0.000 0.240 334 I C 2.560 178.713 176.117 0.059 0.000 1.078 334 I CA 1.837 63.129 61.300 -0.013 0.000 1.343 334 I CB -0.483 37.493 38.000 -0.040 0.000 1.046 334 I HN 0.345 nan 8.210 nan 0.000 0.405 335 E N 0.979 121.215 120.200 0.061 0.000 2.058 335 E HA -0.254 4.110 4.350 0.022 0.000 0.194 335 E C 2.195 178.827 176.600 0.052 0.000 0.997 335 E CA 1.444 57.890 56.400 0.076 0.000 0.801 335 E CB -0.062 29.683 29.700 0.075 0.000 0.746 335 E HN 0.400 nan 8.360 nan 0.000 0.450 336 K N -0.071 120.341 120.400 0.019 0.000 2.097 336 K HA -0.069 4.265 4.320 0.022 0.000 0.205 336 K C 2.249 178.877 176.600 0.047 0.000 1.050 336 K CA 1.486 57.778 56.287 0.009 0.000 0.938 336 K CB -0.058 32.426 32.500 -0.027 0.000 0.718 336 K HN 0.059 nan 8.250 nan 0.000 0.442 337 T N 1.853 116.451 114.554 0.073 0.000 2.777 337 T HA -0.073 4.290 4.350 0.022 0.000 0.266 337 T C 1.823 176.678 174.700 0.259 0.000 1.040 337 T CA 0.928 63.117 62.100 0.147 0.000 1.141 337 T CB -0.164 68.772 68.868 0.112 0.000 0.868 337 T HN 0.095 nan 8.240 nan 0.000 0.444 338 L N 0.759 122.095 121.223 0.187 0.000 2.079 338 L HA -0.139 4.215 4.340 0.022 0.000 0.210 338 L C 2.683 179.672 176.870 0.198 0.000 1.081 338 L CA 1.432 56.394 54.840 0.204 0.000 0.752 338 L CB -0.595 41.547 42.059 0.138 0.000 0.896 338 L HN 0.345 nan 8.230 nan 0.000 0.433 339 E N -0.020 120.253 120.200 0.121 0.000 2.160 339 E HA -0.249 4.114 4.350 0.022 0.000 0.195 339 E C 1.888 178.521 176.600 0.057 0.000 0.991 339 E CA 1.241 57.683 56.400 0.070 0.000 0.810 339 E CB -0.048 29.668 29.700 0.028 0.000 0.742 339 E HN 0.549 nan 8.360 nan 0.000 0.466 340 E N -0.619 119.614 120.200 0.055 0.000 2.427 340 E HA -0.073 4.290 4.350 0.022 0.000 0.196 340 E C 0.774 177.248 176.600 -0.210 0.000 1.028 340 E CA 0.400 56.747 56.400 -0.088 0.000 0.864 340 E CB 0.153 29.759 29.700 -0.158 0.000 0.813 340 E HN 0.271 nan 8.360 nan 0.000 0.514 341 F N 1.107 121.098 119.950 0.068 0.000 2.678 341 F HA 0.141 4.681 4.527 0.022 0.000 0.305 341 F C 0.493 176.367 175.800 0.124 0.000 1.090 341 F CA -0.355 57.716 58.000 0.120 0.000 1.272 341 F CB 0.399 39.418 39.000 0.031 0.000 1.060 341 F HN -0.248 nan 8.300 nan 0.000 0.576 342 Q N 0.577 120.491 119.800 0.191 0.000 2.308 342 Q HA 0.168 4.521 4.340 0.022 0.000 0.313 342 Q C 1.421 177.494 176.000 0.121 0.000 1.075 342 Q CA 1.191 57.068 55.803 0.122 0.000 0.995 342 Q CB 0.035 28.810 28.738 0.062 0.000 1.107 342 Q HN 0.586 nan 8.270 nan 0.000 0.380 343 G N 2.046 110.913 108.800 0.113 0.000 2.184 343 G HA2 -0.366 3.607 3.960 0.022 0.000 0.264 343 G HA3 -0.366 3.607 3.960 0.022 0.000 0.264 343 G C -0.188 174.786 174.900 0.123 0.000 0.975 343 G CA 0.052 45.203 45.100 0.085 0.000 0.642 343 G HN 0.703 nan 8.290 nan 0.000 0.536 344 Y N 3.068 123.415 120.300 0.078 0.000 2.702 344 Y HA 0.379 4.942 4.550 0.022 0.000 0.336 344 Y C -0.791 175.152 175.900 0.071 0.000 1.235 344 Y CA -0.412 57.749 58.100 0.102 0.000 1.492 344 Y CB 0.661 39.249 38.460 0.214 0.000 1.308 344 Y HN 0.190 nan 8.280 nan 0.000 0.589 345 P HA -0.002 nan 4.420 nan 0.000 0.274 345 P C -1.500 175.938 177.300 0.230 0.000 1.231 345 P CA -0.492 62.690 63.100 0.136 0.000 0.790 345 P CB 0.830 32.547 31.700 0.028 0.000 0.951 346 Q N 3.176 123.042 119.800 0.110 0.000 2.247 346 Q HA 0.110 4.463 4.340 0.022 0.000 0.288 346 Q C -1.901 174.122 176.000 0.038 0.000 1.079 346 Q CA -1.010 54.826 55.803 0.055 0.000 0.932 346 Q CB -0.451 28.273 28.738 -0.023 0.000 1.133 346 Q HN 0.300 nan 8.270 nan 0.000 0.377 347 P HA 0.037 nan 4.420 nan 0.000 0.269 347 P C -0.671 176.604 177.300 -0.042 0.000 1.215 347 P CA 0.130 63.286 63.100 0.094 0.000 0.780 347 P CB 0.973 32.801 31.700 0.214 0.000 0.898 348 R N -0.333 120.234 120.500 0.112 0.000 2.369 348 R HA 0.152 4.506 4.340 0.022 0.000 0.210 348 R C 0.647 177.122 176.300 0.292 0.000 0.881 348 R CA 0.444 56.625 56.100 0.135 0.000 1.031 348 R CB 0.439 30.781 30.300 0.071 0.000 1.184 348 R HN 0.645 nan 8.270 nan 0.000 0.581 349 T N -2.647 112.055 114.554 0.246 0.000 2.901 349 T HA 0.203 4.567 4.350 0.022 0.000 0.293 349 T C 0.689 175.455 174.700 0.110 0.000 1.084 349 T CA -0.846 61.342 62.100 0.146 0.000 1.008 349 T CB 1.660 70.582 68.868 0.091 0.000 1.170 349 T HN -0.099 nan 8.240 nan 0.000 0.509 350 L N 1.196 122.421 121.223 0.004 0.000 2.021 350 L HA -0.081 4.273 4.340 0.022 0.000 0.215 350 L C 2.118 179.033 176.870 0.075 0.000 1.074 350 L CA 2.697 57.529 54.840 -0.013 0.000 0.760 350 L CB -1.156 40.870 42.059 -0.055 0.000 0.889 350 L HN 1.003 nan 8.230 nan 0.000 0.433 351 D N -1.210 119.236 120.400 0.076 0.000 2.123 351 D HA -0.224 4.429 4.640 0.022 0.000 0.196 351 D C 1.712 178.090 176.300 0.130 0.000 0.992 351 D CA 1.518 55.574 54.000 0.093 0.000 0.833 351 D CB -0.085 40.756 40.800 0.068 0.000 0.954 351 D HN 0.456 nan 8.370 nan 0.000 0.455 352 D N -0.509 119.981 120.400 0.149 0.000 2.123 352 D HA -0.125 4.529 4.640 0.022 0.000 0.196 352 D C 2.286 178.709 176.300 0.205 0.000 0.992 352 D CA 0.798 54.910 54.000 0.187 0.000 0.833 352 D CB -0.323 40.598 40.800 0.202 0.000 0.954 352 D HN 0.189 nan 8.370 nan 0.000 0.455 353 V N 1.352 121.400 119.914 0.224 0.000 2.307 353 V HA -0.210 3.924 4.120 0.022 0.000 0.245 353 V C 2.266 178.528 176.094 0.280 0.000 1.045 353 V CA 1.619 64.076 62.300 0.263 0.000 1.024 353 V CB -0.525 31.467 31.823 0.283 0.000 0.651 353 V HN 0.215 nan 8.190 nan 0.000 0.449 354 E N -0.019 120.372 120.200 0.319 0.000 2.160 354 E HA -0.271 4.093 4.350 0.022 0.000 0.195 354 E C 2.396 179.084 176.600 0.146 0.000 0.991 354 E CA 1.233 57.796 56.400 0.272 0.000 0.810 354 E CB -0.227 29.651 29.700 0.297 0.000 0.742 354 E HN 0.470 nan 8.360 nan 0.000 0.466 355 R N 0.994 121.585 120.500 0.152 0.000 2.066 355 R HA -0.121 4.233 4.340 0.022 0.000 0.232 355 R C 2.346 178.755 176.300 0.182 0.000 1.131 355 R CA 1.046 57.245 56.100 0.165 0.000 0.955 355 R CB -0.180 30.223 30.300 0.172 0.000 0.851 355 R HN 0.120 nan 8.270 nan 0.000 0.432 356 I N 0.118 120.753 120.570 0.108 0.000 2.163 356 I HA -0.344 3.840 4.170 0.022 0.000 0.243 356 I C 2.725 178.783 176.117 -0.098 0.000 1.085 356 I CA 1.586 62.861 61.300 -0.042 0.000 1.347 356 I CB -0.675 37.185 38.000 -0.233 0.000 1.044 356 I HN 0.385 nan 8.210 nan 0.000 0.408 357 H N 0.754 119.683 119.070 -0.236 0.000 2.289 357 H HA -0.289 4.280 4.556 0.022 0.000 0.296 357 H C 2.305 177.506 175.328 -0.212 0.000 1.091 357 H CA 2.461 58.260 56.048 -0.414 0.000 1.274 357 H CB -0.326 28.795 29.762 -1.070 0.000 1.364 357 H HN 0.309 nan 8.280 nan 0.000 0.490 358 F N 1.853 121.675 119.950 -0.214 0.000 2.095 358 F HA -0.191 4.351 4.527 0.025 0.000 0.298 358 F C 2.577 178.323 175.800 -0.090 0.000 1.104 358 F CA 1.966 59.880 58.000 -0.143 0.000 1.232 358 F CB -0.199 38.788 39.000 -0.021 0.000 0.987 358 F HN 0.269 nan 8.300 nan 0.000 0.475 359 E N 0.035 120.338 120.200 0.172 0.000 2.077 359 E HA -0.233 4.131 4.350 0.022 0.000 0.193 359 E C 2.358 179.052 176.600 0.156 0.000 0.989 359 E CA 1.077 57.593 56.400 0.194 0.000 0.800 359 E CB -0.470 29.451 29.700 0.369 0.000 0.746 359 E HN 0.513 nan 8.360 nan 0.000 0.452 360 A N 1.340 124.210 122.820 0.084 0.000 1.898 360 A HA -0.141 4.193 4.320 0.022 0.000 0.216 360 A C 2.186 179.691 177.584 -0.132 0.000 1.181 360 A CA 0.857 52.891 52.037 -0.005 0.000 0.620 360 A CB -0.526 18.238 19.000 -0.394 0.000 0.819 360 A HN 0.128 nan 8.150 nan 0.000 0.442 361 I N -0.432 119.943 120.570 -0.324 0.000 2.208 361 I HA -0.277 3.907 4.170 0.022 0.000 0.245 361 I C 2.350 178.320 176.117 -0.245 0.000 1.097 361 I CA 1.389 62.487 61.300 -0.336 0.000 1.363 361 I CB -0.216 37.492 38.000 -0.486 0.000 1.051 361 I HN 0.253 nan 8.210 nan 0.000 0.413 362 K N 0.993 121.224 120.400 -0.281 0.000 2.025 362 K HA -0.123 4.210 4.320 0.022 0.000 0.207 362 K C 2.000 178.549 176.600 -0.086 0.000 1.049 362 K CA 1.223 57.382 56.287 -0.213 0.000 0.933 362 K CB -0.392 31.951 32.500 -0.262 0.000 0.714 362 K HN 0.343 nan 8.250 nan 0.000 0.438 363 K N 0.727 121.112 120.400 -0.025 0.000 2.103 363 K HA -0.087 4.246 4.320 0.022 0.000 0.207 363 K C 2.205 178.825 176.600 0.033 0.000 1.048 363 K CA 1.322 57.627 56.287 0.030 0.000 0.930 363 K CB -0.149 32.405 32.500 0.091 0.000 0.716 363 K HN 0.115 nan 8.250 nan 0.000 0.444 364 A N 1.436 124.262 122.820 0.010 0.000 1.929 364 A HA -0.202 4.132 4.320 0.022 0.000 0.216 364 A C 2.053 179.631 177.584 -0.010 0.000 1.176 364 A CA 1.457 53.492 52.037 -0.002 0.000 0.628 364 A CB -0.393 18.584 19.000 -0.040 0.000 0.816 364 A HN 0.409 nan 8.150 nan 0.000 0.444 365 E N -0.021 120.158 120.200 -0.035 0.000 2.070 365 E HA -0.259 4.104 4.350 0.022 0.000 0.197 365 E C 2.237 178.839 176.600 0.004 0.000 1.004 365 E CA 1.481 57.863 56.400 -0.030 0.000 0.805 365 E CB -0.139 29.523 29.700 -0.063 0.000 0.744 365 E HN 0.593 nan 8.360 nan 0.000 0.451 366 R N -0.082 120.432 120.500 0.023 0.000 2.073 366 R HA -0.121 4.232 4.340 0.022 0.000 0.234 366 R C 2.524 178.923 176.300 0.164 0.000 1.134 366 R CA 1.452 57.597 56.100 0.075 0.000 0.952 366 R CB -0.375 29.983 30.300 0.096 0.000 0.850 366 R HN 0.148 nan 8.270 nan 0.000 0.433 367 V N 0.687 120.686 119.914 0.141 0.000 2.287 367 V HA -0.280 3.854 4.120 0.022 0.000 0.248 367 V C 2.231 178.413 176.094 0.148 0.000 1.053 367 V CA 2.296 64.690 62.300 0.156 0.000 1.027 367 V CB -0.689 31.173 31.823 0.066 0.000 0.646 367 V HN 0.424 nan 8.190 nan 0.000 0.447 368 T N -0.481 114.118 114.554 0.076 0.000 2.684 368 T HA -0.249 4.114 4.350 0.022 0.000 0.267 368 T C 1.805 176.540 174.700 0.058 0.000 1.036 368 T CA 1.905 64.035 62.100 0.050 0.000 1.148 368 T CB -0.291 68.589 68.868 0.019 0.000 0.863 368 T HN 0.604 nan 8.240 nan 0.000 0.436 369 E N -0.159 120.065 120.200 0.039 0.000 2.049 369 E HA -0.181 4.183 4.350 0.022 0.000 0.198 369 E C 1.965 178.553 176.600 -0.019 0.000 1.007 369 E CA 1.387 57.774 56.400 -0.022 0.000 0.809 369 E CB -0.234 29.415 29.700 -0.085 0.000 0.749 369 E HN 0.583 nan 8.360 nan 0.000 0.450 370 W N 0.972 122.262 121.300 -0.016 0.000 2.317 370 W HA -0.216 4.457 4.660 0.022 0.000 0.318 370 W C 2.127 178.637 176.519 -0.014 0.000 1.227 370 W CA 1.062 58.398 57.345 -0.015 0.000 1.269 370 W CB -0.310 29.139 29.460 -0.017 0.000 1.155 370 W HN 0.070 nan 8.180 nan 0.000 0.484 371 L N -0.887 120.492 121.223 0.260 0.000 2.141 371 L HA -0.205 4.148 4.340 0.022 0.000 0.209 371 L C 2.549 179.476 176.870 0.096 0.000 1.094 371 L CA 1.241 56.168 54.840 0.145 0.000 0.763 371 L CB -1.097 41.006 42.059 0.073 0.000 0.908 371 L HN -0.062 nan 8.230 nan 0.000 0.437 372 S N -0.548 115.194 115.700 0.069 0.000 2.368 372 S HA -0.147 4.337 4.470 0.022 0.000 0.224 372 S C 2.128 176.740 174.600 0.021 0.000 1.029 372 S CA 1.557 59.779 58.200 0.037 0.000 0.988 372 S CB -0.039 63.169 63.200 0.014 0.000 0.838 372 S HN 0.383 nan 8.310 nan 0.000 0.462 373 S N 0.773 116.470 115.700 -0.004 0.000 2.507 373 S HA 0.055 4.539 4.470 0.022 0.000 0.235 373 S C 0.717 175.336 174.600 0.031 0.000 0.988 373 S CA 0.687 58.868 58.200 -0.030 0.000 0.944 373 S CB -0.561 62.555 63.200 -0.141 0.000 0.762 373 S HN 0.730 nan 8.310 nan 0.000 0.526 374 T N 0.000 114.604 114.554 0.083 0.000 3.816 374 T HA 0.000 4.363 4.350 0.022 0.000 0.228 374 T CA 0.000 62.172 62.100 0.120 0.000 1.349 374 T CB 0.000 68.915 68.868 0.079 0.000 0.612 374 T HN 0.000 nan 8.240 nan 0.000 0.658