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 3oc2_1_A DATA FIRST_RESID 50 DATA SEQUENCE ARSVRHIAIP AHRGLITDRN GEPLAVSTPV TTLWANPKEL MTAKERWPQL DATA SEQUENCE AAALGQDTKL FADRIEQNAE REFIYLVRGL TPEQGEGVIA LKVPGVYSIE DATA SEQUENCE EFRRFYPAGE VVAHAVGFTD VDDRGREGIE LAFDEWLAGV PGKRQVLKDR DATA SEQUENCE RGRVIKDVQV TKNAKPGKTL ALSIDLRLQY LAHRELRNAL LENGAKAGSL DATA SEQUENCE VIMDVKTGEI LAMTNQPTYN PNNRRNLQPA AMRNRAMIDV FEPGSTVKPF DATA SEQUENCE SMSAALASGR WKPSDIVDVY PGTLQIGRYT IRDVSRNSRQ LDLTGILIKS DATA SEQUENCE SNVGISKIAF DIGAESIYSV MQQVGLGQDT GLGFPGERVG NLPNHRKWPK DATA SEQUENCE AETATLAYGY GLSVTAIQLA HAYAALANDG KSVPLSMTRV DRVPDGVQVI DATA SEQUENCE SPEVASTVQG MLQQVVEAQG GVFRAQVPGY HAAGKSGTAR KXXXXXXXXX DATA SEQUENCE AYRSLFAGFA PATDPRIAMV VVIDEPXXXX XFGGLVSAPV FSKVMAGALR DATA SEQUENCE LMNVPPDNL 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 50 A HA 0.000 nan 4.320 nan 0.000 0.244 50 A C 0.000 177.585 177.584 0.001 0.000 1.274 50 A CA 0.000 52.038 52.037 0.002 0.000 0.836 50 A CB 0.000 19.002 19.000 0.003 0.000 0.831 51 R N -0.206 120.292 120.500 -0.003 0.000 2.869 51 R HA 0.916 5.247 4.340 -0.016 0.000 0.263 51 R C -0.785 175.506 176.300 -0.016 0.000 1.066 51 R CA -0.030 56.065 56.100 -0.008 0.000 0.960 51 R CB 1.857 32.151 30.300 -0.010 0.000 1.221 51 R HN 1.517 nan 8.270 nan 0.000 0.474 52 S N -1.267 114.418 115.700 -0.026 0.000 2.547 52 S HA 0.537 4.997 4.470 -0.016 0.000 0.270 52 S C -1.089 173.470 174.600 -0.068 0.000 1.150 52 S CA -0.831 57.342 58.200 -0.045 0.000 0.850 52 S CB 1.837 65.011 63.200 -0.043 0.000 1.118 52 S HN 0.175 nan 8.310 nan 0.000 0.461 53 V N 2.771 122.622 119.914 -0.105 0.000 2.378 53 V HA 0.641 4.752 4.120 -0.016 0.000 0.288 53 V C -0.670 175.257 176.094 -0.277 0.000 1.016 53 V CA -0.682 61.521 62.300 -0.161 0.000 0.840 53 V CB 1.274 33.005 31.823 -0.152 0.000 0.994 53 V HN 0.839 nan 8.190 nan 0.000 0.431 54 R N 3.027 123.371 120.500 -0.260 0.000 2.604 54 R HA 0.560 4.890 4.340 -0.016 0.000 0.287 54 R C -0.584 175.506 176.300 -0.349 0.000 0.970 54 R CA -0.783 55.138 56.100 -0.298 0.000 0.946 54 R CB 0.833 31.030 30.300 -0.172 0.000 1.127 54 R HN 0.654 nan 8.270 nan 0.000 0.473 55 H N 2.509 121.536 119.070 -0.072 0.000 2.517 55 H HA 0.420 4.966 4.556 -0.016 0.000 0.317 55 H C 0.181 175.446 175.328 -0.105 0.000 1.080 55 H CA -0.369 55.635 56.048 -0.073 0.000 1.301 55 H CB 1.309 31.034 29.762 -0.061 0.000 1.425 55 H HN 0.339 nan 8.280 nan 0.000 0.471 56 I N 2.037 122.609 120.570 0.004 0.000 2.377 56 I HA 0.355 4.516 4.170 -0.016 0.000 0.293 56 I C 0.443 176.526 176.117 -0.057 0.000 0.987 56 I CA -0.989 60.261 61.300 -0.082 0.000 1.185 56 I CB 1.665 39.601 38.000 -0.106 0.000 1.341 56 I HN 0.510 nan 8.210 nan 0.000 0.455 57 A N 7.605 130.372 122.820 -0.088 0.000 2.328 57 A HA 0.664 4.974 4.320 -0.016 0.000 0.284 57 A C -0.355 177.205 177.584 -0.040 0.000 1.160 57 A CA -0.336 51.668 52.037 -0.055 0.000 0.818 57 A CB 0.163 19.127 19.000 -0.060 0.000 1.087 57 A HN 0.672 nan 8.150 nan 0.000 0.504 58 I N 3.847 124.416 120.570 -0.003 0.000 2.321 58 I HA 0.270 4.430 4.170 -0.016 0.000 0.291 58 I C -2.222 173.935 176.117 0.067 0.000 0.998 58 I CA -2.106 59.211 61.300 0.029 0.000 1.227 58 I CB 1.657 39.681 38.000 0.040 0.000 1.368 58 I HN 0.396 nan 8.210 nan 0.000 0.466 59 P HA 0.053 nan 4.420 nan 0.000 0.264 59 P C -0.601 176.864 177.300 0.274 0.000 1.193 59 P CA -0.048 63.159 63.100 0.178 0.000 0.763 59 P CB 0.626 32.450 31.700 0.206 0.000 0.810 60 A N 3.255 126.184 122.820 0.181 0.000 2.310 60 A HA 0.242 4.553 4.320 -0.016 0.000 0.299 60 A C 0.019 177.579 177.584 -0.041 0.000 1.147 60 A CA -0.479 51.622 52.037 0.107 0.000 0.818 60 A CB -0.046 18.962 19.000 0.014 0.000 1.096 60 A HN 0.661 nan 8.150 nan 0.000 0.495 61 H N 2.597 121.408 119.070 -0.430 0.000 3.091 61 H HA 0.051 4.598 4.556 -0.015 0.000 0.289 61 H C 0.457 175.495 175.328 -0.484 0.000 0.995 61 H CA 0.369 55.803 56.048 -1.023 0.000 1.461 61 H CB 0.204 29.423 29.762 -0.905 0.000 1.510 61 H HN 0.697 nan 8.280 nan 0.000 0.546 62 R N 3.412 123.424 120.500 -0.812 0.000 2.537 62 R HA 0.111 4.442 4.340 -0.016 0.000 0.280 62 R C 0.193 176.146 176.300 -0.579 0.000 1.058 62 R CA 0.051 55.850 56.100 -0.502 0.000 1.057 62 R CB 0.369 30.491 30.300 -0.296 0.000 0.973 62 R HN 0.810 nan 8.270 nan 0.000 0.438 63 G N 3.896 112.527 108.800 -0.282 0.000 2.353 63 G HA2 0.054 4.004 3.960 -0.016 0.000 0.239 63 G HA3 0.054 4.004 3.960 -0.016 0.000 0.239 63 G C -0.377 174.463 174.900 -0.101 0.000 1.295 63 G CA -0.545 44.460 45.100 -0.159 0.000 0.884 63 G HN 0.586 nan 8.290 nan 0.000 0.537 64 L N 2.849 124.052 121.223 -0.033 0.000 2.499 64 L HA 0.334 4.665 4.340 -0.016 0.000 0.273 64 L C 0.193 177.086 176.870 0.038 0.000 1.195 64 L CA 0.152 54.997 54.840 0.008 0.000 0.882 64 L CB 0.319 42.408 42.059 0.051 0.000 1.133 64 L HN 0.394 nan 8.230 nan 0.000 0.483 65 I N 4.892 125.481 120.570 0.033 0.000 2.336 65 I HA 0.383 4.543 4.170 -0.016 0.000 0.292 65 I C 0.400 176.538 176.117 0.035 0.000 0.991 65 I CA -0.324 60.999 61.300 0.038 0.000 1.227 65 I CB 1.435 39.465 38.000 0.051 0.000 1.366 65 I HN 0.796 nan 8.210 nan 0.000 0.466 66 T N 0.817 115.385 114.554 0.023 0.000 2.910 66 T HA 0.442 4.783 4.350 -0.016 0.000 0.287 66 T C -0.422 174.285 174.700 0.011 0.000 1.050 66 T CA -0.942 61.171 62.100 0.022 0.000 1.011 66 T CB 1.973 70.854 68.868 0.022 0.000 1.195 66 T HN 0.566 nan 8.240 nan 0.000 0.540 67 D N -0.221 120.188 120.400 0.014 0.000 2.447 67 D HA 0.123 4.753 4.640 -0.016 0.000 0.265 67 D C 1.481 177.781 176.300 0.001 0.000 1.250 67 D CA -0.818 53.187 54.000 0.008 0.000 1.046 67 D CB 0.560 41.370 40.800 0.016 0.000 1.095 67 D HN 0.826 nan 8.370 nan 0.000 0.555 68 R N -0.649 119.849 120.500 -0.002 0.000 2.241 68 R HA -0.034 4.297 4.340 -0.016 0.000 0.224 68 R C 0.389 176.690 176.300 0.002 0.000 1.101 68 R CA 0.862 56.958 56.100 -0.006 0.000 0.995 68 R CB -0.510 29.787 30.300 -0.005 0.000 0.870 68 R HN 0.222 nan 8.270 nan 0.000 0.463 69 N N 0.063 118.767 118.700 0.006 0.000 2.230 69 N HA 0.101 4.831 4.740 -0.016 0.000 0.202 69 N C 0.557 176.073 175.510 0.010 0.000 1.119 69 N CA 0.832 53.887 53.050 0.009 0.000 0.851 69 N CB 1.434 39.927 38.487 0.009 0.000 0.990 69 N HN 0.548 nan 8.380 nan 0.000 0.497 70 G N 0.568 109.375 108.800 0.011 0.000 2.175 70 G HA2 -0.229 3.722 3.960 -0.016 0.000 0.244 70 G HA3 -0.229 3.722 3.960 -0.016 0.000 0.244 70 G C -0.181 174.728 174.900 0.015 0.000 0.982 70 G CA -0.282 44.826 45.100 0.014 0.000 0.641 70 G HN 0.209 nan 8.290 nan 0.000 0.527 71 E N 1.760 121.968 120.200 0.013 0.000 2.360 71 E HA 0.303 4.643 4.350 -0.016 0.000 0.269 71 E C -2.173 174.440 176.600 0.020 0.000 1.022 71 E CA -1.648 54.760 56.400 0.014 0.000 0.887 71 E CB 1.049 30.755 29.700 0.011 0.000 0.990 71 E HN 0.308 nan 8.360 nan 0.000 0.426 72 P HA 0.107 nan 4.420 nan 0.000 0.276 72 P C 0.177 177.503 177.300 0.043 0.000 1.243 72 P CA 0.130 63.248 63.100 0.030 0.000 0.768 72 P CB 0.789 32.504 31.700 0.025 0.000 0.856 73 L N 1.974 123.232 121.223 0.058 0.000 2.653 73 L HA 0.410 4.740 4.340 -0.016 0.000 0.230 73 L C 0.956 177.920 176.870 0.157 0.000 1.055 73 L CA 0.279 55.180 54.840 0.102 0.000 0.880 73 L CB 0.248 42.364 42.059 0.095 0.000 1.195 73 L HN 0.342 nan 8.230 nan 0.000 0.492 74 A N 0.547 123.415 122.820 0.080 0.000 2.402 74 A HA 0.674 4.984 4.320 -0.016 0.000 0.291 74 A C -1.196 176.345 177.584 -0.072 0.000 1.051 74 A CA -0.292 51.727 52.037 -0.031 0.000 0.716 74 A CB 1.551 20.612 19.000 0.103 0.000 1.223 74 A HN -0.140 nan 8.150 nan 0.000 0.425 75 V N 1.946 121.786 119.914 -0.123 0.000 2.483 75 V HA 0.416 4.527 4.120 -0.016 0.000 0.297 75 V C 0.223 176.303 176.094 -0.024 0.000 1.027 75 V CA -0.573 61.709 62.300 -0.030 0.000 0.855 75 V CB 1.956 33.802 31.823 0.039 0.000 0.995 75 V HN 0.844 nan 8.190 nan 0.000 0.424 76 S N 3.374 119.045 115.700 -0.048 0.000 2.422 76 S HA 0.388 4.849 4.470 -0.016 0.000 0.283 76 S C 0.366 175.108 174.600 0.236 0.000 1.163 76 S CA -0.204 57.988 58.200 -0.014 0.000 1.054 76 S CB 0.617 63.596 63.200 -0.368 0.000 0.967 76 S HN 0.953 nan 8.310 nan 0.000 0.499 77 T N 2.388 117.139 114.554 0.327 0.000 2.797 77 T HA 0.517 4.858 4.350 -0.016 0.000 0.279 77 T C -3.155 171.774 174.700 0.382 0.000 0.991 77 T CA -2.892 59.420 62.100 0.352 0.000 0.979 77 T CB 1.088 70.112 68.868 0.260 0.000 0.943 77 T HN 0.092 nan 8.240 nan 0.000 0.444 78 P HA 0.232 nan 4.420 nan 0.000 0.263 78 P C -0.362 176.975 177.300 0.062 0.000 1.195 78 P CA -0.223 62.941 63.100 0.107 0.000 0.762 78 P CB 0.396 32.146 31.700 0.083 0.000 0.799 79 V N 0.780 120.693 119.914 -0.001 0.000 3.074 79 V HA 0.688 4.798 4.120 -0.016 0.000 0.314 79 V C -0.285 175.809 176.094 0.000 0.000 1.117 79 V CA -0.692 61.630 62.300 0.036 0.000 1.014 79 V CB 2.055 33.930 31.823 0.088 0.000 1.057 79 V HN 0.293 nan 8.190 nan 0.000 0.438 80 T N 2.647 117.219 114.554 0.030 0.000 2.749 80 T HA 0.610 4.951 4.350 -0.016 0.000 0.287 80 T C 0.107 174.852 174.700 0.075 0.000 0.970 80 T CA 0.127 62.253 62.100 0.044 0.000 0.980 80 T CB 0.772 69.662 68.868 0.037 0.000 0.924 80 T HN 1.245 nan 8.240 nan 0.000 0.456 81 T N 2.492 117.119 114.554 0.122 0.000 2.823 81 T HA 0.666 5.007 4.350 -0.016 0.000 0.279 81 T C -0.335 174.510 174.700 0.240 0.000 0.998 81 T CA -0.973 61.231 62.100 0.173 0.000 0.994 81 T CB 0.480 69.465 68.868 0.195 0.000 0.960 81 T HN 0.378 nan 8.240 nan 0.000 0.448 82 L N 5.033 126.368 121.223 0.188 0.000 2.292 82 L HA 0.605 4.936 4.340 -0.016 0.000 0.284 82 L C 0.162 177.160 176.870 0.212 0.000 1.065 82 L CA -1.040 53.877 54.840 0.128 0.000 0.806 82 L CB 0.643 42.721 42.059 0.031 0.000 1.175 82 L HN 0.705 nan 8.230 nan 0.000 0.431 83 W N 2.542 123.827 121.300 -0.024 0.000 2.902 83 W HA 0.886 5.537 4.660 -0.016 0.000 0.346 83 W C -1.433 174.964 176.519 -0.204 0.000 1.139 83 W CA -1.316 55.870 57.345 -0.265 0.000 1.139 83 W CB 1.702 30.752 29.460 -0.684 0.000 1.439 83 W HN 0.524 nan 8.180 nan 0.000 0.558 84 A N 1.972 124.732 122.820 -0.099 0.000 2.475 84 A HA 0.413 4.724 4.320 -0.016 0.000 0.301 84 A C -1.372 176.260 177.584 0.080 0.000 1.059 84 A CA -0.833 51.116 52.037 -0.146 0.000 0.710 84 A CB 1.782 20.698 19.000 -0.141 0.000 1.288 84 A HN 0.573 nan 8.150 nan 0.000 0.408 85 N N 1.987 120.763 118.700 0.128 0.000 2.500 85 N HA 0.370 5.101 4.740 -0.016 0.000 0.236 85 N C -2.146 173.425 175.510 0.103 0.000 1.022 85 N CA -2.260 50.922 53.050 0.220 0.000 0.935 85 N CB 1.272 39.940 38.487 0.301 0.000 1.147 85 N HN 0.137 nan 8.380 nan 0.000 0.512 86 P HA -0.141 nan 4.420 nan 0.000 0.216 86 P C 0.686 178.032 177.300 0.077 0.000 1.150 86 P CA 1.559 64.671 63.100 0.021 0.000 0.837 86 P CB 0.324 32.020 31.700 -0.008 0.000 0.786 87 K N -0.248 120.205 120.400 0.087 0.000 2.097 87 K HA -0.165 4.146 4.320 -0.016 0.000 0.206 87 K C 2.037 178.696 176.600 0.100 0.000 1.049 87 K CA 1.311 57.651 56.287 0.089 0.000 0.933 87 K CB -0.309 32.237 32.500 0.078 0.000 0.717 87 K HN 0.298 nan 8.250 nan 0.000 0.442 88 E N 0.952 121.217 120.200 0.108 0.000 2.046 88 E HA -0.098 4.243 4.350 -0.016 0.000 0.190 88 E C 2.109 178.783 176.600 0.123 0.000 0.982 88 E CA 0.608 57.070 56.400 0.103 0.000 0.800 88 E CB -0.035 29.731 29.700 0.110 0.000 0.756 88 E HN 0.193 nan 8.360 nan 0.000 0.449 89 L N 0.671 121.980 121.223 0.143 0.000 2.081 89 L HA -0.227 4.103 4.340 -0.016 0.000 0.212 89 L C 2.441 179.602 176.870 0.484 0.000 1.080 89 L CA 0.803 55.811 54.840 0.280 0.000 0.754 89 L CB -0.264 41.872 42.059 0.129 0.000 0.893 89 L HN 0.298 nan 8.230 nan 0.000 0.433 90 M N -0.759 119.050 119.600 0.349 0.000 2.446 90 M HA -0.115 4.356 4.480 -0.016 0.000 0.263 90 M C 2.135 178.498 176.300 0.105 0.000 1.066 90 M CA 1.707 57.187 55.300 0.301 0.000 1.087 90 M CB -1.278 31.442 32.600 0.200 0.000 1.406 90 M HN 0.410 nan 8.290 nan 0.000 0.459 91 T N -3.103 111.507 114.554 0.093 0.000 3.107 91 T HA 0.398 4.738 4.350 -0.016 0.000 0.249 91 T C 0.907 175.600 174.700 -0.011 0.000 1.096 91 T CA 0.491 62.606 62.100 0.024 0.000 1.012 91 T CB 0.040 68.928 68.868 0.033 0.000 0.977 91 T HN 0.282 nan 8.240 nan 0.000 0.527 92 A N 0.482 123.307 122.820 0.008 0.000 2.806 92 A HA 0.491 4.802 4.320 -0.016 0.000 0.266 92 A C 1.392 178.853 177.584 -0.205 0.000 0.926 92 A CA -0.623 51.397 52.037 -0.029 0.000 1.068 92 A CB 0.025 19.063 19.000 0.064 0.000 1.189 92 A HN 0.323 nan 8.150 nan 0.000 0.481 93 K N 1.058 121.112 120.400 -0.576 0.000 2.160 93 K HA -0.209 4.102 4.320 -0.016 0.000 0.206 93 K C 1.819 177.993 176.600 -0.711 0.000 1.047 93 K CA 1.661 57.135 56.287 -1.355 0.000 0.930 93 K CB 0.088 31.895 32.500 -1.155 0.000 0.720 93 K HN 0.769 nan 8.250 nan 0.000 0.450 94 E N 1.029 121.026 120.200 -0.337 0.000 2.333 94 E HA -0.200 4.141 4.350 -0.016 0.000 0.198 94 E C 1.330 177.892 176.600 -0.063 0.000 1.007 94 E CA 1.011 57.313 56.400 -0.163 0.000 0.845 94 E CB -0.002 29.632 29.700 -0.110 0.000 0.766 94 E HN 0.188 nan 8.360 nan 0.000 0.507 95 R N -0.240 120.252 120.500 -0.014 0.000 2.246 95 R HA 0.015 4.346 4.340 -0.016 0.000 0.199 95 R C 1.767 178.216 176.300 0.248 0.000 0.984 95 R CA 0.450 56.611 56.100 0.101 0.000 1.015 95 R CB -0.626 29.742 30.300 0.113 0.000 0.930 95 R HN 0.273 nan 8.270 nan 0.000 0.475 96 W N 1.821 123.150 121.300 0.047 0.000 2.335 96 W HA -0.047 4.604 4.660 -0.015 0.000 0.311 96 W C -0.650 175.850 176.519 -0.033 0.000 1.213 96 W CA 0.678 58.087 57.345 0.107 0.000 1.274 96 W CB -2.078 27.533 29.460 0.252 0.000 1.148 96 W HN 0.145 nan 8.180 nan 0.000 0.498 97 P HA -0.206 nan 4.420 nan 0.000 0.216 97 P C 1.684 178.975 177.300 -0.014 0.000 1.153 97 P CA 2.266 65.412 63.100 0.077 0.000 0.848 97 P CB -0.231 31.507 31.700 0.063 0.000 0.787 98 Q N -0.501 119.299 119.800 -0.000 0.000 2.050 98 Q HA -0.159 4.172 4.340 -0.016 0.000 0.202 98 Q C 2.121 178.069 176.000 -0.086 0.000 0.980 98 Q CA 1.214 56.996 55.803 -0.034 0.000 0.840 98 Q CB -0.738 27.991 28.738 -0.015 0.000 0.898 98 Q HN 0.153 nan 8.270 nan 0.000 0.424 99 L N 0.065 121.232 121.223 -0.094 0.000 2.012 99 L HA -0.216 4.115 4.340 -0.016 0.000 0.210 99 L C 2.334 178.966 176.870 -0.397 0.000 1.073 99 L CA 1.563 56.284 54.840 -0.198 0.000 0.748 99 L CB -0.549 41.419 42.059 -0.152 0.000 0.891 99 L HN 0.400 nan 8.230 nan 0.000 0.431 100 A N -0.580 121.907 122.820 -0.554 0.000 1.930 100 A HA -0.139 4.171 4.320 -0.016 0.000 0.217 100 A C 2.410 179.821 177.584 -0.289 0.000 1.175 100 A CA 1.538 53.193 52.037 -0.637 0.000 0.627 100 A CB -0.645 18.027 19.000 -0.546 0.000 0.815 100 A HN 0.553 nan 8.150 nan 0.000 0.443 101 A N 0.010 122.722 122.820 -0.181 0.000 1.877 101 A HA 0.163 4.474 4.320 -0.016 0.000 0.216 101 A C 2.508 180.029 177.584 -0.104 0.000 1.186 101 A CA 2.030 54.003 52.037 -0.107 0.000 0.620 101 A CB -1.063 17.894 19.000 -0.070 0.000 0.822 101 A HN 1.077 nan 8.150 nan 0.000 0.443 102 A N -0.362 122.388 122.820 -0.118 0.000 1.978 102 A HA -0.037 4.273 4.320 -0.016 0.000 0.220 102 A C 1.960 179.487 177.584 -0.097 0.000 1.170 102 A CA 1.521 53.500 52.037 -0.095 0.000 0.636 102 A CB -0.547 18.396 19.000 -0.095 0.000 0.810 102 A HN 0.487 nan 8.150 nan 0.000 0.448 103 L N -0.917 120.221 121.223 -0.142 0.000 2.591 103 L HA 0.187 4.518 4.340 -0.016 0.000 0.228 103 L C 1.504 178.325 176.870 -0.080 0.000 1.133 103 L CA 0.305 55.077 54.840 -0.113 0.000 0.880 103 L CB -0.491 41.470 42.059 -0.163 0.000 1.033 103 L HN 0.531 nan 8.230 nan 0.000 0.450 104 G N 1.322 110.072 108.800 -0.083 0.000 2.366 104 G HA2 -0.328 3.623 3.960 -0.016 0.000 0.299 104 G HA3 -0.328 3.623 3.960 -0.016 0.000 0.299 104 G C -0.009 174.865 174.900 -0.043 0.000 1.020 104 G CA 0.466 45.535 45.100 -0.052 0.000 1.026 104 G HN 0.497 nan 8.290 nan 0.000 0.512 105 Q N -0.662 119.095 119.800 -0.071 0.000 2.345 105 Q HA 0.482 4.812 4.340 -0.016 0.000 0.268 105 Q C -0.238 175.754 176.000 -0.014 0.000 1.054 105 Q CA -0.947 54.839 55.803 -0.029 0.000 0.835 105 Q CB 1.279 30.009 28.738 -0.014 0.000 1.339 105 Q HN 0.274 nan 8.270 nan 0.000 0.447 106 D N 0.739 121.158 120.400 0.033 0.000 2.458 106 D HA -0.019 4.612 4.640 -0.016 0.000 0.243 106 D C 0.476 176.831 176.300 0.091 0.000 1.146 106 D CA 0.566 54.596 54.000 0.050 0.000 0.877 106 D CB 1.095 41.928 40.800 0.054 0.000 1.176 106 D HN 0.581 nan 8.370 nan 0.000 0.461 107 T N 2.815 117.419 114.554 0.083 0.000 2.746 107 T HA -0.153 4.188 4.350 -0.016 0.000 0.267 107 T C 1.615 176.430 174.700 0.191 0.000 1.039 107 T CA 0.948 63.130 62.100 0.137 0.000 1.142 107 T CB -0.085 68.847 68.868 0.106 0.000 0.866 107 T HN 0.303 nan 8.240 nan 0.000 0.444 108 K N 1.212 121.691 120.400 0.132 0.000 2.025 108 K HA 0.174 4.484 4.320 -0.016 0.000 0.207 108 K C 2.176 178.845 176.600 0.114 0.000 1.049 108 K CA 0.879 57.237 56.287 0.118 0.000 0.933 108 K CB -0.856 31.692 32.500 0.079 0.000 0.714 108 K HN 0.287 nan 8.250 nan 0.000 0.438 109 L N -0.614 120.671 121.223 0.104 0.000 2.046 109 L HA -0.160 4.171 4.340 -0.016 0.000 0.208 109 L C 2.249 179.172 176.870 0.089 0.000 1.077 109 L CA 1.287 56.177 54.840 0.083 0.000 0.747 109 L CB -0.462 41.643 42.059 0.076 0.000 0.896 109 L HN 0.107 nan 8.230 nan 0.000 0.432 110 F N 0.888 120.828 119.950 -0.017 0.000 2.075 110 F HA -0.250 4.267 4.527 -0.016 0.000 0.297 110 F C 2.548 178.275 175.800 -0.121 0.000 1.113 110 F CA 1.552 59.507 58.000 -0.075 0.000 1.218 110 F CB -0.179 38.779 39.000 -0.070 0.000 0.984 110 F HN -0.006 nan 8.300 nan 0.000 0.472 111 A N 0.182 123.069 122.820 0.111 0.000 1.883 111 A HA -0.249 4.062 4.320 -0.016 0.000 0.217 111 A C 1.989 179.570 177.584 -0.005 0.000 1.186 111 A CA 2.157 54.273 52.037 0.132 0.000 0.624 111 A CB -1.191 18.061 19.000 0.419 0.000 0.822 111 A HN 0.485 nan 8.150 nan 0.000 0.444 112 D N -0.869 119.545 120.400 0.022 0.000 2.116 112 D HA -0.193 4.438 4.640 -0.016 0.000 0.193 112 D C 2.063 178.316 176.300 -0.079 0.000 0.998 112 D CA 1.652 55.653 54.000 0.001 0.000 0.836 112 D CB -0.367 40.443 40.800 0.018 0.000 0.951 112 D HN 0.575 nan 8.370 nan 0.000 0.449 113 R N 0.497 120.905 120.500 -0.155 0.000 2.105 113 R HA -0.090 4.241 4.340 -0.016 0.000 0.239 113 R C 2.374 178.501 176.300 -0.290 0.000 1.135 113 R CA 0.971 56.950 56.100 -0.203 0.000 0.967 113 R CB -0.225 29.938 30.300 -0.228 0.000 0.861 113 R HN 0.188 nan 8.270 nan 0.000 0.442 114 I N 0.673 120.953 120.570 -0.483 0.000 2.233 114 I HA -0.194 3.967 4.170 -0.016 0.000 0.243 114 I C 2.119 178.122 176.117 -0.190 0.000 1.093 114 I CA 1.029 62.023 61.300 -0.510 0.000 1.380 114 I CB -0.377 36.978 38.000 -1.075 0.000 1.067 114 I HN 0.216 nan 8.210 nan 0.000 0.413 115 E N 0.734 120.898 120.200 -0.061 0.000 2.085 115 E HA -0.292 4.049 4.350 -0.016 0.000 0.194 115 E C 2.137 178.742 176.600 0.008 0.000 0.994 115 E CA 1.327 57.761 56.400 0.057 0.000 0.801 115 E CB -0.312 29.447 29.700 0.100 0.000 0.743 115 E HN 0.462 nan 8.360 nan 0.000 0.453 116 Q N 0.370 120.155 119.800 -0.026 0.000 2.308 116 Q HA -0.060 4.271 4.340 -0.016 0.000 0.209 116 Q C 0.876 176.863 176.000 -0.023 0.000 0.985 116 Q CA 0.953 56.743 55.803 -0.022 0.000 0.881 116 Q CB 0.103 28.819 28.738 -0.036 0.000 0.917 116 Q HN 0.183 nan 8.270 nan 0.000 0.443 117 N N -1.757 116.918 118.700 -0.041 0.000 2.291 117 N HA 0.214 4.944 4.740 -0.016 0.000 0.244 117 N C 0.043 175.545 175.510 -0.013 0.000 1.216 117 N CA 0.483 53.514 53.050 -0.032 0.000 0.879 117 N CB 1.001 39.454 38.487 -0.058 0.000 1.167 117 N HN 0.123 nan 8.380 nan 0.000 0.515 118 A N 0.614 123.438 122.820 0.007 0.000 2.070 118 A HA -0.094 4.216 4.320 -0.016 0.000 0.220 118 A C 1.784 179.391 177.584 0.038 0.000 1.159 118 A CA 1.209 53.267 52.037 0.035 0.000 0.656 118 A CB 0.090 19.125 19.000 0.058 0.000 0.800 118 A HN 0.071 nan 8.150 nan 0.000 0.453 119 E N -0.177 120.040 120.200 0.028 0.000 2.481 119 E HA 0.063 4.403 4.350 -0.016 0.000 0.198 119 E C 0.252 176.870 176.600 0.031 0.000 1.027 119 E CA -0.014 56.403 56.400 0.029 0.000 0.900 119 E CB 0.165 29.878 29.700 0.022 0.000 0.993 119 E HN 0.578 nan 8.360 nan 0.000 0.482 120 R N 0.277 120.797 120.500 0.033 0.000 2.546 120 R HA 0.298 4.628 4.340 -0.016 0.000 0.266 120 R C 0.729 177.072 176.300 0.072 0.000 1.086 120 R CA -0.183 55.945 56.100 0.045 0.000 1.160 120 R CB 0.591 30.917 30.300 0.044 0.000 1.138 120 R HN 0.024 nan 8.270 nan 0.000 0.567 121 E N -0.031 120.229 120.200 0.100 0.000 2.562 121 E HA 0.137 4.478 4.350 -0.016 0.000 0.214 121 E C -0.895 175.862 176.600 0.261 0.000 0.979 121 E CA 0.012 56.501 56.400 0.147 0.000 1.002 121 E CB 0.600 30.364 29.700 0.107 0.000 1.048 121 E HN 0.255 nan 8.360 nan 0.000 0.488 122 F N 1.934 121.900 119.950 0.027 0.000 2.623 122 F HA 0.381 4.898 4.527 -0.016 0.000 0.323 122 F C -1.749 174.014 175.800 -0.061 0.000 1.158 122 F CA -1.151 56.846 58.000 -0.005 0.000 1.030 122 F CB 1.071 39.908 39.000 -0.271 0.000 1.280 122 F HN -0.130 nan 8.300 nan 0.000 0.474 123 I N 1.895 122.267 120.570 -0.329 0.000 2.994 123 I HA 0.572 4.732 4.170 -0.016 0.000 0.306 123 I C -1.801 174.036 176.117 -0.467 0.000 1.195 123 I CA -1.148 60.014 61.300 -0.230 0.000 1.001 123 I CB 2.268 40.222 38.000 -0.076 0.000 1.244 123 I HN 0.455 nan 8.210 nan 0.000 0.437 124 Y N 2.968 123.240 120.300 -0.046 0.000 2.304 124 Y HA 0.425 4.966 4.550 -0.015 0.000 0.327 124 Y C 0.875 176.784 175.900 0.014 0.000 1.209 124 Y CA -0.248 57.859 58.100 0.012 0.000 1.299 124 Y CB 1.185 39.714 38.460 0.115 0.000 1.249 124 Y HN 0.476 nan 8.280 nan 0.000 0.519 125 L N 1.613 122.958 121.223 0.204 0.000 2.349 125 L HA 0.234 4.565 4.340 -0.016 0.000 0.200 125 L C -0.508 176.451 176.870 0.148 0.000 1.064 125 L CA 0.194 55.127 54.840 0.156 0.000 0.821 125 L CB 0.149 42.279 42.059 0.119 0.000 1.027 125 L HN 0.425 nan 8.230 nan 0.000 0.476 126 V N -1.558 118.442 119.914 0.144 0.000 2.851 126 V HA 0.493 4.604 4.120 -0.016 0.000 0.307 126 V C -0.980 175.174 176.094 0.099 0.000 1.129 126 V CA -0.953 61.405 62.300 0.097 0.000 0.932 126 V CB 1.888 33.748 31.823 0.062 0.000 1.024 126 V HN 0.145 nan 8.190 nan 0.000 0.426 127 R N 1.785 122.307 120.500 0.036 0.000 2.664 127 R HA 0.744 5.074 4.340 -0.016 0.000 0.286 127 R C 0.884 177.194 176.300 0.017 0.000 0.967 127 R CA -0.376 55.722 56.100 -0.004 0.000 0.933 127 R CB 1.805 32.013 30.300 -0.153 0.000 1.146 127 R HN 1.631 nan 8.270 nan 0.000 0.468 128 G N 1.652 110.473 108.800 0.035 0.000 2.176 128 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.252 128 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.252 128 G C 0.083 175.036 174.900 0.088 0.000 1.024 128 G CA -0.093 45.047 45.100 0.067 0.000 0.755 128 G HN 0.351 nan 8.290 nan 0.000 0.507 129 L N 0.335 121.598 121.223 0.067 0.000 2.479 129 L HA 0.543 4.874 4.340 -0.016 0.000 0.248 129 L C 1.687 178.587 176.870 0.051 0.000 1.205 129 L CA 0.004 54.877 54.840 0.055 0.000 0.817 129 L CB 0.331 42.415 42.059 0.041 0.000 1.162 129 L HN 0.424 nan 8.230 nan 0.000 0.486 130 T N -2.927 111.647 114.554 0.033 0.000 2.904 130 T HA 0.219 4.560 4.350 -0.016 0.000 0.290 130 T C -1.940 172.770 174.700 0.016 0.000 1.018 130 T CA -1.712 60.400 62.100 0.020 0.000 1.075 130 T CB 1.416 70.287 68.868 0.005 0.000 0.986 130 T HN 0.310 nan 8.240 nan 0.000 0.523 131 P HA -0.134 nan 4.420 nan 0.000 0.216 131 P C 1.274 178.576 177.300 0.004 0.000 1.157 131 P CA 1.219 64.325 63.100 0.010 0.000 0.880 131 P CB 0.069 31.774 31.700 0.007 0.000 0.791 132 E N -0.350 119.851 120.200 0.000 0.000 2.038 132 E HA -0.210 4.130 4.350 -0.016 0.000 0.195 132 E C 2.188 178.785 176.600 -0.006 0.000 1.000 132 E CA 1.344 57.741 56.400 -0.004 0.000 0.803 132 E CB -1.019 28.677 29.700 -0.007 0.000 0.750 132 E HN 0.392 nan 8.360 nan 0.000 0.448 133 Q N -0.310 119.488 119.800 -0.003 0.000 2.135 133 Q HA -0.106 4.225 4.340 -0.016 0.000 0.204 133 Q C 2.301 178.297 176.000 -0.007 0.000 0.981 133 Q CA 1.288 57.088 55.803 -0.005 0.000 0.856 133 Q CB -0.362 28.376 28.738 0.000 0.000 0.902 133 Q HN 0.429 nan 8.270 nan 0.000 0.425 134 G N 1.232 110.032 108.800 0.000 0.000 2.421 134 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.216 134 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.216 134 G C 1.034 175.925 174.900 -0.015 0.000 1.171 134 G CA 0.775 45.874 45.100 -0.001 0.000 0.775 134 G HN 0.349 nan 8.290 nan 0.000 0.543 135 E N 0.249 120.442 120.200 -0.012 0.000 2.204 135 E HA 0.016 4.356 4.350 -0.016 0.000 0.194 135 E C 2.676 179.260 176.600 -0.025 0.000 0.989 135 E CA 0.403 56.792 56.400 -0.018 0.000 0.824 135 E CB -0.226 29.468 29.700 -0.011 0.000 0.756 135 E HN 0.393 nan 8.360 nan 0.000 0.477 136 G N 0.974 109.759 108.800 -0.024 0.000 2.422 136 G HA2 -0.233 3.718 3.960 -0.016 0.000 0.218 136 G HA3 -0.233 3.718 3.960 -0.016 0.000 0.218 136 G C 1.700 176.577 174.900 -0.039 0.000 1.146 136 G CA 0.757 45.840 45.100 -0.028 0.000 0.769 136 G HN 0.142 nan 8.290 nan 0.000 0.547 137 V N 1.440 121.327 119.914 -0.044 0.000 2.446 137 V HA -0.024 4.086 4.120 -0.016 0.000 0.244 137 V C 2.726 178.775 176.094 -0.076 0.000 1.039 137 V CA 0.651 62.914 62.300 -0.060 0.000 1.045 137 V CB -0.246 31.539 31.823 -0.063 0.000 0.681 137 V HN 0.237 nan 8.190 nan 0.000 0.459 138 I N 1.323 121.848 120.570 -0.074 0.000 2.286 138 I HA -0.208 3.953 4.170 -0.016 0.000 0.248 138 I C 2.692 178.763 176.117 -0.077 0.000 1.115 138 I CA 1.884 63.129 61.300 -0.092 0.000 1.392 138 I CB -1.663 36.293 38.000 -0.073 0.000 1.065 138 I HN 0.320 nan 8.210 nan 0.000 0.418 139 A N 0.854 123.641 122.820 -0.055 0.000 2.131 139 A HA -0.136 4.174 4.320 -0.016 0.000 0.220 139 A C 2.347 179.902 177.584 -0.048 0.000 1.158 139 A CA 1.035 53.045 52.037 -0.045 0.000 0.665 139 A CB -0.767 18.212 19.000 -0.034 0.000 0.795 139 A HN 0.455 nan 8.150 nan 0.000 0.460 140 L N -1.527 119.662 121.223 -0.057 0.000 2.275 140 L HA -0.086 4.244 4.340 -0.016 0.000 0.215 140 L C 0.603 177.438 176.870 -0.060 0.000 1.119 140 L CA 0.883 55.690 54.840 -0.054 0.000 0.790 140 L CB -0.418 41.607 42.059 -0.057 0.000 0.919 140 L HN 0.360 nan 8.230 nan 0.000 0.443 141 K N 0.073 120.425 120.400 -0.080 0.000 3.148 141 K HA -0.155 4.155 4.320 -0.016 0.000 0.267 141 K C -0.425 176.117 176.600 -0.096 0.000 0.996 141 K CA -0.074 56.157 56.287 -0.093 0.000 0.737 141 K CB -1.903 30.558 32.500 -0.065 0.000 1.308 141 K HN 0.092 nan 8.250 nan 0.000 0.470 142 V N 1.341 121.189 119.914 -0.110 0.000 2.521 142 V HA 0.071 4.181 4.120 -0.016 0.000 0.286 142 V C -1.622 174.384 176.094 -0.146 0.000 1.034 142 V CA -1.192 61.057 62.300 -0.085 0.000 1.045 142 V CB 0.581 32.373 31.823 -0.050 0.000 0.974 142 V HN 0.139 nan 8.190 nan 0.000 0.480 143 P HA 0.183 nan 4.420 nan 0.000 0.261 143 P C 0.932 178.147 177.300 -0.142 0.000 1.183 143 P CA 1.372 64.410 63.100 -0.103 0.000 0.761 143 P CB 0.447 32.137 31.700 -0.017 0.000 0.785 144 G N 1.412 110.044 108.800 -0.281 0.000 2.176 144 G HA2 -0.196 3.754 3.960 -0.016 0.000 0.253 144 G HA3 -0.196 3.754 3.960 -0.016 0.000 0.253 144 G C -0.000 174.585 174.900 -0.524 0.000 0.979 144 G CA -0.185 44.781 45.100 -0.223 0.000 0.641 144 G HN 0.524 nan 8.290 nan 0.000 0.530 145 V N 0.837 120.299 119.914 -0.753 0.000 2.394 145 V HA 0.737 4.848 4.120 -0.016 0.000 0.282 145 V C -0.137 175.300 176.094 -1.096 0.000 1.031 145 V CA -0.636 61.248 62.300 -0.693 0.000 0.881 145 V CB 0.955 32.559 31.823 -0.364 0.000 0.982 145 V HN 0.262 nan 8.190 nan 0.000 0.451 146 Y N 1.562 121.403 120.300 -0.766 0.000 2.576 146 Y HA 0.648 5.189 4.550 -0.016 0.000 0.346 146 Y C 0.364 175.969 175.900 -0.491 0.000 1.018 146 Y CA -0.864 56.795 58.100 -0.735 0.000 1.050 146 Y CB 2.330 40.086 38.460 -1.173 0.000 1.280 146 Y HN 0.623 nan 8.280 nan 0.000 0.474 147 S N 2.890 118.584 115.700 -0.010 0.000 2.503 147 S HA 0.912 5.373 4.470 -0.016 0.000 0.301 147 S C -0.875 173.869 174.600 0.240 0.000 1.087 147 S CA -0.670 57.587 58.200 0.096 0.000 1.042 147 S CB 1.250 64.478 63.200 0.047 0.000 1.043 147 S HN 0.689 nan 8.310 nan 0.000 0.489 148 I N -1.657 119.080 120.570 0.278 0.000 2.865 148 I HA 0.698 4.859 4.170 -0.016 0.000 0.302 148 I C -0.817 175.369 176.117 0.116 0.000 1.140 148 I CA -1.105 60.341 61.300 0.243 0.000 1.021 148 I CB 2.055 40.257 38.000 0.337 0.000 1.233 148 I HN 0.650 nan 8.210 nan 0.000 0.427 149 E N 3.393 123.610 120.200 0.028 0.000 2.223 149 E HA 0.300 4.641 4.350 -0.016 0.000 0.282 149 E C -0.828 175.646 176.600 -0.210 0.000 1.046 149 E CA -0.010 56.330 56.400 -0.100 0.000 0.857 149 E CB 0.927 30.540 29.700 -0.144 0.000 1.055 149 E HN 0.648 nan 8.360 nan 0.000 0.409 150 E N 2.679 122.736 120.200 -0.240 0.000 2.396 150 E HA 0.445 4.786 4.350 -0.016 0.000 0.251 150 E C -0.990 175.292 176.600 -0.529 0.000 0.949 150 E CA -1.013 55.213 56.400 -0.291 0.000 0.834 150 E CB 0.973 30.646 29.700 -0.044 0.000 1.309 150 E HN 0.364 nan 8.360 nan 0.000 0.405 151 F N 0.631 120.623 119.950 0.070 0.000 2.518 151 F HA 0.419 4.936 4.527 -0.016 0.000 0.323 151 F C 0.013 175.823 175.800 0.016 0.000 1.129 151 F CA -0.751 57.288 58.000 0.065 0.000 0.920 151 F CB 1.617 40.651 39.000 0.057 0.000 1.160 151 F HN 0.117 nan 8.300 nan 0.000 0.440 152 R N 1.958 122.572 120.500 0.190 0.000 2.514 152 R HA 0.662 4.992 4.340 -0.016 0.000 0.301 152 R C -0.727 175.495 176.300 -0.130 0.000 0.962 152 R CA -0.864 55.233 56.100 -0.004 0.000 0.882 152 R CB 1.015 31.303 30.300 -0.020 0.000 1.143 152 R HN 0.558 nan 8.270 nan 0.000 0.452 153 R N 3.170 123.483 120.500 -0.311 0.000 2.389 153 R HA 0.309 4.640 4.340 -0.016 0.000 0.295 153 R C -1.281 174.504 176.300 -0.859 0.000 1.075 153 R CA 0.426 56.264 56.100 -0.435 0.000 1.005 153 R CB 0.271 30.376 30.300 -0.325 0.000 0.987 153 R HN 0.468 nan 8.270 nan 0.000 0.452 154 F N 3.060 122.744 119.950 -0.444 0.000 2.577 154 F HA 0.390 4.907 4.527 -0.016 0.000 0.318 154 F C -0.664 174.778 175.800 -0.597 0.000 1.065 154 F CA -0.607 57.154 58.000 -0.397 0.000 0.929 154 F CB 1.573 40.488 39.000 -0.141 0.000 1.237 154 F HN 0.396 nan 8.300 nan 0.000 0.468 155 Y N 2.212 122.630 120.300 0.198 0.000 2.686 155 Y HA 0.312 4.854 4.550 -0.014 0.000 0.331 155 Y C -2.010 173.934 175.900 0.074 0.000 0.996 155 Y CA -1.905 56.253 58.100 0.097 0.000 1.293 155 Y CB 0.740 39.229 38.460 0.049 0.000 1.092 155 Y HN 0.352 nan 8.280 nan 0.000 0.524 156 P HA -0.188 nan 4.420 nan 0.000 0.218 156 P C 1.227 178.562 177.300 0.057 0.000 1.148 156 P CA 1.594 64.740 63.100 0.077 0.000 0.822 156 P CB 0.445 32.172 31.700 0.044 0.000 0.784 157 A N -1.432 121.426 122.820 0.064 0.000 2.218 157 A HA 0.452 4.762 4.320 -0.016 0.000 0.209 157 A C 1.530 179.107 177.584 -0.011 0.000 1.168 157 A CA 0.809 52.857 52.037 0.018 0.000 0.804 157 A CB -1.215 17.795 19.000 0.016 0.000 0.834 157 A HN 0.267 nan 8.150 nan 0.000 0.482 158 G N 1.134 109.948 108.800 0.023 0.000 2.634 158 G HA2 -0.472 3.478 3.960 -0.016 0.000 0.309 158 G HA3 -0.472 3.478 3.960 -0.016 0.000 0.309 158 G C 0.921 175.728 174.900 -0.154 0.000 1.265 158 G CA 0.999 46.080 45.100 -0.032 0.000 0.998 158 G HN 0.967 nan 8.290 nan 0.000 0.551 159 E N 0.145 120.236 120.200 -0.181 0.000 2.265 159 E HA 0.015 4.355 4.350 -0.016 0.000 0.196 159 E C 2.426 178.860 176.600 -0.277 0.000 0.996 159 E CA 1.641 57.882 56.400 -0.266 0.000 0.832 159 E CB -0.230 29.391 29.700 -0.132 0.000 0.756 159 E HN 0.442 nan 8.360 nan 0.000 0.491 160 V N 0.998 120.732 119.914 -0.300 0.000 2.469 160 V HA -0.162 3.949 4.120 -0.016 0.000 0.251 160 V C 1.905 177.905 176.094 -0.155 0.000 1.064 160 V CA 1.617 63.687 62.300 -0.384 0.000 1.066 160 V CB 0.250 31.933 31.823 -0.234 0.000 0.667 160 V HN 0.361 nan 8.190 nan 0.000 0.461 161 V N -0.868 118.979 119.914 -0.113 0.000 3.017 161 V HA 0.546 4.657 4.120 -0.016 0.000 0.354 161 V C 1.668 177.708 176.094 -0.091 0.000 1.389 161 V CA 0.520 62.796 62.300 -0.039 0.000 1.163 161 V CB 0.379 32.206 31.823 0.007 0.000 1.178 161 V HN 0.357 nan 8.190 nan 0.000 0.547 162 A N 0.171 122.835 122.820 -0.261 0.000 1.859 162 A HA -0.271 4.039 4.320 -0.016 0.000 0.217 162 A C 1.724 179.152 177.584 -0.260 0.000 1.198 162 A CA 2.707 54.437 52.037 -0.512 0.000 0.629 162 A CB -0.787 17.489 19.000 -1.207 0.000 0.830 162 A HN 0.782 nan 8.150 nan 0.000 0.446 163 H N -0.711 118.362 119.070 0.006 0.000 2.357 163 H HA 0.155 4.702 4.556 -0.016 0.000 0.301 163 H C 2.429 177.839 175.328 0.136 0.000 1.082 163 H CA 1.359 57.497 56.048 0.149 0.000 1.342 163 H CB -0.134 29.721 29.762 0.155 0.000 1.389 163 H HN 0.543 nan 8.280 nan 0.000 0.511 164 A N 0.433 123.385 122.820 0.221 0.000 1.873 164 A HA -0.103 4.208 4.320 -0.016 0.000 0.215 164 A C 2.499 180.193 177.584 0.183 0.000 1.186 164 A CA 1.580 53.745 52.037 0.214 0.000 0.616 164 A CB -0.695 18.396 19.000 0.152 0.000 0.823 164 A HN 0.236 nan 8.150 nan 0.000 0.442 165 V N -0.919 119.055 119.914 0.101 0.000 2.407 165 V HA 0.222 4.332 4.120 -0.016 0.000 0.245 165 V C 1.876 177.993 176.094 0.039 0.000 1.041 165 V CA 1.203 63.550 62.300 0.079 0.000 1.040 165 V CB -1.646 30.227 31.823 0.085 0.000 0.671 165 V HN 1.157 nan 8.190 nan 0.000 0.455 166 G N 0.682 109.489 108.800 0.011 0.000 2.562 166 G HA2 -0.207 3.744 3.960 -0.016 0.000 0.250 166 G HA3 -0.207 3.744 3.960 -0.016 0.000 0.250 166 G C -0.385 174.483 174.900 -0.053 0.000 1.269 166 G CA 0.262 45.349 45.100 -0.022 0.000 0.919 166 G HN 1.197 nan 8.290 nan 0.000 0.574 167 F N -2.902 116.981 119.950 -0.112 0.000 2.817 167 F HA 0.781 5.298 4.527 -0.018 0.000 0.317 167 F C 0.067 175.902 175.800 0.058 0.000 1.168 167 F CA -0.339 57.609 58.000 -0.088 0.000 0.911 167 F CB 0.807 39.673 39.000 -0.223 0.000 1.337 167 F HN 1.189 nan 8.300 nan 0.000 0.464 168 T N -1.712 113.080 114.554 0.397 0.000 2.948 168 T HA 0.539 4.880 4.350 -0.016 0.000 0.285 168 T C -0.734 174.112 174.700 0.244 0.000 1.019 168 T CA -0.687 61.540 62.100 0.211 0.000 1.013 168 T CB 1.714 70.678 68.868 0.160 0.000 1.117 168 T HN 0.558 nan 8.240 nan 0.000 0.533 169 D N 0.162 120.636 120.400 0.123 0.000 2.414 169 D HA 0.113 4.744 4.640 -0.016 0.000 0.259 169 D C 1.546 177.883 176.300 0.063 0.000 1.269 169 D CA -0.799 53.261 54.000 0.101 0.000 1.028 169 D CB 0.770 41.600 40.800 0.050 0.000 1.093 169 D HN 0.340 nan 8.370 nan 0.000 0.545 170 V N 0.416 120.349 119.914 0.032 0.000 3.078 170 V HA -0.140 3.970 4.120 -0.016 0.000 0.265 170 V C 0.442 176.518 176.094 -0.031 0.000 1.122 170 V CA 1.618 63.909 62.300 -0.015 0.000 1.141 170 V CB -0.250 31.555 31.823 -0.030 0.000 0.735 170 V HN 0.326 nan 8.190 nan 0.000 0.498 171 D N -0.243 120.157 120.400 -0.000 0.000 2.363 171 D HA 0.112 4.742 4.640 -0.016 0.000 0.214 171 D C 0.857 177.167 176.300 0.017 0.000 1.093 171 D CA 0.573 54.576 54.000 0.005 0.000 0.837 171 D CB 0.198 41.007 40.800 0.015 0.000 0.948 171 D HN 0.526 nan 8.370 nan 0.000 0.507 172 D N 0.667 121.080 120.400 0.021 0.000 3.041 172 D HA -0.180 4.451 4.640 -0.016 0.000 0.220 172 D C -0.375 175.940 176.300 0.025 0.000 1.157 172 D CA 0.559 54.577 54.000 0.029 0.000 0.876 172 D CB -0.679 40.144 40.800 0.038 0.000 1.107 172 D HN 0.229 nan 8.370 nan 0.000 0.422 173 R N -0.221 120.293 120.500 0.023 0.000 2.346 173 R HA 0.604 4.935 4.340 -0.016 0.000 0.311 173 R C 0.939 177.243 176.300 0.007 0.000 0.983 173 R CA -0.146 55.960 56.100 0.010 0.000 0.880 173 R CB 1.388 31.687 30.300 -0.001 0.000 1.100 173 R HN 0.119 nan 8.270 nan 0.000 0.453 174 G N 1.285 110.082 108.800 -0.005 0.000 2.353 174 G HA2 -0.032 3.918 3.960 -0.016 0.000 0.239 174 G HA3 -0.032 3.918 3.960 -0.016 0.000 0.239 174 G C 0.621 175.463 174.900 -0.096 0.000 1.295 174 G CA -0.217 44.862 45.100 -0.036 0.000 0.884 174 G HN 0.806 nan 8.290 nan 0.000 0.537 175 R N -0.289 120.094 120.500 -0.193 0.000 2.582 175 R HA 0.290 4.621 4.340 -0.016 0.000 0.285 175 R C -0.122 175.947 176.300 -0.385 0.000 0.940 175 R CA -0.151 55.799 56.100 -0.251 0.000 1.072 175 R CB 0.692 30.873 30.300 -0.197 0.000 1.527 175 R HN 0.417 nan 8.270 nan 0.000 0.538 176 E N 0.752 120.635 120.200 -0.529 0.000 2.393 176 E HA 0.417 4.758 4.350 -0.016 0.000 0.273 176 E C 0.075 176.528 176.600 -0.244 0.000 0.918 176 E CA -0.297 55.853 56.400 -0.416 0.000 0.773 176 E CB 1.838 31.171 29.700 -0.613 0.000 1.275 176 E HN 0.240 nan 8.360 nan 0.000 0.451 177 G N 1.841 110.578 108.800 -0.105 0.000 2.581 177 G HA2 -0.318 3.633 3.960 -0.016 0.000 0.291 177 G HA3 -0.318 3.633 3.960 -0.016 0.000 0.291 177 G C 1.006 175.753 174.900 -0.254 0.000 1.277 177 G CA 0.163 45.245 45.100 -0.031 0.000 0.959 177 G HN 0.492 nan 8.290 nan 0.000 0.554 178 I N 1.488 121.987 120.570 -0.119 0.000 2.264 178 I HA -0.117 4.044 4.170 -0.016 0.000 0.248 178 I C 2.756 178.861 176.117 -0.020 0.000 1.111 178 I CA 2.253 63.493 61.300 -0.099 0.000 1.382 178 I CB -1.173 36.845 38.000 0.031 0.000 1.060 178 I HN 0.565 nan 8.210 nan 0.000 0.418 179 E N 0.461 120.655 120.200 -0.010 0.000 2.085 179 E HA -0.252 4.089 4.350 -0.016 0.000 0.194 179 E C 2.170 178.754 176.600 -0.028 0.000 0.994 179 E CA 1.178 57.593 56.400 0.026 0.000 0.801 179 E CB -0.368 29.359 29.700 0.044 0.000 0.743 179 E HN 0.377 nan 8.360 nan 0.000 0.453 180 L N 0.797 121.949 121.223 -0.119 0.000 2.007 180 L HA -0.031 4.299 4.340 -0.016 0.000 0.205 180 L C 2.290 179.051 176.870 -0.182 0.000 1.073 180 L CA 2.259 57.009 54.840 -0.151 0.000 0.744 180 L CB -0.784 41.158 42.059 -0.194 0.000 0.898 180 L HN 0.016 nan 8.230 nan 0.000 0.435 181 A N -1.242 121.392 122.820 -0.311 0.000 1.978 181 A HA -0.161 4.149 4.320 -0.016 0.000 0.220 181 A C 1.666 178.991 177.584 -0.432 0.000 1.170 181 A CA 1.836 53.611 52.037 -0.436 0.000 0.636 181 A CB -0.920 17.581 19.000 -0.832 0.000 0.810 181 A HN 0.521 nan 8.150 nan 0.000 0.448 182 F N -0.928 118.923 119.950 -0.164 0.000 2.708 182 F HA 0.170 4.687 4.527 -0.017 0.000 0.300 182 F C 1.298 177.122 175.800 0.040 0.000 1.118 182 F CA -0.260 57.714 58.000 -0.044 0.000 1.307 182 F CB 0.240 39.213 39.000 -0.046 0.000 0.986 182 F HN 0.189 nan 8.300 nan 0.000 0.522 183 D N 1.185 121.631 120.400 0.076 0.000 2.116 183 D HA -0.273 4.358 4.640 -0.016 0.000 0.193 183 D C 2.203 178.551 176.300 0.080 0.000 0.998 183 D CA 1.829 55.865 54.000 0.060 0.000 0.836 183 D CB 0.168 40.965 40.800 -0.005 0.000 0.951 183 D HN 0.483 nan 8.370 nan 0.000 0.449 184 E N -0.777 119.467 120.200 0.073 0.000 2.072 184 E HA -0.176 4.165 4.350 -0.016 0.000 0.191 184 E C 2.126 178.809 176.600 0.138 0.000 0.985 184 E CA 0.790 57.234 56.400 0.073 0.000 0.801 184 E CB -0.453 29.275 29.700 0.047 0.000 0.750 184 E HN 0.552 nan 8.360 nan 0.000 0.452 185 W N 1.295 122.617 121.300 0.037 0.000 2.338 185 W HA -0.210 4.440 4.660 -0.015 0.000 0.304 185 W C 1.557 178.101 176.519 0.041 0.000 1.212 185 W CA 1.180 58.566 57.345 0.070 0.000 1.264 185 W CB -0.228 29.338 29.460 0.178 0.000 1.142 185 W HN 0.161 nan 8.180 nan 0.000 0.512 186 L N 0.653 122.021 121.223 0.243 0.000 2.179 186 L HA -0.068 4.263 4.340 -0.016 0.000 0.208 186 L C 2.823 179.666 176.870 -0.043 0.000 1.096 186 L CA 1.089 55.985 54.840 0.094 0.000 0.779 186 L CB -1.097 41.056 42.059 0.157 0.000 0.922 186 L HN -0.098 nan 8.230 nan 0.000 0.443 187 A N -0.160 122.647 122.820 -0.022 0.000 1.968 187 A HA 0.245 4.555 4.320 -0.016 0.000 0.217 187 A C 1.591 179.126 177.584 -0.081 0.000 1.169 187 A CA 1.060 53.068 52.037 -0.049 0.000 0.638 187 A CB -0.665 18.323 19.000 -0.019 0.000 0.812 187 A HN 0.464 nan 8.150 nan 0.000 0.446 188 G N -1.559 107.182 108.800 -0.099 0.000 2.552 188 G HA2 -0.012 3.939 3.960 -0.016 0.000 0.265 188 G HA3 -0.012 3.939 3.960 -0.016 0.000 0.265 188 G C 0.210 175.073 174.900 -0.063 0.000 1.234 188 G CA 0.896 45.934 45.100 -0.103 0.000 0.944 188 G HN 1.983 nan 8.290 nan 0.000 0.568 189 V N -1.789 118.095 119.914 -0.050 0.000 2.569 189 V HA 0.736 4.847 4.120 -0.016 0.000 0.301 189 V C -2.567 173.518 176.094 -0.015 0.000 1.044 189 V CA -1.477 60.804 62.300 -0.032 0.000 0.874 189 V CB 2.222 34.024 31.823 -0.035 0.000 1.002 189 V HN 0.763 nan 8.190 nan 0.000 0.424 190 P HA 0.329 nan 4.420 nan 0.000 0.269 190 P C 0.475 177.777 177.300 0.002 0.000 1.215 190 P CA 0.627 63.732 63.100 0.008 0.000 0.780 190 P CB 0.652 32.352 31.700 0.001 0.000 0.898 191 G N 1.935 110.744 108.800 0.015 0.000 2.562 191 G HA2 0.462 4.413 3.960 -0.016 0.000 0.275 191 G HA3 0.462 4.413 3.960 -0.016 0.000 0.275 191 G C -0.806 174.092 174.900 -0.002 0.000 1.196 191 G CA -0.417 44.688 45.100 0.008 0.000 0.908 191 G HN 0.270 nan 8.290 nan 0.000 0.524 192 K N 0.663 121.059 120.400 -0.006 0.000 2.443 192 K HA 0.407 4.718 4.320 -0.016 0.000 0.252 192 K C -0.438 176.167 176.600 0.007 0.000 0.933 192 K CA -0.602 55.680 56.287 -0.008 0.000 0.792 192 K CB 2.874 35.355 32.500 -0.032 0.000 1.185 192 K HN 0.522 nan 8.250 nan 0.000 0.425 193 R N 1.512 122.022 120.500 0.018 0.000 2.664 193 R HA 0.343 4.673 4.340 -0.016 0.000 0.286 193 R C -0.376 175.966 176.300 0.070 0.000 0.967 193 R CA -0.713 55.404 56.100 0.029 0.000 0.933 193 R CB 1.792 32.099 30.300 0.012 0.000 1.146 193 R HN 0.457 nan 8.270 nan 0.000 0.468 194 Q N 1.450 121.298 119.800 0.080 0.000 2.348 194 Q HA 0.417 4.748 4.340 -0.016 0.000 0.265 194 Q C -1.197 174.817 176.000 0.024 0.000 0.998 194 Q CA -0.575 55.296 55.803 0.113 0.000 0.831 194 Q CB 2.646 31.478 28.738 0.157 0.000 1.251 194 Q HN 0.181 nan 8.270 nan 0.000 0.456 195 V N 3.749 123.647 119.914 -0.027 0.000 2.540 195 V HA 0.336 4.447 4.120 -0.016 0.000 0.302 195 V C -1.046 175.017 176.094 -0.050 0.000 1.035 195 V CA -0.871 61.410 62.300 -0.032 0.000 0.873 195 V CB 1.951 33.753 31.823 -0.035 0.000 0.992 195 V HN 0.613 nan 8.190 nan 0.000 0.428 196 L N 7.327 128.533 121.223 -0.028 0.000 2.290 196 L HA 0.496 4.827 4.340 -0.016 0.000 0.284 196 L C -0.120 176.738 176.870 -0.019 0.000 1.078 196 L CA 0.518 55.341 54.840 -0.027 0.000 0.815 196 L CB 0.517 42.569 42.059 -0.013 0.000 1.162 196 L HN 0.574 nan 8.230 nan 0.000 0.435 197 K N 3.183 123.570 120.400 -0.022 0.000 2.316 197 K HA 0.402 4.713 4.320 -0.016 0.000 0.251 197 K C -0.878 175.721 176.600 -0.000 0.000 0.934 197 K CA -0.887 55.395 56.287 -0.008 0.000 0.802 197 K CB 1.661 34.155 32.500 -0.011 0.000 1.171 197 K HN 0.722 nan 8.250 nan 0.000 0.426 198 D N 0.502 120.909 120.400 0.012 0.000 2.425 198 D HA 0.054 4.684 4.640 -0.016 0.000 0.274 198 D C 0.141 176.452 176.300 0.018 0.000 1.242 198 D CA -0.309 53.699 54.000 0.014 0.000 1.060 198 D CB 0.536 41.348 40.800 0.020 0.000 1.112 198 D HN 0.247 nan 8.370 nan 0.000 0.561 199 R N -0.414 120.098 120.500 0.020 0.000 2.978 199 R HA 0.231 4.561 4.340 -0.016 0.000 0.298 199 R C 0.679 176.999 176.300 0.033 0.000 1.296 199 R CA -0.251 55.863 56.100 0.022 0.000 1.181 199 R CB 0.266 30.576 30.300 0.017 0.000 1.348 199 R HN 0.231 nan 8.270 nan 0.000 0.585 200 R N -0.724 119.801 120.500 0.042 0.000 2.369 200 R HA 0.142 4.473 4.340 -0.016 0.000 0.210 200 R C 0.663 177.009 176.300 0.077 0.000 0.881 200 R CA 0.287 56.421 56.100 0.056 0.000 1.031 200 R CB 1.226 31.561 30.300 0.058 0.000 1.184 200 R HN 0.108 nan 8.270 nan 0.000 0.581 201 G N 1.612 110.461 108.800 0.081 0.000 2.522 201 G HA2 0.471 4.421 3.960 -0.016 0.000 0.318 201 G HA3 0.471 4.421 3.960 -0.016 0.000 0.318 201 G C -0.452 174.489 174.900 0.067 0.000 1.192 201 G CA -0.440 44.697 45.100 0.060 0.000 0.988 201 G HN -0.019 nan 8.290 nan 0.000 0.480 202 R N 1.026 121.561 120.500 0.059 0.000 2.532 202 R HA 0.443 4.773 4.340 -0.016 0.000 0.272 202 R C -0.200 176.118 176.300 0.030 0.000 1.032 202 R CA -0.768 55.366 56.100 0.056 0.000 1.089 202 R CB 1.909 32.252 30.300 0.071 0.000 1.098 202 R HN 0.283 nan 8.270 nan 0.000 0.526 203 V N 3.900 123.825 119.914 0.018 0.000 2.439 203 V HA 0.015 4.126 4.120 -0.016 0.000 0.271 203 V C 1.456 177.560 176.094 0.016 0.000 1.040 203 V CA 0.363 62.668 62.300 0.009 0.000 1.002 203 V CB 0.567 32.390 31.823 0.001 0.000 1.000 203 V HN 0.705 nan 8.190 nan 0.000 0.477 204 I N 4.269 124.846 120.570 0.011 0.000 2.277 204 I HA 0.032 4.193 4.170 -0.016 0.000 0.243 204 I C 1.022 177.146 176.117 0.012 0.000 1.094 204 I CA 1.016 62.324 61.300 0.013 0.000 1.393 204 I CB 0.003 38.008 38.000 0.009 0.000 1.078 204 I HN 0.733 nan 8.210 nan 0.000 0.417 205 K N -0.223 120.182 120.400 0.008 0.000 2.711 205 K HA 0.311 4.622 4.320 -0.016 0.000 0.294 205 K C -1.846 174.758 176.600 0.007 0.000 1.037 205 K CA -0.884 55.409 56.287 0.010 0.000 0.858 205 K CB 0.963 33.468 32.500 0.010 0.000 1.521 205 K HN -0.312 nan 8.250 nan 0.000 0.386 206 D N 0.489 120.895 120.400 0.010 0.000 2.344 206 D HA 0.220 4.851 4.640 -0.016 0.000 0.244 206 D C 0.579 176.886 176.300 0.012 0.000 1.134 206 D CA -0.283 53.724 54.000 0.011 0.000 0.930 206 D CB 1.623 42.432 40.800 0.015 0.000 1.175 206 D HN 0.452 nan 8.370 nan 0.000 0.437 207 V N -1.477 118.446 119.914 0.016 0.000 3.276 207 V HA 0.382 4.493 4.120 -0.016 0.000 0.319 207 V C -0.093 176.014 176.094 0.022 0.000 1.427 207 V CA -0.202 62.109 62.300 0.017 0.000 1.102 207 V CB -0.384 31.448 31.823 0.015 0.000 1.020 207 V HN 0.431 nan 8.190 nan 0.000 0.456 208 Q N 0.512 120.325 119.800 0.022 0.000 2.943 208 Q HA 0.455 4.785 4.340 -0.016 0.000 0.305 208 Q C -0.963 175.047 176.000 0.016 0.000 0.873 208 Q CA 0.015 55.829 55.803 0.019 0.000 0.773 208 Q CB 1.776 30.527 28.738 0.021 0.000 1.501 208 Q HN 0.795 nan 8.270 nan 0.000 0.442 209 V N 0.394 120.315 119.914 0.012 0.000 2.673 209 V HA 0.461 4.572 4.120 -0.016 0.000 0.303 209 V C 0.015 176.116 176.094 0.011 0.000 1.046 209 V CA 0.189 62.495 62.300 0.010 0.000 1.126 209 V CB 0.456 32.283 31.823 0.007 0.000 0.934 209 V HN 0.703 nan 8.190 nan 0.000 0.487 210 T N 5.689 120.250 114.554 0.013 0.000 2.902 210 T HA 0.157 4.498 4.350 -0.016 0.000 0.301 210 T C 0.230 174.935 174.700 0.009 0.000 1.012 210 T CA -0.066 62.042 62.100 0.013 0.000 1.151 210 T CB 0.086 68.965 68.868 0.017 0.000 0.946 210 T HN 0.702 nan 8.240 nan 0.000 0.542 211 K N 4.677 125.080 120.400 0.004 0.000 2.268 211 K HA 0.222 4.533 4.320 -0.016 0.000 0.276 211 K C 0.452 177.054 176.600 0.003 0.000 1.080 211 K CA -0.403 55.883 56.287 -0.001 0.000 0.910 211 K CB 0.524 33.017 32.500 -0.011 0.000 1.163 211 K HN 0.561 nan 8.250 nan 0.000 0.465 212 N N 1.197 119.901 118.700 0.007 0.000 2.441 212 N HA 0.007 4.738 4.740 -0.016 0.000 0.251 212 N C 0.079 175.596 175.510 0.013 0.000 1.242 212 N CA 0.099 53.158 53.050 0.015 0.000 0.898 212 N CB 0.806 39.303 38.487 0.016 0.000 1.100 212 N HN 0.499 nan 8.380 nan 0.000 0.443 213 A N 1.714 124.550 122.820 0.027 0.000 2.425 213 A HA 0.078 4.388 4.320 -0.016 0.000 0.242 213 A C 0.471 178.061 177.584 0.010 0.000 1.077 213 A CA 0.018 52.070 52.037 0.024 0.000 0.781 213 A CB 0.264 19.298 19.000 0.056 0.000 1.020 213 A HN 0.718 nan 8.150 nan 0.000 0.494 214 K N 2.202 122.596 120.400 -0.010 0.000 2.235 214 K HA 0.497 4.808 4.320 -0.016 0.000 0.266 214 K C -2.838 173.736 176.600 -0.045 0.000 0.980 214 K CA -1.985 54.284 56.287 -0.030 0.000 0.849 214 K CB 1.115 33.589 32.500 -0.044 0.000 1.098 214 K HN 0.356 nan 8.250 nan 0.000 0.445 215 P HA 0.035 nan 4.420 nan 0.000 0.269 215 P C -0.206 177.025 177.300 -0.114 0.000 1.215 215 P CA -0.206 62.861 63.100 -0.055 0.000 0.780 215 P CB 0.786 32.473 31.700 -0.022 0.000 0.898 216 G N 1.856 110.568 108.800 -0.147 0.000 2.684 216 G HA2 0.182 4.132 3.960 -0.016 0.000 0.255 216 G HA3 0.182 4.132 3.960 -0.016 0.000 0.255 216 G C -0.596 174.145 174.900 -0.266 0.000 1.219 216 G CA -0.489 44.483 45.100 -0.213 0.000 0.901 216 G HN 0.372 nan 8.290 nan 0.000 0.548 217 K N 0.035 120.151 120.400 -0.473 0.000 2.130 217 K HA 0.375 4.685 4.320 -0.016 0.000 0.268 217 K C 0.245 176.733 176.600 -0.187 0.000 0.983 217 K CA -0.338 55.615 56.287 -0.556 0.000 0.893 217 K CB 1.358 33.010 32.500 -1.413 0.000 1.066 217 K HN 0.397 nan 8.250 nan 0.000 0.450 218 T N 2.162 116.723 114.554 0.012 0.000 2.932 218 T HA 0.108 4.449 4.350 -0.016 0.000 0.312 218 T C -0.509 174.433 174.700 0.402 0.000 1.071 218 T CA -0.017 62.175 62.100 0.154 0.000 1.128 218 T CB 0.196 69.128 68.868 0.107 0.000 0.984 218 T HN 0.239 nan 8.240 nan 0.000 0.549 219 L N 2.635 124.014 121.223 0.261 0.000 2.439 219 L HA 0.680 5.011 4.340 -0.016 0.000 0.270 219 L C -0.638 176.229 176.870 -0.005 0.000 0.972 219 L CA -0.548 54.374 54.840 0.137 0.000 0.836 219 L CB 1.249 43.323 42.059 0.025 0.000 1.255 219 L HN 0.728 nan 8.230 nan 0.000 0.404 220 A N 6.142 128.933 122.820 -0.049 0.000 2.260 220 A HA 0.647 4.958 4.320 -0.016 0.000 0.308 220 A C -0.346 177.169 177.584 -0.115 0.000 1.254 220 A CA -0.570 51.434 52.037 -0.055 0.000 0.874 220 A CB 0.173 19.158 19.000 -0.025 0.000 1.153 220 A HN 0.760 nan 8.150 nan 0.000 0.527 221 L N 2.065 123.232 121.223 -0.094 0.000 2.472 221 L HA 0.127 4.458 4.340 -0.016 0.000 0.260 221 L C 1.876 178.710 176.870 -0.060 0.000 1.209 221 L CA 0.155 54.937 54.840 -0.097 0.000 0.817 221 L CB 0.923 42.953 42.059 -0.048 0.000 1.106 221 L HN 0.971 nan 8.230 nan 0.000 0.479 222 S N 0.249 115.919 115.700 -0.050 0.000 2.428 222 S HA 0.026 4.487 4.470 -0.016 0.000 0.230 222 S C 0.898 175.493 174.600 -0.010 0.000 1.014 222 S CA -0.014 58.170 58.200 -0.028 0.000 0.957 222 S CB -0.189 62.996 63.200 -0.025 0.000 0.784 222 S HN 0.350 nan 8.310 nan 0.000 0.499 223 I N 3.622 124.191 120.570 -0.001 0.000 2.752 223 I HA 0.072 4.232 4.170 -0.016 0.000 0.289 223 I C 0.253 176.378 176.117 0.014 0.000 1.197 223 I CA 0.458 61.766 61.300 0.013 0.000 1.432 223 I CB -0.216 37.799 38.000 0.026 0.000 1.359 223 I HN 0.282 nan 8.210 nan 0.000 0.571 224 D N 6.358 126.770 120.400 0.019 0.000 2.373 224 D HA 0.068 4.698 4.640 -0.016 0.000 0.227 224 D C 0.861 177.182 176.300 0.035 0.000 1.091 224 D CA -0.585 53.428 54.000 0.022 0.000 0.840 224 D CB 1.270 42.081 40.800 0.019 0.000 1.060 224 D HN 0.359 nan 8.370 nan 0.000 0.502 225 L N 5.553 126.798 121.223 0.035 0.000 2.129 225 L HA -0.170 4.161 4.340 -0.016 0.000 0.212 225 L C 2.070 178.986 176.870 0.077 0.000 1.087 225 L CA 1.776 56.646 54.840 0.049 0.000 0.757 225 L CB -0.251 41.827 42.059 0.032 0.000 0.896 225 L HN 0.394 nan 8.230 nan 0.000 0.434 226 R N -1.463 119.075 120.500 0.062 0.000 2.075 226 R HA -0.135 4.196 4.340 -0.016 0.000 0.232 226 R C 2.110 178.474 176.300 0.107 0.000 1.126 226 R CA 1.433 57.583 56.100 0.084 0.000 0.963 226 R CB -0.548 29.782 30.300 0.051 0.000 0.858 226 R HN 0.261 nan 8.270 nan 0.000 0.435 227 L N 0.713 121.975 121.223 0.065 0.000 2.109 227 L HA -0.129 4.202 4.340 -0.016 0.000 0.207 227 L C 2.578 179.480 176.870 0.053 0.000 1.086 227 L CA 1.514 56.381 54.840 0.045 0.000 0.760 227 L CB -0.574 41.497 42.059 0.020 0.000 0.910 227 L HN 0.095 nan 8.230 nan 0.000 0.437 228 Q N -1.003 118.838 119.800 0.068 0.000 2.061 228 Q HA -0.292 4.038 4.340 -0.016 0.000 0.204 228 Q C 2.282 178.339 176.000 0.095 0.000 0.984 228 Q CA 2.037 57.884 55.803 0.072 0.000 0.846 228 Q CB -0.550 28.230 28.738 0.070 0.000 0.902 228 Q HN 0.569 nan 8.270 nan 0.000 0.421 229 Y N -0.232 120.086 120.300 0.030 0.000 2.163 229 Y HA -0.206 4.338 4.550 -0.010 0.000 0.288 229 Y C 1.872 177.830 175.900 0.097 0.000 1.136 229 Y CA 1.512 59.641 58.100 0.048 0.000 1.147 229 Y CB -0.427 38.042 38.460 0.016 0.000 0.987 229 Y HN 0.299 nan 8.280 nan 0.000 0.509 230 L N 1.266 122.459 121.223 -0.050 0.000 1.990 230 L HA -0.216 4.115 4.340 -0.016 0.000 0.213 230 L C 2.440 179.212 176.870 -0.164 0.000 1.072 230 L CA 2.444 57.211 54.840 -0.122 0.000 0.755 230 L CB -1.454 40.607 42.059 0.002 0.000 0.889 230 L HN 0.316 nan 8.230 nan 0.000 0.432 231 A N -1.345 121.425 122.820 -0.082 0.000 1.902 231 A HA -0.296 4.015 4.320 -0.016 0.000 0.217 231 A C 2.412 179.948 177.584 -0.080 0.000 1.181 231 A CA 1.716 53.715 52.037 -0.063 0.000 0.623 231 A CB -1.232 17.760 19.000 -0.015 0.000 0.818 231 A HN 0.802 nan 8.150 nan 0.000 0.443 232 H N 1.050 120.015 119.070 -0.176 0.000 2.319 232 H HA -0.223 4.329 4.556 -0.007 0.000 0.297 232 H C 2.329 177.526 175.328 -0.218 0.000 1.097 232 H CA 2.342 58.290 56.048 -0.168 0.000 1.285 232 H CB -0.130 29.535 29.762 -0.160 0.000 1.368 232 H HN 0.618 nan 8.280 nan 0.000 0.495 233 R N 0.360 120.612 120.500 -0.412 0.000 2.073 233 R HA -0.055 4.275 4.340 -0.016 0.000 0.229 233 R C 2.072 178.215 176.300 -0.260 0.000 1.120 233 R CA 1.417 57.279 56.100 -0.397 0.000 0.967 233 R CB -0.205 29.849 30.300 -0.411 0.000 0.862 233 R HN 0.219 nan 8.270 nan 0.000 0.436 234 E N 1.116 121.193 120.200 -0.204 0.000 2.072 234 E HA -0.154 4.186 4.350 -0.016 0.000 0.191 234 E C 1.996 178.520 176.600 -0.126 0.000 0.985 234 E CA 0.883 57.202 56.400 -0.135 0.000 0.801 234 E CB -0.345 29.291 29.700 -0.107 0.000 0.750 234 E HN 0.271 nan 8.360 nan 0.000 0.452 235 L N 1.682 122.822 121.223 -0.139 0.000 2.012 235 L HA -0.179 4.152 4.340 -0.016 0.000 0.210 235 L C 2.540 179.331 176.870 -0.131 0.000 1.073 235 L CA 1.885 56.656 54.840 -0.115 0.000 0.748 235 L CB -0.473 41.526 42.059 -0.100 0.000 0.891 235 L HN -0.006 nan 8.230 nan 0.000 0.431 236 R N -0.719 119.659 120.500 -0.204 0.000 2.073 236 R HA -0.184 4.147 4.340 -0.016 0.000 0.234 236 R C 2.026 178.257 176.300 -0.115 0.000 1.134 236 R CA 1.749 57.738 56.100 -0.185 0.000 0.952 236 R CB -0.292 29.832 30.300 -0.294 0.000 0.850 236 R HN 0.495 nan 8.270 nan 0.000 0.433 237 N N 0.724 119.357 118.700 -0.111 0.000 2.120 237 N HA -0.159 4.572 4.740 -0.016 0.000 0.188 237 N C 1.645 177.121 175.510 -0.057 0.000 1.024 237 N CA 1.529 54.536 53.050 -0.071 0.000 0.852 237 N CB -0.426 38.023 38.487 -0.064 0.000 1.003 237 N HN 0.334 nan 8.380 nan 0.000 0.424 238 A N 1.080 123.862 122.820 -0.063 0.000 1.877 238 A HA -0.078 4.232 4.320 -0.016 0.000 0.216 238 A C 2.203 179.761 177.584 -0.043 0.000 1.186 238 A CA 1.014 53.021 52.037 -0.050 0.000 0.620 238 A CB -0.652 18.316 19.000 -0.053 0.000 0.822 238 A HN 0.112 nan 8.150 nan 0.000 0.443 239 L N -0.878 120.317 121.223 -0.048 0.000 2.012 239 L HA -0.177 4.154 4.340 -0.016 0.000 0.210 239 L C 2.365 179.218 176.870 -0.028 0.000 1.073 239 L CA 1.351 56.168 54.840 -0.038 0.000 0.748 239 L CB -0.980 41.056 42.059 -0.040 0.000 0.891 239 L HN 0.262 nan 8.230 nan 0.000 0.431 240 L N -0.673 120.532 121.223 -0.031 0.000 2.083 240 L HA -0.193 4.138 4.340 -0.016 0.000 0.209 240 L C 2.580 179.441 176.870 -0.016 0.000 1.083 240 L CA 1.557 56.384 54.840 -0.021 0.000 0.752 240 L CB -0.965 41.081 42.059 -0.022 0.000 0.899 240 L HN 0.447 nan 8.230 nan 0.000 0.433 241 E N -0.368 119.820 120.200 -0.019 0.000 2.106 241 E HA -0.194 4.147 4.350 -0.016 0.000 0.192 241 E C 1.277 177.871 176.600 -0.011 0.000 0.984 241 E CA 1.301 57.693 56.400 -0.014 0.000 0.806 241 E CB 0.066 29.755 29.700 -0.018 0.000 0.750 241 E HN 0.546 nan 8.360 nan 0.000 0.458 242 N N -0.722 117.969 118.700 -0.014 0.000 2.280 242 N HA 0.139 4.869 4.740 -0.016 0.000 0.192 242 N C 0.395 175.901 175.510 -0.007 0.000 1.109 242 N CA 0.530 53.574 53.050 -0.010 0.000 0.855 242 N CB 1.204 39.683 38.487 -0.014 0.000 0.974 242 N HN 0.259 nan 8.380 nan 0.000 0.482 243 G N 0.065 108.860 108.800 -0.008 0.000 2.225 243 G HA2 -0.269 3.682 3.960 -0.016 0.000 0.267 243 G HA3 -0.269 3.682 3.960 -0.016 0.000 0.267 243 G C 0.090 174.986 174.900 -0.007 0.000 1.024 243 G CA 0.393 45.490 45.100 -0.005 0.000 0.784 243 G HN 0.549 nan 8.290 nan 0.000 0.507 244 A N -0.902 121.911 122.820 -0.013 0.000 2.293 244 A HA 0.812 5.123 4.320 -0.016 0.000 0.302 244 A C 1.248 178.824 177.584 -0.012 0.000 1.119 244 A CA -0.084 51.943 52.037 -0.015 0.000 0.823 244 A CB 0.750 19.735 19.000 -0.024 0.000 1.097 244 A HN 0.093 nan 8.150 nan 0.000 0.491 245 K N 0.186 120.580 120.400 -0.010 0.000 2.211 245 K HA 0.320 4.630 4.320 -0.016 0.000 0.201 245 K C 0.590 177.190 176.600 -0.000 0.000 1.052 245 K CA 1.357 57.643 56.287 -0.002 0.000 0.973 245 K CB 0.010 32.511 32.500 0.001 0.000 0.766 245 K HN 0.830 nan 8.250 nan 0.000 0.466 246 A N -0.155 122.660 122.820 -0.009 0.000 2.594 246 A HA 0.759 5.070 4.320 -0.016 0.000 0.291 246 A C -0.605 176.964 177.584 -0.026 0.000 1.105 246 A CA -0.088 51.943 52.037 -0.009 0.000 0.694 246 A CB 1.911 20.909 19.000 -0.003 0.000 1.291 246 A HN 0.180 nan 8.150 nan 0.000 0.410 247 G N -0.798 107.985 108.800 -0.028 0.000 2.506 247 G HA2 0.629 4.579 3.960 -0.016 0.000 0.292 247 G HA3 0.629 4.579 3.960 -0.016 0.000 0.292 247 G C -1.196 173.683 174.900 -0.035 0.000 1.425 247 G CA 0.165 45.240 45.100 -0.042 0.000 0.788 247 G HN 1.220 nan 8.290 nan 0.000 0.490 248 S N -1.097 114.582 115.700 -0.034 0.000 2.618 248 S HA 0.832 5.293 4.470 -0.016 0.000 0.277 248 S C -1.795 172.803 174.600 -0.004 0.000 1.138 248 S CA -0.624 57.567 58.200 -0.016 0.000 0.844 248 S CB 2.011 65.212 63.200 0.002 0.000 1.127 248 S HN 1.288 nan 8.310 nan 0.000 0.474 249 L N 2.272 123.501 121.223 0.011 0.000 2.562 249 L HA 0.707 5.037 4.340 -0.016 0.000 0.266 249 L C -1.837 175.051 176.870 0.030 0.000 0.949 249 L CA -0.486 54.367 54.840 0.022 0.000 0.879 249 L CB 1.165 43.229 42.059 0.008 0.000 1.278 249 L HN 0.515 nan 8.230 nan 0.000 0.404 250 V N 6.186 126.125 119.914 0.042 0.000 2.555 250 V HA 0.606 4.716 4.120 -0.016 0.000 0.302 250 V C -0.025 176.098 176.094 0.048 0.000 1.038 250 V CA -0.454 61.870 62.300 0.040 0.000 0.887 250 V CB 2.063 33.913 31.823 0.044 0.000 0.991 250 V HN 0.636 nan 8.190 nan 0.000 0.434 251 I N 5.078 125.669 120.570 0.036 0.000 2.436 251 I HA 0.529 4.690 4.170 -0.016 0.000 0.289 251 I C -0.417 175.723 176.117 0.040 0.000 1.010 251 I CA -0.328 60.995 61.300 0.038 0.000 1.098 251 I CB 1.875 39.883 38.000 0.013 0.000 1.266 251 I HN 0.414 nan 8.210 nan 0.000 0.434 252 M N 4.563 124.200 119.600 0.062 0.000 2.465 252 M HA 0.300 4.771 4.480 -0.016 0.000 0.316 252 M C -0.797 175.540 176.300 0.060 0.000 1.121 252 M CA -0.712 54.624 55.300 0.059 0.000 0.934 252 M CB 2.232 34.885 32.600 0.089 0.000 1.692 252 M HN 0.427 nan 8.290 nan 0.000 0.444 253 D N 2.571 122.997 120.400 0.043 0.000 2.352 253 D HA 0.121 4.751 4.640 -0.016 0.000 0.245 253 D C 1.049 177.378 176.300 0.049 0.000 1.224 253 D CA -0.091 53.933 54.000 0.040 0.000 0.879 253 D CB 1.298 42.113 40.800 0.025 0.000 1.057 253 D HN 0.544 nan 8.370 nan 0.000 0.491 254 V N 2.544 122.488 119.914 0.050 0.000 2.913 254 V HA -0.097 4.013 4.120 -0.016 0.000 0.260 254 V C 1.697 177.804 176.094 0.021 0.000 1.098 254 V CA 1.126 63.449 62.300 0.038 0.000 1.121 254 V CB -0.404 31.422 31.823 0.005 0.000 0.714 254 V HN 0.316 nan 8.190 nan 0.000 0.487 255 K N 1.025 121.437 120.400 0.021 0.000 2.262 255 K HA 0.067 4.377 4.320 -0.016 0.000 0.200 255 K C 1.929 178.540 176.600 0.019 0.000 1.049 255 K CA 1.387 57.683 56.287 0.015 0.000 0.979 255 K CB 0.087 32.595 32.500 0.014 0.000 0.773 255 K HN 0.758 nan 8.250 nan 0.000 0.474 256 T N -4.705 109.863 114.554 0.023 0.000 3.004 256 T HA 0.230 4.570 4.350 -0.016 0.000 0.266 256 T C 1.299 176.012 174.700 0.022 0.000 0.986 256 T CA 0.318 62.429 62.100 0.019 0.000 0.902 256 T CB 1.008 69.883 68.868 0.012 0.000 1.118 256 T HN 0.210 nan 8.240 nan 0.000 0.522 257 G N 1.570 110.392 108.800 0.037 0.000 2.179 257 G HA2 -0.244 3.706 3.960 -0.016 0.000 0.260 257 G HA3 -0.244 3.706 3.960 -0.016 0.000 0.260 257 G C -0.236 174.658 174.900 -0.010 0.000 0.977 257 G CA 0.119 45.240 45.100 0.035 0.000 0.641 257 G HN 0.670 nan 8.290 nan 0.000 0.533 258 E N -0.088 120.111 120.200 -0.001 0.000 2.344 258 E HA 0.410 4.751 4.350 -0.016 0.000 0.270 258 E C 0.607 177.200 176.600 -0.012 0.000 1.021 258 E CA -0.378 56.014 56.400 -0.013 0.000 0.887 258 E CB 0.849 30.545 29.700 -0.006 0.000 0.997 258 E HN 0.399 nan 8.360 nan 0.000 0.429 259 I N 5.109 125.662 120.570 -0.027 0.000 2.347 259 I HA -0.053 4.108 4.170 -0.016 0.000 0.294 259 I C 1.060 177.175 176.117 -0.004 0.000 1.090 259 I CA 0.119 61.407 61.300 -0.021 0.000 1.314 259 I CB 0.327 38.300 38.000 -0.046 0.000 1.423 259 I HN 0.543 nan 8.210 nan 0.000 0.503 260 L N 6.169 127.396 121.223 0.007 0.000 2.270 260 L HA 0.261 4.592 4.340 -0.016 0.000 0.210 260 L C 0.957 177.837 176.870 0.017 0.000 1.104 260 L CA 0.344 55.191 54.840 0.011 0.000 0.804 260 L CB -0.115 41.951 42.059 0.012 0.000 0.937 260 L HN 0.709 nan 8.230 nan 0.000 0.450 261 A N 0.086 122.917 122.820 0.019 0.000 2.594 261 A HA 0.708 5.019 4.320 -0.016 0.000 0.295 261 A C -1.057 176.543 177.584 0.027 0.000 1.071 261 A CA -0.368 51.686 52.037 0.027 0.000 0.685 261 A CB 1.903 20.919 19.000 0.025 0.000 1.285 261 A HN 0.030 nan 8.150 nan 0.000 0.405 262 M N 2.347 121.971 119.600 0.040 0.000 2.284 262 M HA 0.419 4.890 4.480 -0.016 0.000 0.229 262 M C -1.333 175.009 176.300 0.070 0.000 0.984 262 M CA 0.172 55.496 55.300 0.040 0.000 1.016 262 M CB 1.415 34.030 32.600 0.024 0.000 2.379 262 M HN 0.871 nan 8.290 nan 0.000 0.459 263 T N 3.227 117.822 114.554 0.067 0.000 2.893 263 T HA 0.713 5.054 4.350 -0.016 0.000 0.291 263 T C -1.273 173.466 174.700 0.064 0.000 1.028 263 T CA -0.457 61.708 62.100 0.108 0.000 0.995 263 T CB 1.288 70.228 68.868 0.121 0.000 1.051 263 T HN 0.810 nan 8.240 nan 0.000 0.470 264 N N 2.957 121.711 118.700 0.091 0.000 2.357 264 N HA 0.418 5.148 4.740 -0.016 0.000 0.284 264 N C -1.459 174.105 175.510 0.091 0.000 1.236 264 N CA -0.816 52.226 53.050 -0.013 0.000 0.774 264 N CB 2.255 40.571 38.487 -0.284 0.000 1.534 264 N HN 0.539 nan 8.380 nan 0.000 0.478 265 Q N 0.721 120.546 119.800 0.042 0.000 2.375 265 Q HA 0.527 4.858 4.340 -0.016 0.000 0.271 265 Q C -2.530 173.504 176.000 0.057 0.000 1.074 265 Q CA -1.570 54.275 55.803 0.070 0.000 0.808 265 Q CB 2.805 31.549 28.738 0.009 0.000 1.327 265 Q HN 0.339 nan 8.270 nan 0.000 0.441 266 P HA 0.214 nan 4.420 nan 0.000 0.274 266 P C -0.314 177.155 177.300 0.282 0.000 1.246 266 P CA -0.094 63.092 63.100 0.143 0.000 0.795 266 P CB 0.899 32.671 31.700 0.120 0.000 1.006 267 T N -0.525 114.196 114.554 0.277 0.000 2.724 267 T HA 0.760 5.101 4.350 -0.016 0.000 0.274 267 T C -1.610 173.232 174.700 0.236 0.000 0.984 267 T CA -0.561 61.725 62.100 0.311 0.000 1.024 267 T CB 0.558 69.555 68.868 0.216 0.000 1.320 267 T HN 0.476 nan 8.240 nan 0.000 0.555 268 Y N -0.201 120.073 120.300 -0.044 0.000 2.656 268 Y HA 0.685 5.223 4.550 -0.019 0.000 0.334 268 Y C -1.143 174.705 175.900 -0.086 0.000 1.179 268 Y CA -1.439 56.629 58.100 -0.053 0.000 1.050 268 Y CB 0.745 39.165 38.460 -0.067 0.000 1.308 268 Y HN 0.519 nan 8.280 nan 0.000 0.456 269 N N 3.646 122.350 118.700 0.007 0.000 2.462 269 N HA 0.380 5.111 4.740 -0.016 0.000 0.242 269 N C -2.006 173.490 175.510 -0.022 0.000 1.010 269 N CA -2.885 50.118 53.050 -0.079 0.000 0.939 269 N CB 1.334 39.820 38.487 -0.002 0.000 1.127 269 N HN 0.509 nan 8.380 nan 0.000 0.509 270 P HA -0.081 nan 4.420 nan 0.000 0.225 270 P C 0.098 177.341 177.300 -0.096 0.000 1.148 270 P CA 0.964 63.950 63.100 -0.191 0.000 0.779 270 P CB 0.423 31.865 31.700 -0.429 0.000 0.780 271 N N -0.452 118.278 118.700 0.050 0.000 2.463 271 N HA -0.031 4.699 4.740 -0.016 0.000 0.181 271 N C 0.338 175.881 175.510 0.054 0.000 1.078 271 N CA 0.545 53.672 53.050 0.129 0.000 0.902 271 N CB -0.095 38.522 38.487 0.216 0.000 0.970 271 N HN 0.137 nan 8.380 nan 0.000 0.451 272 N N 0.638 119.345 118.700 0.011 0.000 2.640 272 N HA 0.166 4.897 4.740 -0.016 0.000 0.262 272 N C -0.736 174.758 175.510 -0.027 0.000 1.174 272 N CA -0.227 52.824 53.050 0.001 0.000 0.791 272 N CB 0.543 39.047 38.487 0.027 0.000 1.279 272 N HN -0.104 nan 8.380 nan 0.000 0.535 273 R N 1.796 122.245 120.500 -0.086 0.000 2.609 273 R HA 0.299 4.629 4.340 -0.016 0.000 0.326 273 R C 1.084 177.333 176.300 -0.084 0.000 1.090 273 R CA -0.168 55.855 56.100 -0.127 0.000 1.072 273 R CB 0.646 30.769 30.300 -0.295 0.000 1.330 273 R HN 0.315 nan 8.270 nan 0.000 0.572 274 R N 0.146 120.621 120.500 -0.043 0.000 2.093 274 R HA -0.004 4.327 4.340 -0.016 0.000 0.224 274 R C 0.913 177.202 176.300 -0.019 0.000 1.101 274 R CA 0.968 57.052 56.100 -0.026 0.000 0.979 274 R CB 0.006 30.300 30.300 -0.010 0.000 0.877 274 R HN 0.052 nan 8.270 nan 0.000 0.441 275 N N 0.382 119.075 118.700 -0.012 0.000 2.321 275 N HA 0.159 4.890 4.740 -0.016 0.000 0.242 275 N C -0.531 174.973 175.510 -0.009 0.000 1.141 275 N CA -0.106 52.941 53.050 -0.005 0.000 0.864 275 N CB 0.317 38.808 38.487 0.007 0.000 1.100 275 N HN 0.020 nan 8.380 nan 0.000 0.510 276 L N 0.756 121.959 121.223 -0.032 0.000 2.516 276 L HA -0.007 4.324 4.340 -0.016 0.000 0.288 276 L C 0.330 177.179 176.870 -0.035 0.000 1.246 276 L CA 0.698 55.506 54.840 -0.054 0.000 0.844 276 L CB 0.467 42.450 42.059 -0.128 0.000 1.106 276 L HN 0.220 nan 8.230 nan 0.000 0.509 277 Q N 3.402 123.185 119.800 -0.027 0.000 2.365 277 Q HA 0.269 4.600 4.340 -0.016 0.000 0.269 277 Q C -1.807 174.184 176.000 -0.014 0.000 1.061 277 Q CA -1.794 54.003 55.803 -0.009 0.000 0.816 277 Q CB 2.126 30.872 28.738 0.013 0.000 1.325 277 Q HN 0.361 nan 8.270 nan 0.000 0.446 278 P HA -0.199 nan 4.420 nan 0.000 0.215 278 P C 0.873 178.187 177.300 0.022 0.000 1.153 278 P CA 1.547 64.647 63.100 -0.001 0.000 0.853 278 P CB 0.187 31.890 31.700 0.005 0.000 0.788 279 A N -0.141 122.698 122.820 0.032 0.000 2.019 279 A HA -0.087 4.223 4.320 -0.016 0.000 0.219 279 A C 2.272 179.912 177.584 0.093 0.000 1.164 279 A CA 1.942 54.009 52.037 0.050 0.000 0.644 279 A CB -1.447 17.578 19.000 0.040 0.000 0.805 279 A HN 0.226 nan 8.150 nan 0.000 0.449 280 A N -1.195 121.688 122.820 0.106 0.000 2.016 280 A HA 0.132 4.443 4.320 -0.016 0.000 0.217 280 A C 2.085 179.876 177.584 0.345 0.000 1.162 280 A CA 1.256 53.419 52.037 0.210 0.000 0.662 280 A CB -0.364 18.740 19.000 0.173 0.000 0.812 280 A HN 0.493 nan 8.150 nan 0.000 0.450 281 M N -0.525 119.152 119.600 0.128 0.000 2.506 281 M HA 0.048 4.518 4.480 -0.016 0.000 0.260 281 M C 0.213 176.708 176.300 0.324 0.000 1.104 281 M CA 0.267 55.618 55.300 0.087 0.000 1.112 281 M CB 0.062 32.593 32.600 -0.116 0.000 1.401 281 M HN 0.196 nan 8.290 nan 0.000 0.473 282 R N 1.984 122.605 120.500 0.202 0.000 2.446 282 R HA -0.022 4.308 4.340 -0.016 0.000 0.314 282 R C 0.118 176.375 176.300 -0.072 0.000 1.003 282 R CA -0.134 56.017 56.100 0.086 0.000 1.018 282 R CB -0.235 30.084 30.300 0.033 0.000 0.945 282 R HN 0.028 nan 8.270 nan 0.000 0.419 283 N N 3.276 121.975 118.700 -0.002 0.000 2.971 283 N HA -0.009 4.721 4.740 -0.016 0.000 0.294 283 N C 0.618 176.070 175.510 -0.097 0.000 1.210 283 N CA 0.136 53.117 53.050 -0.116 0.000 1.157 283 N CB 0.209 38.756 38.487 0.099 0.000 1.450 283 N HN 0.422 nan 8.380 nan 0.000 0.527 284 R N 1.208 121.617 120.500 -0.151 0.000 2.103 284 R HA -0.191 4.139 4.340 -0.016 0.000 0.242 284 R C 1.868 178.167 176.300 -0.003 0.000 1.142 284 R CA 1.820 57.889 56.100 -0.050 0.000 0.960 284 R CB -0.364 29.907 30.300 -0.049 0.000 0.858 284 R HN 0.507 nan 8.270 nan 0.000 0.439 285 A N 0.517 123.325 122.820 -0.021 0.000 1.997 285 A HA -0.212 4.099 4.320 -0.016 0.000 0.221 285 A C 2.031 179.615 177.584 -0.000 0.000 1.172 285 A CA 1.806 53.851 52.037 0.012 0.000 0.645 285 A CB -0.313 18.684 19.000 -0.005 0.000 0.813 285 A HN 0.286 nan 8.150 nan 0.000 0.454 286 M N -1.734 117.852 119.600 -0.023 0.000 2.421 286 M HA 0.272 4.742 4.480 -0.016 0.000 0.258 286 M C 1.573 177.858 176.300 -0.025 0.000 1.122 286 M CA 0.473 55.746 55.300 -0.046 0.000 1.078 286 M CB 0.455 33.010 32.600 -0.076 0.000 1.380 286 M HN 0.666 nan 8.290 nan 0.000 0.499 287 I N -3.979 116.589 120.570 -0.003 0.000 4.403 287 I HA 0.320 4.481 4.170 -0.016 0.000 0.331 287 I C -0.727 175.398 176.117 0.013 0.000 1.327 287 I CA -0.343 60.959 61.300 0.003 0.000 1.175 287 I CB 0.425 38.435 38.000 0.016 0.000 1.165 287 I HN -0.206 nan 8.210 nan 0.000 0.413 288 D N 3.517 123.940 120.400 0.039 0.000 2.312 288 D HA 0.380 5.011 4.640 -0.016 0.000 0.252 288 D C 0.005 176.356 176.300 0.085 0.000 1.150 288 D CA 0.188 54.238 54.000 0.082 0.000 0.870 288 D CB 2.172 43.047 40.800 0.125 0.000 1.153 288 D HN 0.213 nan 8.370 nan 0.000 0.457 289 V N 0.237 120.178 119.914 0.045 0.000 2.769 289 V HA 0.911 5.021 4.120 -0.016 0.000 0.312 289 V C -0.568 175.559 176.094 0.056 0.000 1.058 289 V CA -0.806 61.442 62.300 -0.088 0.000 0.952 289 V CB 1.214 32.969 31.823 -0.112 0.000 1.019 289 V HN 0.418 nan 8.190 nan 0.000 0.445 290 F N -0.486 119.472 119.950 0.014 0.000 2.668 290 F HA 0.722 5.250 4.527 0.000 0.000 0.309 290 F C -0.595 175.230 175.800 0.042 0.000 1.117 290 F CA -1.229 56.790 58.000 0.032 0.000 0.951 290 F CB 1.289 40.309 39.000 0.033 0.000 1.323 290 F HN 0.551 nan 8.300 nan 0.000 0.451 291 E N 3.258 123.640 120.200 0.303 0.000 2.223 291 E HA 0.192 4.533 4.350 -0.016 0.000 0.282 291 E C -1.923 174.846 176.600 0.281 0.000 1.046 291 E CA -1.717 54.816 56.400 0.222 0.000 0.857 291 E CB 1.043 30.942 29.700 0.332 0.000 1.055 291 E HN 0.390 nan 8.360 nan 0.000 0.409 292 P HA -0.064 nan 4.420 nan 0.000 0.241 292 P C 0.926 178.216 177.300 -0.017 0.000 1.191 292 P CA 0.822 64.071 63.100 0.249 0.000 0.771 292 P CB 0.342 32.149 31.700 0.178 0.000 0.929 293 G N 1.007 109.591 108.800 -0.359 0.000 2.634 293 G HA2 -0.396 3.554 3.960 -0.016 0.000 0.309 293 G HA3 -0.396 3.554 3.960 -0.016 0.000 0.309 293 G C 1.221 175.979 174.900 -0.235 0.000 1.265 293 G CA 0.681 45.358 45.100 -0.705 0.000 0.998 293 G HN 0.281 nan 8.290 nan 0.000 0.551 294 S N 0.348 115.983 115.700 -0.108 0.000 2.465 294 S HA -0.114 4.347 4.470 -0.016 0.000 0.241 294 S C 2.618 177.209 174.600 -0.015 0.000 1.000 294 S CA 2.690 60.874 58.200 -0.028 0.000 0.964 294 S CB -0.806 62.393 63.200 -0.002 0.000 0.763 294 S HN 1.681 nan 8.310 nan 0.000 0.512 295 T N -0.441 114.112 114.554 -0.002 0.000 2.977 295 T HA -0.043 4.297 4.350 -0.016 0.000 0.271 295 T C 1.487 176.315 174.700 0.212 0.000 1.105 295 T CA 1.145 63.284 62.100 0.064 0.000 1.116 295 T CB -0.547 68.342 68.868 0.034 0.000 0.878 295 T HN 0.394 nan 8.240 nan 0.000 0.509 296 V N -2.222 117.784 119.914 0.154 0.000 3.647 296 V HA 0.373 4.484 4.120 -0.016 0.000 0.279 296 V C 2.091 178.251 176.094 0.110 0.000 1.314 296 V CA -0.352 62.105 62.300 0.262 0.000 1.125 296 V CB -0.556 31.381 31.823 0.191 0.000 0.907 296 V HN 0.255 nan 8.190 nan 0.000 0.434 297 K N 1.263 121.665 120.400 0.003 0.000 2.113 297 K HA -0.112 4.199 4.320 -0.016 0.000 0.208 297 K C -0.333 176.173 176.600 -0.157 0.000 1.047 297 K CA 2.091 58.339 56.287 -0.066 0.000 0.928 297 K CB -1.283 31.177 32.500 -0.068 0.000 0.716 297 K HN 0.483 nan 8.250 nan 0.000 0.446 298 P HA -0.137 nan 4.420 nan 0.000 0.218 298 P C 0.830 177.763 177.300 -0.611 0.000 1.149 298 P CA 1.241 64.043 63.100 -0.497 0.000 0.817 298 P CB -0.005 31.240 31.700 -0.760 0.000 0.785 299 F N -0.875 118.969 119.950 -0.177 0.000 2.293 299 F HA -0.060 4.457 4.527 -0.018 0.000 0.297 299 F C 2.400 178.109 175.800 -0.151 0.000 1.089 299 F CA 0.925 58.823 58.000 -0.170 0.000 1.377 299 F CB -1.100 37.798 39.000 -0.170 0.000 1.051 299 F HN -0.165 nan 8.300 nan 0.000 0.511 300 S N 0.174 115.863 115.700 -0.018 0.000 2.368 300 S HA -0.174 4.286 4.470 -0.016 0.000 0.225 300 S C 2.103 176.618 174.600 -0.141 0.000 1.030 300 S CA 1.142 59.286 58.200 -0.093 0.000 0.999 300 S CB -0.263 62.866 63.200 -0.118 0.000 0.844 300 S HN 0.216 nan 8.310 nan 0.000 0.459 301 M N 1.516 121.015 119.600 -0.168 0.000 2.159 301 M HA 0.003 4.473 4.480 -0.016 0.000 0.263 301 M C 2.253 178.476 176.300 -0.128 0.000 1.063 301 M CA 1.057 56.251 55.300 -0.176 0.000 1.110 301 M CB -1.625 30.867 32.600 -0.178 0.000 1.374 301 M HN 0.201 nan 8.290 nan 0.000 0.411 302 S N 0.961 116.586 115.700 -0.126 0.000 2.368 302 S HA -0.077 4.383 4.470 -0.016 0.000 0.225 302 S C 2.091 176.667 174.600 -0.040 0.000 1.030 302 S CA 1.337 59.489 58.200 -0.080 0.000 0.999 302 S CB -0.328 62.832 63.200 -0.066 0.000 0.844 302 S HN 0.578 nan 8.310 nan 0.000 0.459 303 A N 1.567 124.362 122.820 -0.042 0.000 1.902 303 A HA 0.126 4.436 4.320 -0.016 0.000 0.217 303 A C 2.361 179.938 177.584 -0.012 0.000 1.181 303 A CA 1.669 53.689 52.037 -0.029 0.000 0.623 303 A CB -1.094 17.877 19.000 -0.049 0.000 0.818 303 A HN 0.509 nan 8.150 nan 0.000 0.443 304 A N -0.505 122.283 122.820 -0.054 0.000 1.883 304 A HA -0.050 4.261 4.320 -0.016 0.000 0.217 304 A C 2.014 179.680 177.584 0.136 0.000 1.186 304 A CA 1.774 53.800 52.037 -0.017 0.000 0.624 304 A CB -0.546 18.280 19.000 -0.289 0.000 0.822 304 A HN 0.384 nan 8.150 nan 0.000 0.444 305 L N -0.535 120.729 121.223 0.067 0.000 2.017 305 L HA -0.089 4.242 4.340 -0.016 0.000 0.208 305 L C 2.910 179.819 176.870 0.064 0.000 1.073 305 L CA 1.975 56.863 54.840 0.080 0.000 0.745 305 L CB -1.421 40.654 42.059 0.027 0.000 0.894 305 L HN 0.421 nan 8.230 nan 0.000 0.432 306 A N -1.065 121.778 122.820 0.038 0.000 2.119 306 A HA -0.109 4.201 4.320 -0.016 0.000 0.217 306 A C 2.382 179.993 177.584 0.044 0.000 1.153 306 A CA 1.249 53.303 52.037 0.029 0.000 0.692 306 A CB -0.596 18.411 19.000 0.012 0.000 0.799 306 A HN 0.539 nan 8.150 nan 0.000 0.458 307 S N -1.418 114.325 115.700 0.072 0.000 2.474 307 S HA 0.251 4.712 4.470 -0.016 0.000 0.235 307 S C 1.625 176.266 174.600 0.069 0.000 0.997 307 S CA 1.304 59.553 58.200 0.083 0.000 0.949 307 S CB -0.566 62.717 63.200 0.139 0.000 0.766 307 S HN 1.877 nan 8.310 nan 0.000 0.517 308 G N 1.451 110.289 108.800 0.064 0.000 2.179 308 G HA2 -0.297 3.653 3.960 -0.016 0.000 0.260 308 G HA3 -0.297 3.653 3.960 -0.016 0.000 0.260 308 G C 0.911 175.816 174.900 0.009 0.000 0.977 308 G CA 0.408 45.528 45.100 0.033 0.000 0.641 308 G HN 0.579 nan 8.290 nan 0.000 0.533 309 R N -1.700 118.821 120.500 0.034 0.000 2.365 309 R HA 0.317 4.648 4.340 -0.016 0.000 0.223 309 R C -0.110 175.965 176.300 -0.374 0.000 0.899 309 R CA 0.106 56.120 56.100 -0.143 0.000 1.059 309 R CB 0.433 30.657 30.300 -0.127 0.000 1.086 309 R HN 0.391 nan 8.270 nan 0.000 0.522 310 W N 2.123 123.417 121.300 -0.011 0.000 2.839 310 W HA 0.326 4.978 4.660 -0.014 0.000 0.334 310 W C -0.492 176.017 176.519 -0.016 0.000 1.064 310 W CA -0.905 56.432 57.345 -0.013 0.000 1.236 310 W CB 1.183 30.632 29.460 -0.019 0.000 1.405 310 W HN -0.211 nan 8.180 nan 0.000 0.478 311 K N 2.154 122.662 120.400 0.180 0.000 2.166 311 K HA 0.621 4.932 4.320 -0.016 0.000 0.245 311 K C -2.249 174.432 176.600 0.135 0.000 0.967 311 K CA -1.661 54.695 56.287 0.114 0.000 0.863 311 K CB 2.198 34.728 32.500 0.050 0.000 1.107 311 K HN -0.024 nan 8.250 nan 0.000 0.436 312 P HA -0.228 nan 4.420 nan 0.000 0.216 312 P C 1.002 178.344 177.300 0.071 0.000 1.150 312 P CA 1.576 64.713 63.100 0.062 0.000 0.843 312 P CB 0.068 31.788 31.700 0.032 0.000 0.787 313 S N -2.862 112.877 115.700 0.065 0.000 2.593 313 S HA 0.028 4.489 4.470 -0.016 0.000 0.217 313 S C 0.683 175.330 174.600 0.079 0.000 0.966 313 S CA -0.158 58.076 58.200 0.057 0.000 0.914 313 S CB -0.808 62.413 63.200 0.035 0.000 0.776 313 S HN 0.000 nan 8.310 nan 0.000 0.523 314 D N 1.830 122.307 120.400 0.127 0.000 2.382 314 D HA 0.276 4.907 4.640 -0.016 0.000 0.240 314 D C 0.001 176.430 176.300 0.216 0.000 1.146 314 D CA -0.024 54.074 54.000 0.162 0.000 0.897 314 D CB 0.562 41.495 40.800 0.221 0.000 1.197 314 D HN 0.122 nan 8.370 nan 0.000 0.432 315 I N 1.374 122.058 120.570 0.190 0.000 2.577 315 I HA 0.303 4.464 4.170 -0.016 0.000 0.305 315 I C 0.112 176.373 176.117 0.241 0.000 0.986 315 I CA -0.783 60.617 61.300 0.165 0.000 1.189 315 I CB 1.621 39.678 38.000 0.096 0.000 1.355 315 I HN 0.002 nan 8.210 nan 0.000 0.476 316 V N 3.834 123.845 119.914 0.161 0.000 2.638 316 V HA 0.285 4.395 4.120 -0.016 0.000 0.306 316 V C -0.577 175.572 176.094 0.093 0.000 1.052 316 V CA -0.874 61.513 62.300 0.144 0.000 0.885 316 V CB 2.240 34.105 31.823 0.070 0.000 0.999 316 V HN 0.649 nan 8.190 nan 0.000 0.424 317 D N 3.204 123.664 120.400 0.099 0.000 2.339 317 D HA 0.256 4.887 4.640 -0.016 0.000 0.241 317 D C 0.611 176.969 176.300 0.096 0.000 1.183 317 D CA -0.071 53.985 54.000 0.093 0.000 0.859 317 D CB 1.860 42.717 40.800 0.094 0.000 1.067 317 D HN 0.448 nan 8.370 nan 0.000 0.484 318 V N 3.113 123.082 119.914 0.093 0.000 3.578 318 V HA 0.288 4.399 4.120 -0.016 0.000 0.290 318 V C 0.562 176.714 176.094 0.095 0.000 1.376 318 V CA -0.649 61.693 62.300 0.071 0.000 1.083 318 V CB -1.389 30.450 31.823 0.026 0.000 0.911 318 V HN 0.432 nan 8.190 nan 0.000 0.433 319 Y N 4.078 124.386 120.300 0.013 0.000 2.702 319 Y HA 0.397 4.938 4.550 -0.015 0.000 0.336 319 Y C -1.578 174.332 175.900 0.017 0.000 1.235 319 Y CA -1.230 56.877 58.100 0.012 0.000 1.492 319 Y CB 1.136 39.604 38.460 0.013 0.000 1.308 319 Y HN 0.199 nan 8.280 nan 0.000 0.589 320 P HA 0.238 nan 4.420 nan 0.000 0.231 320 P C 0.262 177.362 177.300 -0.333 0.000 1.833 320 P CA 0.658 63.219 63.100 -0.897 0.000 1.023 320 P CB 0.138 31.171 31.700 -1.112 0.000 1.643 321 G N -0.020 108.686 108.800 -0.156 0.000 2.157 321 G HA2 -0.201 3.749 3.960 -0.016 0.000 0.248 321 G HA3 -0.201 3.749 3.960 -0.016 0.000 0.248 321 G C 0.188 175.035 174.900 -0.087 0.000 0.979 321 G CA 0.360 45.402 45.100 -0.096 0.000 0.650 321 G HN 0.718 nan 8.290 nan 0.000 0.529 322 T N -2.195 112.307 114.554 -0.086 0.000 2.901 322 T HA 0.789 5.129 4.350 -0.016 0.000 0.293 322 T C -0.771 173.923 174.700 -0.010 0.000 1.084 322 T CA -0.805 61.267 62.100 -0.048 0.000 1.008 322 T CB 2.965 71.803 68.868 -0.051 0.000 1.170 322 T HN 0.924 nan 8.240 nan 0.000 0.509 323 L N 1.464 122.705 121.223 0.031 0.000 2.516 323 L HA 0.459 4.790 4.340 -0.016 0.000 0.267 323 L C -1.295 175.638 176.870 0.105 0.000 0.957 323 L CA -0.692 54.195 54.840 0.078 0.000 0.860 323 L CB 2.269 44.395 42.059 0.112 0.000 1.265 323 L HN 0.885 nan 8.230 nan 0.000 0.403 324 Q N 4.514 124.370 119.800 0.094 0.000 2.307 324 Q HA 0.411 4.742 4.340 -0.016 0.000 0.259 324 Q C -1.131 174.943 176.000 0.123 0.000 0.998 324 Q CA 0.061 55.920 55.803 0.094 0.000 0.923 324 Q CB 0.729 29.501 28.738 0.056 0.000 1.196 324 Q HN 0.420 nan 8.270 nan 0.000 0.416 325 I N 5.252 125.920 120.570 0.163 0.000 2.390 325 I HA 0.389 4.549 4.170 -0.016 0.000 0.283 325 I C 1.114 177.339 176.117 0.179 0.000 1.016 325 I CA 0.198 61.607 61.300 0.181 0.000 1.151 325 I CB 0.108 38.267 38.000 0.265 0.000 1.293 325 I HN 0.895 nan 8.210 nan 0.000 0.458 326 G N 7.943 116.790 108.800 0.078 0.000 2.651 326 G HA2 -0.390 3.561 3.960 -0.016 0.000 0.315 326 G HA3 -0.390 3.561 3.960 -0.016 0.000 0.315 326 G C 1.188 176.025 174.900 -0.104 0.000 1.258 326 G CA 0.979 46.078 45.100 -0.003 0.000 1.002 326 G HN 0.800 nan 8.290 nan 0.000 0.551 327 R N -0.219 120.075 120.500 -0.343 0.000 2.236 327 R HA 0.201 4.531 4.340 -0.016 0.000 0.208 327 R C 0.653 176.741 176.300 -0.354 0.000 1.036 327 R CA 1.109 56.958 56.100 -0.419 0.000 1.001 327 R CB -0.198 29.746 30.300 -0.595 0.000 0.896 327 R HN 0.513 nan 8.270 nan 0.000 0.464 328 Y N 0.967 121.291 120.300 0.041 0.000 2.320 328 Y HA 0.364 4.904 4.550 -0.016 0.000 0.324 328 Y C 0.045 175.980 175.900 0.060 0.000 1.190 328 Y CA -0.873 57.259 58.100 0.054 0.000 1.215 328 Y CB 1.602 40.106 38.460 0.073 0.000 1.221 328 Y HN -0.196 nan 8.280 nan 0.000 0.486 329 T N 4.069 118.748 114.554 0.209 0.000 2.815 329 T HA 0.480 4.820 4.350 -0.016 0.000 0.289 329 T C -0.190 174.583 174.700 0.120 0.000 1.000 329 T CA -0.612 61.567 62.100 0.132 0.000 0.958 329 T CB 0.244 69.154 68.868 0.070 0.000 0.944 329 T HN 0.383 nan 8.240 nan 0.000 0.442 330 I N 3.607 124.249 120.570 0.119 0.000 2.529 330 I HA 0.343 4.504 4.170 -0.016 0.000 0.284 330 I C 0.744 176.853 176.117 -0.012 0.000 1.082 330 I CA -0.132 61.206 61.300 0.064 0.000 1.406 330 I CB 0.559 38.617 38.000 0.097 0.000 1.405 330 I HN 0.314 nan 8.210 nan 0.000 0.548 331 R N 4.322 124.778 120.500 -0.074 0.000 2.575 331 R HA 0.361 4.691 4.340 -0.016 0.000 0.293 331 R C -1.437 174.791 176.300 -0.120 0.000 0.983 331 R CA -0.989 55.064 56.100 -0.079 0.000 0.887 331 R CB 1.903 32.171 30.300 -0.053 0.000 1.184 331 R HN 0.483 nan 8.270 nan 0.000 0.445 332 D N 1.406 121.744 120.400 -0.102 0.000 2.313 332 D HA 0.002 4.633 4.640 -0.016 0.000 0.247 332 D C 0.934 177.186 176.300 -0.080 0.000 1.094 332 D CA -0.273 53.667 54.000 -0.100 0.000 0.925 332 D CB 2.122 42.873 40.800 -0.081 0.000 1.188 332 D HN 0.170 nan 8.370 nan 0.000 0.430 333 V N 1.263 121.133 119.914 -0.073 0.000 2.379 333 V HA -0.078 4.033 4.120 -0.016 0.000 0.245 333 V C 0.807 176.853 176.094 -0.080 0.000 1.044 333 V CA 1.417 63.673 62.300 -0.073 0.000 1.036 333 V CB 0.285 32.066 31.823 -0.070 0.000 0.664 333 V HN 0.438 nan 8.190 nan 0.000 0.453 334 S N 0.545 116.204 115.700 -0.070 0.000 2.422 334 S HA 0.470 4.931 4.470 -0.016 0.000 0.298 334 S C 0.256 174.827 174.600 -0.047 0.000 1.118 334 S CA -0.672 57.493 58.200 -0.059 0.000 1.083 334 S CB 0.208 63.379 63.200 -0.048 0.000 0.971 334 S HN 0.581 nan 8.310 nan 0.000 0.478 335 R N 3.908 124.381 120.500 -0.045 0.000 2.997 335 R HA 0.296 4.627 4.340 -0.016 0.000 0.358 335 R C -0.597 175.692 176.300 -0.017 0.000 1.191 335 R CA -0.276 55.797 56.100 -0.044 0.000 1.113 335 R CB 0.066 30.325 30.300 -0.069 0.000 1.433 335 R HN 0.400 nan 8.270 nan 0.000 0.584 336 N N 0.296 118.999 118.700 0.005 0.000 2.541 336 N HA 0.158 4.889 4.740 -0.016 0.000 0.297 336 N C -1.067 174.477 175.510 0.056 0.000 1.503 336 N CA 0.013 53.084 53.050 0.036 0.000 0.919 336 N CB 1.416 39.915 38.487 0.020 0.000 1.305 336 N HN 0.003 nan 8.380 nan 0.000 0.501 337 S N -0.571 115.172 115.700 0.072 0.000 2.568 337 S HA 0.519 4.980 4.470 -0.016 0.000 0.293 337 S C 0.777 175.460 174.600 0.138 0.000 1.089 337 S CA -0.673 57.573 58.200 0.077 0.000 0.945 337 S CB 3.220 66.444 63.200 0.041 0.000 1.077 337 S HN 0.329 nan 8.310 nan 0.000 0.485 338 R N 1.019 121.583 120.500 0.107 0.000 1.963 338 R HA 0.315 4.645 4.340 -0.016 0.000 0.144 338 R C -0.492 175.854 176.300 0.076 0.000 2.032 338 R CA -0.089 56.079 56.100 0.114 0.000 1.626 338 R CB -0.124 30.194 30.300 0.031 0.000 1.334 338 R HN 0.634 nan 8.270 nan 0.000 0.480 339 Q N 1.323 121.151 119.800 0.047 0.000 2.286 339 Q HA 0.364 4.695 4.340 -0.016 0.000 0.257 339 Q C -1.066 174.958 176.000 0.040 0.000 0.941 339 Q CA 0.048 55.879 55.803 0.046 0.000 0.912 339 Q CB 1.640 30.400 28.738 0.037 0.000 1.192 339 Q HN 0.313 nan 8.270 nan 0.000 0.410 340 L N 2.457 123.705 121.223 0.041 0.000 2.386 340 L HA 0.368 4.699 4.340 -0.016 0.000 0.271 340 L C -0.368 176.526 176.870 0.039 0.000 0.993 340 L CA -1.120 53.737 54.840 0.029 0.000 0.819 340 L CB 1.824 43.890 42.059 0.012 0.000 1.294 340 L HN 0.702 nan 8.230 nan 0.000 0.414 341 D N 1.642 122.063 120.400 0.035 0.000 2.433 341 D HA 0.192 4.823 4.640 -0.016 0.000 0.255 341 D C 1.086 177.398 176.300 0.019 0.000 1.226 341 D CA -0.545 53.484 54.000 0.049 0.000 1.015 341 D CB 0.804 41.632 40.800 0.048 0.000 1.091 341 D HN 0.344 nan 8.370 nan 0.000 0.527 342 L N -0.977 120.259 121.223 0.022 0.000 2.079 342 L HA -0.165 4.166 4.340 -0.016 0.000 0.210 342 L C 2.260 179.105 176.870 -0.040 0.000 1.081 342 L CA 1.617 56.438 54.840 -0.032 0.000 0.752 342 L CB -0.916 41.128 42.059 -0.025 0.000 0.896 342 L HN 0.499 nan 8.230 nan 0.000 0.433 343 T N -0.129 114.415 114.554 -0.017 0.000 2.746 343 T HA -0.113 4.228 4.350 -0.016 0.000 0.267 343 T C 1.865 176.554 174.700 -0.019 0.000 1.039 343 T CA 1.353 63.442 62.100 -0.019 0.000 1.142 343 T CB -0.480 68.385 68.868 -0.005 0.000 0.866 343 T HN 0.563 nan 8.240 nan 0.000 0.444 344 G N 1.116 109.910 108.800 -0.010 0.000 2.422 344 G HA2 -0.114 3.836 3.960 -0.016 0.000 0.218 344 G HA3 -0.114 3.836 3.960 -0.016 0.000 0.218 344 G C 1.526 176.413 174.900 -0.021 0.000 1.146 344 G CA 0.348 45.444 45.100 -0.008 0.000 0.769 344 G HN 0.481 nan 8.290 nan 0.000 0.547 345 I N 0.379 120.927 120.570 -0.036 0.000 2.208 345 I HA -0.155 4.006 4.170 -0.016 0.000 0.245 345 I C 2.673 178.756 176.117 -0.057 0.000 1.097 345 I CA 0.741 62.007 61.300 -0.056 0.000 1.363 345 I CB -0.124 37.822 38.000 -0.090 0.000 1.051 345 I HN 0.147 nan 8.210 nan 0.000 0.413 346 L N 0.106 121.294 121.223 -0.058 0.000 2.027 346 L HA -0.193 4.137 4.340 -0.016 0.000 0.206 346 L C 2.534 179.381 176.870 -0.038 0.000 1.074 346 L CA 1.419 56.225 54.840 -0.057 0.000 0.745 346 L CB -0.519 41.499 42.059 -0.068 0.000 0.898 346 L HN 0.201 nan 8.230 nan 0.000 0.433 347 I N -0.031 120.524 120.570 -0.025 0.000 2.163 347 I HA -0.277 3.884 4.170 -0.016 0.000 0.243 347 I C 2.106 178.217 176.117 -0.010 0.000 1.085 347 I CA 1.304 62.598 61.300 -0.009 0.000 1.347 347 I CB -0.268 37.733 38.000 0.002 0.000 1.044 347 I HN 0.216 nan 8.210 nan 0.000 0.408 348 K N 0.636 121.025 120.400 -0.017 0.000 2.444 348 K HA 0.155 4.465 4.320 -0.016 0.000 0.193 348 K C 0.566 177.148 176.600 -0.030 0.000 1.024 348 K CA 0.175 56.449 56.287 -0.021 0.000 1.077 348 K CB 0.015 32.503 32.500 -0.020 0.000 0.833 348 K HN 0.160 nan 8.250 nan 0.000 0.517 349 S N 1.348 117.030 115.700 -0.030 0.000 3.477 349 S HA -0.157 4.303 4.470 -0.016 0.000 0.371 349 S C 0.201 174.770 174.600 -0.052 0.000 0.965 349 S CA 0.632 58.812 58.200 -0.034 0.000 1.239 349 S CB -1.433 61.757 63.200 -0.015 0.000 0.918 349 S HN 0.389 nan 8.310 nan 0.000 0.498 350 S N 1.062 116.727 115.700 -0.059 0.000 2.414 350 S HA 0.215 4.676 4.470 -0.016 0.000 0.290 350 S C 1.401 175.941 174.600 -0.100 0.000 1.160 350 S CA -0.776 57.378 58.200 -0.075 0.000 1.069 350 S CB 0.188 63.352 63.200 -0.060 0.000 1.012 350 S HN 0.465 nan 8.310 nan 0.000 0.510 351 N N 4.360 122.961 118.700 -0.165 0.000 2.104 351 N HA -0.119 4.612 4.740 -0.016 0.000 0.190 351 N C 1.818 177.240 175.510 -0.147 0.000 1.024 351 N CA 1.123 54.008 53.050 -0.276 0.000 0.853 351 N CB -0.627 37.450 38.487 -0.685 0.000 1.008 351 N HN 0.481 nan 8.380 nan 0.000 0.424 352 V N 1.054 120.894 119.914 -0.123 0.000 2.287 352 V HA -0.201 3.909 4.120 -0.016 0.000 0.248 352 V C 2.469 178.510 176.094 -0.089 0.000 1.053 352 V CA 2.152 64.410 62.300 -0.071 0.000 1.027 352 V CB -1.310 30.488 31.823 -0.041 0.000 0.646 352 V HN 0.371 nan 8.190 nan 0.000 0.447 353 G N -0.404 108.343 108.800 -0.089 0.000 2.433 353 G HA2 -0.257 3.694 3.960 -0.016 0.000 0.216 353 G HA3 -0.257 3.694 3.960 -0.016 0.000 0.216 353 G C 1.560 176.349 174.900 -0.185 0.000 1.186 353 G CA 1.067 46.101 45.100 -0.110 0.000 0.779 353 G HN 0.439 nan 8.290 nan 0.000 0.543 354 I N 1.167 121.639 120.570 -0.163 0.000 2.394 354 I HA -0.048 4.113 4.170 -0.016 0.000 0.251 354 I C 2.808 178.767 176.117 -0.263 0.000 1.136 354 I CA 1.085 62.264 61.300 -0.201 0.000 1.425 354 I CB -0.212 37.724 38.000 -0.107 0.000 1.079 354 I HN 0.085 nan 8.210 nan 0.000 0.425 355 S N 0.393 115.944 115.700 -0.248 0.000 2.356 355 S HA -0.183 4.277 4.470 -0.016 0.000 0.223 355 S C 1.953 175.972 174.600 -0.968 0.000 1.032 355 S CA 1.286 59.166 58.200 -0.533 0.000 1.005 355 S CB -0.255 62.733 63.200 -0.353 0.000 0.867 355 S HN 0.451 nan 8.310 nan 0.000 0.449 356 K N 0.740 120.811 120.400 -0.548 0.000 2.097 356 K HA 0.017 4.328 4.320 -0.016 0.000 0.206 356 K C 1.958 178.435 176.600 -0.205 0.000 1.049 356 K CA 1.033 57.141 56.287 -0.300 0.000 0.933 356 K CB -0.326 32.151 32.500 -0.038 0.000 0.717 356 K HN 0.353 nan 8.250 nan 0.000 0.442 357 I N 1.009 121.365 120.570 -0.357 0.000 2.202 357 I HA -0.265 3.896 4.170 -0.016 0.000 0.242 357 I C 2.537 178.490 176.117 -0.272 0.000 1.091 357 I CA 1.035 62.032 61.300 -0.506 0.000 1.368 357 I CB -0.407 37.077 38.000 -0.861 0.000 1.058 357 I HN 0.131 nan 8.210 nan 0.000 0.410 358 A N 1.032 123.671 122.820 -0.302 0.000 1.908 358 A HA -0.210 4.100 4.320 -0.016 0.000 0.218 358 A C 2.050 179.652 177.584 0.030 0.000 1.181 358 A CA 1.551 53.477 52.037 -0.185 0.000 0.627 358 A CB -0.865 17.989 19.000 -0.244 0.000 0.818 358 A HN 0.330 nan 8.150 nan 0.000 0.445 359 F N 0.233 120.184 119.950 0.002 0.000 2.161 359 F HA -0.132 4.386 4.527 -0.015 0.000 0.300 359 F C 2.037 177.884 175.800 0.079 0.000 1.089 359 F CA 1.152 59.177 58.000 0.041 0.000 1.282 359 F CB -1.205 37.831 39.000 0.060 0.000 1.010 359 F HN 0.443 nan 8.300 nan 0.000 0.485 360 D N 0.400 120.982 120.400 0.303 0.000 2.123 360 D HA -0.125 4.506 4.640 -0.016 0.000 0.200 360 D C 1.977 178.431 176.300 0.257 0.000 0.976 360 D CA 1.278 55.467 54.000 0.315 0.000 0.831 360 D CB -0.082 41.032 40.800 0.524 0.000 0.974 360 D HN 0.369 nan 8.370 nan 0.000 0.469 361 I N -3.635 117.061 120.570 0.211 0.000 3.783 361 I HA 0.402 4.563 4.170 -0.016 0.000 0.310 361 I C 0.817 176.981 176.117 0.077 0.000 1.274 361 I CA 0.184 61.577 61.300 0.155 0.000 1.294 361 I CB 0.010 38.089 38.000 0.131 0.000 1.051 361 I HN 0.075 nan 8.210 nan 0.000 0.435 362 G N 1.295 110.133 108.800 0.064 0.000 2.777 362 G HA2 -0.061 3.889 3.960 -0.016 0.000 0.686 362 G HA3 -0.061 3.889 3.960 -0.016 0.000 0.686 362 G C 0.426 175.260 174.900 -0.110 0.000 1.177 362 G CA -0.303 44.811 45.100 0.022 0.000 0.775 362 G HN 0.573 nan 8.290 nan 0.000 0.613 363 A N 0.604 123.279 122.820 -0.241 0.000 2.067 363 A HA 0.127 4.437 4.320 -0.016 0.000 0.219 363 A C 2.020 179.124 177.584 -0.800 0.000 1.158 363 A CA 2.146 53.781 52.037 -0.669 0.000 0.661 363 A CB -0.277 17.974 19.000 -1.248 0.000 0.801 363 A HN 1.125 nan 8.150 nan 0.000 0.452 364 E N 0.821 120.752 120.200 -0.448 0.000 2.058 364 E HA -0.228 4.113 4.350 -0.016 0.000 0.194 364 E C 2.176 178.751 176.600 -0.042 0.000 0.997 364 E CA 1.906 58.213 56.400 -0.155 0.000 0.801 364 E CB -0.151 29.606 29.700 0.095 0.000 0.746 364 E HN 0.737 nan 8.360 nan 0.000 0.450 365 S N 0.312 115.979 115.700 -0.054 0.000 2.382 365 S HA -0.157 4.303 4.470 -0.016 0.000 0.228 365 S C 2.075 176.644 174.600 -0.051 0.000 1.027 365 S CA 1.188 59.376 58.200 -0.020 0.000 0.991 365 S CB -0.548 62.647 63.200 -0.009 0.000 0.823 365 S HN 0.343 nan 8.310 nan 0.000 0.469 366 I N 0.275 120.772 120.570 -0.121 0.000 2.202 366 I HA -0.116 4.045 4.170 -0.016 0.000 0.242 366 I C 2.558 178.610 176.117 -0.108 0.000 1.091 366 I CA 1.737 62.959 61.300 -0.131 0.000 1.368 366 I CB -0.549 37.333 38.000 -0.196 0.000 1.058 366 I HN 0.309 nan 8.210 nan 0.000 0.410 367 Y N 1.232 121.384 120.300 -0.246 0.000 2.165 367 Y HA -0.350 4.190 4.550 -0.016 0.000 0.286 367 Y C 2.893 178.766 175.900 -0.046 0.000 1.155 367 Y CA 2.017 60.048 58.100 -0.115 0.000 1.164 367 Y CB -0.362 38.075 38.460 -0.037 0.000 0.978 367 Y HN 0.103 nan 8.280 nan 0.000 0.513 368 S N -0.872 114.835 115.700 0.011 0.000 2.368 368 S HA -0.169 4.291 4.470 -0.016 0.000 0.225 368 S C 2.003 176.512 174.600 -0.152 0.000 1.030 368 S CA 1.585 59.758 58.200 -0.045 0.000 0.999 368 S CB -0.848 62.393 63.200 0.069 0.000 0.844 368 S HN 0.329 nan 8.310 nan 0.000 0.459 369 V N 2.093 121.937 119.914 -0.117 0.000 2.307 369 V HA -0.151 3.959 4.120 -0.016 0.000 0.245 369 V C 2.514 178.487 176.094 -0.201 0.000 1.045 369 V CA 2.141 64.379 62.300 -0.104 0.000 1.024 369 V CB -0.626 31.183 31.823 -0.024 0.000 0.651 369 V HN 0.530 nan 8.190 nan 0.000 0.449 370 M N -0.682 118.764 119.600 -0.257 0.000 2.159 370 M HA -0.230 4.240 4.480 -0.016 0.000 0.263 370 M C 2.365 178.427 176.300 -0.397 0.000 1.063 370 M CA 1.810 56.895 55.300 -0.358 0.000 1.110 370 M CB -0.489 31.939 32.600 -0.286 0.000 1.374 370 M HN 0.377 nan 8.290 nan 0.000 0.411 371 Q N 0.640 120.157 119.800 -0.471 0.000 2.079 371 Q HA -0.203 4.127 4.340 -0.016 0.000 0.200 371 Q C 1.843 177.686 176.000 -0.263 0.000 0.974 371 Q CA 1.544 57.093 55.803 -0.424 0.000 0.840 371 Q CB -0.027 28.358 28.738 -0.590 0.000 0.898 371 Q HN 0.595 nan 8.270 nan 0.000 0.430 372 Q N -0.135 119.530 119.800 -0.226 0.000 2.167 372 Q HA -0.106 4.224 4.340 -0.016 0.000 0.202 372 Q C 2.007 177.898 176.000 -0.182 0.000 0.970 372 Q CA 1.571 57.280 55.803 -0.158 0.000 0.855 372 Q CB 0.093 28.762 28.738 -0.115 0.000 0.911 372 Q HN 0.432 nan 8.270 nan 0.000 0.438 373 V N -3.871 115.893 119.914 -0.250 0.000 3.573 373 V HA 0.319 4.430 4.120 -0.016 0.000 0.270 373 V C 1.082 176.992 176.094 -0.307 0.000 1.221 373 V CA 0.923 63.037 62.300 -0.310 0.000 1.163 373 V CB -0.252 31.320 31.823 -0.418 0.000 0.847 373 V HN 0.401 nan 8.190 nan 0.000 0.468 374 G N 0.276 108.932 108.800 -0.240 0.000 2.159 374 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.227 374 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.227 374 G C -0.136 174.666 174.900 -0.163 0.000 0.986 374 G CA 0.054 45.064 45.100 -0.150 0.000 0.651 374 G HN 0.556 nan 8.290 nan 0.000 0.523 375 L N 0.608 121.681 121.223 -0.249 0.000 2.410 375 L HA 0.469 4.800 4.340 -0.016 0.000 0.273 375 L C 1.765 178.531 176.870 -0.174 0.000 1.144 375 L CA 0.901 55.604 54.840 -0.229 0.000 0.863 375 L CB 0.821 42.699 42.059 -0.301 0.000 1.140 375 L HN 0.970 nan 8.230 nan 0.000 0.463 376 G N 1.751 110.469 108.800 -0.138 0.000 2.179 376 G HA2 -0.214 3.736 3.960 -0.016 0.000 0.257 376 G HA3 -0.214 3.736 3.960 -0.016 0.000 0.257 376 G C 0.180 175.034 174.900 -0.076 0.000 1.010 376 G CA -0.136 44.905 45.100 -0.099 0.000 0.736 376 G HN 0.542 nan 8.290 nan 0.000 0.513 377 Q N -0.332 119.418 119.800 -0.083 0.000 2.297 377 Q HA 0.461 4.792 4.340 -0.016 0.000 0.269 377 Q C -0.591 175.382 176.000 -0.045 0.000 1.051 377 Q CA -0.911 54.856 55.803 -0.060 0.000 0.869 377 Q CB 1.271 29.966 28.738 -0.072 0.000 1.346 377 Q HN 0.192 nan 8.270 nan 0.000 0.457 378 D N 1.157 121.538 120.400 -0.032 0.000 2.619 378 D HA 0.049 4.679 4.640 -0.016 0.000 0.224 378 D C 0.287 176.574 176.300 -0.022 0.000 1.133 378 D CA -0.058 53.926 54.000 -0.027 0.000 1.017 378 D CB -0.061 40.727 40.800 -0.020 0.000 1.077 378 D HN 0.502 nan 8.370 nan 0.000 0.503 379 T N -0.777 113.762 114.554 -0.024 0.000 3.206 379 T HA 0.307 4.647 4.350 -0.016 0.000 0.253 379 T C 1.163 175.829 174.700 -0.057 0.000 1.042 379 T CA -0.432 61.657 62.100 -0.019 0.000 0.931 379 T CB -0.002 68.883 68.868 0.028 0.000 1.029 379 T HN 0.211 nan 8.240 nan 0.000 0.564 380 G N 1.269 110.039 108.800 -0.049 0.000 2.460 380 G HA2 0.278 4.229 3.960 -0.016 0.000 0.230 380 G HA3 0.278 4.229 3.960 -0.016 0.000 0.230 380 G C 0.409 175.286 174.900 -0.038 0.000 1.248 380 G CA -0.418 44.651 45.100 -0.052 0.000 0.863 380 G HN 0.487 nan 8.290 nan 0.000 0.549 381 L N 1.356 122.558 121.223 -0.034 0.000 2.607 381 L HA 0.323 4.654 4.340 -0.016 0.000 0.228 381 L C 1.930 178.917 176.870 0.195 0.000 1.123 381 L CA 0.853 55.721 54.840 0.047 0.000 0.890 381 L CB 0.112 42.150 42.059 -0.035 0.000 1.103 381 L HN 0.971 nan 8.230 nan 0.000 0.468 382 G N -0.747 108.146 108.800 0.155 0.000 2.149 382 G HA2 -0.282 3.669 3.960 -0.016 0.000 0.235 382 G HA3 -0.282 3.669 3.960 -0.016 0.000 0.235 382 G C -0.077 174.945 174.900 0.202 0.000 1.018 382 G CA -0.605 44.561 45.100 0.110 0.000 0.728 382 G HN 0.084 nan 8.290 nan 0.000 0.508 383 F N 1.221 121.142 119.950 -0.048 0.000 2.438 383 F HA 0.410 4.928 4.527 -0.016 0.000 0.360 383 F C -1.421 174.356 175.800 -0.039 0.000 1.118 383 F CA -2.897 55.084 58.000 -0.032 0.000 1.164 383 F CB 0.724 39.721 39.000 -0.005 0.000 1.131 383 F HN -0.105 nan 8.300 nan 0.000 0.527 384 P HA 0.146 nan 4.420 nan 0.000 0.262 384 P C 0.863 178.193 177.300 0.050 0.000 1.182 384 P CA 1.122 64.237 63.100 0.024 0.000 0.761 384 P CB 0.600 32.284 31.700 -0.027 0.000 0.795 385 G N 1.762 110.584 108.800 0.036 0.000 2.241 385 G HA2 -0.226 3.724 3.960 -0.016 0.000 0.244 385 G HA3 -0.226 3.724 3.960 -0.016 0.000 0.244 385 G C 0.122 175.046 174.900 0.040 0.000 0.998 385 G CA 0.148 45.267 45.100 0.033 0.000 0.621 385 G HN 0.710 nan 8.290 nan 0.000 0.519 386 E N 1.111 121.348 120.200 0.061 0.000 2.452 386 E HA 0.437 4.777 4.350 -0.016 0.000 0.261 386 E C 0.224 176.822 176.600 -0.003 0.000 0.987 386 E CA -0.180 56.236 56.400 0.027 0.000 0.926 386 E CB 0.657 30.364 29.700 0.011 0.000 0.934 386 E HN 0.263 nan 8.360 nan 0.000 0.452 387 R N 2.068 122.555 120.500 -0.021 0.000 2.500 387 R HA 0.196 4.527 4.340 -0.016 0.000 0.275 387 R C 0.525 176.794 176.300 -0.051 0.000 1.051 387 R CA -0.426 55.654 56.100 -0.033 0.000 1.088 387 R CB 1.440 31.716 30.300 -0.038 0.000 1.063 387 R HN 0.535 nan 8.270 nan 0.000 0.511 388 V N 1.108 120.992 119.914 -0.050 0.000 3.431 388 V HA 0.255 4.366 4.120 -0.016 0.000 0.253 388 V C 1.138 177.187 176.094 -0.075 0.000 1.184 388 V CA 1.000 63.266 62.300 -0.057 0.000 1.104 388 V CB -0.549 31.249 31.823 -0.041 0.000 0.799 388 V HN 1.077 nan 8.190 nan 0.000 0.462 389 G N 1.180 109.934 108.800 -0.077 0.000 2.645 389 G HA2 -0.293 3.658 3.960 -0.016 0.000 0.239 389 G HA3 -0.293 3.658 3.960 -0.016 0.000 0.239 389 G C -0.293 174.571 174.900 -0.059 0.000 1.331 389 G CA 0.251 45.297 45.100 -0.090 0.000 0.890 389 G HN 0.582 nan 8.290 nan 0.000 0.572 390 N N -1.211 117.458 118.700 -0.051 0.000 2.455 390 N HA 0.441 5.172 4.740 -0.016 0.000 0.285 390 N C -1.702 173.812 175.510 0.007 0.000 1.080 390 N CA -0.723 52.315 53.050 -0.018 0.000 0.932 390 N CB 1.543 40.023 38.487 -0.011 0.000 1.610 390 N HN 0.810 nan 8.380 nan 0.000 0.493 391 L N 5.277 126.525 121.223 0.042 0.000 2.356 391 L HA 0.600 4.931 4.340 -0.016 0.000 0.264 391 L C -2.578 174.432 176.870 0.233 0.000 1.029 391 L CA -1.696 53.217 54.840 0.121 0.000 0.897 391 L CB 0.779 42.871 42.059 0.054 0.000 1.256 391 L HN 0.406 nan 8.230 nan 0.000 0.444 392 P HA 0.120 nan 4.420 nan 0.000 0.267 392 P C -0.742 176.575 177.300 0.028 0.000 1.209 392 P CA 0.085 63.185 63.100 0.000 0.000 0.763 392 P CB 0.395 31.995 31.700 -0.167 0.000 0.816 393 N N 2.490 121.091 118.700 -0.165 0.000 2.663 393 N HA -0.005 4.726 4.740 -0.016 0.000 0.250 393 N C 0.858 175.969 175.510 -0.665 0.000 1.129 393 N CA 0.082 52.851 53.050 -0.468 0.000 0.995 393 N CB -0.367 37.855 38.487 -0.441 0.000 1.324 393 N HN 0.369 nan 8.380 nan 0.000 0.512 394 H N 2.492 120.914 119.070 -1.080 0.000 2.521 394 H HA -0.031 4.516 4.556 -0.016 0.000 0.286 394 H C 0.843 175.507 175.328 -1.107 0.000 1.034 394 H CA 0.833 56.142 56.048 -1.232 0.000 1.278 394 H CB 0.631 29.308 29.762 -1.810 0.000 1.386 394 H HN 0.528 nan 8.280 nan 0.000 0.567 395 R N -0.996 118.839 120.500 -1.108 0.000 1.680 395 R HA -0.157 4.174 4.340 -0.016 0.000 0.092 395 R C -0.160 176.023 176.300 -0.195 0.000 0.930 395 R CA 1.991 57.822 56.100 -0.448 0.000 1.943 395 R CB -0.618 29.524 30.300 -0.262 0.000 0.490 395 R HN 0.088 nan 8.270 nan 0.000 0.707 396 K N 0.141 120.378 120.400 -0.271 0.000 2.463 396 K HA 0.282 4.593 4.320 -0.016 0.000 0.255 396 K C -0.973 175.600 176.600 -0.045 0.000 0.942 396 K CA -0.222 56.076 56.287 0.018 0.000 0.814 396 K CB 1.450 33.956 32.500 0.008 0.000 1.122 396 K HN 0.112 nan 8.250 nan 0.000 0.425 397 W N 3.693 124.980 121.300 -0.023 0.000 2.478 397 W HA 0.273 4.923 4.660 -0.017 0.000 0.318 397 W C -2.044 174.434 176.519 -0.067 0.000 1.062 397 W CA -1.605 55.687 57.345 -0.089 0.000 1.210 397 W CB 1.425 30.833 29.460 -0.087 0.000 1.325 397 W HN 0.296 nan 8.180 nan 0.000 0.496 398 P HA 0.138 nan 4.420 nan 0.000 0.275 398 P C 0.913 178.253 177.300 0.066 0.000 1.266 398 P CA -0.077 63.053 63.100 0.050 0.000 0.793 398 P CB 1.252 32.957 31.700 0.007 0.000 1.074 399 K N 0.186 120.577 120.400 -0.014 0.000 2.020 399 K HA -0.211 4.100 4.320 -0.016 0.000 0.212 399 K C 2.010 178.699 176.600 0.149 0.000 1.050 399 K CA 2.072 58.322 56.287 -0.061 0.000 0.929 399 K CB -0.857 31.454 32.500 -0.315 0.000 0.714 399 K HN 0.463 nan 8.250 nan 0.000 0.443 400 A N 1.435 124.295 122.820 0.066 0.000 1.873 400 A HA -0.265 4.045 4.320 -0.016 0.000 0.218 400 A C 1.976 179.558 177.584 -0.004 0.000 1.193 400 A CA 2.152 54.191 52.037 0.004 0.000 0.629 400 A CB -0.585 18.292 19.000 -0.205 0.000 0.826 400 A HN 0.295 nan 8.150 nan 0.000 0.447 401 E N -0.871 119.324 120.200 -0.008 0.000 2.150 401 E HA -0.051 4.290 4.350 -0.016 0.000 0.193 401 E C 2.133 178.779 176.600 0.076 0.000 0.985 401 E CA 1.440 57.840 56.400 -0.001 0.000 0.814 401 E CB -0.495 29.142 29.700 -0.104 0.000 0.752 401 E HN 0.604 nan 8.360 nan 0.000 0.466 402 T N 0.351 114.978 114.554 0.123 0.000 2.708 402 T HA -0.183 4.157 4.350 -0.016 0.000 0.266 402 T C 1.922 176.602 174.700 -0.033 0.000 1.037 402 T CA 1.473 63.596 62.100 0.039 0.000 1.146 402 T CB -0.388 68.602 68.868 0.203 0.000 0.865 402 T HN 0.291 nan 8.240 nan 0.000 0.435 403 A N 0.797 123.660 122.820 0.071 0.000 1.877 403 A HA -0.124 4.187 4.320 -0.016 0.000 0.216 403 A C 2.539 179.842 177.584 -0.467 0.000 1.186 403 A CA 2.345 54.337 52.037 -0.076 0.000 0.620 403 A CB -1.367 17.742 19.000 0.181 0.000 0.822 403 A HN 0.488 nan 8.150 nan 0.000 0.443 404 T N -0.907 113.377 114.554 -0.449 0.000 2.788 404 T HA -0.131 4.210 4.350 -0.016 0.000 0.268 404 T C 1.800 176.206 174.700 -0.490 0.000 1.044 404 T CA 1.636 63.315 62.100 -0.702 0.000 1.139 404 T CB -0.442 68.279 68.868 -0.245 0.000 0.867 404 T HN 0.288 nan 8.240 nan 0.000 0.454 405 L N 1.332 122.406 121.223 -0.249 0.000 2.017 405 L HA 0.209 4.540 4.340 -0.016 0.000 0.208 405 L C 2.712 179.460 176.870 -0.203 0.000 1.073 405 L CA 2.210 56.960 54.840 -0.150 0.000 0.745 405 L CB -1.191 40.809 42.059 -0.098 0.000 0.894 405 L HN 0.278 nan 8.230 nan 0.000 0.432 406 A N -0.692 121.983 122.820 -0.242 0.000 1.933 406 A HA -0.224 4.087 4.320 -0.016 0.000 0.218 406 A C 1.928 179.454 177.584 -0.096 0.000 1.175 406 A CA 1.760 53.691 52.037 -0.176 0.000 0.628 406 A CB -1.127 17.760 19.000 -0.188 0.000 0.814 406 A HN 0.780 nan 8.150 nan 0.000 0.444 407 Y N -2.929 117.329 120.300 -0.070 0.000 2.493 407 Y HA 0.482 5.022 4.550 -0.017 0.000 0.275 407 Y C 1.076 176.879 175.900 -0.161 0.000 1.183 407 Y CA -0.076 57.980 58.100 -0.072 0.000 1.258 407 Y CB -0.481 37.972 38.460 -0.010 0.000 1.108 407 Y HN 0.381 nan 8.280 nan 0.000 0.521 408 G N 0.208 108.903 108.800 -0.174 0.000 2.132 408 G HA2 -0.334 3.617 3.960 -0.016 0.000 0.234 408 G HA3 -0.334 3.617 3.960 -0.016 0.000 0.234 408 G C -0.146 174.538 174.900 -0.360 0.000 0.989 408 G CA 0.367 45.327 45.100 -0.234 0.000 0.676 408 G HN 0.607 nan 8.290 nan 0.000 0.522 409 Y N -0.130 120.165 120.300 -0.008 0.000 2.555 409 Y HA 0.426 4.964 4.550 -0.020 0.000 0.259 409 Y C 2.178 178.076 175.900 -0.003 0.000 1.179 409 Y CA 0.354 58.479 58.100 0.042 0.000 1.230 409 Y CB 1.160 39.693 38.460 0.121 0.000 1.146 409 Y HN 0.274 nan 8.280 nan 0.000 0.526 410 G N 0.650 109.480 108.800 0.051 0.000 3.393 410 G HA2 0.344 4.294 3.960 -0.016 0.000 0.255 410 G HA3 0.344 4.294 3.960 -0.016 0.000 0.255 410 G C -0.022 174.940 174.900 0.104 0.000 1.097 410 G CA -0.027 45.121 45.100 0.080 0.000 0.780 410 G HN 0.252 nan 8.290 nan 0.000 0.540 411 L N -2.402 118.857 121.223 0.061 0.000 2.479 411 L HA 0.920 5.251 4.340 -0.016 0.000 0.255 411 L C -0.892 175.977 176.870 -0.003 0.000 1.026 411 L CA -1.075 53.786 54.840 0.035 0.000 0.842 411 L CB 2.176 44.238 42.059 0.005 0.000 1.444 411 L HN -0.057 nan 8.230 nan 0.000 0.409 412 S N 0.831 116.504 115.700 -0.044 0.000 2.521 412 S HA 0.909 5.369 4.470 -0.016 0.000 0.295 412 S C -0.507 173.966 174.600 -0.211 0.000 1.098 412 S CA -0.178 57.952 58.200 -0.116 0.000 0.999 412 S CB 1.711 64.868 63.200 -0.070 0.000 1.034 412 S HN 1.439 nan 8.310 nan 0.000 0.483 413 V N -0.816 118.850 119.914 -0.413 0.000 3.181 413 V HA 0.929 5.040 4.120 -0.016 0.000 0.308 413 V C -0.141 175.534 176.094 -0.698 0.000 1.214 413 V CA -0.577 61.458 62.300 -0.442 0.000 1.053 413 V CB 1.240 32.840 31.823 -0.372 0.000 1.069 413 V HN 1.182 nan 8.190 nan 0.000 0.441 414 T N -1.097 113.204 114.554 -0.422 0.000 2.944 414 T HA 0.748 5.088 4.350 -0.016 0.000 0.284 414 T C 1.237 175.857 174.700 -0.133 0.000 1.010 414 T CA -0.009 61.915 62.100 -0.293 0.000 1.025 414 T CB 1.535 70.329 68.868 -0.122 0.000 1.079 414 T HN 1.708 nan 8.240 nan 0.000 0.516 415 A N 1.058 123.966 122.820 0.147 0.000 1.940 415 A HA -0.000 4.310 4.320 -0.016 0.000 0.219 415 A C 2.252 179.893 177.584 0.096 0.000 1.176 415 A CA 1.034 53.213 52.037 0.236 0.000 0.631 415 A CB -0.946 18.182 19.000 0.214 0.000 0.814 415 A HN 0.827 nan 8.150 nan 0.000 0.446 416 I N -0.218 120.369 120.570 0.029 0.000 2.226 416 I HA -0.257 3.904 4.170 -0.016 0.000 0.245 416 I C 2.587 178.715 176.117 0.018 0.000 1.100 416 I CA 1.593 62.891 61.300 -0.003 0.000 1.374 416 I CB -1.329 36.629 38.000 -0.072 0.000 1.057 416 I HN 0.516 nan 8.210 nan 0.000 0.413 417 Q N -0.092 119.703 119.800 -0.008 0.000 2.119 417 Q HA -0.206 4.124 4.340 -0.016 0.000 0.201 417 Q C 2.253 178.277 176.000 0.040 0.000 0.972 417 Q CA 1.110 56.915 55.803 0.004 0.000 0.847 417 Q CB -0.158 28.535 28.738 -0.074 0.000 0.903 417 Q HN 0.300 nan 8.270 nan 0.000 0.433 418 L N 0.674 121.931 121.223 0.056 0.000 2.046 418 L HA -0.121 4.210 4.340 -0.016 0.000 0.208 418 L C 2.164 179.178 176.870 0.240 0.000 1.077 418 L CA 1.932 56.861 54.840 0.148 0.000 0.747 418 L CB -0.770 41.390 42.059 0.169 0.000 0.896 418 L HN 0.128 nan 8.230 nan 0.000 0.432 419 A N -1.669 121.253 122.820 0.170 0.000 1.877 419 A HA -0.299 4.011 4.320 -0.016 0.000 0.216 419 A C 2.403 180.141 177.584 0.258 0.000 1.186 419 A CA 1.858 54.011 52.037 0.193 0.000 0.620 419 A CB -1.137 17.940 19.000 0.128 0.000 0.822 419 A HN 0.695 nan 8.150 nan 0.000 0.443 420 H N -0.620 118.496 119.070 0.076 0.000 2.387 420 H HA -0.073 4.473 4.556 -0.017 0.000 0.299 420 H C 2.322 177.680 175.328 0.049 0.000 1.090 420 H CA 1.030 57.101 56.048 0.039 0.000 1.332 420 H CB 0.051 29.803 29.762 -0.017 0.000 1.386 420 H HN 0.484 nan 8.280 nan 0.000 0.516 421 A N 0.343 123.192 122.820 0.048 0.000 1.877 421 A HA -0.198 4.113 4.320 -0.016 0.000 0.216 421 A C 2.089 179.796 177.584 0.205 0.000 1.186 421 A CA 1.302 53.288 52.037 -0.084 0.000 0.620 421 A CB -1.162 17.631 19.000 -0.345 0.000 0.822 421 A HN 0.540 nan 8.150 nan 0.000 0.443 422 Y N -0.132 120.321 120.300 0.254 0.000 2.293 422 Y HA -0.094 4.449 4.550 -0.011 0.000 0.291 422 Y C 2.861 178.812 175.900 0.085 0.000 1.137 422 Y CA 0.911 59.169 58.100 0.263 0.000 1.202 422 Y CB -0.187 38.443 38.460 0.282 0.000 0.990 422 Y HN 0.363 nan 8.280 nan 0.000 0.537 423 A N 0.042 122.980 122.820 0.196 0.000 1.902 423 A HA -0.178 4.132 4.320 -0.016 0.000 0.217 423 A C 2.417 179.968 177.584 -0.054 0.000 1.181 423 A CA 1.736 53.815 52.037 0.070 0.000 0.623 423 A CB -1.234 17.849 19.000 0.139 0.000 0.818 423 A HN 0.414 nan 8.150 nan 0.000 0.443 424 A N -0.533 122.231 122.820 -0.093 0.000 1.883 424 A HA -0.075 4.236 4.320 -0.016 0.000 0.217 424 A C 2.135 179.640 177.584 -0.131 0.000 1.186 424 A CA 1.822 53.780 52.037 -0.132 0.000 0.624 424 A CB -0.674 18.219 19.000 -0.178 0.000 0.822 424 A HN 0.614 nan 8.150 nan 0.000 0.444 425 L N -0.173 120.975 121.223 -0.125 0.000 2.012 425 L HA -0.112 4.219 4.340 -0.016 0.000 0.210 425 L C 2.743 179.381 176.870 -0.386 0.000 1.073 425 L CA 2.334 57.046 54.840 -0.213 0.000 0.748 425 L CB -0.920 40.979 42.059 -0.267 0.000 0.891 425 L HN 0.362 nan 8.230 nan 0.000 0.431 426 A N -0.861 121.597 122.820 -0.603 0.000 1.972 426 A HA -0.224 4.087 4.320 -0.016 0.000 0.219 426 A C 1.859 179.213 177.584 -0.383 0.000 1.169 426 A CA 1.621 53.132 52.037 -0.878 0.000 0.635 426 A CB -0.852 17.575 19.000 -0.954 0.000 0.810 426 A HN 0.574 nan 8.150 nan 0.000 0.446 427 N N 0.547 119.109 118.700 -0.230 0.000 2.410 427 N HA 0.083 4.814 4.740 -0.016 0.000 0.231 427 N C -0.849 174.598 175.510 -0.105 0.000 1.172 427 N CA 0.240 53.214 53.050 -0.127 0.000 0.849 427 N CB -0.563 37.875 38.487 -0.080 0.000 1.116 427 N HN 0.245 nan 8.380 nan 0.000 0.485 428 D N -0.622 119.703 120.400 -0.125 0.000 2.772 428 D HA -0.176 4.455 4.640 -0.016 0.000 0.233 428 D C 0.939 177.193 176.300 -0.077 0.000 1.143 428 D CA 1.364 55.311 54.000 -0.088 0.000 0.700 428 D CB -1.487 39.279 40.800 -0.057 0.000 1.076 428 D HN 0.555 nan 8.370 nan 0.000 0.430 429 G N -0.376 108.368 108.800 -0.094 0.000 2.162 429 G HA2 -0.381 3.569 3.960 -0.016 0.000 0.260 429 G HA3 -0.381 3.569 3.960 -0.016 0.000 0.260 429 G C 0.285 175.143 174.900 -0.070 0.000 0.976 429 G CA 0.650 45.705 45.100 -0.076 0.000 0.655 429 G HN 0.605 nan 8.290 nan 0.000 0.533 430 K N 0.807 121.165 120.400 -0.069 0.000 2.213 430 K HA 0.557 4.867 4.320 -0.016 0.000 0.270 430 K C -0.206 176.352 176.600 -0.069 0.000 1.002 430 K CA -0.135 56.118 56.287 -0.058 0.000 0.868 430 K CB 1.020 33.496 32.500 -0.039 0.000 1.093 430 K HN 0.114 nan 8.250 nan 0.000 0.454 431 S N 3.816 119.469 115.700 -0.078 0.000 2.422 431 S HA 0.259 4.720 4.470 -0.016 0.000 0.298 431 S C -0.492 174.104 174.600 -0.006 0.000 1.118 431 S CA -0.738 57.400 58.200 -0.104 0.000 1.083 431 S CB 0.557 63.638 63.200 -0.199 0.000 0.971 431 S HN 0.367 nan 8.310 nan 0.000 0.478 432 V N 7.928 127.875 119.914 0.056 0.000 2.546 432 V HA 0.367 4.478 4.120 -0.016 0.000 0.284 432 V C -2.057 174.149 176.094 0.187 0.000 1.050 432 V CA -1.964 60.388 62.300 0.087 0.000 0.981 432 V CB 0.932 32.791 31.823 0.061 0.000 0.990 432 V HN 0.720 nan 8.190 nan 0.000 0.474 433 P HA 0.091 nan 4.420 nan 0.000 0.265 433 P C -0.072 177.216 177.300 -0.021 0.000 1.193 433 P CA -0.025 63.120 63.100 0.075 0.000 0.765 433 P CB 0.384 32.101 31.700 0.029 0.000 0.823 434 L N 2.101 123.196 121.223 -0.213 0.000 2.483 434 L HA 0.177 4.507 4.340 -0.016 0.000 0.276 434 L C 0.852 177.643 176.870 -0.133 0.000 1.213 434 L CA 1.001 55.658 54.840 -0.306 0.000 0.843 434 L CB 0.278 42.054 42.059 -0.472 0.000 1.107 434 L HN 0.416 nan 8.230 nan 0.000 0.487 435 S N 2.607 118.247 115.700 -0.099 0.000 2.546 435 S HA 0.409 4.870 4.470 -0.016 0.000 0.272 435 S C 0.146 174.726 174.600 -0.033 0.000 1.140 435 S CA -0.723 57.455 58.200 -0.037 0.000 0.920 435 S CB 1.447 64.633 63.200 -0.022 0.000 1.083 435 S HN 0.592 nan 8.310 nan 0.000 0.476 436 M N 2.852 122.464 119.600 0.021 0.000 2.371 436 M HA 0.160 4.631 4.480 -0.016 0.000 0.246 436 M C 0.600 176.886 176.300 -0.025 0.000 1.103 436 M CA 0.411 55.731 55.300 0.034 0.000 1.010 436 M CB -0.215 32.489 32.600 0.174 0.000 1.457 436 M HN 0.842 nan 8.290 nan 0.000 0.486 437 T N -1.678 112.834 114.554 -0.070 0.000 2.940 437 T HA 0.505 4.846 4.350 -0.016 0.000 0.288 437 T C 0.041 174.679 174.700 -0.104 0.000 1.033 437 T CA -0.887 61.110 62.100 -0.171 0.000 1.033 437 T CB 2.262 70.935 68.868 -0.324 0.000 1.079 437 T HN 0.215 nan 8.240 nan 0.000 0.496 438 R N 1.163 121.599 120.500 -0.106 0.000 2.484 438 R HA 0.327 4.658 4.340 -0.016 0.000 0.293 438 R C -0.913 175.355 176.300 -0.053 0.000 1.023 438 R CA -0.218 55.845 56.100 -0.062 0.000 1.037 438 R CB 0.010 30.281 30.300 -0.048 0.000 0.951 438 R HN 0.564 nan 8.270 nan 0.000 0.418 439 V N 6.061 125.956 119.914 -0.032 0.000 2.333 439 V HA 0.074 4.184 4.120 -0.016 0.000 0.274 439 V C 0.221 176.308 176.094 -0.012 0.000 1.028 439 V CA -0.253 62.034 62.300 -0.022 0.000 0.851 439 V CB 1.301 33.116 31.823 -0.014 0.000 1.000 439 V HN 0.878 nan 8.190 nan 0.000 0.456 440 D N 3.316 123.710 120.400 -0.010 0.000 2.259 440 D HA 0.084 4.715 4.640 -0.016 0.000 0.216 440 D C 0.875 177.176 176.300 0.003 0.000 0.961 440 D CA 0.697 54.696 54.000 -0.001 0.000 0.878 440 D CB 0.439 41.241 40.800 0.003 0.000 1.009 440 D HN 0.422 nan 8.370 nan 0.000 0.490 441 R N 1.278 121.779 120.500 0.002 0.000 2.233 441 R HA 0.391 4.722 4.340 -0.016 0.000 0.334 441 R C -0.640 175.662 176.300 0.003 0.000 1.037 441 R CA -0.387 55.716 56.100 0.005 0.000 0.920 441 R CB 1.959 32.264 30.300 0.007 0.000 1.137 441 R HN -0.169 nan 8.270 nan 0.000 0.492 442 V N 5.412 125.329 119.914 0.005 0.000 2.521 442 V HA 0.105 4.216 4.120 -0.016 0.000 0.286 442 V C -1.545 174.553 176.094 0.007 0.000 1.034 442 V CA -1.369 60.935 62.300 0.006 0.000 1.045 442 V CB 0.409 32.236 31.823 0.007 0.000 0.974 442 V HN 0.587 nan 8.190 nan 0.000 0.480 443 P HA 0.177 nan 4.420 nan 0.000 0.272 443 P C -0.495 176.810 177.300 0.009 0.000 1.230 443 P CA -0.475 62.630 63.100 0.008 0.000 0.788 443 P CB 0.359 32.065 31.700 0.009 0.000 0.949 444 D N 0.131 120.535 120.400 0.007 0.000 2.443 444 D HA 0.208 4.838 4.640 -0.016 0.000 0.239 444 D C 0.998 177.302 176.300 0.006 0.000 1.136 444 D CA 0.548 54.551 54.000 0.005 0.000 0.879 444 D CB 0.402 41.203 40.800 0.003 0.000 1.195 444 D HN 0.390 nan 8.370 nan 0.000 0.443 445 G N 0.114 108.916 108.800 0.003 0.000 2.562 445 G HA2 0.422 4.373 3.960 -0.016 0.000 0.275 445 G HA3 0.422 4.373 3.960 -0.016 0.000 0.275 445 G C -0.427 174.470 174.900 -0.006 0.000 1.196 445 G CA -0.499 44.602 45.100 0.001 0.000 0.908 445 G HN 0.319 nan 8.290 nan 0.000 0.524 446 V N 0.711 120.618 119.914 -0.012 0.000 2.398 446 V HA 0.212 4.323 4.120 -0.016 0.000 0.286 446 V C 0.124 176.199 176.094 -0.032 0.000 1.026 446 V CA -0.626 61.662 62.300 -0.019 0.000 0.868 446 V CB 1.468 33.279 31.823 -0.020 0.000 0.982 446 V HN 0.729 nan 8.190 nan 0.000 0.443 447 Q N 3.295 123.079 119.800 -0.028 0.000 2.300 447 Q HA 0.174 4.505 4.340 -0.016 0.000 0.262 447 Q C 0.479 176.456 176.000 -0.039 0.000 1.109 447 Q CA 0.210 55.993 55.803 -0.033 0.000 0.905 447 Q CB 1.065 29.788 28.738 -0.024 0.000 1.280 447 Q HN 0.771 nan 8.270 nan 0.000 0.426 448 V N 1.843 121.725 119.914 -0.053 0.000 3.621 448 V HA 0.435 4.546 4.120 -0.016 0.000 0.263 448 V C 0.531 176.595 176.094 -0.049 0.000 1.272 448 V CA 0.226 62.490 62.300 -0.059 0.000 1.080 448 V CB 0.068 31.837 31.823 -0.090 0.000 0.816 448 V HN 0.536 nan 8.190 nan 0.000 0.451 449 I N 1.740 122.283 120.570 -0.044 0.000 2.582 449 I HA 0.470 4.631 4.170 -0.016 0.000 0.292 449 I C 0.266 176.363 176.117 -0.034 0.000 1.066 449 I CA -0.643 60.637 61.300 -0.034 0.000 1.053 449 I CB 2.451 40.432 38.000 -0.033 0.000 1.241 449 I HN 0.229 nan 8.210 nan 0.000 0.421 450 S N 4.905 120.589 115.700 -0.026 0.000 2.563 450 S HA 0.157 4.618 4.470 -0.016 0.000 0.284 450 S C -1.960 172.622 174.600 -0.029 0.000 1.331 450 S CA -0.688 57.498 58.200 -0.023 0.000 1.047 450 S CB 0.630 63.822 63.200 -0.014 0.000 0.859 450 S HN 0.416 nan 8.310 nan 0.000 0.514 451 P HA -0.150 nan 4.420 nan 0.000 0.216 451 P C 1.522 178.806 177.300 -0.027 0.000 1.150 451 P CA 1.301 64.383 63.100 -0.030 0.000 0.837 451 P CB -0.028 31.658 31.700 -0.023 0.000 0.786 452 E N -0.315 119.874 120.200 -0.019 0.000 2.072 452 E HA -0.087 4.253 4.350 -0.016 0.000 0.191 452 E C 2.074 178.663 176.600 -0.018 0.000 0.985 452 E CA 1.085 57.476 56.400 -0.015 0.000 0.801 452 E CB -1.563 28.132 29.700 -0.008 0.000 0.750 452 E HN 0.110 nan 8.360 nan 0.000 0.452 453 V N 2.207 122.108 119.914 -0.021 0.000 2.358 453 V HA -0.209 3.901 4.120 -0.016 0.000 0.246 453 V C 2.662 178.729 176.094 -0.045 0.000 1.047 453 V CA 1.839 64.123 62.300 -0.027 0.000 1.035 453 V CB -0.908 30.900 31.823 -0.025 0.000 0.658 453 V HN 0.374 nan 8.190 nan 0.000 0.452 454 A N 0.034 122.822 122.820 -0.053 0.000 1.883 454 A HA -0.221 4.089 4.320 -0.016 0.000 0.217 454 A C 2.481 180.026 177.584 -0.064 0.000 1.186 454 A CA 2.351 54.342 52.037 -0.077 0.000 0.624 454 A CB -0.811 18.137 19.000 -0.087 0.000 0.822 454 A HN 0.535 nan 8.150 nan 0.000 0.444 455 S N -0.246 115.428 115.700 -0.042 0.000 2.383 455 S HA -0.154 4.307 4.470 -0.016 0.000 0.229 455 S C 1.986 176.582 174.600 -0.007 0.000 1.030 455 S CA 1.848 60.036 58.200 -0.020 0.000 1.002 455 S CB -0.701 62.491 63.200 -0.014 0.000 0.829 455 S HN 0.702 nan 8.310 nan 0.000 0.467 456 T N 2.166 116.710 114.554 -0.015 0.000 2.737 456 T HA -0.036 4.304 4.350 -0.016 0.000 0.265 456 T C 1.964 176.655 174.700 -0.016 0.000 1.038 456 T CA 1.258 63.352 62.100 -0.011 0.000 1.144 456 T CB -0.418 68.444 68.868 -0.010 0.000 0.866 456 T HN 0.226 nan 8.240 nan 0.000 0.434 457 V N 1.568 121.457 119.914 -0.041 0.000 2.515 457 V HA -0.190 3.921 4.120 -0.016 0.000 0.250 457 V C 2.576 178.669 176.094 -0.002 0.000 1.058 457 V CA 1.476 63.736 62.300 -0.066 0.000 1.064 457 V CB -0.764 30.969 31.823 -0.150 0.000 0.675 457 V HN 0.495 nan 8.190 nan 0.000 0.461 458 Q N 0.356 120.192 119.800 0.060 0.000 2.045 458 Q HA -0.187 4.144 4.340 -0.016 0.000 0.206 458 Q C 2.446 178.537 176.000 0.152 0.000 0.991 458 Q CA 1.966 57.912 55.803 0.237 0.000 0.851 458 Q CB -0.679 28.176 28.738 0.195 0.000 0.911 458 Q HN 0.706 nan 8.270 nan 0.000 0.418 459 G N 0.716 109.560 108.800 0.074 0.000 2.446 459 G HA2 -0.279 3.672 3.960 -0.016 0.000 0.217 459 G HA3 -0.279 3.672 3.960 -0.016 0.000 0.217 459 G C 1.377 176.290 174.900 0.021 0.000 1.168 459 G CA 1.092 46.216 45.100 0.040 0.000 0.771 459 G HN 0.207 nan 8.290 nan 0.000 0.551 460 M N -0.157 119.446 119.600 0.005 0.000 2.149 460 M HA 0.045 4.515 4.480 -0.016 0.000 0.261 460 M C 2.537 178.824 176.300 -0.022 0.000 1.064 460 M CA 1.091 56.382 55.300 -0.014 0.000 1.102 460 M CB -0.351 32.227 32.600 -0.036 0.000 1.369 460 M HN 0.142 nan 8.290 nan 0.000 0.408 461 L N -0.482 120.725 121.223 -0.026 0.000 2.156 461 L HA -0.174 4.157 4.340 -0.016 0.000 0.208 461 L C 2.633 179.461 176.870 -0.069 0.000 1.095 461 L CA 1.005 55.804 54.840 -0.067 0.000 0.770 461 L CB -0.588 41.416 42.059 -0.092 0.000 0.914 461 L HN 0.418 nan 8.230 nan 0.000 0.439 462 Q N -0.255 119.529 119.800 -0.027 0.000 2.084 462 Q HA -0.245 4.085 4.340 -0.016 0.000 0.202 462 Q C 2.240 178.261 176.000 0.034 0.000 0.978 462 Q CA 1.411 57.221 55.803 0.013 0.000 0.844 462 Q CB 0.130 28.898 28.738 0.051 0.000 0.898 462 Q HN 0.428 nan 8.270 nan 0.000 0.426 463 Q N -0.132 119.682 119.800 0.023 0.000 2.119 463 Q HA -0.116 4.215 4.340 -0.016 0.000 0.201 463 Q C 2.255 178.271 176.000 0.027 0.000 0.972 463 Q CA 1.436 57.257 55.803 0.029 0.000 0.847 463 Q CB -0.434 28.315 28.738 0.019 0.000 0.903 463 Q HN 0.476 nan 8.270 nan 0.000 0.433 464 V N -0.946 118.973 119.914 0.009 0.000 2.594 464 V HA -0.139 3.972 4.120 -0.016 0.000 0.253 464 V C 2.016 178.134 176.094 0.041 0.000 1.069 464 V CA 1.376 63.684 62.300 0.014 0.000 1.082 464 V CB -0.335 31.482 31.823 -0.011 0.000 0.680 464 V HN 0.096 nan 8.190 nan 0.000 0.469 465 V N 0.581 120.522 119.914 0.045 0.000 2.407 465 V HA -0.078 4.033 4.120 -0.016 0.000 0.245 465 V C 2.602 178.744 176.094 0.081 0.000 1.041 465 V CA 2.276 64.614 62.300 0.064 0.000 1.040 465 V CB -0.533 31.331 31.823 0.068 0.000 0.671 465 V HN 0.633 nan 8.190 nan 0.000 0.455 466 E N 0.239 120.488 120.200 0.081 0.000 2.276 466 E HA 0.259 4.599 4.350 -0.016 0.000 0.193 466 E C 1.030 177.677 176.600 0.079 0.000 0.983 466 E CA 0.481 56.935 56.400 0.090 0.000 0.861 466 E CB 0.154 29.916 29.700 0.105 0.000 0.817 466 E HN 0.554 nan 8.360 nan 0.000 0.485 467 A N 1.618 124.477 122.820 0.066 0.000 2.332 467 A HA 0.140 4.451 4.320 -0.016 0.000 0.258 467 A C -0.033 177.585 177.584 0.055 0.000 1.087 467 A CA -0.417 51.651 52.037 0.051 0.000 0.802 467 A CB 0.268 19.291 19.000 0.038 0.000 1.042 467 A HN 0.038 nan 8.150 nan 0.000 0.489 468 Q N -0.058 119.764 119.800 0.037 0.000 2.333 468 Q HA 0.345 4.676 4.340 -0.016 0.000 0.299 468 Q C 1.205 177.230 176.000 0.042 0.000 1.067 468 Q CA 1.083 56.904 55.803 0.029 0.000 0.943 468 Q CB 0.187 28.931 28.738 0.009 0.000 1.233 468 Q HN 1.621 nan 8.270 nan 0.000 0.401 469 G N 1.344 110.178 108.800 0.057 0.000 2.184 469 G HA2 -0.274 3.677 3.960 -0.016 0.000 0.264 469 G HA3 -0.274 3.677 3.960 -0.016 0.000 0.264 469 G C 0.465 175.415 174.900 0.083 0.000 0.975 469 G CA -0.162 44.976 45.100 0.064 0.000 0.642 469 G HN 0.913 nan 8.290 nan 0.000 0.536 470 G N -1.124 107.739 108.800 0.105 0.000 2.525 470 G HA2 0.536 4.487 3.960 -0.016 0.000 0.287 470 G HA3 0.536 4.487 3.960 -0.016 0.000 0.287 470 G C 0.539 175.503 174.900 0.107 0.000 1.350 470 G CA 0.160 45.315 45.100 0.091 0.000 1.039 470 G HN 0.863 nan 8.290 nan 0.000 0.513 471 V N 1.917 121.855 119.914 0.041 0.000 1.935 471 V HA 0.038 4.149 4.120 -0.016 0.000 0.262 471 V C 1.371 177.386 176.094 -0.133 0.000 1.726 471 V CA 0.074 62.329 62.300 -0.075 0.000 1.656 471 V CB -1.794 30.021 31.823 -0.013 0.000 1.532 471 V HN 0.622 nan 8.190 nan 0.000 0.509 472 F N 0.889 120.821 119.950 -0.030 0.000 2.236 472 F HA -0.143 4.378 4.527 -0.010 0.000 0.302 472 F C 2.028 177.798 175.800 -0.051 0.000 1.073 472 F CA 1.156 59.138 58.000 -0.030 0.000 1.336 472 F CB -0.519 38.468 39.000 -0.022 0.000 1.040 472 F HN 0.173 nan 8.300 nan 0.000 0.507 473 R N 0.693 120.766 120.500 -0.713 0.000 2.285 473 R HA 0.100 4.430 4.340 -0.016 0.000 0.213 473 R C 1.991 178.119 176.300 -0.286 0.000 1.068 473 R CA 0.692 56.513 56.100 -0.466 0.000 1.004 473 R CB -0.403 29.542 30.300 -0.592 0.000 0.873 473 R HN 0.492 nan 8.270 nan 0.000 0.467 474 A N 0.529 123.160 122.820 -0.315 0.000 2.275 474 A HA 0.047 4.358 4.320 -0.016 0.000 0.212 474 A C 0.411 177.986 177.584 -0.015 0.000 1.201 474 A CA -0.191 51.657 52.037 -0.315 0.000 0.843 474 A CB 0.197 18.684 19.000 -0.856 0.000 0.873 474 A HN 0.233 nan 8.150 nan 0.000 0.492 475 Q N -0.136 119.670 119.800 0.010 0.000 2.361 475 Q HA 0.312 4.643 4.340 -0.016 0.000 0.276 475 Q C -0.957 175.088 176.000 0.074 0.000 1.022 475 Q CA 0.256 56.104 55.803 0.074 0.000 0.898 475 Q CB 1.133 29.920 28.738 0.082 0.000 1.246 475 Q HN 0.167 nan 8.270 nan 0.000 0.410 476 V N 4.987 124.956 119.914 0.092 0.000 2.325 476 V HA 0.252 4.363 4.120 -0.016 0.000 0.280 476 V C -2.118 174.039 176.094 0.105 0.000 1.016 476 V CA -1.876 60.472 62.300 0.080 0.000 0.818 476 V CB 1.086 32.947 31.823 0.064 0.000 1.019 476 V HN 0.721 nan 8.190 nan 0.000 0.434 477 P HA 0.176 nan 4.420 nan 0.000 0.264 477 P C 1.005 178.331 177.300 0.043 0.000 1.193 477 P CA 1.430 64.551 63.100 0.034 0.000 0.763 477 P CB 1.037 32.751 31.700 0.023 0.000 0.810 478 G N 2.126 110.882 108.800 -0.074 0.000 2.279 478 G HA2 -0.209 3.742 3.960 -0.016 0.000 0.223 478 G HA3 -0.209 3.742 3.960 -0.016 0.000 0.223 478 G C -0.465 174.150 174.900 -0.474 0.000 1.015 478 G CA -0.302 44.640 45.100 -0.263 0.000 0.621 478 G HN 0.523 nan 8.290 nan 0.000 0.506 479 Y N 0.850 121.105 120.300 -0.074 0.000 2.536 479 Y HA 0.686 5.227 4.550 -0.015 0.000 0.347 479 Y C 0.393 176.223 175.900 -0.116 0.000 1.000 479 Y CA -1.162 56.910 58.100 -0.046 0.000 1.051 479 Y CB 1.258 39.731 38.460 0.021 0.000 1.259 479 Y HN 0.124 nan 8.280 nan 0.000 0.468 480 H N 1.430 120.630 119.070 0.216 0.000 2.742 480 H HA 0.581 5.128 4.556 -0.016 0.000 0.302 480 H C -0.488 174.943 175.328 0.172 0.000 1.069 480 H CA -0.209 55.933 56.048 0.157 0.000 1.446 480 H CB 0.960 30.795 29.762 0.122 0.000 1.462 480 H HN 0.766 nan 8.280 nan 0.000 0.499 481 A N 2.604 125.563 122.820 0.231 0.000 2.330 481 A HA 0.798 5.109 4.320 -0.016 0.000 0.329 481 A C -0.583 177.044 177.584 0.071 0.000 1.135 481 A CA -0.399 51.756 52.037 0.197 0.000 0.817 481 A CB 1.347 20.532 19.000 0.307 0.000 1.269 481 A HN 0.754 nan 8.150 nan 0.000 0.469 482 A N -0.170 122.563 122.820 -0.145 0.000 2.475 482 A HA 0.975 5.285 4.320 -0.016 0.000 0.301 482 A C -0.013 177.291 177.584 -0.467 0.000 1.059 482 A CA 0.019 51.837 52.037 -0.365 0.000 0.710 482 A CB 1.579 20.166 19.000 -0.688 0.000 1.288 482 A HN 2.563 nan 8.150 nan 0.000 0.408 483 G N -0.007 108.592 108.800 -0.335 0.000 2.321 483 G HA2 0.554 4.505 3.960 -0.016 0.000 0.296 483 G HA3 0.554 4.505 3.960 -0.016 0.000 0.296 483 G C -1.787 172.804 174.900 -0.515 0.000 1.287 483 G CA -0.290 44.501 45.100 -0.517 0.000 0.846 483 G HN 1.059 nan 8.290 nan 0.000 0.508 484 K N -0.079 119.702 120.400 -1.033 0.000 2.550 484 K HA 0.662 4.973 4.320 -0.016 0.000 0.252 484 K C -0.007 176.140 176.600 -0.755 0.000 0.943 484 K CA -0.010 55.927 56.287 -0.582 0.000 0.806 484 K CB 1.711 34.064 32.500 -0.245 0.000 1.289 484 K HN 1.123 nan 8.250 nan 0.000 0.435 485 S N 1.311 116.874 115.700 -0.228 0.000 2.672 485 S HA 0.925 5.385 4.470 -0.016 0.000 0.276 485 S C 0.248 174.822 174.600 -0.043 0.000 1.207 485 S CA -0.080 58.111 58.200 -0.016 0.000 1.002 485 S CB 1.505 64.807 63.200 0.170 0.000 0.998 485 S HN 0.876 nan 8.310 nan 0.000 0.542 486 G N -0.414 108.384 108.800 -0.004 0.000 2.576 486 G HA2 0.536 4.487 3.960 -0.016 0.000 0.290 486 G HA3 0.536 4.487 3.960 -0.016 0.000 0.290 486 G C -1.545 173.375 174.900 0.035 0.000 1.442 486 G CA -0.750 44.360 45.100 0.016 0.000 0.792 486 G HN 0.735 nan 8.290 nan 0.000 0.491 487 T N 1.085 115.686 114.554 0.079 0.000 2.788 487 T HA 0.649 4.990 4.350 -0.016 0.000 0.296 487 T C 0.542 175.353 174.700 0.185 0.000 1.009 487 T CA 0.218 62.360 62.100 0.069 0.000 0.949 487 T CB 1.007 69.877 68.868 0.003 0.000 0.946 487 T HN 1.018 nan 8.240 nan 0.000 0.453 488 A N 3.859 126.739 122.820 0.101 0.000 2.351 488 A HA 0.702 5.013 4.320 -0.016 0.000 0.257 488 A C 0.398 178.174 177.584 0.321 0.000 1.087 488 A CA -0.463 51.676 52.037 0.169 0.000 0.798 488 A CB 0.461 19.372 19.000 -0.149 0.000 1.033 488 A HN 0.798 nan 8.150 nan 0.000 0.488 489 R N 0.516 121.255 120.500 0.400 0.000 2.686 489 R HA 0.599 4.929 4.340 -0.016 0.000 0.286 489 R C -0.916 175.493 176.300 0.181 0.000 0.969 489 R CA -0.622 55.648 56.100 0.282 0.000 0.898 489 R CB 1.340 31.844 30.300 0.339 0.000 1.183 489 R HN 0.708 nan 8.270 nan 0.000 0.456 501 Y N 0.722 120.992 120.300 -0.050 0.000 2.509 501 Y HA 0.832 5.364 4.550 -0.030 0.000 0.341 501 Y C 0.602 176.441 175.900 -0.103 0.000 1.038 501 Y CA -0.687 57.369 58.100 -0.074 0.000 1.089 501 Y CB 2.066 40.450 38.460 -0.127 0.000 1.241 501 Y HN 0.758 nan 8.280 nan 0.000 0.468 502 R N 0.028 120.561 120.500 0.055 0.000 2.744 502 R HA 0.558 4.889 4.340 -0.016 0.000 0.279 502 R C -0.944 175.300 176.300 -0.094 0.000 0.977 502 R CA -0.937 55.122 56.100 -0.068 0.000 0.906 502 R CB 2.016 32.216 30.300 -0.168 0.000 1.197 502 R HN 0.580 nan 8.270 nan 0.000 0.463 503 S N 2.434 118.071 115.700 -0.105 0.000 2.489 503 S HA 0.454 4.914 4.470 -0.016 0.000 0.277 503 S C -0.403 174.145 174.600 -0.086 0.000 1.230 503 S CA -0.544 57.606 58.200 -0.084 0.000 1.053 503 S CB 0.231 63.397 63.200 -0.058 0.000 0.955 503 S HN 0.425 nan 8.310 nan 0.000 0.488 504 L N 4.730 125.915 121.223 -0.063 0.000 2.346 504 L HA 0.672 5.002 4.340 -0.016 0.000 0.276 504 L C -1.026 175.859 176.870 0.025 0.000 1.006 504 L CA -0.822 53.973 54.840 -0.076 0.000 0.817 504 L CB 1.763 43.746 42.059 -0.126 0.000 1.272 504 L HN 0.755 nan 8.230 nan 0.000 0.421 505 F N 2.578 122.443 119.950 -0.143 0.000 2.569 505 F HA 0.757 5.272 4.527 -0.020 0.000 0.312 505 F C -0.677 174.969 175.800 -0.257 0.000 1.109 505 F CA -0.451 57.426 58.000 -0.205 0.000 0.919 505 F CB 1.821 40.693 39.000 -0.213 0.000 1.211 505 F HN 0.401 nan 8.300 nan 0.000 0.446 506 A N 3.608 125.789 122.820 -1.065 0.000 2.374 506 A HA 0.927 5.238 4.320 -0.016 0.000 0.305 506 A C -0.720 176.164 177.584 -1.166 0.000 1.053 506 A CA -0.012 51.453 52.037 -0.953 0.000 0.726 506 A CB 1.283 19.566 19.000 -1.195 0.000 1.229 506 A HN 1.346 nan 8.150 nan 0.000 0.431 507 G N 0.055 108.541 108.800 -0.522 0.000 2.554 507 G HA2 0.839 4.790 3.960 -0.016 0.000 0.306 507 G HA3 0.839 4.790 3.960 -0.016 0.000 0.306 507 G C -1.160 173.967 174.900 0.379 0.000 1.320 507 G CA 0.040 45.005 45.100 -0.224 0.000 0.800 507 G HN 1.788 nan 8.290 nan 0.000 0.481 508 F N -2.633 117.577 119.950 0.434 0.000 2.773 508 F HA 0.929 5.447 4.527 -0.015 0.000 0.314 508 F C -0.359 175.613 175.800 0.287 0.000 1.160 508 F CA -0.968 57.226 58.000 0.323 0.000 0.920 508 F CB 1.405 40.542 39.000 0.228 0.000 1.323 508 F HN 1.482 nan 8.300 nan 0.000 0.457 509 A N 0.597 123.676 122.820 0.433 0.000 2.586 509 A HA 0.851 5.161 4.320 -0.016 0.000 0.291 509 A C -3.437 174.262 177.584 0.191 0.000 1.062 509 A CA -1.657 50.544 52.037 0.273 0.000 0.666 509 A CB 1.380 20.441 19.000 0.102 0.000 1.281 509 A HN 0.472 nan 8.150 nan 0.000 0.421 510 P HA 0.455 nan 4.420 nan 0.000 0.277 510 P C 0.910 178.396 177.300 0.310 0.000 1.240 510 P CA 0.464 63.733 63.100 0.281 0.000 0.798 510 P CB 1.156 33.069 31.700 0.356 0.000 0.979 511 A N 2.025 125.035 122.820 0.318 0.000 1.948 511 A HA -0.206 4.105 4.320 -0.016 0.000 0.220 511 A C 1.949 179.651 177.584 0.195 0.000 1.177 511 A CA 2.724 54.933 52.037 0.287 0.000 0.636 511 A CB -2.067 17.055 19.000 0.202 0.000 0.815 511 A HN 0.649 nan 8.150 nan 0.000 0.449 512 T N -3.927 110.722 114.554 0.157 0.000 3.023 512 T HA 0.047 4.388 4.350 -0.016 0.000 0.266 512 T C 0.365 175.119 174.700 0.090 0.000 1.093 512 T CA 1.312 63.469 62.100 0.095 0.000 1.129 512 T CB -0.009 68.907 68.868 0.082 0.000 0.899 512 T HN 0.314 nan 8.240 nan 0.000 0.491 513 D N 1.245 121.714 120.400 0.115 0.000 2.826 513 D HA 0.332 4.962 4.640 -0.016 0.000 0.239 513 D C -3.217 173.143 176.300 0.100 0.000 1.329 513 D CA -1.808 52.242 54.000 0.083 0.000 0.854 513 D CB 1.150 41.992 40.800 0.071 0.000 1.494 513 D HN 0.038 nan 8.370 nan 0.000 0.540 514 P HA 0.100 nan 4.420 nan 0.000 0.263 514 P C 0.615 177.963 177.300 0.080 0.000 1.175 514 P CA -0.013 63.163 63.100 0.127 0.000 0.761 514 P CB 0.870 32.580 31.700 0.018 0.000 0.794 515 R N 2.499 123.057 120.500 0.096 0.000 2.350 515 R HA 0.251 4.582 4.340 -0.016 0.000 0.199 515 R C 0.510 176.847 176.300 0.061 0.000 0.876 515 R CA 0.664 56.801 56.100 0.061 0.000 1.062 515 R CB 0.128 30.456 30.300 0.048 0.000 1.263 515 R HN 0.472 nan 8.270 nan 0.000 0.641 516 I N -1.954 118.669 120.570 0.089 0.000 2.769 516 I HA 0.727 4.887 4.170 -0.016 0.000 0.298 516 I C -1.209 175.022 176.117 0.190 0.000 1.128 516 I CA -1.873 59.484 61.300 0.096 0.000 1.031 516 I CB 1.558 39.581 38.000 0.038 0.000 1.235 516 I HN -0.086 nan 8.210 nan 0.000 0.423 517 A N 6.759 129.698 122.820 0.197 0.000 2.340 517 A HA 0.912 5.223 4.320 -0.016 0.000 0.331 517 A C -0.634 177.081 177.584 0.218 0.000 1.140 517 A CA -0.751 51.464 52.037 0.296 0.000 0.801 517 A CB 1.698 20.877 19.000 0.298 0.000 1.234 517 A HN 0.983 nan 8.150 nan 0.000 0.469 518 M N 2.288 122.046 119.600 0.263 0.000 2.433 518 M HA 0.623 5.094 4.480 -0.016 0.000 0.290 518 M C -2.206 174.204 176.300 0.183 0.000 1.173 518 M CA -0.505 54.919 55.300 0.207 0.000 0.905 518 M CB 2.150 34.860 32.600 0.182 0.000 1.692 518 M HN 0.436 nan 8.290 nan 0.000 0.462 519 V N 4.217 124.202 119.914 0.117 0.000 2.638 519 V HA 0.616 4.727 4.120 -0.016 0.000 0.306 519 V C -1.025 175.120 176.094 0.085 0.000 1.052 519 V CA -0.683 61.654 62.300 0.062 0.000 0.885 519 V CB 2.151 33.993 31.823 0.032 0.000 0.999 519 V HN 0.688 nan 8.190 nan 0.000 0.424 520 V N 5.373 125.341 119.914 0.090 0.000 2.409 520 V HA 0.594 4.705 4.120 -0.016 0.000 0.291 520 V C -0.482 175.603 176.094 -0.015 0.000 1.020 520 V CA -0.579 61.759 62.300 0.062 0.000 0.848 520 V CB 1.915 33.808 31.823 0.117 0.000 0.990 520 V HN 0.603 nan 8.190 nan 0.000 0.430 521 V N 6.420 126.297 119.914 -0.061 0.000 2.483 521 V HA 0.601 4.711 4.120 -0.016 0.000 0.297 521 V C -0.430 175.596 176.094 -0.114 0.000 1.027 521 V CA -0.397 61.811 62.300 -0.154 0.000 0.855 521 V CB 1.812 33.483 31.823 -0.253 0.000 0.995 521 V HN 0.716 nan 8.190 nan 0.000 0.424 522 I N 2.465 122.967 120.570 -0.112 0.000 2.533 522 I HA 0.404 4.565 4.170 -0.016 0.000 0.290 522 I C -0.726 175.342 176.117 -0.081 0.000 1.056 522 I CA -0.735 60.517 61.300 -0.079 0.000 1.057 522 I CB 2.375 40.341 38.000 -0.057 0.000 1.240 522 I HN 0.480 nan 8.210 nan 0.000 0.423 523 D N 4.296 124.658 120.400 -0.062 0.000 2.493 523 D HA 0.048 4.679 4.640 -0.016 0.000 0.240 523 D C -0.104 176.169 176.300 -0.045 0.000 1.142 523 D CA 0.711 54.682 54.000 -0.049 0.000 0.872 523 D CB 0.697 41.477 40.800 -0.034 0.000 1.173 523 D HN 0.365 nan 8.370 nan 0.000 0.467 524 E N 3.023 123.199 120.200 -0.040 0.000 2.102 524 E HA 0.317 4.657 4.350 -0.016 0.000 0.263 524 E C -2.309 174.277 176.600 -0.024 0.000 0.894 524 E CA -1.725 54.643 56.400 -0.053 0.000 0.746 524 E CB 0.765 30.398 29.700 -0.110 0.000 1.129 524 E HN 0.176 nan 8.360 nan 0.000 0.416 532 G N 0.718 109.610 108.800 0.154 0.000 2.649 532 G HA2 -0.235 3.715 3.960 -0.016 0.000 0.220 532 G HA3 -0.235 3.715 3.960 -0.016 0.000 0.220 532 G C 1.586 176.534 174.900 0.079 0.000 1.189 532 G CA 1.340 46.498 45.100 0.096 0.000 0.777 532 G HN 1.112 nan 8.290 nan 0.000 0.602 533 G N -0.335 108.502 108.800 0.063 0.000 2.650 533 G HA2 0.136 4.086 3.960 -0.016 0.000 0.214 533 G HA3 0.136 4.086 3.960 -0.016 0.000 0.214 533 G C 1.595 176.422 174.900 -0.121 0.000 1.136 533 G CA 0.955 46.026 45.100 -0.048 0.000 0.789 533 G HN 0.446 nan 8.290 nan 0.000 0.536 534 L N -0.048 121.154 121.223 -0.036 0.000 2.200 534 L HA 0.311 4.642 4.340 -0.016 0.000 0.200 534 L C 2.568 179.410 176.870 -0.047 0.000 1.072 534 L CA 1.300 56.113 54.840 -0.046 0.000 0.787 534 L CB -0.149 41.929 42.059 0.031 0.000 0.957 534 L HN -0.003 nan 8.230 nan 0.000 0.459 535 V N -1.473 118.431 119.914 -0.017 0.000 2.492 535 V HA 0.027 4.137 4.120 -0.016 0.000 0.241 535 V C 2.260 178.327 176.094 -0.044 0.000 1.041 535 V CA 1.501 63.785 62.300 -0.027 0.000 1.057 535 V CB 0.053 31.866 31.823 -0.017 0.000 0.711 535 V HN 0.375 nan 8.190 nan 0.000 0.468 536 S N 0.107 115.787 115.700 -0.033 0.000 2.439 536 S HA 0.139 4.599 4.470 -0.016 0.000 0.224 536 S C 2.179 176.734 174.600 -0.076 0.000 1.029 536 S CA 0.899 59.090 58.200 -0.015 0.000 0.946 536 S CB -0.043 63.181 63.200 0.041 0.000 0.797 536 S HN 0.549 nan 8.310 nan 0.000 0.504 537 A N 2.676 125.373 122.820 -0.205 0.000 1.883 537 A HA -0.049 4.261 4.320 -0.016 0.000 0.217 537 A C -0.283 177.089 177.584 -0.353 0.000 1.186 537 A CA 1.592 53.293 52.037 -0.560 0.000 0.624 537 A CB -1.848 16.807 19.000 -0.574 0.000 0.822 537 A HN 0.367 nan 8.150 nan 0.000 0.444 538 P HA -0.069 nan 4.420 nan 0.000 0.220 538 P C 1.515 178.760 177.300 -0.092 0.000 1.148 538 P CA 1.147 64.161 63.100 -0.143 0.000 0.803 538 P CB -0.130 31.504 31.700 -0.110 0.000 0.782 539 V N -0.815 119.055 119.914 -0.072 0.000 2.358 539 V HA -0.226 3.884 4.120 -0.016 0.000 0.246 539 V C 2.165 178.245 176.094 -0.023 0.000 1.047 539 V CA 1.573 63.846 62.300 -0.045 0.000 1.035 539 V CB -1.444 30.362 31.823 -0.028 0.000 0.658 539 V HN 0.028 nan 8.190 nan 0.000 0.452 540 F N 1.228 121.083 119.950 -0.158 0.000 2.091 540 F HA -0.270 4.245 4.527 -0.021 0.000 0.299 540 F C 2.772 178.491 175.800 -0.136 0.000 1.103 540 F CA 2.068 59.991 58.000 -0.128 0.000 1.228 540 F CB -0.462 38.407 39.000 -0.218 0.000 0.984 540 F HN 0.113 nan 8.300 nan 0.000 0.477 541 S N 0.064 115.753 115.700 -0.018 0.000 2.359 541 S HA -0.275 4.186 4.470 -0.016 0.000 0.222 541 S C 2.103 176.616 174.600 -0.145 0.000 1.038 541 S CA 2.024 60.178 58.200 -0.078 0.000 1.051 541 S CB -0.419 62.757 63.200 -0.040 0.000 0.944 541 S HN 0.510 nan 8.310 nan 0.000 0.433 542 K N 0.063 120.398 120.400 -0.108 0.000 2.057 542 K HA -0.032 4.278 4.320 -0.016 0.000 0.207 542 K C 2.096 178.623 176.600 -0.122 0.000 1.049 542 K CA 1.544 57.776 56.287 -0.092 0.000 0.931 542 K CB -0.369 32.090 32.500 -0.069 0.000 0.714 542 K HN 0.267 nan 8.250 nan 0.000 0.440 543 V N 1.078 120.898 119.914 -0.157 0.000 2.379 543 V HA -0.208 3.902 4.120 -0.016 0.000 0.245 543 V C 2.228 178.187 176.094 -0.225 0.000 1.044 543 V CA 1.405 63.608 62.300 -0.162 0.000 1.036 543 V CB -0.283 31.456 31.823 -0.139 0.000 0.664 543 V HN 0.308 nan 8.190 nan 0.000 0.453 544 M N 1.050 120.422 119.600 -0.380 0.000 2.117 544 M HA -0.071 4.399 4.480 -0.016 0.000 0.262 544 M C 2.086 178.201 176.300 -0.309 0.000 1.065 544 M CA 2.095 57.128 55.300 -0.446 0.000 1.114 544 M CB -0.778 31.343 32.600 -0.799 0.000 1.361 544 M HN 0.260 nan 8.290 nan 0.000 0.408 545 A N -0.590 122.098 122.820 -0.220 0.000 1.917 545 A HA -0.052 4.258 4.320 -0.016 0.000 0.219 545 A C 2.326 179.861 177.584 -0.082 0.000 1.182 545 A CA 1.987 53.958 52.037 -0.110 0.000 0.633 545 A CB -1.748 17.226 19.000 -0.043 0.000 0.819 545 A HN 0.616 nan 8.150 nan 0.000 0.448 546 G N -1.039 107.710 108.800 -0.085 0.000 2.395 546 G HA2 0.131 4.081 3.960 -0.016 0.000 0.214 546 G HA3 0.131 4.081 3.960 -0.016 0.000 0.214 546 G C 1.768 176.635 174.900 -0.055 0.000 1.177 546 G CA 1.225 46.299 45.100 -0.045 0.000 0.794 546 G HN 0.777 nan 8.290 nan 0.000 0.532 547 A N 0.631 123.395 122.820 -0.093 0.000 1.877 547 A HA 0.049 4.359 4.320 -0.016 0.000 0.216 547 A C 2.350 179.876 177.584 -0.096 0.000 1.186 547 A CA 1.392 53.380 52.037 -0.082 0.000 0.620 547 A CB -0.511 18.431 19.000 -0.097 0.000 0.822 547 A HN 0.277 nan 8.150 nan 0.000 0.443 548 L N -0.143 120.969 121.223 -0.184 0.000 2.043 548 L HA -0.169 4.162 4.340 -0.016 0.000 0.212 548 L C 2.615 179.438 176.870 -0.079 0.000 1.075 548 L CA 1.915 56.608 54.840 -0.246 0.000 0.752 548 L CB -1.019 40.623 42.059 -0.695 0.000 0.891 548 L HN 0.397 nan 8.230 nan 0.000 0.432 549 R N -1.285 119.202 120.500 -0.021 0.000 2.090 549 R HA -0.046 4.284 4.340 -0.016 0.000 0.228 549 R C 2.245 178.568 176.300 0.039 0.000 1.110 549 R CA 0.675 56.814 56.100 0.064 0.000 0.973 549 R CB -0.279 30.071 30.300 0.084 0.000 0.869 549 R HN 0.307 nan 8.270 nan 0.000 0.440 550 L N 0.180 121.412 121.223 0.015 0.000 2.131 550 L HA -0.127 4.204 4.340 -0.016 0.000 0.210 550 L C 2.056 178.937 176.870 0.019 0.000 1.092 550 L CA 1.249 56.100 54.840 0.018 0.000 0.759 550 L CB -0.146 41.921 42.059 0.015 0.000 0.903 550 L HN 0.221 nan 8.230 nan 0.000 0.435 551 M N -0.634 118.973 119.600 0.012 0.000 2.494 551 M HA 0.080 4.551 4.480 -0.016 0.000 0.232 551 M C 0.038 176.359 176.300 0.034 0.000 1.137 551 M CA 0.074 55.385 55.300 0.017 0.000 1.012 551 M CB 0.210 32.813 32.600 0.006 0.000 1.567 551 M HN 0.186 nan 8.290 nan 0.000 0.486 552 N N 0.122 118.850 118.700 0.047 0.000 2.725 552 N HA -0.123 4.607 4.740 -0.016 0.000 0.249 552 N C -0.801 174.761 175.510 0.086 0.000 1.103 552 N CA 0.344 53.432 53.050 0.064 0.000 0.707 552 N CB -1.777 36.738 38.487 0.047 0.000 1.043 552 N HN 0.189 nan 8.380 nan 0.000 0.553 553 V N 1.384 121.362 119.914 0.108 0.000 2.521 553 V HA 0.139 4.249 4.120 -0.016 0.000 0.286 553 V C -1.592 174.653 176.094 0.252 0.000 1.034 553 V CA -0.802 61.591 62.300 0.154 0.000 1.045 553 V CB 0.684 32.577 31.823 0.118 0.000 0.974 553 V HN 0.022 nan 8.190 nan 0.000 0.480 554 P HA 0.221 nan 4.420 nan 0.000 0.271 554 P C -2.568 174.800 177.300 0.114 0.000 1.220 554 P CA -1.214 61.956 63.100 0.116 0.000 0.768 554 P CB -0.103 31.641 31.700 0.073 0.000 0.848 555 P HA -0.030 nan 4.420 nan 0.000 0.265 555 P C 0.282 177.458 177.300 -0.206 0.000 1.193 555 P CA 0.592 63.326 63.100 -0.610 0.000 0.765 555 P CB 0.324 31.666 31.700 -0.597 0.000 0.823 556 D N 0.886 121.228 120.400 -0.098 0.000 2.431 556 D HA -0.044 4.587 4.640 -0.016 0.000 0.213 556 D C -0.077 176.335 176.300 0.187 0.000 1.130 556 D CA 0.071 54.133 54.000 0.103 0.000 0.834 556 D CB -0.709 40.226 40.800 0.224 0.000 0.985 556 D HN 0.289 nan 8.370 nan 0.000 0.504 557 N N 0.953 119.663 118.700 0.017 0.000 2.868 557 N HA 0.140 4.870 4.740 -0.016 0.000 0.252 557 N C -0.883 174.634 175.510 0.012 0.000 1.130 557 N CA -0.404 52.640 53.050 -0.010 0.000 1.026 557 N CB 0.225 38.497 38.487 -0.359 0.000 1.335 557 N HN -0.057 nan 8.380 nan 0.000 0.516 558 L N 0.000 121.273 121.223 0.083 0.000 2.949 558 L HA 0.000 4.331 4.340 -0.016 0.000 0.249 558 L CA 0.000 54.861 54.840 0.036 0.000 0.813 558 L CB 0.000 42.074 42.059 0.025 0.000 0.961 558 L HN 0.000 nan 8.230 nan 0.000 0.502