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 1fps_1_A DATA FIRST_RESID 20 DATA SEQUENCE SPVVVERERE EFVGFFPQIV RDLTEDGIGH PEVGDAVARL KEVLQYNAPG DATA SEQUENCE GKCNRGLTVV AAYRELSGPG QKDAESLRCA LAVGWCIELF QAFFLVADDI DATA SEQUENCE MDQSLTRRGQ LCWYKKEGVG LDAINDSFLL ESSVYRVLKK YCRQRPYYVH DATA SEQUENCE LLELFLQTAY QTELGQMLDL ITAPVSKVDL SHFSEERYKA IVKYKTAFYS DATA SEQUENCE FYLPVAAAMY MVGIDSKEEH ENAKAILLEM GEYFQIQDDY LDCFGDPALT DATA SEQUENCE GKVGTDIQDN KCSWLVVQCL QRVTPEQRQL LEDNYGRKEP EKVAKVKELY DATA SEQUENCE EAVGMRAAFQ QYEESSYRRL QELIEKHSNR LPKEIFLGLA QKIYKRQK 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.604 174.600 0.007 0.000 1.055 20 S CA 0.000 58.203 58.200 0.004 0.000 1.107 20 S CB 0.000 63.203 63.200 0.004 0.000 0.593 21 P HA -0.041 nan 4.420 nan 0.000 0.216 21 P C 1.672 178.981 177.300 0.015 0.000 1.150 21 P CA 1.255 64.364 63.100 0.015 0.000 0.837 21 P CB -0.129 31.581 31.700 0.016 0.000 0.786 22 V N -0.522 119.400 119.914 0.014 0.000 2.282 22 V HA -0.245 3.875 4.120 -0.001 0.000 0.249 22 V C 2.377 178.480 176.094 0.015 0.000 1.057 22 V CA 2.074 64.382 62.300 0.015 0.000 1.032 22 V CB -1.451 30.379 31.823 0.012 0.000 0.645 22 V HN -0.012 nan 8.190 nan 0.000 0.447 23 V N -0.647 119.273 119.914 0.010 0.000 2.273 23 V HA -0.162 3.957 4.120 -0.001 0.000 0.242 23 V C 2.392 178.490 176.094 0.007 0.000 1.035 23 V CA 1.652 63.956 62.300 0.007 0.000 1.013 23 V CB -0.516 31.307 31.823 -0.001 0.000 0.652 23 V HN 0.355 nan 8.190 nan 0.000 0.452 24 V N 0.308 120.225 119.914 0.005 0.000 2.220 24 V HA -0.376 3.744 4.120 -0.001 0.000 0.250 24 V C 2.602 178.706 176.094 0.015 0.000 1.056 24 V CA 2.683 64.986 62.300 0.004 0.000 1.016 24 V CB -0.774 31.053 31.823 0.007 0.000 0.639 24 V HN 0.644 nan 8.190 nan 0.000 0.446 25 E N 0.242 120.456 120.200 0.022 0.000 2.114 25 E HA -0.290 4.059 4.350 -0.001 0.000 0.199 25 E C 2.294 178.919 176.600 0.040 0.000 1.008 25 E CA 2.143 58.563 56.400 0.033 0.000 0.810 25 E CB -0.373 29.345 29.700 0.031 0.000 0.739 25 E HN 0.504 nan 8.360 nan 0.000 0.456 26 R N 0.282 120.802 120.500 0.034 0.000 2.081 26 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 26 R C 2.331 178.659 176.300 0.047 0.000 1.131 26 R CA 1.894 58.017 56.100 0.040 0.000 0.960 26 R CB -0.281 30.037 30.300 0.030 0.000 0.856 26 R HN 0.264 nan 8.270 nan 0.000 0.436 27 E N -0.010 120.209 120.200 0.033 0.000 2.077 27 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 27 E C 2.083 178.723 176.600 0.067 0.000 0.989 27 E CA 1.261 57.678 56.400 0.028 0.000 0.800 27 E CB 0.122 29.816 29.700 -0.011 0.000 0.746 27 E HN 0.369 nan 8.360 nan 0.000 0.452 28 R N 0.433 120.975 120.500 0.070 0.000 2.083 28 R HA -0.156 4.183 4.340 -0.001 0.000 0.237 28 R C 2.239 178.642 176.300 0.172 0.000 1.137 28 R CA 1.668 57.839 56.100 0.118 0.000 0.951 28 R CB -0.336 30.015 30.300 0.085 0.000 0.851 28 R HN 0.311 nan 8.270 nan 0.000 0.434 29 E N 0.606 120.884 120.200 0.130 0.000 2.204 29 E HA -0.207 4.143 4.350 -0.001 0.000 0.194 29 E C 1.832 178.534 176.600 0.170 0.000 0.989 29 E CA 0.771 57.253 56.400 0.136 0.000 0.824 29 E CB -0.029 29.729 29.700 0.096 0.000 0.756 29 E HN 0.470 nan 8.360 nan 0.000 0.477 30 E N 0.255 120.557 120.200 0.170 0.000 2.107 30 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 30 E C 1.717 178.496 176.600 0.299 0.000 0.982 30 E CA 0.528 57.036 56.400 0.181 0.000 0.809 30 E CB -0.016 29.755 29.700 0.118 0.000 0.756 30 E HN 0.126 nan 8.360 nan 0.000 0.459 31 F N 0.734 120.770 119.950 0.143 0.000 2.084 31 F HA -0.150 4.377 4.527 -0.000 0.000 0.296 31 F C 2.106 178.214 175.800 0.515 0.000 1.111 31 F CA 0.917 59.061 58.000 0.239 0.000 1.224 31 F CB -0.772 38.247 39.000 0.033 0.000 0.991 31 F HN -0.145 nan 8.300 nan 0.000 0.471 32 V N 0.545 120.674 119.914 0.358 0.000 2.250 32 V HA -0.334 3.786 4.120 -0.001 0.000 0.250 32 V C 2.612 178.875 176.094 0.282 0.000 1.060 32 V CA 2.236 64.722 62.300 0.311 0.000 1.030 32 V CB -1.703 30.245 31.823 0.209 0.000 0.643 32 V HN 0.535 nan 8.190 nan 0.000 0.445 33 G N -2.290 106.657 108.800 0.245 0.000 2.653 33 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.212 33 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.212 33 G C 1.235 176.273 174.900 0.229 0.000 1.138 33 G CA 0.288 45.505 45.100 0.195 0.000 0.782 33 G HN 0.494 nan 8.290 nan 0.000 0.535 34 F N -0.244 119.763 119.950 0.095 0.000 2.619 34 F HA 0.313 4.840 4.527 -0.000 0.000 0.293 34 F C 1.857 177.493 175.800 -0.272 0.000 1.119 34 F CA -1.231 56.774 58.000 0.008 0.000 1.445 34 F CB -0.140 38.966 39.000 0.177 0.000 1.119 34 F HN 0.157 nan 8.300 nan 0.000 0.573 35 F N 2.373 121.944 119.950 -0.631 0.000 2.147 35 F HA -0.141 4.385 4.527 -0.001 0.000 0.301 35 F C -0.953 174.440 175.800 -0.678 0.000 1.084 35 F CA 1.642 58.993 58.000 -1.082 0.000 1.268 35 F CB -1.647 36.688 39.000 -1.108 0.000 1.009 35 F HN -0.065 nan 8.300 nan 0.000 0.486 36 P HA -0.192 nan 4.420 nan 0.000 0.218 36 P C 1.350 178.357 177.300 -0.488 0.000 1.149 36 P CA 1.499 64.364 63.100 -0.391 0.000 0.817 36 P CB -0.061 31.534 31.700 -0.175 0.000 0.785 37 Q N -0.140 119.312 119.800 -0.580 0.000 2.016 37 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 37 Q C 2.032 177.611 176.000 -0.702 0.000 0.978 37 Q CA 1.638 57.071 55.803 -0.616 0.000 0.833 37 Q CB -1.266 26.948 28.738 -0.874 0.000 0.895 37 Q HN 0.042 nan 8.270 nan 0.000 0.427 38 I N 0.241 120.223 120.570 -0.981 0.000 2.145 38 I HA -0.271 3.899 4.170 -0.001 0.000 0.244 38 I C 2.266 177.992 176.117 -0.652 0.000 1.075 38 I CA 1.102 61.928 61.300 -0.789 0.000 1.332 38 I CB -1.161 36.288 38.000 -0.919 0.000 1.033 38 I HN 0.119 nan 8.210 nan 0.000 0.410 39 V N 0.700 120.100 119.914 -0.856 0.000 2.332 39 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 39 V C 2.710 178.581 176.094 -0.373 0.000 1.055 39 V CA 2.092 64.014 62.300 -0.630 0.000 1.038 39 V CB -0.837 30.589 31.823 -0.662 0.000 0.651 39 V HN 0.395 nan 8.190 nan 0.000 0.450 40 R N -0.085 120.207 120.500 -0.345 0.000 2.120 40 R HA -0.175 4.165 4.340 -0.001 0.000 0.234 40 R C 1.963 178.160 176.300 -0.171 0.000 1.123 40 R CA 1.740 57.709 56.100 -0.218 0.000 0.975 40 R CB -0.277 29.908 30.300 -0.190 0.000 0.866 40 R HN 0.534 nan 8.270 nan 0.000 0.446 41 D N 0.337 120.623 120.400 -0.191 0.000 2.097 41 D HA -0.127 4.513 4.640 -0.001 0.000 0.197 41 D C 1.844 178.091 176.300 -0.088 0.000 0.984 41 D CA 1.162 55.103 54.000 -0.098 0.000 0.826 41 D CB -0.029 40.759 40.800 -0.020 0.000 0.973 41 D HN 0.290 nan 8.370 nan 0.000 0.460 42 L N 0.339 121.484 121.223 -0.130 0.000 2.291 42 L HA -0.052 4.287 4.340 -0.001 0.000 0.214 42 L C 2.260 179.079 176.870 -0.084 0.000 1.120 42 L CA 1.315 56.095 54.840 -0.099 0.000 0.799 42 L CB -0.183 41.803 42.059 -0.122 0.000 0.925 42 L HN 0.151 nan 8.230 nan 0.000 0.446 43 T N -5.861 108.634 114.554 -0.099 0.000 2.989 43 T HA 0.019 4.368 4.350 -0.001 0.000 0.250 43 T C 1.474 176.138 174.700 -0.059 0.000 0.981 43 T CA 0.297 62.354 62.100 -0.072 0.000 0.980 43 T CB 0.174 68.995 68.868 -0.077 0.000 1.133 43 T HN -0.006 nan 8.240 nan 0.000 0.489 44 E N 2.315 122.471 120.200 -0.073 0.000 2.257 44 E HA -0.301 4.049 4.350 -0.001 0.000 0.229 44 E C 1.279 177.854 176.600 -0.041 0.000 1.089 44 E CA 2.631 58.995 56.400 -0.060 0.000 0.947 44 E CB -0.566 29.095 29.700 -0.066 0.000 0.808 44 E HN 0.593 nan 8.360 nan 0.000 0.471 45 D N -1.757 118.617 120.400 -0.043 0.000 2.301 45 D HA 0.080 4.719 4.640 -0.001 0.000 0.206 45 D C 1.780 178.064 176.300 -0.025 0.000 0.979 45 D CA 0.979 54.955 54.000 -0.039 0.000 0.874 45 D CB -0.524 40.242 40.800 -0.058 0.000 0.968 45 D HN 0.367 nan 8.370 nan 0.000 0.510 46 G N 1.358 110.146 108.800 -0.020 0.000 2.440 46 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.218 46 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.218 46 G C 0.935 175.867 174.900 0.052 0.000 1.154 46 G CA 0.025 45.135 45.100 0.016 0.000 0.767 46 G HN 0.245 nan 8.290 nan 0.000 0.552 47 I N 1.595 122.177 120.570 0.021 0.000 2.664 47 I HA 0.248 4.418 4.170 -0.001 0.000 0.284 47 I C 1.559 177.697 176.117 0.035 0.000 1.154 47 I CA 1.307 62.621 61.300 0.023 0.000 1.402 47 I CB 0.403 38.403 38.000 0.001 0.000 1.395 47 I HN 0.383 nan 8.210 nan 0.000 0.545 48 G N 4.380 113.206 108.800 0.043 0.000 2.213 48 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 48 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 48 G C 0.421 175.369 174.900 0.079 0.000 0.992 48 G CA -0.266 44.859 45.100 0.042 0.000 0.632 48 G HN 0.765 nan 8.290 nan 0.000 0.511 49 H N 3.318 122.383 119.070 -0.009 0.000 2.955 49 H HA 0.284 4.840 4.556 -0.000 0.000 0.290 49 H C -1.323 174.002 175.328 -0.006 0.000 1.047 49 H CA -0.754 55.289 56.048 -0.008 0.000 1.484 49 H CB 1.275 31.032 29.762 -0.009 0.000 1.501 49 H HN 0.144 nan 8.280 nan 0.000 0.521 50 P HA -0.070 nan 4.420 nan 0.000 0.310 50 P C -0.106 176.992 177.300 -0.337 0.000 1.512 50 P CA 0.850 63.807 63.100 -0.239 0.000 0.753 50 P CB 0.044 31.662 31.700 -0.137 0.000 1.608 51 E N -1.615 118.307 120.200 -0.463 0.000 3.151 51 E HA 0.047 4.397 4.350 -0.001 0.000 0.246 51 E C 0.756 177.258 176.600 -0.162 0.000 1.150 51 E CA -0.089 56.127 56.400 -0.306 0.000 1.806 51 E CB 0.165 29.652 29.700 -0.355 0.000 2.295 51 E HN -0.049 nan 8.360 nan 0.000 1.000 52 V N 1.204 121.042 119.914 -0.127 0.000 3.319 52 V HA 0.235 4.355 4.120 -0.001 0.000 0.317 52 V C 1.382 177.503 176.094 0.045 0.000 1.411 52 V CA 0.995 63.309 62.300 0.025 0.000 1.112 52 V CB 0.538 32.430 31.823 0.115 0.000 1.031 52 V HN 0.417 nan 8.190 nan 0.000 0.448 53 G N 0.216 109.026 108.800 0.016 0.000 2.469 53 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 53 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 53 G C 1.133 176.047 174.900 0.024 0.000 1.150 53 G CA 1.273 46.394 45.100 0.035 0.000 0.763 53 G HN 0.555 nan 8.290 nan 0.000 0.561 54 D N 0.972 121.379 120.400 0.012 0.000 2.178 54 D HA -0.018 4.622 4.640 -0.001 0.000 0.202 54 D C 2.829 179.146 176.300 0.027 0.000 0.974 54 D CA 1.042 55.052 54.000 0.017 0.000 0.841 54 D CB -0.261 40.545 40.800 0.011 0.000 0.953 54 D HN 0.336 nan 8.370 nan 0.000 0.478 55 A N 1.061 123.898 122.820 0.029 0.000 1.877 55 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 55 A C 2.411 180.016 177.584 0.035 0.000 1.186 55 A CA 1.657 53.716 52.037 0.036 0.000 0.620 55 A CB -0.822 18.200 19.000 0.036 0.000 0.822 55 A HN 0.215 nan 8.150 nan 0.000 0.443 56 V N -0.713 119.220 119.914 0.031 0.000 2.719 56 V HA 0.071 4.191 4.120 -0.001 0.000 0.252 56 V C 2.513 178.616 176.094 0.014 0.000 1.065 56 V CA 1.861 64.173 62.300 0.019 0.000 1.086 56 V CB -0.652 31.182 31.823 0.017 0.000 0.700 56 V HN 0.578 nan 8.190 nan 0.000 0.467 57 A N 0.646 123.479 122.820 0.021 0.000 1.940 57 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 57 A C 2.433 180.036 177.584 0.032 0.000 1.176 57 A CA 2.154 54.203 52.037 0.021 0.000 0.631 57 A CB -0.647 18.367 19.000 0.022 0.000 0.814 57 A HN 0.654 nan 8.150 nan 0.000 0.446 58 R N -0.701 119.826 120.500 0.045 0.000 2.161 58 R HA 0.156 4.495 4.340 -0.001 0.000 0.213 58 R C 2.005 178.339 176.300 0.056 0.000 1.055 58 R CA 0.661 56.805 56.100 0.074 0.000 0.996 58 R CB -0.284 30.074 30.300 0.097 0.000 0.901 58 R HN 0.523 nan 8.270 nan 0.000 0.456 59 L N 1.360 122.596 121.223 0.023 0.000 2.012 59 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 59 L C 2.393 179.240 176.870 -0.037 0.000 1.073 59 L CA 1.804 56.634 54.840 -0.017 0.000 0.748 59 L CB -0.382 41.666 42.059 -0.018 0.000 0.891 59 L HN 0.265 nan 8.230 nan 0.000 0.431 60 K N -0.049 120.336 120.400 -0.024 0.000 2.127 60 K HA -0.314 4.006 4.320 -0.001 0.000 0.208 60 K C 1.949 178.546 176.600 -0.004 0.000 1.047 60 K CA 2.238 58.505 56.287 -0.033 0.000 0.927 60 K CB -0.096 32.388 32.500 -0.026 0.000 0.716 60 K HN 0.425 nan 8.250 nan 0.000 0.450 61 E N -0.252 119.963 120.200 0.026 0.000 2.072 61 E HA -0.131 4.219 4.350 -0.001 0.000 0.190 61 E C 1.820 178.403 176.600 -0.029 0.000 0.982 61 E CA 1.057 57.502 56.400 0.076 0.000 0.803 61 E CB 0.227 30.023 29.700 0.159 0.000 0.755 61 E HN 0.152 nan 8.360 nan 0.000 0.453 62 V N 1.196 120.984 119.914 -0.210 0.000 2.343 62 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 62 V C 2.364 178.268 176.094 -0.315 0.000 1.051 62 V CA 1.014 62.946 62.300 -0.613 0.000 1.036 62 V CB -0.540 30.962 31.823 -0.536 0.000 0.654 62 V HN 0.292 nan 8.190 nan 0.000 0.451 63 L N 0.059 121.209 121.223 -0.122 0.000 1.956 63 L HA -0.233 4.107 4.340 -0.001 0.000 0.216 63 L C 2.638 179.599 176.870 0.152 0.000 1.073 63 L CA 2.060 56.913 54.840 0.022 0.000 0.762 63 L CB -1.344 40.711 42.059 -0.006 0.000 0.889 63 L HN 0.393 nan 8.230 nan 0.000 0.433 64 Q N -2.521 117.368 119.800 0.149 0.000 2.170 64 Q HA -0.255 4.085 4.340 -0.001 0.000 0.203 64 Q C 2.110 178.138 176.000 0.047 0.000 0.976 64 Q CA 1.731 57.636 55.803 0.170 0.000 0.858 64 Q CB -0.281 28.544 28.738 0.144 0.000 0.907 64 Q HN 0.493 nan 8.270 nan 0.000 0.433 65 Y N 1.307 121.561 120.300 -0.076 0.000 2.184 65 Y HA -0.161 4.389 4.550 -0.001 0.000 0.290 65 Y C 1.223 177.054 175.900 -0.115 0.000 1.129 65 Y CA 1.910 59.967 58.100 -0.071 0.000 1.144 65 Y CB 0.129 38.563 38.460 -0.042 0.000 0.995 65 Y HN 0.132 nan 8.280 nan 0.000 0.513 66 N N -0.606 118.109 118.700 0.024 0.000 2.415 66 N HA 0.127 4.867 4.740 -0.001 0.000 0.174 66 N C 1.642 177.139 175.510 -0.022 0.000 1.048 66 N CA 0.689 53.747 53.050 0.013 0.000 0.895 66 N CB -0.173 38.296 38.487 -0.029 0.000 1.036 66 N HN 0.322 nan 8.380 nan 0.000 0.449 67 A N 1.805 124.595 122.820 -0.051 0.000 1.840 67 A HA 0.068 4.387 4.320 -0.001 0.000 0.214 67 A C -1.322 176.170 177.584 -0.154 0.000 1.198 67 A CA 0.584 52.602 52.037 -0.032 0.000 0.608 67 A CB -1.373 17.704 19.000 0.128 0.000 0.839 67 A HN 0.149 nan 8.150 nan 0.000 0.443 68 P HA 0.333 nan 4.420 nan 0.000 0.276 68 P C 0.179 177.358 177.300 -0.202 0.000 1.264 68 P CA 1.068 63.879 63.100 -0.482 0.000 0.769 68 P CB 1.166 32.312 31.700 -0.924 0.000 0.840 69 G N 2.490 111.252 108.800 -0.064 0.000 4.213 69 G HA2 0.197 4.157 3.960 -0.001 0.000 0.206 69 G HA3 0.197 4.157 3.960 -0.001 0.000 0.206 69 G C 0.522 175.422 174.900 0.000 0.000 1.421 69 G CA 0.471 45.547 45.100 -0.041 0.000 0.997 69 G HN 0.661 nan 8.290 nan 0.000 0.456 70 G N 0.453 109.267 108.800 0.023 0.000 2.468 70 G HA2 0.388 4.348 3.960 -0.001 0.000 0.264 70 G HA3 0.388 4.348 3.960 -0.001 0.000 0.264 70 G C 0.863 175.784 174.900 0.034 0.000 1.460 70 G CA 0.122 45.243 45.100 0.035 0.000 1.060 70 G HN 0.129 nan 8.290 nan 0.000 0.543 71 K N -1.519 118.904 120.400 0.038 0.000 2.296 71 K HA 0.038 4.357 4.320 -0.001 0.000 0.200 71 K C 1.293 177.913 176.600 0.034 0.000 1.048 71 K CA 0.601 56.912 56.287 0.039 0.000 0.966 71 K CB -0.562 31.963 32.500 0.043 0.000 0.754 71 K HN 0.500 nan 8.250 nan 0.000 0.466 72 C N 0.406 119.715 119.300 0.016 0.000 4.933 72 C HA -0.143 4.317 4.460 -0.001 0.000 0.249 72 C C 1.532 176.492 174.990 -0.050 0.000 1.406 72 C CA 0.327 59.348 59.018 0.004 0.000 1.505 72 C CB -2.248 25.548 27.740 0.093 0.000 1.870 72 C HN 0.494 nan 8.230 nan 0.000 0.651 73 N N 0.714 119.381 118.700 -0.055 0.000 2.242 73 N HA -0.177 4.563 4.740 -0.001 0.000 0.193 73 N C 1.590 176.987 175.510 -0.189 0.000 1.000 73 N CA 1.933 54.921 53.050 -0.104 0.000 0.885 73 N CB -0.192 38.255 38.487 -0.067 0.000 0.988 73 N HN 0.722 nan 8.380 nan 0.000 0.444 74 R N -0.122 120.263 120.500 -0.193 0.000 2.060 74 R HA 0.018 4.358 4.340 -0.001 0.000 0.225 74 R C 2.486 178.645 176.300 -0.235 0.000 1.155 74 R CA 1.406 57.360 56.100 -0.243 0.000 0.930 74 R CB -0.941 29.248 30.300 -0.185 0.000 0.829 74 R HN 0.221 nan 8.270 nan 0.000 0.433 75 G N 0.881 109.561 108.800 -0.201 0.000 2.469 75 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.220 75 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.220 75 G C 1.392 175.854 174.900 -0.730 0.000 1.136 75 G CA 0.674 45.562 45.100 -0.353 0.000 0.759 75 G HN 0.153 nan 8.290 nan 0.000 0.562 76 L N 0.435 121.261 121.223 -0.662 0.000 2.265 76 L HA -0.077 4.262 4.340 -0.001 0.000 0.215 76 L C 3.038 179.682 176.870 -0.376 0.000 1.117 76 L CA 1.239 55.723 54.840 -0.593 0.000 0.782 76 L CB -0.416 41.452 42.059 -0.320 0.000 0.914 76 L HN 0.212 nan 8.230 nan 0.000 0.441 77 T N -0.825 113.546 114.554 -0.305 0.000 2.867 77 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 77 T C 2.004 176.571 174.700 -0.222 0.000 1.057 77 T CA 0.898 62.861 62.100 -0.229 0.000 1.136 77 T CB -0.001 68.739 68.868 -0.213 0.000 0.874 77 T HN 0.060 nan 8.240 nan 0.000 0.466 78 V N 1.189 120.950 119.914 -0.256 0.000 2.233 78 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 78 V C 2.632 178.617 176.094 -0.183 0.000 1.050 78 V CA 1.539 63.714 62.300 -0.209 0.000 1.010 78 V CB -0.714 30.979 31.823 -0.216 0.000 0.637 78 V HN 0.294 nan 8.190 nan 0.000 0.444 79 V N 0.176 119.933 119.914 -0.261 0.000 2.324 79 V HA -0.327 3.793 4.120 -0.001 0.000 0.250 79 V C 2.645 178.674 176.094 -0.109 0.000 1.060 79 V CA 2.307 64.489 62.300 -0.196 0.000 1.042 79 V CB -1.109 30.541 31.823 -0.288 0.000 0.650 79 V HN 0.598 nan 8.190 nan 0.000 0.450 80 A N -0.595 122.142 122.820 -0.140 0.000 1.969 80 A HA 0.001 4.320 4.320 -0.001 0.000 0.218 80 A C 2.375 179.897 177.584 -0.103 0.000 1.169 80 A CA 1.844 53.816 52.037 -0.109 0.000 0.635 80 A CB -0.592 18.336 19.000 -0.120 0.000 0.810 80 A HN 0.568 nan 8.150 nan 0.000 0.445 81 A N -1.360 121.392 122.820 -0.113 0.000 1.854 81 A HA -0.077 4.242 4.320 -0.001 0.000 0.214 81 A C 2.145 179.690 177.584 -0.066 0.000 1.192 81 A CA 1.508 53.472 52.037 -0.121 0.000 0.611 81 A CB -0.902 18.013 19.000 -0.142 0.000 0.832 81 A HN 0.702 nan 8.150 nan 0.000 0.442 82 Y N 0.329 120.540 120.300 -0.148 0.000 2.274 82 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 82 Y C 2.513 178.353 175.900 -0.100 0.000 1.145 82 Y CA 2.058 60.086 58.100 -0.121 0.000 1.203 82 Y CB -0.219 38.174 38.460 -0.111 0.000 0.984 82 Y HN 0.289 nan 8.280 nan 0.000 0.533 83 R N 0.212 120.724 120.500 0.020 0.000 2.073 83 R HA -0.219 4.121 4.340 -0.001 0.000 0.234 83 R C 2.054 178.279 176.300 -0.125 0.000 1.134 83 R CA 1.929 58.002 56.100 -0.046 0.000 0.952 83 R CB -0.291 29.997 30.300 -0.021 0.000 0.850 83 R HN 0.307 nan 8.270 nan 0.000 0.433 84 E N 0.003 120.127 120.200 -0.127 0.000 2.427 84 E HA -0.052 4.297 4.350 -0.001 0.000 0.196 84 E C 1.466 177.966 176.600 -0.166 0.000 1.028 84 E CA 0.742 57.058 56.400 -0.139 0.000 0.864 84 E CB 0.167 29.777 29.700 -0.149 0.000 0.813 84 E HN 0.403 nan 8.360 nan 0.000 0.514 85 L N -0.507 120.591 121.223 -0.209 0.000 2.609 85 L HA 0.228 4.568 4.340 -0.001 0.000 0.230 85 L C 0.706 177.408 176.870 -0.280 0.000 1.064 85 L CA 0.125 54.831 54.840 -0.222 0.000 0.873 85 L CB 0.198 42.134 42.059 -0.205 0.000 1.139 85 L HN -0.012 nan 8.230 nan 0.000 0.490 86 S N -0.113 115.327 115.700 -0.433 0.000 2.603 86 S HA 0.531 5.001 4.470 -0.001 0.000 0.268 86 S C 0.274 174.724 174.600 -0.249 0.000 1.317 86 S CA -0.393 57.536 58.200 -0.453 0.000 1.012 86 S CB 1.568 64.270 63.200 -0.830 0.000 0.926 86 S HN 0.121 nan 8.310 nan 0.000 0.539 87 G N 0.394 109.091 108.800 -0.172 0.000 2.488 87 G HA2 0.518 4.478 3.960 -0.001 0.000 0.318 87 G HA3 0.518 4.478 3.960 -0.001 0.000 0.318 87 G C -1.594 173.256 174.900 -0.082 0.000 1.188 87 G CA -2.058 42.979 45.100 -0.104 0.000 0.944 87 G HN 0.548 nan 8.290 nan 0.000 0.495 88 P HA -0.105 nan 4.420 nan 0.000 0.222 88 P C 1.483 178.775 177.300 -0.013 0.000 1.142 88 P CA 1.410 64.491 63.100 -0.031 0.000 0.788 88 P CB 0.114 31.801 31.700 -0.023 0.000 0.767 89 G N -0.255 108.537 108.800 -0.013 0.000 2.920 89 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.208 89 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.208 89 G C 0.684 175.602 174.900 0.029 0.000 1.159 89 G CA -0.029 45.075 45.100 0.008 0.000 0.784 89 G HN 0.464 nan 8.290 nan 0.000 0.535 90 Q N -0.151 119.663 119.800 0.024 0.000 3.048 90 Q HA 0.444 4.784 4.340 -0.001 0.000 0.337 90 Q C -0.630 175.437 176.000 0.113 0.000 0.845 90 Q CA -0.312 55.541 55.803 0.084 0.000 0.942 90 Q CB 0.617 29.403 28.738 0.080 0.000 1.454 90 Q HN 0.124 nan 8.270 nan 0.000 0.392 91 K N 1.720 122.181 120.400 0.102 0.000 3.257 91 K HA 0.094 4.414 4.320 -0.001 0.000 0.196 91 K C -1.040 175.616 176.600 0.093 0.000 1.089 91 K CA -0.141 56.216 56.287 0.116 0.000 0.959 91 K CB 0.766 33.294 32.500 0.046 0.000 0.719 91 K HN 0.506 nan 8.250 nan 0.000 0.446 92 D N -0.674 119.786 120.400 0.101 0.000 2.387 92 D HA 0.250 4.889 4.640 -0.001 0.000 0.255 92 D C 1.007 177.348 176.300 0.067 0.000 1.081 92 D CA -0.508 53.534 54.000 0.071 0.000 0.994 92 D CB 1.383 42.222 40.800 0.065 0.000 1.127 92 D HN -0.037 nan 8.370 nan 0.000 0.513 93 A N 0.647 123.497 122.820 0.050 0.000 1.869 93 A HA -0.294 4.026 4.320 -0.001 0.000 0.218 93 A C 1.953 179.566 177.584 0.049 0.000 1.203 93 A CA 2.074 54.137 52.037 0.043 0.000 0.638 93 A CB -1.055 17.970 19.000 0.041 0.000 0.831 93 A HN 0.812 nan 8.150 nan 0.000 0.450 94 E N -0.597 119.636 120.200 0.056 0.000 2.267 94 E HA -0.125 4.225 4.350 -0.001 0.000 0.197 94 E C 1.904 178.551 176.600 0.079 0.000 0.998 94 E CA 1.162 57.602 56.400 0.066 0.000 0.830 94 E CB -0.014 29.716 29.700 0.052 0.000 0.751 94 E HN 0.623 nan 8.360 nan 0.000 0.491 95 S N -0.208 115.538 115.700 0.076 0.000 2.456 95 S HA 0.083 4.553 4.470 -0.001 0.000 0.224 95 S C 1.797 176.364 174.600 -0.055 0.000 1.035 95 S CA -0.048 58.193 58.200 0.069 0.000 0.940 95 S CB 0.180 63.485 63.200 0.175 0.000 0.799 95 S HN 0.195 nan 8.310 nan 0.000 0.508 96 L N 1.265 122.481 121.223 -0.012 0.000 2.072 96 L HA 0.032 4.371 4.340 -0.001 0.000 0.205 96 L C 2.577 179.370 176.870 -0.127 0.000 1.079 96 L CA 1.023 55.820 54.840 -0.071 0.000 0.752 96 L CB -0.346 41.713 42.059 -0.000 0.000 0.906 96 L HN 0.179 nan 8.230 nan 0.000 0.436 97 R N -0.948 119.506 120.500 -0.076 0.000 2.159 97 R HA -0.155 4.185 4.340 -0.001 0.000 0.237 97 R C 2.242 178.523 176.300 -0.032 0.000 1.131 97 R CA 1.415 57.445 56.100 -0.117 0.000 0.982 97 R CB -0.598 29.736 30.300 0.056 0.000 0.868 97 R HN 0.421 nan 8.270 nan 0.000 0.453 98 C N -0.327 119.006 119.300 0.055 0.000 2.468 98 C HA 0.118 4.578 4.460 -0.001 0.000 0.277 98 C C 2.726 177.672 174.990 -0.074 0.000 1.400 98 C CA 0.300 59.386 59.018 0.112 0.000 1.770 98 C CB -0.653 27.196 27.740 0.182 0.000 1.905 98 C HN 0.552 nan 8.230 nan 0.000 0.519 99 A N 0.716 123.401 122.820 -0.225 0.000 1.854 99 A HA -0.016 4.304 4.320 -0.001 0.000 0.214 99 A C 2.077 179.564 177.584 -0.163 0.000 1.192 99 A CA 1.150 53.003 52.037 -0.307 0.000 0.611 99 A CB -0.602 18.150 19.000 -0.413 0.000 0.832 99 A HN 0.513 nan 8.150 nan 0.000 0.442 100 L N -0.502 120.638 121.223 -0.138 0.000 1.971 100 L HA -0.265 4.075 4.340 -0.001 0.000 0.215 100 L C 3.149 180.180 176.870 0.269 0.000 1.072 100 L CA 1.416 56.274 54.840 0.031 0.000 0.758 100 L CB -0.688 41.240 42.059 -0.217 0.000 0.889 100 L HN 0.454 nan 8.230 nan 0.000 0.433 101 A N -0.455 122.419 122.820 0.090 0.000 1.908 101 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 101 A C 2.198 179.872 177.584 0.149 0.000 1.181 101 A CA 1.977 54.068 52.037 0.090 0.000 0.627 101 A CB -0.861 17.770 19.000 -0.615 0.000 0.818 101 A HN 0.270 nan 8.150 nan 0.000 0.445 102 V N -0.311 119.665 119.914 0.103 0.000 2.970 102 V HA -0.064 4.055 4.120 -0.001 0.000 0.260 102 V C 2.541 178.731 176.094 0.160 0.000 1.100 102 V CA 1.352 63.744 62.300 0.152 0.000 1.122 102 V CB -0.964 30.933 31.823 0.124 0.000 0.721 102 V HN 0.615 nan 8.190 nan 0.000 0.483 103 G N -1.153 107.720 108.800 0.122 0.000 2.396 103 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.214 103 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.214 103 G C 1.284 176.349 174.900 0.275 0.000 1.166 103 G CA 0.121 45.226 45.100 0.008 0.000 0.793 103 G HN 0.584 nan 8.290 nan 0.000 0.533 104 W N 0.114 121.739 121.300 0.541 0.000 2.525 104 W HA 0.017 4.677 4.660 -0.001 0.000 0.259 104 W C 2.485 179.123 176.519 0.199 0.000 1.253 104 W CA 0.003 57.551 57.345 0.339 0.000 1.262 104 W CB -0.146 29.415 29.460 0.168 0.000 1.122 104 W HN 0.164 nan 8.180 nan 0.000 0.607 105 C N -0.506 118.981 119.300 0.313 0.000 2.457 105 C HA -0.152 4.307 4.460 -0.001 0.000 0.278 105 C C 2.511 177.611 174.990 0.183 0.000 1.309 105 C CA 0.373 59.458 59.018 0.112 0.000 1.735 105 C CB -1.207 26.487 27.740 -0.076 0.000 1.992 105 C HN 0.231 nan 8.230 nan 0.000 0.493 106 I N 0.892 121.632 120.570 0.283 0.000 2.252 106 I HA -0.103 4.067 4.170 -0.001 0.000 0.245 106 I C 2.497 178.840 176.117 0.378 0.000 1.102 106 I CA 1.548 63.059 61.300 0.353 0.000 1.385 106 I CB -1.607 36.517 38.000 0.207 0.000 1.064 106 I HN 0.261 nan 8.210 nan 0.000 0.414 107 E N 1.317 121.686 120.200 0.283 0.000 2.058 107 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 107 E C 2.303 179.104 176.600 0.334 0.000 0.997 107 E CA 1.119 57.681 56.400 0.270 0.000 0.801 107 E CB -0.386 29.415 29.700 0.169 0.000 0.746 107 E HN 0.432 nan 8.360 nan 0.000 0.450 108 L N -0.482 120.955 121.223 0.358 0.000 2.362 108 L HA -0.074 4.266 4.340 -0.001 0.000 0.219 108 L C 2.035 179.102 176.870 0.329 0.000 1.134 108 L CA 0.331 55.344 54.840 0.289 0.000 0.807 108 L CB -0.290 41.896 42.059 0.211 0.000 0.927 108 L HN 0.134 nan 8.230 nan 0.000 0.447 109 F N 0.782 120.870 119.950 0.230 0.000 2.146 109 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 109 F C 2.689 178.616 175.800 0.211 0.000 1.096 109 F CA 1.681 59.876 58.000 0.324 0.000 1.275 109 F CB -0.082 39.134 39.000 0.360 0.000 1.008 109 F HN 0.025 nan 8.300 nan 0.000 0.480 110 Q N -0.014 119.978 119.800 0.319 0.000 2.046 110 Q HA -0.160 4.180 4.340 -0.001 0.000 0.200 110 Q C 2.377 178.408 176.000 0.052 0.000 0.975 110 Q CA 1.492 57.380 55.803 0.142 0.000 0.836 110 Q CB -0.399 28.523 28.738 0.306 0.000 0.896 110 Q HN 0.455 nan 8.270 nan 0.000 0.428 111 A N 0.735 123.629 122.820 0.122 0.000 1.948 111 A HA -0.231 4.088 4.320 -0.001 0.000 0.220 111 A C 1.825 179.443 177.584 0.057 0.000 1.177 111 A CA 1.758 53.851 52.037 0.093 0.000 0.636 111 A CB -1.134 17.937 19.000 0.118 0.000 0.815 111 A HN 0.704 nan 8.150 nan 0.000 0.449 112 F N -1.318 118.568 119.950 -0.107 0.000 2.186 112 F HA -0.015 4.511 4.527 -0.001 0.000 0.299 112 F C 1.762 177.366 175.800 -0.325 0.000 1.090 112 F CA 1.161 59.016 58.000 -0.241 0.000 1.307 112 F CB -0.718 38.087 39.000 -0.325 0.000 1.019 112 F HN 0.103 nan 8.300 nan 0.000 0.489 113 F N 1.008 120.401 119.950 -0.930 0.000 2.186 113 F HA -0.076 4.451 4.527 -0.001 0.000 0.299 113 F C 2.285 177.885 175.800 -0.334 0.000 1.090 113 F CA 1.331 58.849 58.000 -0.803 0.000 1.307 113 F CB -0.726 37.712 39.000 -0.936 0.000 1.019 113 F HN 0.010 nan 8.300 nan 0.000 0.489 114 L N -0.983 120.213 121.223 -0.045 0.000 1.989 114 L HA -0.239 4.100 4.340 -0.001 0.000 0.211 114 L C 2.439 179.332 176.870 0.038 0.000 1.071 114 L CA 1.063 55.919 54.840 0.026 0.000 0.749 114 L CB -1.059 41.036 42.059 0.061 0.000 0.890 114 L HN -0.043 nan 8.230 nan 0.000 0.431 115 V N 0.340 120.276 119.914 0.038 0.000 2.252 115 V HA -0.352 3.767 4.120 -0.001 0.000 0.249 115 V C 2.762 178.861 176.094 0.008 0.000 1.056 115 V CA 2.084 64.428 62.300 0.073 0.000 1.022 115 V CB -0.855 31.011 31.823 0.071 0.000 0.641 115 V HN 0.524 nan 8.190 nan 0.000 0.445 116 A N -0.910 121.879 122.820 -0.053 0.000 1.969 116 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 116 A C 2.132 179.668 177.584 -0.079 0.000 1.169 116 A CA 1.818 53.796 52.037 -0.098 0.000 0.635 116 A CB -0.585 18.340 19.000 -0.125 0.000 0.810 116 A HN 0.578 nan 8.150 nan 0.000 0.445 117 D N 0.286 120.667 120.400 -0.032 0.000 2.087 117 D HA -0.169 4.471 4.640 -0.001 0.000 0.192 117 D C 1.255 177.539 176.300 -0.027 0.000 0.993 117 D CA 1.583 55.578 54.000 -0.007 0.000 0.828 117 D CB -0.242 40.574 40.800 0.027 0.000 0.968 117 D HN 0.350 nan 8.370 nan 0.000 0.448 118 D N 0.520 120.919 120.400 -0.002 0.000 2.106 118 D HA -0.167 4.473 4.640 -0.001 0.000 0.191 118 D C 2.316 178.497 176.300 -0.198 0.000 0.997 118 D CA 0.625 54.638 54.000 0.021 0.000 0.834 118 D CB -0.525 40.381 40.800 0.177 0.000 0.956 118 D HN 0.373 nan 8.370 nan 0.000 0.448 119 I N 1.204 121.499 120.570 -0.458 0.000 2.151 119 I HA -0.263 3.906 4.170 -0.001 0.000 0.243 119 I C 2.226 178.113 176.117 -0.383 0.000 1.080 119 I CA 1.067 61.888 61.300 -0.798 0.000 1.339 119 I CB -0.442 37.219 38.000 -0.565 0.000 1.039 119 I HN 0.093 nan 8.210 nan 0.000 0.409 120 M N -1.433 118.046 119.600 -0.202 0.000 2.581 120 M HA 0.160 4.640 4.480 -0.001 0.000 0.224 120 M C -0.054 176.211 176.300 -0.059 0.000 1.171 120 M CA 0.966 56.202 55.300 -0.107 0.000 0.993 120 M CB -0.145 32.416 32.600 -0.065 0.000 1.685 120 M HN -0.022 nan 8.290 nan 0.000 0.479 121 D N -0.120 120.241 120.400 -0.064 0.000 2.502 121 D HA 0.047 4.686 4.640 -0.001 0.000 0.232 121 D C 0.075 176.392 176.300 0.028 0.000 1.137 121 D CA 0.464 54.462 54.000 -0.003 0.000 0.827 121 D CB 0.575 41.387 40.800 0.020 0.000 1.141 121 D HN 0.192 nan 8.370 nan 0.000 0.517 122 Q N 0.114 119.926 119.800 0.020 0.000 2.468 122 Q HA -0.148 4.191 4.340 -0.001 0.000 0.289 122 Q C -0.138 175.988 176.000 0.211 0.000 1.299 122 Q CA 0.464 56.359 55.803 0.154 0.000 0.838 122 Q CB -2.678 26.120 28.738 0.100 0.000 1.195 122 Q HN 0.130 nan 8.270 nan 0.000 0.456 123 S N -0.301 115.541 115.700 0.236 0.000 2.617 123 S HA 0.427 4.897 4.470 -0.001 0.000 0.259 123 S C 1.321 176.036 174.600 0.191 0.000 1.301 123 S CA -0.464 57.849 58.200 0.190 0.000 0.984 123 S CB 0.615 63.916 63.200 0.169 0.000 0.954 123 S HN 0.376 nan 8.310 nan 0.000 0.572 124 L N 0.318 121.606 121.223 0.109 0.000 2.663 124 L HA 0.302 4.642 4.340 -0.001 0.000 0.218 124 L C 0.632 177.533 176.870 0.051 0.000 1.043 124 L CA 1.075 55.944 54.840 0.049 0.000 0.876 124 L CB -0.407 41.667 42.059 0.025 0.000 1.263 124 L HN 0.520 nan 8.230 nan 0.000 0.486 125 T N 0.673 115.269 114.554 0.070 0.000 2.863 125 T HA 0.626 4.976 4.350 -0.001 0.000 0.285 125 T C -0.724 174.031 174.700 0.091 0.000 1.009 125 T CA -0.429 61.714 62.100 0.072 0.000 0.989 125 T CB 2.759 71.657 68.868 0.049 0.000 1.004 125 T HN 0.054 nan 8.240 nan 0.000 0.455 126 R N 1.689 122.249 120.500 0.100 0.000 2.535 126 R HA 0.465 4.804 4.340 -0.001 0.000 0.274 126 R C -0.438 175.909 176.300 0.079 0.000 1.090 126 R CA -0.586 55.576 56.100 0.102 0.000 0.930 126 R CB 0.694 31.080 30.300 0.143 0.000 1.223 126 R HN 0.495 nan 8.270 nan 0.000 0.441 127 R N 2.947 123.482 120.500 0.058 0.000 3.525 127 R HA -0.186 4.154 4.340 -0.001 0.000 0.276 127 R C 0.513 176.821 176.300 0.015 0.000 1.116 127 R CA 1.178 57.297 56.100 0.031 0.000 0.745 127 R CB -2.077 28.232 30.300 0.015 0.000 1.185 127 R HN 1.321 nan 8.270 nan 0.000 0.454 128 G N -0.776 108.039 108.800 0.026 0.000 2.175 128 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.265 128 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.265 128 G C 0.185 175.096 174.900 0.018 0.000 0.979 128 G CA 1.199 46.310 45.100 0.017 0.000 0.663 128 G HN 0.511 nan 8.290 nan 0.000 0.533 129 Q N -1.656 118.164 119.800 0.033 0.000 2.633 129 Q HA 0.715 5.055 4.340 -0.001 0.000 0.292 129 Q C -0.664 175.405 176.000 0.114 0.000 1.089 129 Q CA -1.247 54.590 55.803 0.056 0.000 0.811 129 Q CB 1.641 30.382 28.738 0.005 0.000 1.472 129 Q HN 0.252 nan 8.270 nan 0.000 0.464 130 L N 1.152 122.467 121.223 0.154 0.000 2.319 130 L HA 0.207 4.547 4.340 -0.001 0.000 0.280 130 L C -0.763 176.215 176.870 0.181 0.000 1.099 130 L CA 0.011 54.919 54.840 0.114 0.000 0.828 130 L CB 0.360 42.448 42.059 0.047 0.000 1.150 130 L HN 0.714 nan 8.230 nan 0.000 0.442 131 C N 4.883 124.254 119.300 0.119 0.000 2.568 131 C HA -0.148 4.311 4.460 -0.001 0.000 0.401 131 C C 1.584 176.646 174.990 0.120 0.000 1.338 131 C CA -0.098 59.038 59.018 0.197 0.000 1.721 131 C CB -0.629 27.258 27.740 0.245 0.000 2.624 131 C HN 1.018 nan 8.230 nan 0.000 0.614 132 W N 1.878 123.215 121.300 0.062 0.000 2.317 132 W HA -0.162 4.498 4.660 -0.000 0.000 0.318 132 W C 2.443 178.898 176.519 -0.106 0.000 1.227 132 W CA 2.226 59.492 57.345 -0.131 0.000 1.269 132 W CB -0.916 28.492 29.460 -0.086 0.000 1.155 132 W HN 0.926 nan 8.180 nan 0.000 0.484 133 Y N -0.292 119.977 120.300 -0.051 0.000 2.224 133 Y HA -0.103 4.447 4.550 -0.001 0.000 0.289 133 Y C 1.938 177.725 175.900 -0.188 0.000 1.146 133 Y CA 1.650 59.668 58.100 -0.137 0.000 1.182 133 Y CB -1.407 37.036 38.460 -0.029 0.000 0.983 133 Y HN -0.265 nan 8.280 nan 0.000 0.524 134 K N 1.555 121.328 120.400 -1.044 0.000 2.360 134 K HA -0.034 4.286 4.320 -0.001 0.000 0.201 134 K C 0.343 176.676 176.600 -0.446 0.000 1.046 134 K CA 0.599 56.434 56.287 -0.753 0.000 0.945 134 K CB -0.241 31.878 32.500 -0.635 0.000 0.750 134 K HN 0.485 nan 8.250 nan 0.000 0.464 135 K N 2.530 122.637 120.400 -0.488 0.000 2.355 135 K HA -0.035 4.284 4.320 -0.001 0.000 0.270 135 K C 0.522 176.892 176.600 -0.384 0.000 1.003 135 K CA -0.061 55.957 56.287 -0.449 0.000 0.957 135 K CB 0.452 32.552 32.500 -0.666 0.000 0.939 135 K HN 0.125 nan 8.250 nan 0.000 0.482 136 E N 1.182 121.217 120.200 -0.275 0.000 2.436 136 E HA -0.059 4.291 4.350 -0.001 0.000 0.262 136 E C 0.954 177.415 176.600 -0.230 0.000 1.063 136 E CA 0.660 56.937 56.400 -0.205 0.000 0.944 136 E CB 0.189 29.803 29.700 -0.143 0.000 0.950 136 E HN 0.820 nan 8.360 nan 0.000 0.444 137 G N 1.379 110.076 108.800 -0.172 0.000 2.562 137 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.241 137 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.241 137 G C 0.872 175.659 174.900 -0.188 0.000 1.120 137 G CA 0.656 45.663 45.100 -0.155 0.000 0.673 137 G HN 0.452 nan 8.290 nan 0.000 0.519 138 V N 0.896 120.626 119.914 -0.306 0.000 2.295 138 V HA 0.432 4.552 4.120 -0.001 0.000 0.212 138 V C 2.826 178.812 176.094 -0.180 0.000 1.025 138 V CA 2.840 64.922 62.300 -0.363 0.000 1.060 138 V CB -1.215 30.156 31.823 -0.754 0.000 0.674 138 V HN 2.175 nan 8.190 nan 0.000 0.470 139 G N -0.344 108.366 108.800 -0.151 0.000 2.687 139 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.303 139 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.303 139 G C 0.492 175.449 174.900 0.095 0.000 1.209 139 G CA 0.590 45.694 45.100 0.006 0.000 0.968 139 G HN 0.407 nan 8.290 nan 0.000 0.549 140 L N 2.335 123.584 121.223 0.043 0.000 2.558 140 L HA 0.298 4.638 4.340 -0.001 0.000 0.225 140 L C 2.085 178.970 176.870 0.026 0.000 1.128 140 L CA 1.764 56.623 54.840 0.032 0.000 0.868 140 L CB -0.269 41.800 42.059 0.017 0.000 1.006 140 L HN 0.472 nan 8.230 nan 0.000 0.454 141 D N -0.232 120.186 120.400 0.031 0.000 2.219 141 D HA -0.089 4.550 4.640 -0.001 0.000 0.205 141 D C 2.243 178.604 176.300 0.103 0.000 0.970 141 D CA 1.088 55.121 54.000 0.055 0.000 0.851 141 D CB 0.090 40.920 40.800 0.049 0.000 0.943 141 D HN 0.277 nan 8.370 nan 0.000 0.488 142 A N 0.817 123.717 122.820 0.133 0.000 2.042 142 A HA -0.215 4.105 4.320 -0.001 0.000 0.222 142 A C 2.270 179.893 177.584 0.066 0.000 1.167 142 A CA 0.941 53.112 52.037 0.223 0.000 0.649 142 A CB -0.735 18.432 19.000 0.278 0.000 0.809 142 A HN 0.242 nan 8.150 nan 0.000 0.457 143 I N -0.661 119.887 120.570 -0.037 0.000 2.113 143 I HA -0.279 3.891 4.170 -0.001 0.000 0.238 143 I C 2.330 178.275 176.117 -0.287 0.000 1.070 143 I CA 1.865 63.042 61.300 -0.206 0.000 1.332 143 I CB -0.473 37.400 38.000 -0.212 0.000 1.044 143 I HN 0.419 nan 8.210 nan 0.000 0.402 144 N N 0.687 119.335 118.700 -0.087 0.000 2.443 144 N HA -0.185 4.555 4.740 -0.001 0.000 0.184 144 N C 1.058 176.614 175.510 0.076 0.000 1.037 144 N CA 1.105 54.196 53.050 0.068 0.000 0.896 144 N CB 0.009 38.575 38.487 0.133 0.000 0.959 144 N HN 0.276 nan 8.380 nan 0.000 0.442 145 D N -1.753 118.673 120.400 0.042 0.000 2.354 145 D HA 0.025 4.665 4.640 -0.001 0.000 0.209 145 D C 1.471 177.757 176.300 -0.023 0.000 1.015 145 D CA 0.234 54.255 54.000 0.034 0.000 0.867 145 D CB -0.028 40.819 40.800 0.078 0.000 0.933 145 D HN 0.128 nan 8.370 nan 0.000 0.520 146 S N -0.294 115.361 115.700 -0.076 0.000 2.362 146 S HA -0.071 4.399 4.470 -0.001 0.000 0.221 146 S C 1.662 176.209 174.600 -0.088 0.000 1.032 146 S CA 0.411 58.564 58.200 -0.078 0.000 0.973 146 S CB -0.163 62.937 63.200 -0.168 0.000 0.849 146 S HN -0.017 nan 8.310 nan 0.000 0.465 147 F N 2.207 122.095 119.950 -0.104 0.000 2.091 147 F HA -0.044 4.482 4.527 -0.001 0.000 0.299 147 F C 2.130 177.815 175.800 -0.193 0.000 1.103 147 F CA 0.762 58.654 58.000 -0.181 0.000 1.228 147 F CB -1.050 37.892 39.000 -0.097 0.000 0.984 147 F HN 0.200 nan 8.300 nan 0.000 0.477 148 L N -0.927 120.345 121.223 0.081 0.000 2.083 148 L HA -0.236 4.104 4.340 -0.001 0.000 0.209 148 L C 2.426 179.267 176.870 -0.049 0.000 1.083 148 L CA 0.998 55.843 54.840 0.009 0.000 0.752 148 L CB -0.672 41.396 42.059 0.016 0.000 0.899 148 L HN 0.156 nan 8.230 nan 0.000 0.433 149 L N -0.292 120.893 121.223 -0.064 0.000 2.093 149 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 149 L C 2.659 179.454 176.870 -0.126 0.000 1.085 149 L CA 1.464 56.271 54.840 -0.055 0.000 0.755 149 L CB -0.477 41.588 42.059 0.010 0.000 0.904 149 L HN 0.332 nan 8.230 nan 0.000 0.435 150 E N -0.641 119.362 120.200 -0.329 0.000 2.110 150 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 150 E C 2.214 178.659 176.600 -0.259 0.000 0.988 150 E CA 1.410 57.458 56.400 -0.586 0.000 0.804 150 E CB -0.089 28.843 29.700 -1.280 0.000 0.745 150 E HN 0.299 nan 8.360 nan 0.000 0.458 151 S N -0.539 115.081 115.700 -0.132 0.000 2.474 151 S HA -0.054 4.415 4.470 -0.001 0.000 0.235 151 S C 1.781 176.373 174.600 -0.013 0.000 0.997 151 S CA 1.151 59.346 58.200 -0.009 0.000 0.949 151 S CB -0.138 63.055 63.200 -0.012 0.000 0.766 151 S HN 0.302 nan 8.310 nan 0.000 0.517 152 S N 0.232 115.887 115.700 -0.074 0.000 2.446 152 S HA 0.069 4.539 4.470 -0.001 0.000 0.225 152 S C 1.748 176.278 174.600 -0.117 0.000 1.016 152 S CA 0.594 58.756 58.200 -0.064 0.000 0.943 152 S CB -0.011 63.159 63.200 -0.050 0.000 0.786 152 S HN 0.406 nan 8.310 nan 0.000 0.508 153 V N 0.814 120.571 119.914 -0.262 0.000 2.407 153 V HA -0.175 3.944 4.120 -0.001 0.000 0.248 153 V C 1.710 177.475 176.094 -0.549 0.000 1.055 153 V CA 1.637 63.647 62.300 -0.483 0.000 1.049 153 V CB -0.761 30.616 31.823 -0.743 0.000 0.662 153 V HN 0.523 nan 8.190 nan 0.000 0.455 154 Y N -0.193 120.072 120.300 -0.058 0.000 2.475 154 Y HA 0.104 4.654 4.550 -0.001 0.000 0.289 154 Y C 2.502 178.434 175.900 0.054 0.000 1.121 154 Y CA 0.344 58.441 58.100 -0.005 0.000 1.257 154 Y CB -0.324 38.133 38.460 -0.005 0.000 1.026 154 Y HN 0.106 nan 8.280 nan 0.000 0.555 155 R N -0.886 119.690 120.500 0.127 0.000 2.200 155 R HA 0.004 4.344 4.340 -0.001 0.000 0.208 155 R C 1.891 178.269 176.300 0.131 0.000 1.033 155 R CA 0.792 56.962 56.100 0.116 0.000 1.000 155 R CB -0.236 30.102 30.300 0.062 0.000 0.906 155 R HN 0.212 nan 8.270 nan 0.000 0.462 156 V N 1.337 121.316 119.914 0.108 0.000 2.488 156 V HA -0.142 3.977 4.120 -0.001 0.000 0.246 156 V C 2.278 178.533 176.094 0.268 0.000 1.046 156 V CA 1.234 63.635 62.300 0.168 0.000 1.053 156 V CB -0.236 31.627 31.823 0.066 0.000 0.679 156 V HN 0.239 nan 8.190 nan 0.000 0.458 157 L N 0.095 121.451 121.223 0.221 0.000 2.012 157 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 157 L C 2.570 179.694 176.870 0.424 0.000 1.073 157 L CA 2.215 57.260 54.840 0.343 0.000 0.748 157 L CB -0.589 41.681 42.059 0.351 0.000 0.891 157 L HN 0.316 nan 8.230 nan 0.000 0.431 158 K N -0.127 120.499 120.400 0.376 0.000 2.147 158 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 158 K C 2.237 178.911 176.600 0.123 0.000 1.049 158 K CA 1.058 57.509 56.287 0.274 0.000 0.936 158 K CB 0.145 32.789 32.500 0.240 0.000 0.722 158 K HN 0.052 nan 8.250 nan 0.000 0.446 159 K N -0.232 120.271 120.400 0.172 0.000 2.062 159 K HA -0.113 4.207 4.320 -0.001 0.000 0.205 159 K C 1.935 178.483 176.600 -0.086 0.000 1.051 159 K CA 1.443 57.761 56.287 0.052 0.000 0.941 159 K CB -0.116 32.464 32.500 0.134 0.000 0.719 159 K HN 0.257 nan 8.250 nan 0.000 0.440 160 Y N -0.867 119.490 120.300 0.095 0.000 2.397 160 Y HA -0.055 4.494 4.550 -0.001 0.000 0.292 160 Y C 2.000 177.960 175.900 0.099 0.000 1.115 160 Y CA 0.451 58.618 58.100 0.111 0.000 1.208 160 Y CB 0.201 38.759 38.460 0.164 0.000 1.046 160 Y HN 0.033 nan 8.280 nan 0.000 0.552 161 C N -1.193 118.243 119.300 0.227 0.000 3.385 161 C HA 0.279 4.738 4.460 -0.001 0.000 0.288 161 C C 2.260 177.126 174.990 -0.207 0.000 1.429 161 C CA -0.761 58.340 59.018 0.138 0.000 1.778 161 C CB -0.685 27.335 27.740 0.467 0.000 2.503 161 C HN 0.391 nan 8.230 nan 0.000 0.646 162 R N 1.494 121.744 120.500 -0.417 0.000 2.152 162 R HA -0.089 4.251 4.340 -0.001 0.000 0.232 162 R C 0.623 176.554 176.300 -0.615 0.000 1.117 162 R CA 1.153 56.691 56.100 -0.937 0.000 0.981 162 R CB 0.105 30.070 30.300 -0.558 0.000 0.870 162 R HN 0.501 nan 8.270 nan 0.000 0.451 163 Q N 1.225 120.823 119.800 -0.336 0.000 2.923 163 Q HA 0.235 4.575 4.340 -0.001 0.000 0.363 163 Q C -0.817 175.056 176.000 -0.211 0.000 1.159 163 Q CA 0.000 55.670 55.803 -0.222 0.000 1.073 163 Q CB 1.056 29.704 28.738 -0.150 0.000 1.364 163 Q HN 0.059 nan 8.270 nan 0.000 0.466 164 R N 0.889 121.228 120.500 -0.268 0.000 2.651 164 R HA 0.334 4.674 4.340 -0.001 0.000 0.278 164 R C -1.854 174.285 176.300 -0.268 0.000 1.010 164 R CA -1.636 54.236 56.100 -0.381 0.000 0.896 164 R CB 1.538 31.324 30.300 -0.857 0.000 1.211 164 R HN -0.023 nan 8.270 nan 0.000 0.456 165 P HA -0.147 nan 4.420 nan 0.000 0.218 165 P C 0.991 178.371 177.300 0.133 0.000 1.149 165 P CA 1.444 64.548 63.100 0.006 0.000 0.817 165 P CB 0.059 31.798 31.700 0.064 0.000 0.785 166 Y N -2.360 118.086 120.300 0.243 0.000 2.516 166 Y HA -0.052 4.497 4.550 -0.001 0.000 0.291 166 Y C 2.468 178.550 175.900 0.304 0.000 1.131 166 Y CA -0.759 57.523 58.100 0.304 0.000 1.281 166 Y CB -2.001 36.602 38.460 0.238 0.000 1.013 166 Y HN -0.179 nan 8.280 nan 0.000 0.554 167 Y N 1.585 121.966 120.300 0.135 0.000 1.929 167 Y HA -0.403 4.146 4.550 -0.001 0.000 0.247 167 Y C 2.589 178.569 175.900 0.132 0.000 1.176 167 Y CA 2.427 60.622 58.100 0.157 0.000 1.075 167 Y CB -1.074 37.403 38.460 0.029 0.000 0.907 167 Y HN 0.041 nan 8.280 nan 0.000 0.499 168 V N 0.990 120.899 119.914 -0.008 0.000 2.944 168 V HA -0.294 3.826 4.120 -0.001 0.000 0.265 168 V C 2.195 178.133 176.094 -0.260 0.000 1.125 168 V CA 2.173 64.328 62.300 -0.243 0.000 1.145 168 V CB -0.830 30.896 31.823 -0.162 0.000 0.725 168 V HN 0.572 nan 8.190 nan 0.000 0.510 169 H N -1.143 117.824 119.070 -0.171 0.000 2.355 169 H HA 0.067 4.623 4.556 -0.001 0.000 0.303 169 H C 2.259 177.312 175.328 -0.458 0.000 1.061 169 H CA 1.552 57.332 56.048 -0.447 0.000 1.368 169 H CB 0.088 29.379 29.762 -0.785 0.000 1.412 169 H HN 0.348 nan 8.280 nan 0.000 0.523 170 L N 0.237 121.419 121.223 -0.069 0.000 1.994 170 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 170 L C 2.603 179.536 176.870 0.106 0.000 1.071 170 L CA 0.741 55.593 54.840 0.021 0.000 0.745 170 L CB -0.483 41.727 42.059 0.251 0.000 0.892 170 L HN 0.144 nan 8.230 nan 0.000 0.431 171 L N 0.074 121.316 121.223 0.031 0.000 2.013 171 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 171 L C 2.557 179.448 176.870 0.035 0.000 1.073 171 L CA 1.853 56.708 54.840 0.024 0.000 0.753 171 L CB -0.555 41.327 42.059 -0.294 0.000 0.890 171 L HN 0.248 nan 8.230 nan 0.000 0.432 172 E N -1.302 118.858 120.200 -0.067 0.000 2.107 172 E HA -0.224 4.126 4.350 -0.001 0.000 0.191 172 E C 2.108 178.710 176.600 0.003 0.000 0.982 172 E CA 0.975 57.345 56.400 -0.050 0.000 0.809 172 E CB -0.211 29.429 29.700 -0.099 0.000 0.756 172 E HN 0.332 nan 8.360 nan 0.000 0.459 173 L N 0.449 121.646 121.223 -0.044 0.000 1.989 173 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 173 L C 1.978 178.821 176.870 -0.045 0.000 1.071 173 L CA 1.743 56.534 54.840 -0.081 0.000 0.749 173 L CB -0.503 41.428 42.059 -0.213 0.000 0.890 173 L HN -0.023 nan 8.230 nan 0.000 0.431 174 F N -0.764 119.249 119.950 0.107 0.000 2.051 174 F HA -0.215 4.312 4.527 -0.000 0.000 0.296 174 F C 2.245 178.261 175.800 0.361 0.000 1.122 174 F CA 1.254 59.363 58.000 0.181 0.000 1.201 174 F CB -1.065 38.112 39.000 0.294 0.000 0.978 174 F HN 0.012 nan 8.300 nan 0.000 0.472 175 L N 0.166 121.710 121.223 0.536 0.000 2.351 175 L HA -0.217 4.122 4.340 -0.001 0.000 0.220 175 L C 2.248 179.304 176.870 0.309 0.000 1.127 175 L CA 1.608 56.667 54.840 0.364 0.000 0.786 175 L CB -1.692 40.425 42.059 0.096 0.000 0.914 175 L HN 0.380 nan 8.230 nan 0.000 0.443 176 Q N -0.705 119.241 119.800 0.243 0.000 2.178 176 Q HA -0.109 4.231 4.340 -0.001 0.000 0.195 176 Q C 2.109 178.261 176.000 0.253 0.000 0.960 176 Q CA 1.740 57.655 55.803 0.186 0.000 0.843 176 Q CB -0.193 28.582 28.738 0.061 0.000 0.927 176 Q HN 0.467 nan 8.270 nan 0.000 0.487 177 T N -1.537 113.140 114.554 0.205 0.000 2.833 177 T HA -0.019 4.331 4.350 -0.001 0.000 0.269 177 T C 1.874 176.889 174.700 0.526 0.000 1.054 177 T CA 1.078 63.309 62.100 0.218 0.000 1.135 177 T CB -0.589 68.342 68.868 0.105 0.000 0.869 177 T HN 0.381 nan 8.240 nan 0.000 0.466 178 A N 0.301 123.590 122.820 0.782 0.000 2.019 178 A HA 0.020 4.340 4.320 -0.001 0.000 0.219 178 A C 2.110 180.080 177.584 0.643 0.000 1.164 178 A CA 1.386 54.017 52.037 0.990 0.000 0.644 178 A CB -1.048 18.557 19.000 1.009 0.000 0.805 178 A HN 0.693 nan 8.150 nan 0.000 0.449 179 Y N 0.215 120.738 120.300 0.372 0.000 2.337 179 Y HA -0.076 4.474 4.550 -0.000 0.000 0.293 179 Y C 2.320 178.359 175.900 0.232 0.000 1.123 179 Y CA 1.895 60.151 58.100 0.261 0.000 1.201 179 Y CB -0.181 38.385 38.460 0.177 0.000 1.011 179 Y HN 0.415 nan 8.280 nan 0.000 0.545 180 Q N -0.638 119.302 119.800 0.234 0.000 2.137 180 Q HA -0.105 4.235 4.340 -0.001 0.000 0.198 180 Q C 2.304 178.449 176.000 0.242 0.000 0.960 180 Q CA 2.057 57.992 55.803 0.219 0.000 0.847 180 Q CB -0.174 28.617 28.738 0.088 0.000 0.915 180 Q HN 0.612 nan 8.270 nan 0.000 0.448 181 T N -1.186 113.469 114.554 0.169 0.000 2.777 181 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 181 T C 1.554 176.176 174.700 -0.130 0.000 1.040 181 T CA 1.180 63.255 62.100 -0.041 0.000 1.141 181 T CB -0.212 68.406 68.868 -0.415 0.000 0.868 181 T HN 0.212 nan 8.240 nan 0.000 0.444 182 E N 0.962 121.152 120.200 -0.017 0.000 2.130 182 E HA -0.058 4.292 4.350 -0.001 0.000 0.196 182 E C 2.196 178.768 176.600 -0.046 0.000 0.998 182 E CA 1.130 57.576 56.400 0.078 0.000 0.806 182 E CB -0.364 29.463 29.700 0.211 0.000 0.738 182 E HN 0.474 nan 8.360 nan 0.000 0.459 183 L N -0.064 121.069 121.223 -0.150 0.000 2.005 183 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 183 L C 2.564 179.356 176.870 -0.130 0.000 1.072 183 L CA 1.341 56.054 54.840 -0.213 0.000 0.744 183 L CB -0.651 41.200 42.059 -0.347 0.000 0.895 183 L HN 0.263 nan 8.230 nan 0.000 0.433 184 G N -1.161 107.620 108.800 -0.032 0.000 2.422 184 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.218 184 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.218 184 G C 1.447 176.336 174.900 -0.018 0.000 1.146 184 G CA 0.742 45.845 45.100 0.006 0.000 0.769 184 G HN 0.339 nan 8.290 nan 0.000 0.547 185 Q N -0.471 119.311 119.800 -0.029 0.000 2.135 185 Q HA -0.045 4.295 4.340 -0.001 0.000 0.204 185 Q C 2.339 178.336 176.000 -0.006 0.000 0.981 185 Q CA 1.560 57.351 55.803 -0.020 0.000 0.856 185 Q CB -0.235 28.498 28.738 -0.008 0.000 0.902 185 Q HN 0.535 nan 8.270 nan 0.000 0.425 186 M N -0.854 118.735 119.600 -0.019 0.000 2.388 186 M HA -0.043 4.436 4.480 -0.001 0.000 0.265 186 M C 1.422 177.705 176.300 -0.028 0.000 1.088 186 M CA 0.814 56.104 55.300 -0.016 0.000 1.134 186 M CB 0.134 32.721 32.600 -0.022 0.000 1.384 186 M HN 0.346 nan 8.290 nan 0.000 0.447 187 L N 0.107 121.299 121.223 -0.051 0.000 2.083 187 L HA -0.238 4.102 4.340 -0.001 0.000 0.209 187 L C 2.090 178.941 176.870 -0.031 0.000 1.083 187 L CA 1.365 56.171 54.840 -0.057 0.000 0.752 187 L CB -0.901 41.111 42.059 -0.078 0.000 0.899 187 L HN 0.337 nan 8.230 nan 0.000 0.433 188 D N 0.295 120.683 120.400 -0.019 0.000 2.077 188 D HA -0.163 4.477 4.640 -0.001 0.000 0.193 188 D C 2.046 178.354 176.300 0.013 0.000 0.989 188 D CA 1.092 55.088 54.000 -0.008 0.000 0.831 188 D CB -0.032 40.769 40.800 0.002 0.000 0.979 188 D HN 0.021 nan 8.370 nan 0.000 0.449 189 L N 0.559 121.792 121.223 0.018 0.000 2.450 189 L HA -0.115 4.225 4.340 -0.001 0.000 0.225 189 L C 2.121 179.017 176.870 0.043 0.000 1.145 189 L CA 0.910 55.769 54.840 0.031 0.000 0.801 189 L CB -0.411 41.662 42.059 0.024 0.000 0.924 189 L HN 0.210 nan 8.230 nan 0.000 0.447 190 I N -2.567 118.026 120.570 0.037 0.000 2.834 190 I HA -0.149 4.020 4.170 -0.001 0.000 0.239 190 I C 2.189 178.368 176.117 0.104 0.000 1.073 190 I CA 0.554 61.886 61.300 0.052 0.000 1.459 190 I CB -0.418 37.589 38.000 0.011 0.000 1.288 190 I HN 0.006 nan 8.210 nan 0.000 0.455 191 T N 1.379 115.974 114.554 0.069 0.000 2.624 191 T HA -0.234 4.116 4.350 -0.001 0.000 0.266 191 T C 0.916 175.800 174.700 0.307 0.000 1.050 191 T CA 1.786 63.968 62.100 0.138 0.000 1.163 191 T CB -0.358 68.518 68.868 0.013 0.000 0.861 191 T HN 0.408 nan 8.240 nan 0.000 0.443 192 A N 3.247 126.179 122.820 0.186 0.000 2.880 192 A HA 0.511 4.831 4.320 -0.001 0.000 0.328 192 A C -2.479 175.237 177.584 0.221 0.000 1.440 192 A CA -1.352 50.863 52.037 0.296 0.000 1.068 192 A CB 0.364 19.444 19.000 0.133 0.000 1.163 192 A HN 0.278 nan 8.150 nan 0.000 0.510 193 P HA 0.228 nan 4.420 nan 0.000 0.305 193 P C 0.957 178.310 177.300 0.088 0.000 1.378 193 P CA -0.483 62.692 63.100 0.125 0.000 0.926 193 P CB 2.185 33.954 31.700 0.114 0.000 1.051 194 V N 3.522 123.469 119.914 0.054 0.000 2.252 194 V HA -0.330 3.789 4.120 -0.001 0.000 0.249 194 V C 2.192 178.288 176.094 0.003 0.000 1.056 194 V CA 3.453 65.763 62.300 0.018 0.000 1.022 194 V CB -1.170 30.657 31.823 0.007 0.000 0.641 194 V HN 0.873 nan 8.190 nan 0.000 0.445 195 S N 0.553 116.260 115.700 0.011 0.000 2.180 195 S HA -0.458 4.011 4.470 -0.001 0.000 0.422 195 S C 1.847 176.439 174.600 -0.013 0.000 1.021 195 S CA 2.656 60.858 58.200 0.003 0.000 2.417 195 S CB -1.002 62.207 63.200 0.015 0.000 1.807 195 S HN 0.600 nan 8.310 nan 0.000 0.507 196 K N 0.306 120.695 120.400 -0.017 0.000 2.358 196 K HA 0.489 4.809 4.320 -0.001 0.000 0.197 196 K C 1.125 177.688 176.600 -0.062 0.000 1.025 196 K CA 0.640 56.902 56.287 -0.042 0.000 1.104 196 K CB 0.064 32.534 32.500 -0.049 0.000 0.855 196 K HN 0.513 nan 8.250 nan 0.000 0.531 197 V N -0.545 119.345 119.914 -0.039 0.000 0.516 197 V HA -0.445 3.675 4.120 -0.001 0.000 0.092 197 V C -0.744 175.299 176.094 -0.085 0.000 2.243 197 V CA 1.822 64.090 62.300 -0.052 0.000 3.573 197 V CB -1.109 30.641 31.823 -0.121 0.000 0.862 197 V HN 0.625 nan 8.190 nan 0.000 0.902 198 D N -1.631 118.675 120.400 -0.157 0.000 9.054 198 D HA -0.146 4.494 4.640 -0.001 0.000 0.288 198 D C -0.299 175.751 176.300 -0.418 0.000 2.510 198 D CA 1.150 55.013 54.000 -0.229 0.000 2.292 198 D CB -0.307 40.357 40.800 -0.226 0.000 0.976 198 D HN 0.423 nan 8.370 nan 0.000 0.698 199 L N 1.869 122.879 121.223 -0.355 0.000 2.693 199 L HA 0.080 4.419 4.340 -0.001 0.000 0.235 199 L C 2.211 178.991 176.870 -0.149 0.000 1.127 199 L CA 0.708 55.306 54.840 -0.404 0.000 0.914 199 L CB 0.142 42.040 42.059 -0.268 0.000 1.193 199 L HN 0.510 nan 8.230 nan 0.000 0.502 200 S N -2.334 113.287 115.700 -0.131 0.000 2.489 200 S HA -0.071 4.399 4.470 -0.001 0.000 0.228 200 S C 1.704 176.394 174.600 0.150 0.000 0.995 200 S CA 0.645 58.821 58.200 -0.041 0.000 0.934 200 S CB -0.316 62.809 63.200 -0.125 0.000 0.771 200 S HN 0.410 nan 8.310 nan 0.000 0.522 201 H N 0.380 119.551 119.070 0.167 0.000 2.476 201 H HA 0.375 4.930 4.556 -0.000 0.000 0.292 201 H C -0.231 175.323 175.328 0.377 0.000 1.019 201 H CA -0.950 55.258 56.048 0.266 0.000 1.330 201 H CB -0.509 29.437 29.762 0.306 0.000 1.451 201 H HN 0.374 nan 8.280 nan 0.000 0.535 202 F N 3.110 123.163 119.950 0.171 0.000 2.574 202 F HA 0.119 4.646 4.527 -0.000 0.000 0.332 202 F C 1.155 176.986 175.800 0.053 0.000 1.289 202 F CA -0.449 57.611 58.000 0.100 0.000 1.029 202 F CB -1.199 37.831 39.000 0.050 0.000 1.346 202 F HN -0.046 nan 8.300 nan 0.000 0.647 203 S N 0.491 116.319 115.700 0.214 0.000 2.715 203 S HA 0.448 4.917 4.470 -0.001 0.000 0.307 203 S C 1.016 175.696 174.600 0.134 0.000 1.119 203 S CA -0.866 57.415 58.200 0.134 0.000 0.937 203 S CB 2.213 65.488 63.200 0.126 0.000 1.150 203 S HN 0.331 nan 8.310 nan 0.000 0.521 204 E N 0.787 121.048 120.200 0.102 0.000 2.012 204 E HA -0.155 4.195 4.350 -0.001 0.000 0.197 204 E C 1.632 178.340 176.600 0.181 0.000 1.007 204 E CA 1.375 57.864 56.400 0.149 0.000 0.816 204 E CB -0.291 29.475 29.700 0.110 0.000 0.762 204 E HN 0.706 nan 8.360 nan 0.000 0.451 205 E N 0.326 120.600 120.200 0.123 0.000 2.268 205 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 205 E C 2.075 178.723 176.600 0.080 0.000 0.995 205 E CA 0.557 57.015 56.400 0.097 0.000 0.836 205 E CB -0.019 29.725 29.700 0.073 0.000 0.763 205 E HN 0.005 nan 8.360 nan 0.000 0.491 206 R N -0.378 120.176 120.500 0.089 0.000 2.127 206 R HA -0.104 4.235 4.340 -0.001 0.000 0.217 206 R C 2.168 178.510 176.300 0.070 0.000 1.074 206 R CA 0.859 56.994 56.100 0.057 0.000 0.991 206 R CB -0.731 29.597 30.300 0.047 0.000 0.895 206 R HN 0.150 nan 8.270 nan 0.000 0.450 207 Y N 1.171 121.485 120.300 0.024 0.000 2.133 207 Y HA -0.055 4.494 4.550 -0.000 0.000 0.287 207 Y C 1.666 177.606 175.900 0.068 0.000 1.134 207 Y CA 1.802 59.917 58.100 0.026 0.000 1.133 207 Y CB -0.260 38.232 38.460 0.054 0.000 0.987 207 Y HN -0.030 nan 8.280 nan 0.000 0.502 208 K N 0.153 120.459 120.400 -0.157 0.000 2.034 208 K HA -0.244 4.076 4.320 -0.001 0.000 0.214 208 K C 2.254 178.769 176.600 -0.141 0.000 1.051 208 K CA 1.637 57.811 56.287 -0.188 0.000 0.931 208 K CB -0.623 31.889 32.500 0.021 0.000 0.715 208 K HN 0.440 nan 8.250 nan 0.000 0.446 209 A N 0.733 123.534 122.820 -0.032 0.000 2.131 209 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 209 A C 1.917 179.533 177.584 0.054 0.000 1.158 209 A CA 1.303 53.368 52.037 0.047 0.000 0.665 209 A CB -0.507 18.515 19.000 0.037 0.000 0.795 209 A HN 0.263 nan 8.150 nan 0.000 0.460 210 I N -1.267 119.270 120.570 -0.055 0.000 2.731 210 I HA -0.090 4.080 4.170 -0.001 0.000 0.260 210 I C 2.095 178.181 176.117 -0.052 0.000 1.138 210 I CA 0.432 61.710 61.300 -0.038 0.000 1.461 210 I CB -0.003 37.964 38.000 -0.055 0.000 1.128 210 I HN 0.115 nan 8.210 nan 0.000 0.438 211 V N 1.175 120.972 119.914 -0.194 0.000 2.407 211 V HA -0.286 3.834 4.120 -0.001 0.000 0.248 211 V C 2.450 178.483 176.094 -0.102 0.000 1.055 211 V CA 1.792 63.993 62.300 -0.164 0.000 1.049 211 V CB -0.754 30.883 31.823 -0.311 0.000 0.662 211 V HN 0.378 nan 8.190 nan 0.000 0.455 212 K N -0.596 119.723 120.400 -0.134 0.000 1.965 212 K HA -0.191 4.128 4.320 -0.001 0.000 0.214 212 K C 2.278 178.696 176.600 -0.303 0.000 1.046 212 K CA 2.112 58.221 56.287 -0.297 0.000 0.944 212 K CB -0.369 31.965 32.500 -0.276 0.000 0.726 212 K HN 0.415 nan 8.250 nan 0.000 0.441 213 Y N 0.950 121.222 120.300 -0.046 0.000 2.109 213 Y HA -0.146 4.404 4.550 -0.000 0.000 0.285 213 Y C 2.477 178.475 175.900 0.164 0.000 1.131 213 Y CA 1.656 59.879 58.100 0.205 0.000 1.121 213 Y CB -0.328 38.233 38.460 0.169 0.000 0.987 213 Y HN 0.118 nan 8.280 nan 0.000 0.495 214 K N -0.871 119.663 120.400 0.222 0.000 2.147 214 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 214 K C 1.054 177.757 176.600 0.172 0.000 1.049 214 K CA 1.933 58.288 56.287 0.114 0.000 0.936 214 K CB -0.016 32.517 32.500 0.054 0.000 0.722 214 K HN 0.339 nan 8.250 nan 0.000 0.446 215 T N -1.056 113.598 114.554 0.168 0.000 3.280 215 T HA 0.198 4.548 4.350 -0.001 0.000 0.256 215 T C 1.618 176.380 174.700 0.103 0.000 0.995 215 T CA 0.298 62.514 62.100 0.193 0.000 1.144 215 T CB -0.180 68.791 68.868 0.171 0.000 1.140 215 T HN 0.226 nan 8.240 nan 0.000 0.423 216 A N 1.789 124.624 122.820 0.025 0.000 1.884 216 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 216 A C 1.860 179.464 177.584 0.033 0.000 1.197 216 A CA 1.887 53.922 52.037 -0.003 0.000 0.637 216 A CB -1.251 17.597 19.000 -0.253 0.000 0.827 216 A HN 0.354 nan 8.150 nan 0.000 0.450 217 F N -0.762 119.224 119.950 0.060 0.000 2.015 217 F HA -0.266 4.261 4.527 -0.001 0.000 0.297 217 F C 2.459 178.336 175.800 0.128 0.000 1.141 217 F CA 1.946 59.998 58.000 0.087 0.000 1.192 217 F CB -1.577 37.453 39.000 0.049 0.000 0.957 217 F HN 0.575 nan 8.300 nan 0.000 0.491 218 Y N -1.004 119.468 120.300 0.288 0.000 2.561 218 Y HA 0.147 4.697 4.550 -0.000 0.000 0.291 218 Y C 1.859 177.785 175.900 0.042 0.000 1.141 218 Y CA 0.682 58.875 58.100 0.156 0.000 1.303 218 Y CB -0.982 37.664 38.460 0.311 0.000 1.015 218 Y HN -0.022 nan 8.280 nan 0.000 0.547 219 S N -0.434 114.802 115.700 -0.774 0.000 2.441 219 S HA 0.128 4.598 4.470 -0.001 0.000 0.224 219 S C 1.044 175.104 174.600 -0.900 0.000 1.043 219 S CA 0.897 58.495 58.200 -1.003 0.000 0.948 219 S CB -0.252 62.374 63.200 -0.956 0.000 0.810 219 S HN 0.467 nan 8.310 nan 0.000 0.504 220 F N -1.038 118.777 119.950 -0.226 0.000 2.532 220 F HA 0.322 4.849 4.527 -0.001 0.000 0.276 220 F C 1.994 177.770 175.800 -0.040 0.000 0.911 220 F CA -0.429 57.495 58.000 -0.126 0.000 1.196 220 F CB -0.813 38.129 39.000 -0.097 0.000 1.087 220 F HN 0.058 nan 8.300 nan 0.000 0.775 221 Y N 1.327 121.700 120.300 0.122 0.000 2.089 221 Y HA -0.255 4.295 4.550 -0.001 0.000 0.282 221 Y C 2.409 178.307 175.900 -0.003 0.000 1.139 221 Y CA 1.677 59.826 58.100 0.082 0.000 1.123 221 Y CB -0.820 37.729 38.460 0.149 0.000 0.980 221 Y HN 0.048 nan 8.280 nan 0.000 0.493 222 L N 0.927 122.120 121.223 -0.051 0.000 2.010 222 L HA -0.213 4.126 4.340 -0.001 0.000 0.219 222 L C -0.923 175.744 176.870 -0.339 0.000 1.077 222 L CA 2.585 57.275 54.840 -0.251 0.000 0.773 222 L CB -1.800 40.171 42.059 -0.148 0.000 0.892 222 L HN 0.183 nan 8.230 nan 0.000 0.436 223 P HA -0.158 nan 4.420 nan 0.000 0.211 223 P C 2.019 179.179 177.300 -0.235 0.000 1.179 223 P CA 2.522 65.488 63.100 -0.223 0.000 0.910 223 P CB -0.384 31.184 31.700 -0.219 0.000 0.785 224 V N -1.667 118.111 119.914 -0.227 0.000 2.295 224 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 224 V C 2.267 178.201 176.094 -0.267 0.000 1.049 224 V CA 2.264 64.441 62.300 -0.205 0.000 1.024 224 V CB -2.184 29.559 31.823 -0.133 0.000 0.648 224 V HN 0.093 nan 8.190 nan 0.000 0.447 225 A N 0.733 123.264 122.820 -0.482 0.000 1.997 225 A HA -0.088 4.232 4.320 -0.001 0.000 0.221 225 A C 2.433 179.850 177.584 -0.278 0.000 1.172 225 A CA 2.819 54.511 52.037 -0.574 0.000 0.645 225 A CB -1.060 17.212 19.000 -1.214 0.000 0.813 225 A HN 1.160 nan 8.150 nan 0.000 0.454 226 A N -0.922 121.755 122.820 -0.238 0.000 2.021 226 A HA 0.407 4.726 4.320 -0.001 0.000 0.216 226 A C 2.364 179.888 177.584 -0.101 0.000 1.163 226 A CA 1.400 53.365 52.037 -0.120 0.000 0.676 226 A CB -0.654 18.243 19.000 -0.172 0.000 0.818 226 A HN 0.942 nan 8.150 nan 0.000 0.453 227 A N -0.094 122.656 122.820 -0.116 0.000 1.898 227 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 227 A C 2.192 179.745 177.584 -0.052 0.000 1.181 227 A CA 1.646 53.651 52.037 -0.054 0.000 0.620 227 A CB -0.528 18.433 19.000 -0.065 0.000 0.819 227 A HN 0.496 nan 8.150 nan 0.000 0.442 228 M N -1.877 117.659 119.600 -0.107 0.000 2.065 228 M HA -0.196 4.283 4.480 -0.001 0.000 0.259 228 M C 2.143 178.355 176.300 -0.147 0.000 1.071 228 M CA 1.854 57.064 55.300 -0.149 0.000 1.109 228 M CB -0.710 31.787 32.600 -0.173 0.000 1.313 228 M HN 0.488 nan 8.290 nan 0.000 0.408 229 Y N 0.211 120.489 120.300 -0.036 0.000 2.298 229 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 229 Y C 2.300 178.122 175.900 -0.130 0.000 1.164 229 Y CA 1.363 59.414 58.100 -0.081 0.000 1.229 229 Y CB -0.743 37.676 38.460 -0.068 0.000 0.977 229 Y HN 0.289 nan 8.280 nan 0.000 0.538 230 M N -0.874 118.662 119.600 -0.107 0.000 2.349 230 M HA -0.050 4.430 4.480 -0.001 0.000 0.266 230 M C 1.404 177.770 176.300 0.110 0.000 1.076 230 M CA 1.087 56.218 55.300 -0.283 0.000 1.126 230 M CB -0.165 32.233 32.600 -0.336 0.000 1.392 230 M HN 0.151 nan 8.290 nan 0.000 0.440 231 V N -2.965 116.989 119.914 0.067 0.000 3.331 231 V HA 0.546 4.665 4.120 -0.001 0.000 0.332 231 V C 1.064 177.173 176.094 0.025 0.000 1.341 231 V CA 0.350 62.669 62.300 0.032 0.000 1.218 231 V CB -0.960 30.810 31.823 -0.088 0.000 1.152 231 V HN 0.674 nan 8.190 nan 0.000 0.445 232 G N 1.339 110.183 108.800 0.073 0.000 2.320 232 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.242 232 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.242 232 G C 0.192 175.073 174.900 -0.032 0.000 1.033 232 G CA 0.150 45.282 45.100 0.054 0.000 0.620 232 G HN 0.658 nan 8.290 nan 0.000 0.517 233 I N 3.100 123.602 120.570 -0.113 0.000 2.725 233 I HA 0.172 4.341 4.170 -0.001 0.000 0.296 233 I C 0.688 176.561 176.117 -0.407 0.000 1.155 233 I CA 0.909 62.070 61.300 -0.232 0.000 1.450 233 I CB 0.120 37.959 38.000 -0.269 0.000 1.478 233 I HN 0.330 nan 8.210 nan 0.000 0.642 234 D N 2.784 123.032 120.400 -0.253 0.000 2.538 234 D HA -0.002 4.638 4.640 -0.001 0.000 0.231 234 D C 0.438 176.693 176.300 -0.075 0.000 1.229 234 D CA -0.375 53.523 54.000 -0.171 0.000 0.828 234 D CB 0.051 40.867 40.800 0.027 0.000 1.035 234 D HN 0.373 nan 8.370 nan 0.000 0.495 235 S N -0.060 115.524 115.700 -0.193 0.000 2.448 235 S HA 0.191 4.660 4.470 -0.001 0.000 0.279 235 S C 1.071 175.647 174.600 -0.040 0.000 1.195 235 S CA -0.727 57.426 58.200 -0.078 0.000 1.051 235 S CB 1.783 64.933 63.200 -0.083 0.000 0.948 235 S HN 0.039 nan 8.310 nan 0.000 0.493 236 K N 1.448 121.890 120.400 0.071 0.000 2.242 236 K HA -0.240 4.080 4.320 -0.001 0.000 0.206 236 K C 1.878 178.523 176.600 0.075 0.000 1.045 236 K CA 1.859 58.214 56.287 0.114 0.000 0.930 236 K CB -0.092 32.467 32.500 0.098 0.000 0.726 236 K HN 0.752 nan 8.250 nan 0.000 0.462 237 E N 1.024 121.242 120.200 0.030 0.000 2.051 237 E HA -0.135 4.214 4.350 -0.001 0.000 0.189 237 E C 1.664 178.272 176.600 0.013 0.000 0.979 237 E CA 1.293 57.706 56.400 0.022 0.000 0.803 237 E CB 0.079 29.786 29.700 0.012 0.000 0.761 237 E HN 0.117 nan 8.360 nan 0.000 0.451 238 E N -0.173 120.005 120.200 -0.036 0.000 2.150 238 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 238 E C 1.993 178.588 176.600 -0.009 0.000 0.985 238 E CA 0.823 57.189 56.400 -0.057 0.000 0.814 238 E CB -0.311 29.308 29.700 -0.135 0.000 0.752 238 E HN 0.428 nan 8.360 nan 0.000 0.466 239 H N 0.538 119.613 119.070 0.008 0.000 2.357 239 H HA -0.021 4.534 4.556 -0.000 0.000 0.301 239 H C 1.851 177.232 175.328 0.089 0.000 1.082 239 H CA 1.187 57.279 56.048 0.074 0.000 1.342 239 H CB 0.032 29.840 29.762 0.077 0.000 1.389 239 H HN 0.126 nan 8.280 nan 0.000 0.511 240 E N 0.368 120.656 120.200 0.146 0.000 2.338 240 E HA -0.088 4.261 4.350 -0.001 0.000 0.197 240 E C 1.436 178.003 176.600 -0.056 0.000 1.007 240 E CA 0.427 56.842 56.400 0.024 0.000 0.849 240 E CB 0.103 29.807 29.700 0.008 0.000 0.774 240 E HN 0.326 nan 8.360 nan 0.000 0.506 241 N N -0.802 117.881 118.700 -0.029 0.000 2.424 241 N HA 0.042 4.782 4.740 -0.001 0.000 0.178 241 N C 1.104 176.530 175.510 -0.142 0.000 1.060 241 N CA 0.859 53.827 53.050 -0.137 0.000 0.901 241 N CB 0.123 38.620 38.487 0.016 0.000 0.979 241 N HN 0.170 nan 8.380 nan 0.000 0.451 242 A N 1.106 123.951 122.820 0.041 0.000 1.898 242 A HA -0.011 4.309 4.320 -0.001 0.000 0.214 242 A C 1.972 179.628 177.584 0.120 0.000 1.183 242 A CA 0.976 53.102 52.037 0.148 0.000 0.622 242 A CB -0.149 19.055 19.000 0.340 0.000 0.824 242 A HN 0.132 nan 8.150 nan 0.000 0.444 243 K N 0.199 120.646 120.400 0.078 0.000 2.211 243 K HA 0.031 4.351 4.320 -0.001 0.000 0.203 243 K C 2.053 178.560 176.600 -0.155 0.000 1.050 243 K CA 0.887 57.142 56.287 -0.054 0.000 0.945 243 K CB -0.264 32.123 32.500 -0.188 0.000 0.732 243 K HN 0.426 nan 8.250 nan 0.000 0.451 244 A N 1.525 124.187 122.820 -0.263 0.000 1.972 244 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 244 A C 2.054 179.460 177.584 -0.297 0.000 1.169 244 A CA 1.483 53.287 52.037 -0.388 0.000 0.635 244 A CB -0.526 17.928 19.000 -0.910 0.000 0.810 244 A HN 0.507 nan 8.150 nan 0.000 0.446 245 I N -4.293 116.109 120.570 -0.279 0.000 4.244 245 I HA 0.184 4.354 4.170 -0.001 0.000 0.318 245 I C 1.647 177.662 176.117 -0.170 0.000 1.282 245 I CA 0.357 61.504 61.300 -0.256 0.000 1.276 245 I CB -0.075 37.688 38.000 -0.395 0.000 1.183 245 I HN 0.143 nan 8.210 nan 0.000 0.431 246 L N 1.311 122.488 121.223 -0.077 0.000 2.072 246 L HA -0.039 4.301 4.340 -0.001 0.000 0.205 246 L C 2.552 179.354 176.870 -0.114 0.000 1.079 246 L CA 1.121 55.964 54.840 0.006 0.000 0.752 246 L CB -0.495 41.684 42.059 0.200 0.000 0.906 246 L HN 0.273 nan 8.230 nan 0.000 0.436 247 L N -0.016 121.130 121.223 -0.129 0.000 2.450 247 L HA -0.191 4.149 4.340 -0.001 0.000 0.224 247 L C 2.406 179.147 176.870 -0.216 0.000 1.149 247 L CA 0.851 55.554 54.840 -0.228 0.000 0.816 247 L CB -0.351 41.528 42.059 -0.302 0.000 0.932 247 L HN 0.361 nan 8.230 nan 0.000 0.449 248 E N 0.615 120.705 120.200 -0.184 0.000 2.075 248 E HA -0.109 4.241 4.350 -0.001 0.000 0.190 248 E C 2.245 178.769 176.600 -0.126 0.000 0.969 248 E CA 0.774 57.094 56.400 -0.133 0.000 0.815 248 E CB -0.044 29.585 29.700 -0.118 0.000 0.776 248 E HN 0.273 nan 8.360 nan 0.000 0.457 249 M N -0.130 119.346 119.600 -0.207 0.000 2.358 249 M HA 0.019 4.498 4.480 -0.001 0.000 0.264 249 M C 2.016 177.975 176.300 -0.567 0.000 1.064 249 M CA 1.354 56.513 55.300 -0.235 0.000 1.093 249 M CB -0.116 32.297 32.600 -0.312 0.000 1.401 249 M HN 0.283 nan 8.290 nan 0.000 0.440 250 G N -0.130 108.230 108.800 -0.733 0.000 2.484 250 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.218 250 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.218 250 G C 1.311 176.129 174.900 -0.136 0.000 1.130 250 G CA 0.703 45.419 45.100 -0.639 0.000 0.784 250 G HN 0.485 nan 8.290 nan 0.000 0.543 251 E N -0.443 119.699 120.200 -0.097 0.000 2.030 251 E HA -0.091 4.259 4.350 -0.001 0.000 0.189 251 E C 2.021 178.668 176.600 0.079 0.000 0.974 251 E CA 0.311 56.709 56.400 -0.003 0.000 0.807 251 E CB -0.464 29.240 29.700 0.006 0.000 0.771 251 E HN 0.339 nan 8.360 nan 0.000 0.451 252 Y N 0.122 120.411 120.300 -0.018 0.000 2.241 252 Y HA -0.265 4.284 4.550 -0.000 0.000 0.286 252 Y C 1.797 177.673 175.900 -0.040 0.000 1.166 252 Y CA 1.948 60.030 58.100 -0.029 0.000 1.203 252 Y CB -0.356 38.003 38.460 -0.168 0.000 0.977 252 Y HN 0.272 nan 8.280 nan 0.000 0.529 253 F N 0.764 120.695 119.950 -0.031 0.000 2.113 253 F HA -0.141 4.385 4.527 -0.000 0.000 0.297 253 F C 2.418 178.192 175.800 -0.043 0.000 1.103 253 F CA 2.055 60.045 58.000 -0.016 0.000 1.248 253 F CB -0.622 38.459 39.000 0.135 0.000 0.999 253 F HN 0.116 nan 8.300 nan 0.000 0.475 254 Q N 0.684 120.590 119.800 0.177 0.000 2.079 254 Q HA -0.122 4.218 4.340 -0.001 0.000 0.200 254 Q C 1.957 177.924 176.000 -0.056 0.000 0.974 254 Q CA 2.036 57.886 55.803 0.080 0.000 0.840 254 Q CB -0.516 28.338 28.738 0.193 0.000 0.898 254 Q HN 0.516 nan 8.270 nan 0.000 0.430 255 I N 0.496 120.992 120.570 -0.122 0.000 2.151 255 I HA -0.329 3.841 4.170 -0.001 0.000 0.243 255 I C 2.463 178.415 176.117 -0.275 0.000 1.080 255 I CA 1.705 62.816 61.300 -0.314 0.000 1.339 255 I CB -0.542 37.039 38.000 -0.699 0.000 1.039 255 I HN 0.364 nan 8.210 nan 0.000 0.409 256 Q N 0.155 119.751 119.800 -0.341 0.000 2.030 256 Q HA -0.259 4.081 4.340 -0.001 0.000 0.204 256 Q C 1.085 176.917 176.000 -0.281 0.000 0.986 256 Q CA 1.934 57.560 55.803 -0.295 0.000 0.843 256 Q CB -0.070 28.383 28.738 -0.475 0.000 0.904 256 Q HN 0.383 nan 8.270 nan 0.000 0.420 257 D N 0.016 120.180 120.400 -0.394 0.000 2.368 257 D HA -0.047 4.593 4.640 -0.001 0.000 0.250 257 D C -0.118 176.071 176.300 -0.185 0.000 1.142 257 D CA 0.497 54.294 54.000 -0.338 0.000 0.925 257 D CB 0.108 40.597 40.800 -0.519 0.000 0.896 257 D HN 0.255 nan 8.370 nan 0.000 0.525 258 D N -2.111 118.196 120.400 -0.155 0.000 2.434 258 D HA -0.027 4.613 4.640 -0.001 0.000 0.288 258 D C 1.308 177.515 176.300 -0.155 0.000 1.083 258 D CA 0.011 53.950 54.000 -0.102 0.000 0.903 258 D CB 0.049 40.840 40.800 -0.015 0.000 1.476 258 D HN 0.171 nan 8.370 nan 0.000 0.502 259 Y N 1.780 121.887 120.300 -0.322 0.000 2.176 259 Y HA 0.073 4.623 4.550 -0.000 0.000 0.291 259 Y C 1.734 177.423 175.900 -0.352 0.000 1.122 259 Y CA 1.320 59.157 58.100 -0.438 0.000 1.128 259 Y CB -0.287 37.528 38.460 -1.075 0.000 1.005 259 Y HN -0.173 nan 8.280 nan 0.000 0.509 260 L N 0.795 121.851 121.223 -0.278 0.000 2.642 260 L HA -0.161 4.179 4.340 -0.001 0.000 0.236 260 L C 1.439 178.157 176.870 -0.253 0.000 1.169 260 L CA 0.941 55.641 54.840 -0.233 0.000 0.851 260 L CB -0.664 41.336 42.059 -0.098 0.000 0.968 260 L HN 0.346 nan 8.230 nan 0.000 0.453 261 D N 0.207 120.431 120.400 -0.293 0.000 2.092 261 D HA -0.157 4.483 4.640 -0.001 0.000 0.203 261 D C 2.191 178.318 176.300 -0.289 0.000 0.978 261 D CA 1.758 55.615 54.000 -0.239 0.000 0.861 261 D CB -0.046 40.635 40.800 -0.199 0.000 1.005 261 D HN 0.456 nan 8.370 nan 0.000 0.450 262 C N -0.284 118.751 119.300 -0.442 0.000 2.486 262 C HA 0.101 4.561 4.460 -0.001 0.000 0.279 262 C C 2.267 176.948 174.990 -0.515 0.000 1.302 262 C CA -0.205 58.508 59.018 -0.509 0.000 1.720 262 C CB -1.692 25.618 27.740 -0.715 0.000 2.030 262 C HN 0.127 nan 8.230 nan 0.000 0.490 263 F N 2.723 122.424 119.950 -0.417 0.000 2.695 263 F HA 0.456 4.983 4.527 -0.001 0.000 0.301 263 F C 1.283 176.879 175.800 -0.341 0.000 1.182 263 F CA 0.009 57.730 58.000 -0.465 0.000 1.412 263 F CB -0.867 37.639 39.000 -0.823 0.000 1.056 263 F HN 0.572 nan 8.300 nan 0.000 0.522 264 G N -0.693 108.042 108.800 -0.108 0.000 2.759 264 G HA2 0.415 4.374 3.960 -0.001 0.000 0.297 264 G HA3 0.415 4.374 3.960 -0.001 0.000 0.297 264 G C -0.915 173.961 174.900 -0.039 0.000 1.434 264 G CA -0.403 44.672 45.100 -0.040 0.000 0.980 264 G HN 0.089 nan 8.290 nan 0.000 0.531 265 D N 0.296 120.691 120.400 -0.007 0.000 2.464 265 D HA 0.182 4.822 4.640 -0.001 0.000 0.272 265 D C -1.908 174.395 176.300 0.006 0.000 1.224 265 D CA 0.068 54.063 54.000 -0.008 0.000 1.118 265 D CB 0.391 41.186 40.800 -0.008 0.000 1.710 265 D HN 0.309 nan 8.370 nan 0.000 0.479 266 P HA 0.230 nan 4.420 nan 0.000 0.191 266 P C -1.271 176.042 177.300 0.021 0.000 0.942 266 P CA 1.359 64.470 63.100 0.020 0.000 1.312 266 P CB -0.450 31.266 31.700 0.026 0.000 1.452 267 A N 1.249 124.079 122.820 0.017 0.000 2.432 267 A HA 0.094 4.413 4.320 -0.001 0.000 0.685 267 A C -1.007 176.587 177.584 0.017 0.000 0.141 267 A CA -0.237 51.811 52.037 0.018 0.000 0.039 267 A CB -1.587 17.427 19.000 0.023 0.000 3.967 267 A HN 0.470 nan 8.150 nan 0.000 0.547 268 L N 1.602 122.833 121.223 0.014 0.000 2.999 268 L HA 0.989 5.329 4.340 -0.001 0.000 0.274 268 L C -0.045 176.833 176.870 0.013 0.000 1.044 268 L CA 0.942 55.788 54.840 0.010 0.000 0.943 268 L CB 1.804 43.861 42.059 -0.004 0.000 1.522 268 L HN 1.883 nan 8.230 nan 0.000 0.400 269 T N -0.387 114.175 114.554 0.014 0.000 2.739 269 T HA 0.747 5.097 4.350 -0.001 0.000 0.303 269 T C -0.332 174.383 174.700 0.024 0.000 1.389 269 T CA 0.668 62.781 62.100 0.023 0.000 1.001 269 T CB 1.079 69.968 68.868 0.034 0.000 1.436 269 T HN 2.029 nan 8.240 nan 0.000 0.500 270 G N 2.276 111.097 108.800 0.034 0.000 2.578 270 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.232 270 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.232 270 G C -0.645 174.276 174.900 0.036 0.000 1.176 270 G CA 0.005 45.132 45.100 0.045 0.000 0.968 270 G HN 0.755 nan 8.290 nan 0.000 0.583 271 K N 1.105 121.525 120.400 0.033 0.000 3.225 271 K HA 0.332 4.652 4.320 -0.001 0.000 0.282 271 K C 0.814 177.418 176.600 0.007 0.000 1.060 271 K CA 0.163 56.467 56.287 0.027 0.000 1.186 271 K CB -0.196 32.323 32.500 0.032 0.000 1.214 271 K HN 0.764 nan 8.250 nan 0.000 0.428 272 V N 0.295 120.212 119.914 0.005 0.000 2.509 272 V HA 0.234 4.353 4.120 -0.001 0.000 0.297 272 V C 1.018 177.109 176.094 -0.006 0.000 1.014 272 V CA 1.714 64.010 62.300 -0.006 0.000 1.127 272 V CB 0.002 31.825 31.823 0.001 0.000 0.925 272 V HN 0.847 nan 8.190 nan 0.000 0.480 273 G N 4.582 113.371 108.800 -0.019 0.000 2.191 273 G HA2 0.204 4.163 3.960 -0.001 0.000 0.090 273 G HA3 0.204 4.163 3.960 -0.001 0.000 0.090 273 G C 0.081 174.961 174.900 -0.033 0.000 1.980 273 G CA 0.421 45.510 45.100 -0.018 0.000 1.116 273 G HN 1.385 nan 8.290 nan 0.000 0.313 274 T N -0.235 114.302 114.554 -0.028 0.000 3.109 274 T HA 0.419 4.769 4.350 -0.001 0.000 0.352 274 T C -2.682 172.012 174.700 -0.011 0.000 1.779 274 T CA 0.153 62.231 62.100 -0.037 0.000 1.022 274 T CB 1.317 70.152 68.868 -0.056 0.000 1.911 274 T HN 1.073 nan 8.240 nan 0.000 0.528 275 D N 1.416 121.817 120.400 0.001 0.000 2.351 275 D HA 0.347 4.987 4.640 -0.001 0.000 0.235 275 D C -0.006 176.330 176.300 0.060 0.000 1.331 275 D CA -0.434 53.581 54.000 0.026 0.000 0.959 275 D CB 0.445 41.265 40.800 0.033 0.000 1.432 275 D HN 0.555 nan 8.370 nan 0.000 0.544 276 I N 2.564 123.172 120.570 0.062 0.000 4.288 276 I HA 0.069 4.239 4.170 -0.001 0.000 0.331 276 I C 1.666 177.790 176.117 0.011 0.000 1.322 276 I CA 0.161 61.530 61.300 0.115 0.000 1.149 276 I CB 0.406 38.498 38.000 0.152 0.000 1.112 276 I HN 0.280 nan 8.210 nan 0.000 0.403 277 Q N 1.674 121.474 119.800 -0.001 0.000 2.181 277 Q HA -0.150 4.190 4.340 -0.001 0.000 0.205 277 Q C -0.208 175.770 176.000 -0.038 0.000 0.980 277 Q CA 1.600 57.387 55.803 -0.028 0.000 0.862 277 Q CB -0.239 28.493 28.738 -0.009 0.000 0.905 277 Q HN 0.399 nan 8.270 nan 0.000 0.429 278 D N 0.718 121.116 120.400 -0.003 0.000 2.210 278 D HA 0.129 4.769 4.640 -0.001 0.000 0.249 278 D C -0.932 175.374 176.300 0.011 0.000 1.078 278 D CA -0.366 53.641 54.000 0.011 0.000 0.875 278 D CB 0.848 41.676 40.800 0.046 0.000 1.175 278 D HN 0.176 nan 8.370 nan 0.000 0.440 279 N N 1.892 120.592 118.700 -0.000 0.000 2.605 279 N HA -0.054 4.686 4.740 -0.001 0.000 0.282 279 N C -0.684 174.998 175.510 0.287 0.000 1.206 279 N CA -0.017 53.057 53.050 0.041 0.000 1.074 279 N CB -0.088 38.427 38.487 0.048 0.000 1.434 279 N HN 0.203 nan 8.380 nan 0.000 0.506 280 K N 2.736 123.336 120.400 0.332 0.000 2.284 280 K HA 0.140 4.460 4.320 -0.001 0.000 0.287 280 K C -0.390 176.348 176.600 0.230 0.000 1.081 280 K CA -0.588 55.844 56.287 0.242 0.000 0.910 280 K CB 0.268 32.874 32.500 0.176 0.000 1.088 280 K HN 0.438 nan 8.250 nan 0.000 0.478 281 C N 5.355 124.587 119.300 -0.115 0.000 2.894 281 C HA 0.162 4.622 4.460 -0.001 0.000 0.430 281 C C 0.040 174.940 174.990 -0.150 0.000 1.048 281 C CA -0.256 58.447 59.018 -0.524 0.000 1.158 281 C CB -2.359 24.826 27.740 -0.924 0.000 1.634 281 C HN 0.735 nan 8.230 nan 0.000 0.565 282 S N 3.493 119.136 115.700 -0.095 0.000 2.707 282 S HA 0.233 4.703 4.470 -0.001 0.000 0.276 282 S C 0.851 175.175 174.600 -0.460 0.000 1.179 282 S CA -0.536 57.570 58.200 -0.158 0.000 0.992 282 S CB 0.629 63.782 63.200 -0.079 0.000 1.030 282 S HN 0.918 nan 8.310 nan 0.000 0.554 283 W N 1.496 122.342 121.300 -0.758 0.000 2.315 283 W HA -0.211 4.448 4.660 -0.000 0.000 0.323 283 W C 1.273 177.486 176.519 -0.511 0.000 1.233 283 W CA 1.576 58.419 57.345 -0.836 0.000 1.267 283 W CB -0.706 28.466 29.460 -0.479 0.000 1.160 283 W HN 0.625 nan 8.180 nan 0.000 0.474 284 L N 0.647 121.610 121.223 -0.433 0.000 1.991 284 L HA -0.349 3.990 4.340 -0.001 0.000 0.221 284 L C 2.537 178.999 176.870 -0.680 0.000 1.079 284 L CA 2.162 56.618 54.840 -0.640 0.000 0.778 284 L CB -1.739 39.866 42.059 -0.756 0.000 0.893 284 L HN -0.116 nan 8.230 nan 0.000 0.437 285 V N -0.349 119.248 119.914 -0.529 0.000 2.231 285 V HA -0.316 3.804 4.120 -0.001 0.000 0.250 285 V C 2.467 178.411 176.094 -0.249 0.000 1.058 285 V CA 2.128 64.242 62.300 -0.311 0.000 1.022 285 V CB -0.621 31.069 31.823 -0.223 0.000 0.640 285 V HN 0.259 nan 8.190 nan 0.000 0.445 286 V N -0.563 119.163 119.914 -0.313 0.000 2.392 286 V HA -0.276 3.844 4.120 -0.001 0.000 0.249 286 V C 2.545 178.405 176.094 -0.390 0.000 1.059 286 V CA 1.886 64.014 62.300 -0.286 0.000 1.051 286 V CB -0.742 30.860 31.823 -0.369 0.000 0.658 286 V HN 0.544 nan 8.190 nan 0.000 0.455 287 Q N -1.305 118.121 119.800 -0.624 0.000 2.172 287 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 287 Q C 2.348 178.180 176.000 -0.280 0.000 0.964 287 Q CA 1.707 57.164 55.803 -0.577 0.000 0.855 287 Q CB -0.949 27.286 28.738 -0.838 0.000 0.918 287 Q HN 0.735 nan 8.270 nan 0.000 0.444 288 C N 0.233 119.413 119.300 -0.200 0.000 2.508 288 C HA -0.006 4.454 4.460 -0.001 0.000 0.280 288 C C 2.705 177.669 174.990 -0.043 0.000 1.262 288 C CA 0.231 59.234 59.018 -0.025 0.000 1.706 288 C CB -1.030 26.818 27.740 0.180 0.000 2.078 288 C HN 0.468 nan 8.230 nan 0.000 0.480 289 L N 0.847 122.031 121.223 -0.065 0.000 2.129 289 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 289 L C 2.702 179.540 176.870 -0.053 0.000 1.087 289 L CA 1.728 56.536 54.840 -0.053 0.000 0.757 289 L CB -0.806 41.223 42.059 -0.051 0.000 0.896 289 L HN 0.466 nan 8.230 nan 0.000 0.434 290 Q N 1.317 121.066 119.800 -0.084 0.000 2.030 290 Q HA -0.173 4.167 4.340 -0.001 0.000 0.204 290 Q C 1.072 177.044 176.000 -0.045 0.000 0.986 290 Q CA 1.537 57.295 55.803 -0.075 0.000 0.843 290 Q CB 0.059 28.721 28.738 -0.127 0.000 0.904 290 Q HN 0.495 nan 8.270 nan 0.000 0.420 291 R N -0.650 119.824 120.500 -0.044 0.000 2.860 291 R HA 0.543 4.882 4.340 -0.001 0.000 0.282 291 R C -1.271 175.022 176.300 -0.012 0.000 1.408 291 R CA -0.336 55.751 56.100 -0.021 0.000 1.636 291 R CB 0.539 30.829 30.300 -0.016 0.000 1.187 291 R HN 0.015 nan 8.270 nan 0.000 0.611 292 V N 1.003 120.909 119.914 -0.014 0.000 3.130 292 V HA 0.499 4.619 4.120 -0.001 0.000 0.310 292 V C -0.231 175.856 176.094 -0.011 0.000 1.158 292 V CA -0.577 61.717 62.300 -0.011 0.000 1.029 292 V CB 2.892 34.706 31.823 -0.016 0.000 1.057 292 V HN 0.766 nan 8.190 nan 0.000 0.436 293 T N 1.129 115.676 114.554 -0.012 0.000 2.929 293 T HA 0.464 4.813 4.350 -0.001 0.000 0.284 293 T C -2.093 172.598 174.700 -0.015 0.000 1.014 293 T CA -1.860 60.233 62.100 -0.011 0.000 1.051 293 T CB 1.584 70.446 68.868 -0.010 0.000 1.028 293 T HN 0.426 nan 8.240 nan 0.000 0.485 294 P HA -0.252 nan 4.420 nan 0.000 0.218 294 P C 1.756 179.044 177.300 -0.020 0.000 1.154 294 P CA 1.441 64.531 63.100 -0.017 0.000 0.872 294 P CB 0.095 31.787 31.700 -0.013 0.000 0.790 295 E N 0.274 120.463 120.200 -0.018 0.000 2.028 295 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 295 E C 1.925 178.509 176.600 -0.026 0.000 0.988 295 E CA 1.389 57.777 56.400 -0.021 0.000 0.799 295 E CB -1.231 28.459 29.700 -0.018 0.000 0.755 295 E HN 0.360 nan 8.360 nan 0.000 0.447 296 Q N 0.118 119.902 119.800 -0.026 0.000 2.124 296 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 296 Q C 2.441 178.418 176.000 -0.038 0.000 0.977 296 Q CA 1.091 56.874 55.803 -0.034 0.000 0.850 296 Q CB -0.147 28.574 28.738 -0.028 0.000 0.901 296 Q HN 0.087 nan 8.270 nan 0.000 0.429 297 R N 0.812 121.292 120.500 -0.033 0.000 2.083 297 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 297 R C 2.105 178.383 176.300 -0.038 0.000 1.137 297 R CA 1.486 57.565 56.100 -0.036 0.000 0.951 297 R CB -0.317 29.965 30.300 -0.031 0.000 0.851 297 R HN 0.340 nan 8.270 nan 0.000 0.434 298 Q N 0.385 120.164 119.800 -0.034 0.000 2.119 298 Q HA -0.132 4.208 4.340 -0.001 0.000 0.201 298 Q C 2.083 178.062 176.000 -0.035 0.000 0.972 298 Q CA 1.064 56.847 55.803 -0.034 0.000 0.847 298 Q CB -0.264 28.456 28.738 -0.030 0.000 0.903 298 Q HN 0.210 nan 8.270 nan 0.000 0.433 299 L N 0.567 121.768 121.223 -0.037 0.000 2.012 299 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 299 L C 2.173 179.018 176.870 -0.041 0.000 1.073 299 L CA 1.628 56.444 54.840 -0.041 0.000 0.748 299 L CB -1.009 41.021 42.059 -0.048 0.000 0.891 299 L HN 0.215 nan 8.230 nan 0.000 0.431 300 L N -0.032 121.165 121.223 -0.044 0.000 2.042 300 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 300 L C 2.350 179.244 176.870 0.039 0.000 1.076 300 L CA 1.863 56.688 54.840 -0.026 0.000 0.749 300 L CB -0.488 41.540 42.059 -0.052 0.000 0.893 300 L HN 0.562 nan 8.230 nan 0.000 0.432 301 E N -1.724 118.474 120.200 -0.004 0.000 2.463 301 E HA -0.093 4.256 4.350 -0.001 0.000 0.191 301 E C 0.238 176.817 176.600 -0.035 0.000 1.083 301 E CA 0.413 56.803 56.400 -0.017 0.000 0.872 301 E CB 0.186 29.853 29.700 -0.054 0.000 0.966 301 E HN 0.450 nan 8.360 nan 0.000 0.491 302 D N 0.061 120.444 120.400 -0.027 0.000 2.461 302 D HA 0.050 4.690 4.640 -0.001 0.000 0.266 302 D C 0.944 177.220 176.300 -0.040 0.000 1.085 302 D CA 0.127 54.104 54.000 -0.039 0.000 0.887 302 D CB 0.373 41.151 40.800 -0.037 0.000 1.309 302 D HN 0.030 nan 8.370 nan 0.000 0.498 303 N N -0.782 117.902 118.700 -0.027 0.000 2.348 303 N HA 0.037 4.777 4.740 -0.001 0.000 0.183 303 N C -0.427 175.077 175.510 -0.009 0.000 1.094 303 N CA -0.059 52.972 53.050 -0.030 0.000 0.885 303 N CB 0.371 38.833 38.487 -0.042 0.000 1.065 303 N HN 0.130 nan 8.380 nan 0.000 0.472 304 Y N 0.834 121.080 120.300 -0.090 0.000 2.477 304 Y HA 0.539 5.088 4.550 -0.000 0.000 0.349 304 Y C 0.793 176.670 175.900 -0.039 0.000 0.977 304 Y CA -0.249 57.812 58.100 -0.066 0.000 1.214 304 Y CB 0.124 38.546 38.460 -0.063 0.000 1.124 304 Y HN 0.163 nan 8.280 nan 0.000 0.521 305 G N 4.336 112.817 108.800 -0.532 0.000 2.731 305 G HA2 0.018 3.978 3.960 -0.001 0.000 0.219 305 G HA3 0.018 3.978 3.960 -0.001 0.000 0.219 305 G C -0.825 173.939 174.900 -0.226 0.000 0.989 305 G CA -0.616 44.186 45.100 -0.498 0.000 0.871 305 G HN 0.681 nan 8.290 nan 0.000 0.591 306 R N 0.275 120.687 120.500 -0.146 0.000 2.629 306 R HA 0.505 4.845 4.340 -0.001 0.000 0.266 306 R C -0.966 175.302 176.300 -0.054 0.000 1.051 306 R CA -0.992 55.056 56.100 -0.086 0.000 0.895 306 R CB 0.787 31.042 30.300 -0.074 0.000 1.246 306 R HN 0.013 nan 8.270 nan 0.000 0.459 307 K N 2.589 122.966 120.400 -0.039 0.000 2.110 307 K HA 0.162 4.482 4.320 -0.001 0.000 0.260 307 K C -1.041 175.544 176.600 -0.025 0.000 1.126 307 K CA 0.507 56.778 56.287 -0.026 0.000 1.005 307 K CB 0.100 32.589 32.500 -0.017 0.000 1.336 307 K HN 0.519 nan 8.250 nan 0.000 0.369 308 E N 3.161 123.345 120.200 -0.026 0.000 2.367 308 E HA 0.088 4.438 4.350 -0.001 0.000 0.292 308 E C -2.245 174.341 176.600 -0.023 0.000 0.900 308 E CA -1.745 54.640 56.400 -0.024 0.000 0.807 308 E CB 1.790 31.473 29.700 -0.028 0.000 1.337 308 E HN 0.180 nan 8.360 nan 0.000 0.394 309 P HA -0.276 nan 4.420 nan 0.000 0.218 309 P C 0.806 178.093 177.300 -0.022 0.000 1.152 309 P CA 1.352 64.440 63.100 -0.019 0.000 0.857 309 P CB 0.415 32.105 31.700 -0.016 0.000 0.787 310 E N -0.056 120.130 120.200 -0.023 0.000 1.984 310 E HA -0.163 4.186 4.350 -0.001 0.000 0.203 310 E C 1.857 178.439 176.600 -0.030 0.000 0.998 310 E CA 1.361 57.746 56.400 -0.025 0.000 0.865 310 E CB -0.888 28.798 29.700 -0.024 0.000 0.806 310 E HN 0.163 nan 8.360 nan 0.000 0.504 311 K N 0.129 120.510 120.400 -0.033 0.000 2.127 311 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 311 K C 2.148 178.724 176.600 -0.040 0.000 1.047 311 K CA 1.450 57.714 56.287 -0.038 0.000 0.927 311 K CB -0.506 31.970 32.500 -0.040 0.000 0.716 311 K HN -0.028 nan 8.250 nan 0.000 0.450 312 V N 1.506 121.401 119.914 -0.033 0.000 2.220 312 V HA -0.303 3.817 4.120 -0.001 0.000 0.246 312 V C 2.363 178.430 176.094 -0.045 0.000 1.049 312 V CA 2.226 64.510 62.300 -0.027 0.000 1.003 312 V CB -0.788 31.023 31.823 -0.021 0.000 0.634 312 V HN 0.446 nan 8.190 nan 0.000 0.444 313 A N -0.641 122.155 122.820 -0.041 0.000 2.125 313 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 313 A C 2.113 179.665 177.584 -0.055 0.000 1.156 313 A CA 2.002 54.013 52.037 -0.042 0.000 0.671 313 A CB -0.444 18.540 19.000 -0.027 0.000 0.794 313 A HN 0.456 nan 8.150 nan 0.000 0.459 314 K N -0.396 119.966 120.400 -0.065 0.000 2.305 314 K HA 0.089 4.409 4.320 -0.001 0.000 0.199 314 K C 1.438 177.956 176.600 -0.137 0.000 1.047 314 K CA 1.221 57.462 56.287 -0.076 0.000 0.976 314 K CB -0.303 32.160 32.500 -0.061 0.000 0.765 314 K HN 0.219 nan 8.250 nan 0.000 0.474 315 V N 1.076 120.883 119.914 -0.178 0.000 2.488 315 V HA -0.116 4.004 4.120 -0.001 0.000 0.246 315 V C 1.768 177.519 176.094 -0.570 0.000 1.046 315 V CA 1.303 63.378 62.300 -0.374 0.000 1.053 315 V CB -0.346 31.322 31.823 -0.259 0.000 0.679 315 V HN 0.160 nan 8.190 nan 0.000 0.458 316 K N 0.449 120.694 120.400 -0.258 0.000 2.217 316 K HA -0.103 4.216 4.320 -0.001 0.000 0.202 316 K C 1.957 178.574 176.600 0.029 0.000 1.051 316 K CA 0.973 57.208 56.287 -0.087 0.000 0.952 316 K CB -0.268 32.196 32.500 -0.060 0.000 0.736 316 K HN 0.609 nan 8.250 nan 0.000 0.453 317 E N 0.828 121.008 120.200 -0.033 0.000 2.072 317 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 317 E C 1.870 178.473 176.600 0.006 0.000 0.985 317 E CA 0.535 56.941 56.400 0.010 0.000 0.801 317 E CB 0.051 29.740 29.700 -0.017 0.000 0.750 317 E HN 0.090 nan 8.360 nan 0.000 0.452 318 L N 0.478 121.651 121.223 -0.083 0.000 2.027 318 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 318 L C 2.003 178.885 176.870 0.020 0.000 1.074 318 L CA 1.721 56.512 54.840 -0.082 0.000 0.745 318 L CB -0.979 40.967 42.059 -0.188 0.000 0.898 318 L HN 0.159 nan 8.230 nan 0.000 0.433 319 Y N 0.617 120.953 120.300 0.059 0.000 2.128 319 Y HA -0.245 4.305 4.550 -0.000 0.000 0.284 319 Y C 2.806 178.794 175.900 0.146 0.000 1.154 319 Y CA 1.772 59.937 58.100 0.108 0.000 1.149 319 Y CB -0.884 37.682 38.460 0.176 0.000 0.976 319 Y HN 0.403 nan 8.280 nan 0.000 0.505 320 E N -0.669 119.739 120.200 0.345 0.000 2.152 320 E HA -0.099 4.250 4.350 -0.001 0.000 0.192 320 E C 2.325 178.974 176.600 0.081 0.000 0.983 320 E CA 0.738 57.236 56.400 0.164 0.000 0.818 320 E CB -0.131 29.672 29.700 0.172 0.000 0.758 320 E HN 0.397 nan 8.360 nan 0.000 0.467 321 A N 0.164 123.031 122.820 0.078 0.000 1.930 321 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 321 A C 2.300 179.908 177.584 0.040 0.000 1.175 321 A CA 1.071 53.133 52.037 0.041 0.000 0.627 321 A CB -0.319 18.694 19.000 0.022 0.000 0.815 321 A HN 0.157 nan 8.150 nan 0.000 0.443 322 V N -1.231 118.720 119.914 0.062 0.000 2.283 322 V HA 0.248 4.368 4.120 -0.001 0.000 0.243 322 V C 1.716 177.838 176.094 0.048 0.000 1.039 322 V CA 1.569 63.901 62.300 0.054 0.000 1.016 322 V CB -0.966 30.901 31.823 0.074 0.000 0.650 322 V HN 1.146 nan 8.190 nan 0.000 0.449 323 G N -1.194 107.642 108.800 0.060 0.000 2.244 323 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.163 323 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.163 323 G C 0.170 175.104 174.900 0.056 0.000 1.064 323 G CA 0.125 45.249 45.100 0.041 0.000 0.757 323 G HN 0.083 nan 8.290 nan 0.000 0.484 324 M N 0.203 119.850 119.600 0.079 0.000 2.319 324 M HA 0.228 4.707 4.480 -0.001 0.000 0.265 324 M C 2.459 178.851 176.300 0.154 0.000 1.068 324 M CA 1.078 56.457 55.300 0.130 0.000 1.118 324 M CB -0.491 32.225 32.600 0.195 0.000 1.395 324 M HN 0.390 nan 8.290 nan 0.000 0.435 325 R N -0.963 119.544 120.500 0.012 0.000 2.152 325 R HA -0.057 4.283 4.340 -0.001 0.000 0.232 325 R C 1.994 178.344 176.300 0.084 0.000 1.117 325 R CA 1.270 57.389 56.100 0.031 0.000 0.981 325 R CB -0.443 29.790 30.300 -0.112 0.000 0.870 325 R HN 0.399 nan 8.270 nan 0.000 0.451 326 A N 1.025 123.887 122.820 0.069 0.000 1.861 326 A HA 0.102 4.422 4.320 -0.001 0.000 0.212 326 A C 2.357 180.001 177.584 0.101 0.000 1.199 326 A CA 0.931 53.007 52.037 0.065 0.000 0.613 326 A CB -0.554 18.474 19.000 0.046 0.000 0.846 326 A HN 0.296 nan 8.150 nan 0.000 0.446 327 A N -0.901 121.999 122.820 0.134 0.000 1.958 327 A HA -0.175 4.145 4.320 -0.001 0.000 0.221 327 A C 2.031 179.775 177.584 0.268 0.000 1.178 327 A CA 1.972 54.123 52.037 0.190 0.000 0.642 327 A CB -0.757 18.352 19.000 0.182 0.000 0.816 327 A HN 0.711 nan 8.150 nan 0.000 0.453 328 F N 0.085 120.069 119.950 0.055 0.000 2.098 328 F HA -0.107 4.419 4.527 -0.000 0.000 0.294 328 F C 2.470 178.236 175.800 -0.056 0.000 1.107 328 F CA 1.997 59.941 58.000 -0.094 0.000 1.234 328 F CB -0.476 38.215 39.000 -0.516 0.000 1.002 328 F HN 0.258 nan 8.300 nan 0.000 0.472 329 Q N 0.855 120.576 119.800 -0.131 0.000 1.985 329 Q HA -0.292 4.048 4.340 -0.001 0.000 0.207 329 Q C 2.223 178.146 176.000 -0.129 0.000 0.996 329 Q CA 2.426 58.114 55.803 -0.191 0.000 0.851 329 Q CB -0.811 27.899 28.738 -0.047 0.000 0.921 329 Q HN 0.543 nan 8.270 nan 0.000 0.418 330 Q N -0.972 118.815 119.800 -0.021 0.000 2.248 330 Q HA -0.193 4.147 4.340 -0.001 0.000 0.208 330 Q C 1.723 177.737 176.000 0.023 0.000 0.984 330 Q CA 1.842 57.650 55.803 0.009 0.000 0.875 330 Q CB -0.329 28.438 28.738 0.047 0.000 0.910 330 Q HN 0.517 nan 8.270 nan 0.000 0.433 331 Y N 1.159 121.392 120.300 -0.111 0.000 2.153 331 Y HA -0.155 4.394 4.550 -0.000 0.000 0.289 331 Y C 1.926 177.725 175.900 -0.168 0.000 1.119 331 Y CA 1.738 59.771 58.100 -0.111 0.000 1.116 331 Y CB -0.146 38.250 38.460 -0.106 0.000 1.004 331 Y HN 0.154 nan 8.280 nan 0.000 0.501 332 E N 0.453 120.516 120.200 -0.229 0.000 2.338 332 E HA -0.200 4.150 4.350 -0.001 0.000 0.197 332 E C 1.793 178.317 176.600 -0.127 0.000 1.007 332 E CA 1.419 57.672 56.400 -0.246 0.000 0.849 332 E CB -0.578 28.843 29.700 -0.465 0.000 0.774 332 E HN 0.749 nan 8.360 nan 0.000 0.506 333 E N 1.115 121.231 120.200 -0.141 0.000 2.285 333 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 333 E C 1.276 177.841 176.600 -0.059 0.000 0.997 333 E CA 1.290 57.651 56.400 -0.066 0.000 0.845 333 E CB 0.102 29.767 29.700 -0.059 0.000 0.782 333 E HN 0.413 nan 8.360 nan 0.000 0.491 334 S N -0.710 114.918 115.700 -0.120 0.000 2.497 334 S HA 0.042 4.512 4.470 -0.001 0.000 0.221 334 S C 2.058 176.553 174.600 -0.175 0.000 1.037 334 S CA 0.474 58.598 58.200 -0.127 0.000 0.920 334 S CB 0.274 63.404 63.200 -0.115 0.000 0.800 334 S HN 0.129 nan 8.310 nan 0.000 0.505 335 S N 1.176 116.718 115.700 -0.263 0.000 2.354 335 S HA -0.170 4.300 4.470 -0.001 0.000 0.219 335 S C 1.582 176.147 174.600 -0.058 0.000 1.035 335 S CA 1.413 59.480 58.200 -0.222 0.000 1.037 335 S CB -0.874 62.171 63.200 -0.258 0.000 0.956 335 S HN 0.642 nan 8.310 nan 0.000 0.428 336 Y N 2.037 122.291 120.300 -0.076 0.000 2.716 336 Y HA 0.065 4.615 4.550 -0.000 0.000 0.302 336 Y C 2.214 177.941 175.900 -0.288 0.000 1.160 336 Y CA 1.232 59.131 58.100 -0.334 0.000 1.362 336 Y CB -0.178 38.159 38.460 -0.204 0.000 0.988 336 Y HN 0.213 nan 8.280 nan 0.000 0.546 337 R N -0.376 119.986 120.500 -0.229 0.000 2.062 337 R HA 0.025 4.364 4.340 -0.001 0.000 0.218 337 R C 2.570 178.710 176.300 -0.267 0.000 1.161 337 R CA 0.614 56.561 56.100 -0.254 0.000 0.994 337 R CB -0.299 29.918 30.300 -0.138 0.000 0.888 337 R HN 0.169 nan 8.270 nan 0.000 0.442 338 R N 0.737 121.113 120.500 -0.206 0.000 2.119 338 R HA -0.203 4.136 4.340 -0.001 0.000 0.246 338 R C 2.134 178.304 176.300 -0.217 0.000 1.146 338 R CA 1.801 57.794 56.100 -0.178 0.000 0.962 338 R CB -0.452 29.762 30.300 -0.144 0.000 0.863 338 R HN 0.239 nan 8.270 nan 0.000 0.442 339 L N 1.340 122.391 121.223 -0.287 0.000 2.012 339 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 339 L C 2.342 178.996 176.870 -0.360 0.000 1.073 339 L CA 1.809 56.446 54.840 -0.338 0.000 0.748 339 L CB -0.401 41.363 42.059 -0.492 0.000 0.891 339 L HN 0.224 nan 8.230 nan 0.000 0.431 340 Q N -0.320 119.213 119.800 -0.445 0.000 2.124 340 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 340 Q C 2.149 177.995 176.000 -0.257 0.000 0.977 340 Q CA 1.832 57.405 55.803 -0.384 0.000 0.850 340 Q CB -0.321 28.160 28.738 -0.428 0.000 0.901 340 Q HN 0.624 nan 8.270 nan 0.000 0.429 341 E N -0.096 119.968 120.200 -0.227 0.000 2.358 341 E HA -0.050 4.300 4.350 -0.001 0.000 0.195 341 E C 1.413 177.915 176.600 -0.163 0.000 1.010 341 E CA 0.081 56.375 56.400 -0.176 0.000 0.856 341 E CB 0.118 29.729 29.700 -0.149 0.000 0.795 341 E HN 0.037 nan 8.360 nan 0.000 0.504 342 L N 0.103 121.232 121.223 -0.157 0.000 2.446 342 L HA 0.145 4.484 4.340 -0.001 0.000 0.219 342 L C 1.417 178.227 176.870 -0.099 0.000 1.116 342 L CA 0.959 55.754 54.840 -0.075 0.000 0.844 342 L CB 0.111 42.124 42.059 -0.078 0.000 0.970 342 L HN 0.163 nan 8.230 nan 0.000 0.457 343 I N -1.388 119.071 120.570 -0.186 0.000 2.368 343 I HA -0.102 4.068 4.170 -0.001 0.000 0.238 343 I C 2.055 178.086 176.117 -0.144 0.000 1.076 343 I CA 0.383 61.562 61.300 -0.202 0.000 1.397 343 I CB -0.192 37.699 38.000 -0.183 0.000 1.141 343 I HN 0.084 nan 8.210 nan 0.000 0.430 344 E N 1.210 121.324 120.200 -0.143 0.000 2.396 344 E HA -0.244 4.106 4.350 -0.001 0.000 0.200 344 E C 1.713 178.223 176.600 -0.150 0.000 1.023 344 E CA 1.048 57.374 56.400 -0.124 0.000 0.857 344 E CB 0.015 29.641 29.700 -0.124 0.000 0.775 344 E HN 0.355 nan 8.360 nan 0.000 0.525 345 K N -1.005 119.268 120.400 -0.211 0.000 2.380 345 K HA 0.004 4.324 4.320 -0.001 0.000 0.198 345 K C 0.851 177.165 176.600 -0.477 0.000 1.070 345 K CA 0.070 56.156 56.287 -0.335 0.000 1.040 345 K CB 0.539 32.792 32.500 -0.412 0.000 0.903 345 K HN 0.076 nan 8.250 nan 0.000 0.549 346 H N -0.868 118.120 119.070 -0.137 0.000 3.360 346 H HA 0.235 4.790 4.556 -0.000 0.000 0.262 346 H C -0.231 175.023 175.328 -0.123 0.000 1.149 346 H CA 0.029 55.993 56.048 -0.141 0.000 1.181 346 H CB 1.253 30.900 29.762 -0.191 0.000 1.564 346 H HN -0.035 nan 8.280 nan 0.000 0.565 347 S N 2.558 118.253 115.700 -0.009 0.000 2.979 347 S HA 0.021 4.491 4.470 -0.001 0.000 0.210 347 S C 1.212 175.835 174.600 0.038 0.000 1.364 347 S CA -0.561 57.677 58.200 0.064 0.000 1.208 347 S CB -0.049 63.231 63.200 0.133 0.000 1.167 347 S HN 0.456 nan 8.310 nan 0.000 0.519 348 N N 2.994 121.704 118.700 0.017 0.000 2.197 348 N HA -0.084 4.655 4.740 -0.001 0.000 0.184 348 N C 1.534 177.045 175.510 0.002 0.000 1.030 348 N CA 0.670 53.718 53.050 -0.003 0.000 0.851 348 N CB -0.278 38.198 38.487 -0.018 0.000 1.003 348 N HN 0.470 nan 8.380 nan 0.000 0.430 349 R N -0.214 120.290 120.500 0.008 0.000 2.064 349 R HA 0.191 4.531 4.340 -0.001 0.000 0.221 349 R C 0.229 176.530 176.300 0.001 0.000 1.136 349 R CA 0.070 56.166 56.100 -0.006 0.000 0.980 349 R CB -0.041 30.247 30.300 -0.020 0.000 0.876 349 R HN 0.060 nan 8.270 nan 0.000 0.437 350 L N 4.362 125.606 121.223 0.036 0.000 2.455 350 L HA 0.177 4.516 4.340 -0.001 0.000 0.272 350 L C -1.969 174.938 176.870 0.062 0.000 1.174 350 L CA -1.305 53.567 54.840 0.053 0.000 0.869 350 L CB 0.797 42.952 42.059 0.160 0.000 1.130 350 L HN 0.231 nan 8.230 nan 0.000 0.474 351 P HA 0.031 nan 4.420 nan 0.000 0.259 351 P C 0.300 177.572 177.300 -0.047 0.000 1.211 351 P CA -0.050 63.020 63.100 -0.050 0.000 0.810 351 P CB 0.251 31.888 31.700 -0.105 0.000 0.815 352 K N 2.722 123.163 120.400 0.068 0.000 2.173 352 K HA -0.216 4.103 4.320 -0.001 0.000 0.207 352 K C 1.594 178.228 176.600 0.057 0.000 1.046 352 K CA 1.616 58.010 56.287 0.178 0.000 0.929 352 K CB -0.123 32.440 32.500 0.105 0.000 0.720 352 K HN 0.513 nan 8.250 nan 0.000 0.453 353 E N 0.783 120.957 120.200 -0.043 0.000 2.219 353 E HA -0.194 4.156 4.350 -0.001 0.000 0.198 353 E C 1.937 178.447 176.600 -0.149 0.000 0.998 353 E CA 0.934 57.290 56.400 -0.073 0.000 0.818 353 E CB -0.241 29.416 29.700 -0.072 0.000 0.741 353 E HN 0.375 nan 8.360 nan 0.000 0.477 354 I N 0.207 120.583 120.570 -0.324 0.000 2.208 354 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 354 I C 1.845 177.684 176.117 -0.464 0.000 1.097 354 I CA 1.293 62.291 61.300 -0.503 0.000 1.363 354 I CB -0.284 37.205 38.000 -0.853 0.000 1.051 354 I HN 0.069 nan 8.210 nan 0.000 0.413 355 F N -0.175 119.755 119.950 -0.033 0.000 2.234 355 F HA -0.077 4.450 4.527 -0.001 0.000 0.296 355 F C 2.144 177.925 175.800 -0.032 0.000 1.089 355 F CA 0.551 58.532 58.000 -0.030 0.000 1.343 355 F CB -0.948 38.022 39.000 -0.051 0.000 1.040 355 F HN -0.089 nan 8.300 nan 0.000 0.498 356 L N 0.722 122.010 121.223 0.109 0.000 1.970 356 L HA -0.112 4.228 4.340 -0.001 0.000 0.212 356 L C 2.788 179.684 176.870 0.043 0.000 1.071 356 L CA 2.100 56.973 54.840 0.054 0.000 0.751 356 L CB -1.806 40.268 42.059 0.026 0.000 0.889 356 L HN 0.231 nan 8.230 nan 0.000 0.432 357 G N -1.060 107.743 108.800 0.006 0.000 2.469 357 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.220 357 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.220 357 G C 1.665 176.583 174.900 0.030 0.000 1.136 357 G CA 1.018 46.119 45.100 0.001 0.000 0.759 357 G HN 0.305 nan 8.290 nan 0.000 0.562 358 L N 1.179 122.430 121.223 0.045 0.000 2.044 358 L HA 0.277 4.617 4.340 -0.001 0.000 0.205 358 L C 3.120 180.089 176.870 0.165 0.000 1.075 358 L CA 1.977 56.877 54.840 0.101 0.000 0.747 358 L CB -0.856 41.283 42.059 0.133 0.000 0.903 358 L HN 0.224 nan 8.230 nan 0.000 0.435 359 A N -1.262 121.653 122.820 0.159 0.000 1.948 359 A HA -0.305 4.015 4.320 -0.001 0.000 0.220 359 A C 2.278 179.988 177.584 0.211 0.000 1.177 359 A CA 1.962 54.115 52.037 0.194 0.000 0.636 359 A CB -0.685 18.344 19.000 0.047 0.000 0.815 359 A HN 0.647 nan 8.150 nan 0.000 0.449 360 Q N -0.625 119.255 119.800 0.134 0.000 2.181 360 Q HA -0.169 4.171 4.340 -0.001 0.000 0.205 360 Q C 1.706 177.780 176.000 0.124 0.000 0.980 360 Q CA 1.619 57.485 55.803 0.104 0.000 0.862 360 Q CB -0.092 28.685 28.738 0.065 0.000 0.905 360 Q HN 0.683 nan 8.270 nan 0.000 0.429 361 K N -0.523 119.963 120.400 0.144 0.000 2.432 361 K HA -0.025 4.295 4.320 -0.001 0.000 0.196 361 K C 1.446 178.179 176.600 0.221 0.000 1.038 361 K CA 0.254 56.632 56.287 0.152 0.000 0.986 361 K CB 0.444 33.024 32.500 0.133 0.000 0.782 361 K HN 0.170 nan 8.250 nan 0.000 0.485 362 I N -0.801 119.940 120.570 0.286 0.000 3.196 362 I HA -0.051 4.118 4.170 -0.001 0.000 0.248 362 I C 0.561 176.880 176.117 0.335 0.000 1.105 362 I CA 0.352 61.874 61.300 0.369 0.000 1.482 362 I CB -0.859 37.427 38.000 0.477 0.000 1.400 362 I HN -0.055 nan 8.210 nan 0.000 0.464 363 Y N 5.132 125.506 120.300 0.124 0.000 2.547 363 Y HA 0.063 4.613 4.550 -0.000 0.000 0.338 363 Y C 0.296 176.181 175.900 -0.025 0.000 1.239 363 Y CA 0.163 58.261 58.100 -0.004 0.000 1.897 363 Y CB -0.819 37.443 38.460 -0.331 0.000 1.808 363 Y HN 0.246 nan 8.280 nan 0.000 0.428 364 K N 1.260 121.756 120.400 0.160 0.000 2.633 364 K HA 0.403 4.723 4.320 -0.001 0.000 0.320 364 K C -0.899 175.768 176.600 0.112 0.000 1.312 364 K CA -1.074 55.269 56.287 0.093 0.000 1.081 364 K CB 0.709 33.250 32.500 0.069 0.000 1.406 364 K HN 0.216 nan 8.250 nan 0.000 0.519 365 R N 0.667 121.243 120.500 0.126 0.000 2.531 365 R HA 0.294 4.634 4.340 -0.001 0.000 0.260 365 R C -0.383 176.006 176.300 0.149 0.000 1.144 365 R CA -0.728 55.468 56.100 0.161 0.000 1.171 365 R CB 0.283 30.754 30.300 0.285 0.000 1.199 365 R HN 0.620 nan 8.270 nan 0.000 0.594 366 Q N 0.581 120.490 119.800 0.182 0.000 2.788 366 Q HA 0.261 4.601 4.340 -0.001 0.000 0.261 366 Q C -1.321 174.814 176.000 0.225 0.000 1.029 366 Q CA -0.291 55.605 55.803 0.154 0.000 0.848 366 Q CB 0.063 28.863 28.738 0.103 0.000 1.185 366 Q HN 0.603 nan 8.270 nan 0.000 0.482 367 K N 0.000 120.528 120.400 0.213 0.000 2.780 367 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 367 K CA 0.000 56.420 56.287 0.222 0.000 0.838 367 K CB 0.000 32.614 32.500 0.190 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543