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 1w5s_1_B DATA FIRST_RESID 7 DATA SEQUENCE GLFKDRRVFD ENYIPPELRV RRGEAEALAR IYLNRLLSGA GLSDVNMIYG DATA SEQUENCE SIGRVGIGKT TLAKFTVKRV SEAAAKEGLT VKQAYVNAFN APNLYTILSL DATA SEQUENCE IVRQTGYPIQ VRGAPALDIL KALVDNLYVE NHYLLVILDE FQSMLSSPRI DATA SEQUENCE AAEDLYTLLR VHEEIPSRDG VNRIGFLLVA SDVRALSYMR EKIPQVESQI DATA SEQUENCE GFKLHLPAYK SRELYTILEQ RAELGLRDTV WEPRHLELIS DVYGEDKGGD DATA SEQUENCE GSARRAIVAL KMACEMAEAM GRDSLSEDLV RKAVSENEAA SIQTHELEAL DATA SEQUENCE SIHELIILRL IAEATLGGME WINAGLLRQR YEDASLTMYN VKPRGYTQYH DATA SEQUENCE IYLKHLTSLG LVDAKPSXXX XXXXTTLFRL APHLPADRLI EVVDNIIQAK DATA SEQUENCE MAS 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 7 G HA2 0.000 nan 3.960 nan 0.000 0.244 7 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 7 G C 0.000 174.900 174.900 0.000 0.000 0.946 7 G CA 0.000 45.146 45.100 0.076 0.000 0.502 8 L N 2.064 123.232 121.223 -0.091 0.000 2.286 8 L HA 0.464 4.805 4.340 0.001 0.000 0.203 8 L C 1.351 178.101 176.870 -0.200 0.000 1.068 8 L CA 0.506 55.203 54.840 -0.237 0.000 0.811 8 L CB -0.613 41.167 42.059 -0.465 0.000 0.989 8 L HN 0.571 nan 8.230 nan 0.000 0.467 9 F N 0.771 120.718 119.950 -0.006 0.000 2.589 9 F HA -0.041 4.487 4.527 0.001 0.000 0.352 9 F C 1.673 177.497 175.800 0.041 0.000 1.168 9 F CA 0.616 58.630 58.000 0.023 0.000 1.353 9 F CB 0.306 39.302 39.000 -0.006 0.000 1.116 9 F HN 0.035 nan 8.300 nan 0.000 0.608 10 K N 0.003 120.551 120.400 0.247 0.000 2.464 10 K HA 0.129 4.450 4.320 0.001 0.000 0.206 10 K C -0.559 176.116 176.600 0.125 0.000 1.186 10 K CA 0.150 56.528 56.287 0.150 0.000 0.990 10 K CB 0.751 33.318 32.500 0.111 0.000 1.003 10 K HN 0.552 nan 8.250 nan 0.000 0.562 11 D N 1.115 121.608 120.400 0.155 0.000 2.351 11 D HA 0.195 4.835 4.640 0.001 0.000 0.235 11 D C 0.099 176.438 176.300 0.065 0.000 1.331 11 D CA -0.257 53.780 54.000 0.062 0.000 0.959 11 D CB 0.984 41.783 40.800 -0.002 0.000 1.432 11 D HN 0.068 nan 8.370 nan 0.000 0.544 12 R N 1.130 121.631 120.500 0.001 0.000 2.159 12 R HA -0.086 4.254 4.340 0.001 0.000 0.237 12 R C 1.644 177.895 176.300 -0.081 0.000 1.131 12 R CA 0.871 56.889 56.100 -0.137 0.000 0.982 12 R CB 0.215 30.270 30.300 -0.409 0.000 0.868 12 R HN 0.245 nan 8.270 nan 0.000 0.453 13 R N 0.128 120.555 120.500 -0.120 0.000 2.170 13 R HA -0.119 4.221 4.340 0.001 0.000 0.242 13 R C 2.098 178.187 176.300 -0.353 0.000 1.145 13 R CA 1.048 57.057 56.100 -0.151 0.000 0.984 13 R CB -0.409 29.824 30.300 -0.112 0.000 0.869 13 R HN 0.036 nan 8.270 nan 0.000 0.455 14 V N -0.096 119.478 119.914 -0.566 0.000 2.568 14 V HA -0.216 3.905 4.120 0.001 0.000 0.253 14 V C 1.166 176.782 176.094 -0.797 0.000 1.072 14 V CA 1.581 63.197 62.300 -1.140 0.000 1.084 14 V CB -0.385 30.907 31.823 -0.884 0.000 0.676 14 V HN 0.251 nan 8.190 nan 0.000 0.469 15 F N -1.247 118.563 119.950 -0.233 0.000 2.727 15 F HA 0.248 4.776 4.527 0.001 0.000 0.302 15 F C 0.923 176.684 175.800 -0.065 0.000 1.097 15 F CA -0.581 57.359 58.000 -0.101 0.000 1.330 15 F CB 0.013 38.982 39.000 -0.051 0.000 1.084 15 F HN 0.112 nan 8.300 nan 0.000 0.578 16 D N 1.072 121.511 120.400 0.064 0.000 2.382 16 D HA -0.005 4.636 4.640 0.001 0.000 0.240 16 D C 1.322 177.670 176.300 0.079 0.000 1.146 16 D CA 0.174 54.210 54.000 0.061 0.000 0.897 16 D CB 0.768 41.594 40.800 0.043 0.000 1.197 16 D HN 0.254 nan 8.370 nan 0.000 0.432 17 E N 0.647 120.883 120.200 0.059 0.000 2.338 17 E HA -0.147 4.204 4.350 0.001 0.000 0.197 17 E C 1.144 177.766 176.600 0.037 0.000 1.007 17 E CA 0.613 57.044 56.400 0.051 0.000 0.849 17 E CB -0.117 29.610 29.700 0.045 0.000 0.774 17 E HN 0.587 nan 8.360 nan 0.000 0.506 18 N N -0.662 118.062 118.700 0.039 0.000 2.356 18 N HA -0.106 4.635 4.740 0.001 0.000 0.178 18 N C 0.642 176.156 175.510 0.007 0.000 1.075 18 N CA -0.318 52.731 53.050 -0.001 0.000 0.889 18 N CB -0.229 38.249 38.487 -0.016 0.000 0.999 18 N HN -0.033 nan 8.380 nan 0.000 0.464 19 Y N 2.650 122.914 120.300 -0.060 0.000 2.721 19 Y HA 0.076 4.627 4.550 0.001 0.000 0.329 19 Y C -0.172 175.683 175.900 -0.075 0.000 1.211 19 Y CA -0.291 57.767 58.100 -0.071 0.000 1.512 19 Y CB 0.339 38.746 38.460 -0.088 0.000 1.249 19 Y HN 0.017 nan 8.280 nan 0.000 0.549 20 I N 9.262 129.417 120.570 -0.692 0.000 2.377 20 I HA 0.295 4.466 4.170 0.001 0.000 0.293 20 I C -2.185 173.350 176.117 -0.970 0.000 0.987 20 I CA -2.301 58.662 61.300 -0.560 0.000 1.185 20 I CB 1.268 39.109 38.000 -0.264 0.000 1.341 20 I HN 0.515 nan 8.210 nan 0.000 0.455 21 P HA 0.251 nan 4.420 nan 0.000 0.274 21 P C -1.996 175.209 177.300 -0.159 0.000 1.256 21 P CA -1.147 61.726 63.100 -0.378 0.000 0.795 21 P CB -0.088 31.532 31.700 -0.133 0.000 1.038 22 P HA -0.028 nan 4.420 nan 0.000 0.222 22 P C -0.046 177.357 177.300 0.172 0.000 1.153 22 P CA 1.489 64.622 63.100 0.055 0.000 0.798 22 P CB 0.637 32.360 31.700 0.039 0.000 0.796 23 E N -0.532 119.708 120.200 0.068 0.000 2.317 23 E HA 0.446 4.797 4.350 0.001 0.000 0.270 23 E C -0.615 175.843 176.600 -0.238 0.000 0.885 23 E CA -0.971 55.448 56.400 0.032 0.000 0.760 23 E CB 2.237 31.956 29.700 0.031 0.000 1.227 23 E HN -0.015 nan 8.360 nan 0.000 0.434 24 L N 2.387 123.296 121.223 -0.523 0.000 2.326 24 L HA 0.385 4.726 4.340 0.001 0.000 0.278 24 L C 1.319 178.033 176.870 -0.261 0.000 1.092 24 L CA -0.087 54.435 54.840 -0.530 0.000 0.810 24 L CB 0.765 42.344 42.059 -0.800 0.000 1.153 24 L HN 0.428 nan 8.230 nan 0.000 0.439 25 R N 1.780 122.160 120.500 -0.200 0.000 2.404 25 R HA 0.147 4.488 4.340 0.001 0.000 0.237 25 R C 0.848 177.085 176.300 -0.105 0.000 0.907 25 R CA 0.074 56.100 56.100 -0.123 0.000 1.063 25 R CB 0.769 31.006 30.300 -0.104 0.000 1.134 25 R HN 0.519 nan 8.270 nan 0.000 0.529 26 V N -0.196 119.642 119.914 -0.127 0.000 3.219 26 V HA 0.094 4.214 4.120 0.001 0.000 0.240 26 V C 1.384 177.462 176.094 -0.026 0.000 1.222 26 V CA 0.464 62.724 62.300 -0.066 0.000 1.181 26 V CB 0.332 32.102 31.823 -0.088 0.000 0.941 26 V HN 0.088 nan 8.190 nan 0.000 0.471 27 R N 1.435 121.897 120.500 -0.063 0.000 2.466 27 R HA 0.195 4.535 4.340 0.001 0.000 0.279 27 R C 1.995 178.254 176.300 -0.068 0.000 0.976 27 R CA -0.190 55.886 56.100 -0.040 0.000 1.081 27 R CB -0.071 30.214 30.300 -0.025 0.000 1.215 27 R HN 0.531 nan 8.270 nan 0.000 0.546 28 R N 0.253 120.697 120.500 -0.092 0.000 2.096 28 R HA -0.073 4.267 4.340 0.001 0.000 0.235 28 R C 1.628 177.935 176.300 0.012 0.000 1.127 28 R CA 1.928 57.981 56.100 -0.078 0.000 0.968 28 R CB -0.867 29.390 30.300 -0.072 0.000 0.861 28 R HN 0.131 nan 8.270 nan 0.000 0.440 29 G N 1.954 110.751 108.800 -0.004 0.000 2.394 29 G HA2 -0.229 3.732 3.960 0.001 0.000 0.214 29 G HA3 -0.229 3.732 3.960 0.001 0.000 0.214 29 G C 1.123 176.020 174.900 -0.005 0.000 1.176 29 G CA 0.470 45.571 45.100 0.001 0.000 0.786 29 G HN 0.596 nan 8.290 nan 0.000 0.533 30 E N 0.848 121.036 120.200 -0.020 0.000 2.515 30 E HA 0.222 4.573 4.350 0.001 0.000 0.201 30 E C 2.046 178.632 176.600 -0.023 0.000 1.071 30 E CA 0.423 56.795 56.400 -0.047 0.000 0.880 30 E CB 0.068 29.731 29.700 -0.063 0.000 0.828 30 E HN 0.447 nan 8.360 nan 0.000 0.540 31 A N 1.615 124.463 122.820 0.047 0.000 1.969 31 A HA -0.000 4.320 4.320 0.001 0.000 0.205 31 A C 1.985 179.636 177.584 0.113 0.000 1.364 31 A CA 0.050 52.171 52.037 0.140 0.000 0.756 31 A CB 0.004 19.207 19.000 0.338 0.000 0.988 31 A HN 0.050 nan 8.150 nan 0.000 0.490 32 E N 0.219 120.487 120.200 0.113 0.000 2.160 32 E HA -0.186 4.165 4.350 0.001 0.000 0.195 32 E C 2.141 178.754 176.600 0.022 0.000 0.991 32 E CA 0.967 57.405 56.400 0.062 0.000 0.810 32 E CB -0.153 29.581 29.700 0.058 0.000 0.742 32 E HN 0.579 nan 8.360 nan 0.000 0.466 33 A N 0.764 123.585 122.820 0.002 0.000 1.832 33 A HA -0.144 4.176 4.320 0.001 0.000 0.214 33 A C 2.095 179.649 177.584 -0.049 0.000 1.204 33 A CA 0.837 52.855 52.037 -0.032 0.000 0.606 33 A CB -0.711 18.254 19.000 -0.059 0.000 0.849 33 A HN 0.120 nan 8.150 nan 0.000 0.445 34 L N 0.054 121.224 121.223 -0.088 0.000 1.997 34 L HA -0.271 4.070 4.340 0.001 0.000 0.216 34 L C 3.041 179.969 176.870 0.097 0.000 1.074 34 L CA 2.111 56.900 54.840 -0.086 0.000 0.763 34 L CB -0.775 41.218 42.059 -0.109 0.000 0.890 34 L HN 0.434 nan 8.230 nan 0.000 0.434 35 A N -0.746 122.138 122.820 0.107 0.000 1.958 35 A HA -0.341 3.980 4.320 0.001 0.000 0.221 35 A C 2.441 180.075 177.584 0.083 0.000 1.178 35 A CA 2.339 54.441 52.037 0.108 0.000 0.642 35 A CB -0.639 18.373 19.000 0.020 0.000 0.816 35 A HN 0.383 nan 8.150 nan 0.000 0.453 36 R N -0.388 120.134 120.500 0.037 0.000 2.075 36 R HA 0.009 4.350 4.340 0.001 0.000 0.232 36 R C 1.869 178.180 176.300 0.017 0.000 1.126 36 R CA 1.435 57.544 56.100 0.016 0.000 0.963 36 R CB -0.519 29.779 30.300 -0.004 0.000 0.858 36 R HN 0.574 nan 8.270 nan 0.000 0.435 37 I N -0.474 120.101 120.570 0.007 0.000 2.045 37 I HA -0.375 3.796 4.170 0.001 0.000 0.233 37 I C 1.703 177.830 176.117 0.016 0.000 1.048 37 I CA 1.832 63.125 61.300 -0.012 0.000 1.313 37 I CB -0.499 37.472 38.000 -0.047 0.000 1.043 37 I HN 0.220 nan 8.210 nan 0.000 0.393 38 Y N -0.080 120.251 120.300 0.051 0.000 2.133 38 Y HA -0.366 4.185 4.550 0.001 0.000 0.279 38 Y C 2.411 178.288 175.900 -0.038 0.000 1.209 38 Y CA 1.626 59.738 58.100 0.020 0.000 1.152 38 Y CB -0.365 38.111 38.460 0.025 0.000 0.961 38 Y HN 0.189 nan 8.280 nan 0.000 0.512 39 L N 0.142 121.427 121.223 0.103 0.000 2.044 39 L HA -0.199 4.141 4.340 0.001 0.000 0.205 39 L C 1.679 178.541 176.870 -0.013 0.000 1.075 39 L CA 1.854 56.702 54.840 0.013 0.000 0.747 39 L CB -0.653 41.405 42.059 -0.001 0.000 0.903 39 L HN 0.177 nan 8.230 nan 0.000 0.435 40 N N -1.096 117.602 118.700 -0.002 0.000 2.149 40 N HA -0.179 4.562 4.740 0.001 0.000 0.188 40 N C 1.691 177.190 175.510 -0.018 0.000 1.019 40 N CA 1.016 54.059 53.050 -0.013 0.000 0.857 40 N CB -0.071 38.410 38.487 -0.010 0.000 0.997 40 N HN 0.219 nan 8.380 nan 0.000 0.426 41 R N 0.835 121.326 120.500 -0.015 0.000 2.081 41 R HA -0.078 4.262 4.340 0.001 0.000 0.235 41 R C 2.116 178.390 176.300 -0.044 0.000 1.131 41 R CA 0.800 56.888 56.100 -0.019 0.000 0.960 41 R CB -1.131 29.164 30.300 -0.009 0.000 0.856 41 R HN 0.347 nan 8.270 nan 0.000 0.436 42 L N 0.485 121.658 121.223 -0.083 0.000 1.989 42 L HA -0.203 4.137 4.340 0.001 0.000 0.211 42 L C 2.251 179.060 176.870 -0.103 0.000 1.071 42 L CA 1.209 55.943 54.840 -0.177 0.000 0.749 42 L CB -0.409 41.480 42.059 -0.283 0.000 0.890 42 L HN 0.109 nan 8.230 nan 0.000 0.431 43 L N -0.477 120.706 121.223 -0.067 0.000 2.291 43 L HA -0.095 4.246 4.340 0.001 0.000 0.214 43 L C 2.657 179.517 176.870 -0.017 0.000 1.120 43 L CA 1.492 56.309 54.840 -0.037 0.000 0.799 43 L CB -0.750 41.291 42.059 -0.030 0.000 0.925 43 L HN 0.284 nan 8.230 nan 0.000 0.446 44 S N -1.635 114.055 115.700 -0.016 0.000 2.527 44 S HA 0.232 4.703 4.470 0.001 0.000 0.222 44 S C 1.662 176.263 174.600 0.000 0.000 0.985 44 S CA 0.425 58.622 58.200 -0.006 0.000 0.921 44 S CB -0.077 63.119 63.200 -0.007 0.000 0.772 44 S HN 0.469 nan 8.310 nan 0.000 0.529 45 G N 0.826 109.627 108.800 0.001 0.000 2.176 45 G HA2 -0.231 3.729 3.960 0.001 0.000 0.253 45 G HA3 -0.231 3.729 3.960 0.001 0.000 0.253 45 G C 1.000 175.911 174.900 0.018 0.000 0.979 45 G CA 0.264 45.375 45.100 0.019 0.000 0.641 45 G HN 0.988 nan 8.290 nan 0.000 0.530 46 A N -0.318 122.504 122.820 0.004 0.000 1.859 46 A HA 0.421 4.742 4.320 0.001 0.000 0.218 46 A C 2.691 180.281 177.584 0.010 0.000 1.209 46 A CA 3.075 55.112 52.037 0.000 0.000 0.639 46 A CB -0.614 18.383 19.000 -0.005 0.000 0.835 46 A HN 2.766 nan 8.150 nan 0.000 0.450 47 G N -2.851 105.959 108.800 0.016 0.000 2.342 47 G HA2 0.099 4.059 3.960 0.001 0.000 0.220 47 G HA3 0.099 4.059 3.960 0.001 0.000 0.220 47 G C -0.717 174.209 174.900 0.043 0.000 1.243 47 G CA -0.345 44.811 45.100 0.093 0.000 1.083 47 G HN 0.783 nan 8.290 nan 0.000 0.500 48 L N 1.532 122.833 121.223 0.129 0.000 2.296 48 L HA 0.629 4.970 4.340 0.001 0.000 0.286 48 L C 1.130 178.053 176.870 0.088 0.000 1.023 48 L CA 0.287 55.197 54.840 0.117 0.000 0.812 48 L CB 1.865 44.028 42.059 0.174 0.000 1.223 48 L HN 1.231 nan 8.230 nan 0.000 0.421 49 S N -0.965 114.808 115.700 0.121 0.000 2.227 49 S HA 0.037 4.507 4.470 0.001 0.000 0.267 49 S C -0.006 174.717 174.600 0.205 0.000 0.987 49 S CA -0.603 57.716 58.200 0.198 0.000 1.448 49 S CB 0.060 63.284 63.200 0.039 0.000 1.118 49 S HN 0.509 nan 8.310 nan 0.000 0.555 50 D N 2.732 123.205 120.400 0.122 0.000 2.648 50 D HA 0.270 4.911 4.640 0.001 0.000 0.229 50 D C -0.341 176.032 176.300 0.122 0.000 1.119 50 D CA 0.744 54.785 54.000 0.068 0.000 0.850 50 D CB 0.733 41.504 40.800 -0.048 0.000 1.169 50 D HN 0.274 nan 8.370 nan 0.000 0.489 51 V N 4.688 124.639 119.914 0.062 0.000 2.370 51 V HA 0.305 4.426 4.120 0.001 0.000 0.279 51 V C 0.363 176.364 176.094 -0.156 0.000 1.029 51 V CA -0.721 61.597 62.300 0.030 0.000 0.870 51 V CB 1.077 32.905 31.823 0.008 0.000 0.984 51 V HN 0.443 nan 8.190 nan 0.000 0.451 52 N N 4.259 122.815 118.700 -0.239 0.000 2.381 52 N HA 0.738 5.479 4.740 0.001 0.000 0.294 52 N C -0.865 174.414 175.510 -0.385 0.000 1.216 52 N CA -0.697 51.985 53.050 -0.614 0.000 0.803 52 N CB 2.547 40.213 38.487 -1.370 0.000 1.372 52 N HN 0.668 nan 8.380 nan 0.000 0.500 53 M N 1.124 120.485 119.600 -0.399 0.000 2.433 53 M HA 0.563 5.044 4.480 0.001 0.000 0.290 53 M C -1.942 174.438 176.300 0.134 0.000 1.173 53 M CA -0.482 54.786 55.300 -0.054 0.000 0.905 53 M CB 1.975 34.594 32.600 0.032 0.000 1.692 53 M HN 0.458 nan 8.290 nan 0.000 0.462 54 I N 4.772 125.437 120.570 0.158 0.000 2.582 54 I HA 0.578 4.749 4.170 0.001 0.000 0.292 54 I C -1.468 174.737 176.117 0.147 0.000 1.066 54 I CA -0.756 60.605 61.300 0.101 0.000 1.053 54 I CB 1.979 40.037 38.000 0.097 0.000 1.241 54 I HN 0.792 nan 8.210 nan 0.000 0.421 55 Y N 3.298 123.624 120.300 0.043 0.000 2.670 55 Y HA 0.928 5.479 4.550 0.001 0.000 0.334 55 Y C -0.276 175.596 175.900 -0.046 0.000 1.185 55 Y CA -1.047 57.071 58.100 0.030 0.000 1.053 55 Y CB 1.019 39.527 38.460 0.079 0.000 1.298 55 Y HN 0.548 nan 8.280 nan 0.000 0.459 56 G N 0.100 108.981 108.800 0.134 0.000 3.175 56 G HA2 0.564 4.525 3.960 0.001 0.000 0.255 56 G HA3 0.564 4.525 3.960 0.001 0.000 0.255 56 G C -1.323 173.743 174.900 0.276 0.000 1.352 56 G CA -1.247 43.842 45.100 -0.019 0.000 1.037 56 G HN 0.681 nan 8.290 nan 0.000 0.556 57 S N -0.693 115.144 115.700 0.229 0.000 2.601 57 S HA 0.294 4.765 4.470 0.001 0.000 0.271 57 S C 0.448 175.090 174.600 0.070 0.000 1.305 57 S CA -0.414 57.928 58.200 0.236 0.000 1.022 57 S CB 1.336 64.672 63.200 0.227 0.000 0.940 57 S HN 0.529 nan 8.310 nan 0.000 0.525 58 I N 1.847 122.420 120.570 0.005 0.000 2.752 58 I HA 0.246 4.416 4.170 0.001 0.000 0.289 58 I C 1.260 177.184 176.117 -0.322 0.000 1.197 58 I CA 1.282 62.491 61.300 -0.151 0.000 1.432 58 I CB -0.131 37.764 38.000 -0.175 0.000 1.359 58 I HN 0.964 nan 8.210 nan 0.000 0.571 59 G N 6.570 115.126 108.800 -0.406 0.000 2.217 59 G HA2 -0.232 3.729 3.960 0.001 0.000 0.246 59 G HA3 -0.232 3.729 3.960 0.001 0.000 0.246 59 G C 0.345 175.219 174.900 -0.043 0.000 0.990 59 G CA -0.341 44.588 45.100 -0.285 0.000 0.627 59 G HN 0.604 nan 8.290 nan 0.000 0.522 60 R N 0.399 120.879 120.500 -0.033 0.000 2.297 60 R HA 0.609 4.949 4.340 0.001 0.000 0.308 60 R C 0.141 176.441 176.300 0.001 0.000 1.029 60 R CA 0.234 56.331 56.100 -0.006 0.000 0.929 60 R CB 2.017 32.306 30.300 -0.019 0.000 1.046 60 R HN 0.830 nan 8.270 nan 0.000 0.461 61 V N -2.076 117.844 119.914 0.010 0.000 3.007 61 V HA 0.784 4.904 4.120 0.001 0.000 0.311 61 V C 0.622 176.723 176.094 0.013 0.000 1.120 61 V CA -0.193 62.119 62.300 0.021 0.000 0.980 61 V CB 1.746 33.597 31.823 0.048 0.000 1.033 61 V HN 0.909 nan 8.190 nan 0.000 0.429 62 G N 2.104 110.918 108.800 0.022 0.000 2.147 62 G HA2 -0.222 3.739 3.960 0.001 0.000 0.244 62 G HA3 -0.222 3.739 3.960 0.001 0.000 0.244 62 G C 0.309 175.254 174.900 0.075 0.000 1.005 62 G CA 0.740 45.865 45.100 0.043 0.000 0.713 62 G HN 2.100 nan 8.290 nan 0.000 0.515 63 I N -3.197 117.361 120.570 -0.021 0.000 3.875 63 I HA 0.564 4.735 4.170 0.001 0.000 0.329 63 I C 1.493 177.471 176.117 -0.231 0.000 1.295 63 I CA 0.468 61.633 61.300 -0.226 0.000 1.129 63 I CB 0.281 38.071 38.000 -0.349 0.000 1.008 63 I HN 1.090 nan 8.210 nan 0.000 0.413 64 G N 1.898 110.706 108.800 0.013 0.000 2.134 64 G HA2 -0.238 3.722 3.960 0.001 0.000 0.209 64 G HA3 -0.238 3.722 3.960 0.001 0.000 0.209 64 G C 0.700 175.599 174.900 -0.001 0.000 0.993 64 G CA 0.290 45.432 45.100 0.070 0.000 0.669 64 G HN 0.460 nan 8.290 nan 0.000 0.519 65 K N -0.353 120.032 120.400 -0.025 0.000 1.985 65 K HA -0.051 4.269 4.320 0.001 0.000 0.210 65 K C 2.606 179.226 176.600 0.033 0.000 1.047 65 K CA 1.902 58.182 56.287 -0.011 0.000 0.932 65 K CB -0.408 32.086 32.500 -0.010 0.000 0.716 65 K HN 0.290 nan 8.250 nan 0.000 0.439 66 T N 0.985 115.564 114.554 0.041 0.000 2.720 66 T HA -0.141 4.210 4.350 0.001 0.000 0.268 66 T C 1.978 176.695 174.700 0.028 0.000 1.037 66 T CA 1.893 64.027 62.100 0.057 0.000 1.144 66 T CB -0.444 68.451 68.868 0.045 0.000 0.864 66 T HN 0.295 nan 8.240 nan 0.000 0.444 67 T N 2.471 117.034 114.554 0.014 0.000 2.652 67 T HA -0.091 4.260 4.350 0.001 0.000 0.267 67 T C 1.898 176.631 174.700 0.054 0.000 1.039 67 T CA 1.120 63.224 62.100 0.006 0.000 1.153 67 T CB -0.586 68.274 68.868 -0.012 0.000 0.863 67 T HN 0.129 nan 8.240 nan 0.000 0.428 68 L N 1.388 122.642 121.223 0.052 0.000 2.013 68 L HA -0.065 4.276 4.340 0.001 0.000 0.212 68 L C 2.586 179.539 176.870 0.138 0.000 1.073 68 L CA 2.095 56.988 54.840 0.087 0.000 0.753 68 L CB -1.125 40.964 42.059 0.051 0.000 0.890 68 L HN 0.247 nan 8.230 nan 0.000 0.432 69 A N -0.621 122.266 122.820 0.111 0.000 1.845 69 A HA -0.239 4.082 4.320 0.001 0.000 0.215 69 A C 2.327 179.960 177.584 0.083 0.000 1.195 69 A CA 2.059 54.166 52.037 0.116 0.000 0.616 69 A CB -0.588 18.485 19.000 0.122 0.000 0.832 69 A HN 0.502 nan 8.150 nan 0.000 0.443 70 K N -1.733 118.703 120.400 0.059 0.000 2.103 70 K HA -0.141 4.180 4.320 0.001 0.000 0.207 70 K C 1.787 178.395 176.600 0.013 0.000 1.048 70 K CA 1.665 57.954 56.287 0.002 0.000 0.930 70 K CB -0.317 32.145 32.500 -0.064 0.000 0.716 70 K HN 0.519 nan 8.250 nan 0.000 0.444 71 F N 1.715 121.624 119.950 -0.069 0.000 2.293 71 F HA -0.135 4.392 4.527 0.001 0.000 0.297 71 F C 2.171 177.941 175.800 -0.050 0.000 1.089 71 F CA 1.157 59.114 58.000 -0.071 0.000 1.377 71 F CB -0.088 38.870 39.000 -0.069 0.000 1.051 71 F HN -0.099 nan 8.300 nan 0.000 0.511 72 T N -0.121 114.488 114.554 0.092 0.000 2.701 72 T HA -0.157 4.194 4.350 0.001 0.000 0.263 72 T C 2.177 176.810 174.700 -0.112 0.000 1.040 72 T CA 1.702 63.819 62.100 0.029 0.000 1.147 72 T CB -0.610 68.338 68.868 0.133 0.000 0.865 72 T HN 0.070 nan 8.240 nan 0.000 0.426 73 V N 2.054 121.891 119.914 -0.128 0.000 2.332 73 V HA -0.206 3.915 4.120 0.001 0.000 0.248 73 V C 2.515 178.482 176.094 -0.211 0.000 1.055 73 V CA 1.849 64.030 62.300 -0.198 0.000 1.038 73 V CB -0.585 31.138 31.823 -0.166 0.000 0.651 73 V HN 0.498 nan 8.190 nan 0.000 0.450 74 K N -0.203 120.051 120.400 -0.242 0.000 2.097 74 K HA -0.196 4.125 4.320 0.001 0.000 0.206 74 K C 2.339 178.754 176.600 -0.308 0.000 1.049 74 K CA 1.208 57.328 56.287 -0.279 0.000 0.933 74 K CB -0.101 32.199 32.500 -0.334 0.000 0.717 74 K HN 0.239 nan 8.250 nan 0.000 0.442 75 R N 0.652 120.924 120.500 -0.381 0.000 2.115 75 R HA -0.040 4.301 4.340 0.001 0.000 0.230 75 R C 2.308 178.505 176.300 -0.172 0.000 1.111 75 R CA 0.817 56.737 56.100 -0.300 0.000 0.976 75 R CB -0.601 29.510 30.300 -0.315 0.000 0.870 75 R HN 0.137 nan 8.270 nan 0.000 0.445 76 V N 0.777 120.597 119.914 -0.156 0.000 2.307 76 V HA -0.210 3.911 4.120 0.001 0.000 0.245 76 V C 2.249 178.269 176.094 -0.124 0.000 1.045 76 V CA 1.942 64.170 62.300 -0.120 0.000 1.024 76 V CB -0.464 31.266 31.823 -0.155 0.000 0.651 76 V HN 0.270 nan 8.190 nan 0.000 0.449 77 S N -0.427 115.188 115.700 -0.142 0.000 2.368 77 S HA -0.227 4.244 4.470 0.001 0.000 0.225 77 S C 1.892 176.429 174.600 -0.105 0.000 1.030 77 S CA 1.661 59.789 58.200 -0.120 0.000 0.999 77 S CB -0.276 62.847 63.200 -0.128 0.000 0.844 77 S HN 0.699 nan 8.310 nan 0.000 0.459 78 E N 1.416 121.544 120.200 -0.121 0.000 2.031 78 E HA -0.106 4.245 4.350 0.001 0.000 0.193 78 E C 2.444 178.998 176.600 -0.077 0.000 0.994 78 E CA 1.087 57.426 56.400 -0.102 0.000 0.800 78 E CB -0.307 29.320 29.700 -0.122 0.000 0.752 78 E HN 0.501 nan 8.360 nan 0.000 0.447 79 A N 1.584 124.357 122.820 -0.077 0.000 1.877 79 A HA -0.154 4.167 4.320 0.001 0.000 0.216 79 A C 2.432 179.985 177.584 -0.052 0.000 1.186 79 A CA 1.824 53.827 52.037 -0.056 0.000 0.620 79 A CB -0.873 18.096 19.000 -0.051 0.000 0.822 79 A HN 0.300 nan 8.150 nan 0.000 0.443 80 A N 0.020 122.802 122.820 -0.063 0.000 1.873 80 A HA 0.011 4.332 4.320 0.001 0.000 0.218 80 A C 2.545 180.106 177.584 -0.039 0.000 1.193 80 A CA 2.694 54.694 52.037 -0.061 0.000 0.629 80 A CB -1.234 17.718 19.000 -0.080 0.000 0.826 80 A HN 1.241 nan 8.150 nan 0.000 0.447 81 A N -0.550 122.246 122.820 -0.041 0.000 1.940 81 A HA -0.203 4.118 4.320 0.001 0.000 0.219 81 A C 2.080 179.651 177.584 -0.021 0.000 1.176 81 A CA 1.990 54.010 52.037 -0.029 0.000 0.631 81 A CB -0.464 18.512 19.000 -0.039 0.000 0.814 81 A HN 0.594 nan 8.150 nan 0.000 0.446 82 K N -0.256 120.128 120.400 -0.027 0.000 2.147 82 K HA -0.106 4.214 4.320 0.001 0.000 0.205 82 K C 1.177 177.769 176.600 -0.013 0.000 1.049 82 K CA 1.284 57.559 56.287 -0.020 0.000 0.936 82 K CB -0.029 32.458 32.500 -0.023 0.000 0.722 82 K HN 0.423 nan 8.250 nan 0.000 0.446 83 E N -0.270 119.921 120.200 -0.015 0.000 2.494 83 E HA 0.023 4.373 4.350 0.001 0.000 0.193 83 E C 0.641 177.243 176.600 0.004 0.000 1.074 83 E CA 0.459 56.854 56.400 -0.008 0.000 0.867 83 E CB 0.395 30.086 29.700 -0.015 0.000 0.924 83 E HN 0.438 nan 8.360 nan 0.000 0.502 84 G N 1.677 110.481 108.800 0.007 0.000 2.272 84 G HA2 -0.282 3.678 3.960 0.001 0.000 0.280 84 G HA3 -0.282 3.678 3.960 0.001 0.000 0.280 84 G C 0.648 175.575 174.900 0.046 0.000 1.067 84 G CA 0.504 45.617 45.100 0.022 0.000 0.902 84 G HN 0.352 nan 8.290 nan 0.000 0.500 85 L N -0.894 120.357 121.223 0.047 0.000 2.349 85 L HA 0.210 4.551 4.340 0.001 0.000 0.200 85 L C 1.377 178.359 176.870 0.187 0.000 1.064 85 L CA 1.208 56.111 54.840 0.104 0.000 0.821 85 L CB -0.116 41.958 42.059 0.024 0.000 1.027 85 L HN 0.495 nan 8.230 nan 0.000 0.476 86 T N 0.307 114.921 114.554 0.101 0.000 1.969 86 T HA -0.104 4.246 4.350 0.001 0.000 0.592 86 T C -0.668 174.089 174.700 0.095 0.000 0.903 86 T CA 0.231 62.362 62.100 0.051 0.000 3.149 86 T CB -1.190 67.682 68.868 0.006 0.000 1.870 86 T HN 0.159 nan 8.240 nan 0.000 0.458 87 V N 3.653 123.571 119.914 0.006 0.000 2.448 87 V HA 0.709 4.830 4.120 0.001 0.000 0.295 87 V C -0.038 176.009 176.094 -0.079 0.000 1.025 87 V CA -0.774 61.534 62.300 0.013 0.000 0.859 87 V CB 1.615 33.435 31.823 -0.005 0.000 0.988 87 V HN 0.653 nan 8.190 nan 0.000 0.431 88 K N 5.105 125.457 120.400 -0.079 0.000 2.095 88 K HA 0.574 4.895 4.320 0.001 0.000 0.252 88 K C -0.918 175.626 176.600 -0.094 0.000 0.977 88 K CA -0.701 55.517 56.287 -0.115 0.000 0.900 88 K CB 1.755 34.174 32.500 -0.135 0.000 1.060 88 K HN 0.797 nan 8.250 nan 0.000 0.449 89 Q N 0.305 120.046 119.800 -0.099 0.000 2.337 89 Q HA 0.641 4.981 4.340 0.001 0.000 0.266 89 Q C -1.215 174.750 176.000 -0.058 0.000 1.023 89 Q CA -1.044 54.707 55.803 -0.086 0.000 0.829 89 Q CB 2.208 30.893 28.738 -0.088 0.000 1.306 89 Q HN 0.624 nan 8.270 nan 0.000 0.449 90 A N 2.195 124.991 122.820 -0.039 0.000 2.393 90 A HA 0.582 4.903 4.320 0.001 0.000 0.306 90 A C -2.061 175.557 177.584 0.057 0.000 1.050 90 A CA -0.579 51.458 52.037 -0.001 0.000 0.724 90 A CB 1.163 20.149 19.000 -0.024 0.000 1.248 90 A HN 0.714 nan 8.150 nan 0.000 0.424 91 Y N 2.423 122.700 120.300 -0.039 0.000 2.328 91 Y HA 0.603 5.154 4.550 0.001 0.000 0.336 91 Y C -1.217 174.677 175.900 -0.010 0.000 0.960 91 Y CA -0.747 57.337 58.100 -0.026 0.000 1.134 91 Y CB 1.633 40.075 38.460 -0.030 0.000 1.166 91 Y HN 0.466 nan 8.280 nan 0.000 0.464 92 V N 6.841 126.395 119.914 -0.601 0.000 2.483 92 V HA 0.275 4.396 4.120 0.001 0.000 0.297 92 V C -0.608 175.078 176.094 -0.679 0.000 1.027 92 V CA -1.120 60.889 62.300 -0.485 0.000 0.855 92 V CB 1.619 33.326 31.823 -0.194 0.000 0.995 92 V HN 0.797 nan 8.190 nan 0.000 0.424 93 N N 3.216 121.581 118.700 -0.557 0.000 2.422 93 N HA 0.286 5.027 4.740 0.001 0.000 0.264 93 N C 0.993 176.382 175.510 -0.201 0.000 1.063 93 N CA 0.276 53.109 53.050 -0.361 0.000 0.959 93 N CB 2.113 40.523 38.487 -0.128 0.000 1.087 93 N HN 0.796 nan 8.380 nan 0.000 0.483 94 A N 4.172 126.854 122.820 -0.229 0.000 2.131 94 A HA -0.115 4.205 4.320 0.001 0.000 0.220 94 A C 1.082 178.712 177.584 0.076 0.000 1.158 94 A CA 0.919 52.891 52.037 -0.108 0.000 0.665 94 A CB -0.559 18.360 19.000 -0.136 0.000 0.795 94 A HN 0.653 nan 8.150 nan 0.000 0.460 95 F N 0.146 120.065 119.950 -0.051 0.000 2.771 95 F HA -0.002 4.525 4.527 0.001 0.000 0.299 95 F C 0.973 176.791 175.800 0.031 0.000 1.177 95 F CA 0.546 58.548 58.000 0.004 0.000 1.450 95 F CB -1.162 37.857 39.000 0.032 0.000 1.114 95 F HN 0.384 nan 8.300 nan 0.000 0.587 96 N N -0.602 118.198 118.700 0.167 0.000 2.238 96 N HA 0.418 5.159 4.740 0.001 0.000 0.235 96 N C 0.124 175.678 175.510 0.073 0.000 1.209 96 N CA 0.143 53.260 53.050 0.112 0.000 0.879 96 N CB 0.832 39.375 38.487 0.094 0.000 1.136 96 N HN 0.020 nan 8.380 nan 0.000 0.517 97 A N 0.991 123.851 122.820 0.067 0.000 3.370 97 A HA 0.403 4.724 4.320 0.001 0.000 0.295 97 A C -2.162 175.449 177.584 0.045 0.000 1.030 97 A CA -0.858 51.205 52.037 0.042 0.000 0.883 97 A CB 0.512 19.515 19.000 0.005 0.000 1.191 97 A HN -0.071 nan 8.150 nan 0.000 0.507 98 P HA -0.050 nan 4.420 nan 0.000 0.228 98 P C -0.072 177.253 177.300 0.041 0.000 1.151 98 P CA 1.386 64.515 63.100 0.048 0.000 0.770 98 P CB 0.046 31.777 31.700 0.052 0.000 0.786 99 N N -3.172 115.564 118.700 0.060 0.000 2.825 99 N HA 0.088 4.828 4.740 0.001 0.000 0.253 99 N C 0.137 175.693 175.510 0.077 0.000 1.426 99 N CA -0.854 52.234 53.050 0.064 0.000 0.851 99 N CB -0.089 38.444 38.487 0.078 0.000 1.470 99 N HN -0.344 nan 8.380 nan 0.000 0.517 100 L N 0.078 121.344 121.223 0.073 0.000 2.042 100 L HA -0.045 4.296 4.340 0.001 0.000 0.210 100 L C 1.997 178.926 176.870 0.098 0.000 1.076 100 L CA 1.792 56.674 54.840 0.070 0.000 0.749 100 L CB -1.163 40.932 42.059 0.061 0.000 0.893 100 L HN 0.759 nan 8.230 nan 0.000 0.432 101 Y N -0.047 120.263 120.300 0.016 0.000 2.128 101 Y HA -0.295 4.255 4.550 0.001 0.000 0.284 101 Y C 2.323 178.236 175.900 0.022 0.000 1.154 101 Y CA 2.611 60.723 58.100 0.020 0.000 1.149 101 Y CB -0.740 37.730 38.460 0.016 0.000 0.976 101 Y HN 0.251 nan 8.280 nan 0.000 0.505 102 T N 1.208 115.814 114.554 0.087 0.000 2.821 102 T HA -0.164 4.186 4.350 0.001 0.000 0.267 102 T C 1.926 176.583 174.700 -0.073 0.000 1.046 102 T CA 1.806 63.886 62.100 -0.033 0.000 1.139 102 T CB -0.497 68.435 68.868 0.106 0.000 0.871 102 T HN 0.396 nan 8.240 nan 0.000 0.454 103 I N 0.838 121.394 120.570 -0.024 0.000 2.163 103 I HA -0.165 4.005 4.170 0.001 0.000 0.243 103 I C 2.362 178.452 176.117 -0.044 0.000 1.085 103 I CA 1.326 62.614 61.300 -0.021 0.000 1.347 103 I CB -0.425 37.582 38.000 0.012 0.000 1.044 103 I HN 0.189 nan 8.210 nan 0.000 0.408 104 L N -0.368 120.815 121.223 -0.068 0.000 2.017 104 L HA -0.243 4.097 4.340 0.001 0.000 0.208 104 L C 2.775 179.564 176.870 -0.135 0.000 1.073 104 L CA 1.602 56.396 54.840 -0.076 0.000 0.745 104 L CB -0.738 41.280 42.059 -0.068 0.000 0.894 104 L HN 0.284 nan 8.230 nan 0.000 0.432 105 S N 0.328 115.859 115.700 -0.282 0.000 2.368 105 S HA -0.230 4.240 4.470 0.001 0.000 0.226 105 S C 2.016 176.533 174.600 -0.138 0.000 1.044 105 S CA 1.625 59.649 58.200 -0.293 0.000 1.062 105 S CB -0.299 62.609 63.200 -0.487 0.000 0.931 105 S HN 0.302 nan 8.310 nan 0.000 0.440 106 L N 0.554 121.714 121.223 -0.104 0.000 2.093 106 L HA -0.005 4.336 4.340 0.001 0.000 0.208 106 L C 2.368 179.215 176.870 -0.037 0.000 1.085 106 L CA 1.037 55.846 54.840 -0.051 0.000 0.755 106 L CB -0.415 41.622 42.059 -0.037 0.000 0.904 106 L HN 0.382 nan 8.230 nan 0.000 0.435 107 I N -0.616 119.933 120.570 -0.036 0.000 2.179 107 I HA -0.261 3.910 4.170 0.001 0.000 0.242 107 I C 2.526 178.630 176.117 -0.022 0.000 1.088 107 I CA 1.541 62.829 61.300 -0.019 0.000 1.357 107 I CB -0.387 37.617 38.000 0.006 0.000 1.051 107 I HN 0.198 nan 8.210 nan 0.000 0.409 108 V N -0.262 119.639 119.914 -0.022 0.000 2.515 108 V HA -0.210 3.910 4.120 0.001 0.000 0.250 108 V C 2.549 178.626 176.094 -0.028 0.000 1.058 108 V CA 1.692 63.992 62.300 -0.002 0.000 1.064 108 V CB -0.843 30.994 31.823 0.022 0.000 0.675 108 V HN 0.393 nan 8.190 nan 0.000 0.461 109 R N -0.241 120.237 120.500 -0.036 0.000 2.120 109 R HA -0.139 4.202 4.340 0.001 0.000 0.234 109 R C 2.406 178.676 176.300 -0.049 0.000 1.123 109 R CA 1.932 58.012 56.100 -0.034 0.000 0.975 109 R CB -0.276 30.010 30.300 -0.024 0.000 0.866 109 R HN 0.699 nan 8.270 nan 0.000 0.446 110 Q N -0.698 119.069 119.800 -0.054 0.000 2.172 110 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 110 Q C 2.032 177.951 176.000 -0.134 0.000 0.964 110 Q CA 1.892 57.654 55.803 -0.069 0.000 0.855 110 Q CB 0.176 28.888 28.738 -0.043 0.000 0.918 110 Q HN 0.523 nan 8.270 nan 0.000 0.444 111 T N -3.108 111.336 114.554 -0.183 0.000 2.821 111 T HA -0.005 4.345 4.350 0.001 0.000 0.267 111 T C 1.558 175.955 174.700 -0.505 0.000 1.046 111 T CA 1.011 62.862 62.100 -0.415 0.000 1.139 111 T CB -0.232 68.319 68.868 -0.528 0.000 0.871 111 T HN 0.454 nan 8.240 nan 0.000 0.454 112 G N 0.325 108.970 108.800 -0.259 0.000 2.136 112 G HA2 -0.231 3.729 3.960 0.001 0.000 0.242 112 G HA3 -0.231 3.729 3.960 0.001 0.000 0.242 112 G C -0.034 174.839 174.900 -0.046 0.000 0.989 112 G CA 0.168 45.180 45.100 -0.146 0.000 0.682 112 G HN 0.716 nan 8.290 nan 0.000 0.522 113 Y N 0.202 120.511 120.300 0.015 0.000 2.299 113 Y HA 0.439 4.990 4.550 0.001 0.000 0.326 113 Y C -1.647 174.256 175.900 0.005 0.000 1.164 113 Y CA -2.355 55.752 58.100 0.011 0.000 1.234 113 Y CB 1.371 39.839 38.460 0.013 0.000 1.219 113 Y HN -0.011 nan 8.280 nan 0.000 0.497 114 P HA 0.208 nan 4.420 nan 0.000 0.252 114 P C -0.940 176.402 177.300 0.071 0.000 1.727 114 P CA 0.462 63.616 63.100 0.090 0.000 1.134 114 P CB -0.316 31.421 31.700 0.061 0.000 1.876 115 I N 1.639 122.254 120.570 0.075 0.000 2.436 115 I HA 0.216 4.386 4.170 0.001 0.000 0.289 115 I C 0.466 176.609 176.117 0.044 0.000 1.010 115 I CA -1.163 60.170 61.300 0.056 0.000 1.098 115 I CB 1.987 40.027 38.000 0.068 0.000 1.266 115 I HN -0.029 nan 8.210 nan 0.000 0.434 116 Q N 4.241 124.065 119.800 0.040 0.000 2.244 116 Q HA 0.089 4.429 4.340 0.001 0.000 0.276 116 Q C 0.380 176.412 176.000 0.053 0.000 1.122 116 Q CA 0.312 56.142 55.803 0.045 0.000 0.920 116 Q CB 1.189 29.953 28.738 0.043 0.000 1.186 116 Q HN 0.615 nan 8.270 nan 0.000 0.393 117 V N 3.552 123.501 119.914 0.058 0.000 2.735 117 V HA 0.079 4.200 4.120 0.001 0.000 0.234 117 V C 0.728 176.943 176.094 0.201 0.000 1.121 117 V CA 0.257 62.596 62.300 0.065 0.000 1.160 117 V CB -0.072 31.733 31.823 -0.031 0.000 0.908 117 V HN 0.663 nan 8.190 nan 0.000 0.495 118 R N 1.100 121.704 120.500 0.175 0.000 2.549 118 R HA 0.166 4.506 4.340 0.001 0.000 0.336 118 R C 1.252 177.632 176.300 0.133 0.000 0.891 118 R CA 1.093 57.303 56.100 0.183 0.000 1.102 118 R CB -0.568 29.797 30.300 0.108 0.000 0.899 118 R HN 0.745 nan 8.270 nan 0.000 0.407 119 G N 1.387 110.260 108.800 0.121 0.000 2.213 119 G HA2 -0.293 3.667 3.960 0.001 0.000 0.236 119 G HA3 -0.293 3.667 3.960 0.001 0.000 0.236 119 G C 0.038 174.975 174.900 0.062 0.000 0.991 119 G CA -0.079 45.052 45.100 0.051 0.000 0.629 119 G HN 0.829 nan 8.290 nan 0.000 0.517 120 A N 0.974 123.867 122.820 0.122 0.000 2.301 120 A HA 0.808 5.128 4.320 0.001 0.000 0.312 120 A C -1.749 175.912 177.584 0.130 0.000 1.182 120 A CA -1.197 50.903 52.037 0.105 0.000 0.826 120 A CB 0.778 19.837 19.000 0.099 0.000 1.134 120 A HN 0.139 nan 8.150 nan 0.000 0.501 121 P HA 0.198 nan 4.420 nan 0.000 0.268 121 P C 0.945 178.309 177.300 0.106 0.000 1.208 121 P CA 0.477 63.626 63.100 0.082 0.000 0.777 121 P CB 0.725 32.455 31.700 0.049 0.000 0.875 122 A N 1.940 124.827 122.820 0.112 0.000 1.902 122 A HA -0.187 4.134 4.320 0.001 0.000 0.217 122 A C 1.929 179.554 177.584 0.068 0.000 1.181 122 A CA 1.528 53.630 52.037 0.108 0.000 0.623 122 A CB -1.496 17.566 19.000 0.102 0.000 0.818 122 A HN 0.548 nan 8.150 nan 0.000 0.443 123 L N 0.373 121.629 121.223 0.055 0.000 2.043 123 L HA -0.210 4.130 4.340 0.001 0.000 0.212 123 L C 1.660 178.551 176.870 0.035 0.000 1.075 123 L CA 2.489 57.353 54.840 0.040 0.000 0.752 123 L CB -0.726 41.353 42.059 0.033 0.000 0.891 123 L HN 0.391 nan 8.230 nan 0.000 0.432 124 D N -0.678 119.745 120.400 0.039 0.000 2.178 124 D HA -0.161 4.479 4.640 0.001 0.000 0.201 124 D C 2.277 178.597 176.300 0.034 0.000 0.980 124 D CA 1.696 55.716 54.000 0.034 0.000 0.842 124 D CB 0.024 40.847 40.800 0.037 0.000 0.948 124 D HN 0.457 nan 8.370 nan 0.000 0.472 125 I N 0.283 120.879 120.570 0.042 0.000 2.193 125 I HA -0.209 3.961 4.170 0.001 0.000 0.240 125 I C 2.363 178.499 176.117 0.031 0.000 1.084 125 I CA 0.305 61.627 61.300 0.035 0.000 1.365 125 I CB -0.208 37.808 38.000 0.027 0.000 1.064 125 I HN -0.037 nan 8.210 nan 0.000 0.410 126 L N 1.371 122.614 121.223 0.033 0.000 1.990 126 L HA -0.262 4.078 4.340 0.001 0.000 0.213 126 L C 2.479 179.364 176.870 0.025 0.000 1.072 126 L CA 1.961 56.821 54.840 0.034 0.000 0.755 126 L CB -0.779 41.300 42.059 0.034 0.000 0.889 126 L HN 0.124 nan 8.230 nan 0.000 0.432 127 K N -0.921 119.491 120.400 0.019 0.000 2.059 127 K HA -0.256 4.064 4.320 0.001 0.000 0.212 127 K C 2.009 178.613 176.600 0.006 0.000 1.050 127 K CA 1.784 58.077 56.287 0.010 0.000 0.927 127 K CB -0.552 31.954 32.500 0.009 0.000 0.714 127 K HN 0.503 nan 8.250 nan 0.000 0.447 128 A N 1.185 124.011 122.820 0.011 0.000 1.972 128 A HA -0.157 4.164 4.320 0.001 0.000 0.219 128 A C 2.077 179.656 177.584 -0.009 0.000 1.169 128 A CA 1.233 53.272 52.037 0.003 0.000 0.635 128 A CB -0.414 18.595 19.000 0.014 0.000 0.810 128 A HN 0.258 nan 8.150 nan 0.000 0.446 129 L N -0.265 120.966 121.223 0.014 0.000 2.072 129 L HA -0.039 4.301 4.340 0.001 0.000 0.205 129 L C 2.360 179.231 176.870 0.002 0.000 1.079 129 L CA 1.708 56.566 54.840 0.029 0.000 0.752 129 L CB -0.649 41.453 42.059 0.071 0.000 0.906 129 L HN 0.132 nan 8.230 nan 0.000 0.436 130 V N 0.107 120.029 119.914 0.014 0.000 2.252 130 V HA -0.348 3.772 4.120 0.001 0.000 0.249 130 V C 2.351 178.446 176.094 0.002 0.000 1.056 130 V CA 2.198 64.510 62.300 0.020 0.000 1.022 130 V CB -0.816 31.022 31.823 0.026 0.000 0.641 130 V HN 0.441 nan 8.190 nan 0.000 0.445 131 D N -0.141 120.251 120.400 -0.013 0.000 2.123 131 D HA -0.151 4.489 4.640 0.001 0.000 0.196 131 D C 2.144 178.413 176.300 -0.051 0.000 0.992 131 D CA 1.175 55.175 54.000 0.000 0.000 0.833 131 D CB -0.323 40.472 40.800 -0.008 0.000 0.954 131 D HN 0.416 nan 8.370 nan 0.000 0.455 132 N N -0.270 118.318 118.700 -0.188 0.000 2.244 132 N HA -0.111 4.630 4.740 0.001 0.000 0.183 132 N C 1.486 176.683 175.510 -0.521 0.000 1.016 132 N CA 0.312 53.095 53.050 -0.445 0.000 0.866 132 N CB 0.088 38.121 38.487 -0.756 0.000 0.980 132 N HN 0.136 nan 8.380 nan 0.000 0.430 133 L N 0.481 121.519 121.223 -0.308 0.000 2.056 133 L HA -0.146 4.194 4.340 0.001 0.000 0.207 133 L C 2.163 178.927 176.870 -0.176 0.000 1.078 133 L CA 1.362 56.092 54.840 -0.183 0.000 0.749 133 L CB -1.507 40.529 42.059 -0.038 0.000 0.901 133 L HN 0.219 nan 8.230 nan 0.000 0.433 134 Y N -0.209 119.966 120.300 -0.207 0.000 2.114 134 Y HA -0.219 4.332 4.550 0.001 0.000 0.284 134 Y C 2.448 178.233 175.900 -0.191 0.000 1.143 134 Y CA 1.771 59.765 58.100 -0.177 0.000 1.135 134 Y CB -0.574 37.812 38.460 -0.123 0.000 0.980 134 Y HN -0.078 nan 8.280 nan 0.000 0.499 135 V N 1.107 120.792 119.914 -0.381 0.000 2.287 135 V HA -0.308 3.812 4.120 0.001 0.000 0.248 135 V C 2.112 177.927 176.094 -0.465 0.000 1.053 135 V CA 2.500 64.523 62.300 -0.463 0.000 1.027 135 V CB -0.573 31.105 31.823 -0.243 0.000 0.646 135 V HN 0.481 nan 8.190 nan 0.000 0.447 136 E N -0.697 119.217 120.200 -0.476 0.000 2.442 136 E HA -0.027 4.323 4.350 0.001 0.000 0.195 136 E C 0.565 176.853 176.600 -0.521 0.000 1.030 136 E CA 0.218 56.276 56.400 -0.571 0.000 0.869 136 E CB -0.056 29.118 29.700 -0.878 0.000 0.857 136 E HN 0.577 nan 8.360 nan 0.000 0.505 137 N N 1.400 119.863 118.700 -0.395 0.000 2.746 137 N HA -0.184 4.556 4.740 0.001 0.000 0.250 137 N C -1.463 174.012 175.510 -0.058 0.000 1.055 137 N CA 0.691 53.596 53.050 -0.241 0.000 0.699 137 N CB -1.874 36.517 38.487 -0.161 0.000 0.919 137 N HN 0.392 nan 8.380 nan 0.000 0.548 138 H N -0.370 118.592 119.070 -0.181 0.000 2.573 138 H HA 0.443 5.000 4.556 0.001 0.000 0.351 138 H C -0.553 174.631 175.328 -0.241 0.000 1.163 138 H CA -0.766 55.232 56.048 -0.082 0.000 1.205 138 H CB 0.914 30.730 29.762 0.090 0.000 1.605 138 H HN 0.108 nan 8.280 nan 0.000 0.525 139 Y N 0.965 121.353 120.300 0.146 0.000 2.468 139 Y HA 0.318 4.869 4.550 0.001 0.000 0.342 139 Y C -0.739 175.179 175.900 0.029 0.000 1.021 139 Y CA -0.982 57.160 58.100 0.071 0.000 1.079 139 Y CB 1.609 40.085 38.460 0.026 0.000 1.226 139 Y HN 0.292 nan 8.280 nan 0.000 0.460 140 L N 4.194 125.514 121.223 0.161 0.000 2.372 140 L HA 0.562 4.903 4.340 0.001 0.000 0.274 140 L C -1.906 174.917 176.870 -0.079 0.000 0.988 140 L CA -0.798 54.060 54.840 0.030 0.000 0.833 140 L CB 1.320 43.395 42.059 0.027 0.000 1.236 140 L HN 0.563 nan 8.230 nan 0.000 0.410 141 L N 6.773 127.918 121.223 -0.129 0.000 2.294 141 L HA 0.580 4.921 4.340 0.001 0.000 0.283 141 L C -0.994 175.755 176.870 -0.202 0.000 1.015 141 L CA -0.302 54.408 54.840 -0.218 0.000 0.831 141 L CB 1.507 43.395 42.059 -0.284 0.000 1.217 141 L HN 0.376 nan 8.230 nan 0.000 0.420 142 V N 6.608 126.361 119.914 -0.268 0.000 2.407 142 V HA 0.402 4.522 4.120 0.001 0.000 0.278 142 V C 0.420 176.488 176.094 -0.045 0.000 1.037 142 V CA -0.485 61.724 62.300 -0.152 0.000 0.900 142 V CB 1.339 33.056 31.823 -0.178 0.000 0.983 142 V HN 0.550 nan 8.190 nan 0.000 0.459 143 I N 5.976 126.544 120.570 -0.004 0.000 2.325 143 I HA 0.337 4.508 4.170 0.001 0.000 0.291 143 I C -0.335 175.741 176.117 -0.067 0.000 1.019 143 I CA -0.165 61.147 61.300 0.021 0.000 1.302 143 I CB 0.861 38.948 38.000 0.146 0.000 1.401 143 I HN 0.356 nan 8.210 nan 0.000 0.485 144 L N 5.988 127.180 121.223 -0.052 0.000 2.283 144 L HA 0.401 4.741 4.340 0.001 0.000 0.281 144 L C -0.385 176.443 176.870 -0.072 0.000 1.033 144 L CA -0.431 54.364 54.840 -0.074 0.000 0.848 144 L CB 0.862 42.927 42.059 0.010 0.000 1.226 144 L HN 0.542 nan 8.230 nan 0.000 0.429 145 D N 2.938 123.227 120.400 -0.184 0.000 2.277 145 D HA 0.141 4.782 4.640 0.001 0.000 0.250 145 D C 0.389 176.565 176.300 -0.207 0.000 1.032 145 D CA 0.030 53.949 54.000 -0.136 0.000 0.947 145 D CB 1.141 41.877 40.800 -0.107 0.000 1.159 145 D HN 0.360 nan 8.370 nan 0.000 0.460 146 E N 1.411 121.470 120.200 -0.234 0.000 2.360 146 E HA -0.272 4.078 4.350 0.001 0.000 0.238 146 E C 0.696 177.163 176.600 -0.222 0.000 1.186 146 E CA 0.152 56.302 56.400 -0.417 0.000 0.719 146 E CB -1.868 27.148 29.700 -1.139 0.000 1.236 146 E HN 0.514 nan 8.360 nan 0.000 0.386 147 F N 1.757 121.585 119.950 -0.203 0.000 2.365 147 F HA -0.191 4.336 4.527 0.001 0.000 0.300 147 F C 2.515 178.230 175.800 -0.142 0.000 1.090 147 F CA 1.915 59.825 58.000 -0.150 0.000 1.408 147 F CB 0.183 39.125 39.000 -0.098 0.000 1.060 147 F HN 0.165 nan 8.300 nan 0.000 0.534 148 Q N 0.403 120.095 119.800 -0.181 0.000 2.135 148 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 148 Q C 1.689 177.473 176.000 -0.361 0.000 0.981 148 Q CA 1.976 57.605 55.803 -0.290 0.000 0.856 148 Q CB -1.701 26.929 28.738 -0.180 0.000 0.902 148 Q HN 0.503 nan 8.270 nan 0.000 0.425 149 S N -1.647 113.902 115.700 -0.252 0.000 2.685 149 S HA 0.296 4.767 4.470 0.001 0.000 0.240 149 S C 1.228 175.726 174.600 -0.170 0.000 0.967 149 S CA -0.286 57.821 58.200 -0.155 0.000 1.009 149 S CB 0.111 63.325 63.200 0.024 0.000 0.776 149 S HN 0.353 nan 8.310 nan 0.000 0.467 150 M N -0.359 119.048 119.600 -0.321 0.000 2.180 150 M HA 0.381 4.861 4.480 0.001 0.000 0.289 150 M C 0.841 176.882 176.300 -0.433 0.000 1.089 150 M CA 0.400 55.494 55.300 -0.343 0.000 1.120 150 M CB 0.328 32.667 32.600 -0.435 0.000 1.864 150 M HN 0.377 nan 8.290 nan 0.000 0.636 151 L N -0.103 120.781 121.223 -0.564 0.000 2.341 151 L HA -0.022 4.319 4.340 0.001 0.000 0.214 151 L C 2.315 179.023 176.870 -0.272 0.000 1.115 151 L CA 1.151 55.739 54.840 -0.421 0.000 0.820 151 L CB -0.209 41.587 42.059 -0.437 0.000 0.944 151 L HN 0.298 nan 8.230 nan 0.000 0.452 152 S N -2.288 113.220 115.700 -0.320 0.000 2.427 152 S HA -0.018 4.452 4.470 0.001 0.000 0.224 152 S C 1.258 175.796 174.600 -0.103 0.000 1.047 152 S CA -0.006 58.063 58.200 -0.219 0.000 0.953 152 S CB -0.321 62.691 63.200 -0.314 0.000 0.824 152 S HN 0.206 nan 8.310 nan 0.000 0.502 153 S N 4.643 120.277 115.700 -0.110 0.000 3.361 153 S HA 0.036 4.507 4.470 0.001 0.000 0.396 153 S C -1.152 173.419 174.600 -0.048 0.000 1.165 153 S CA -0.738 57.425 58.200 -0.062 0.000 1.192 153 S CB 0.339 63.501 63.200 -0.064 0.000 0.843 153 S HN 0.339 nan 8.310 nan 0.000 0.528 154 P HA -0.066 nan 4.420 nan 0.000 0.228 154 P C 1.033 178.323 177.300 -0.017 0.000 1.151 154 P CA 0.507 63.597 63.100 -0.017 0.000 0.770 154 P CB 0.131 31.828 31.700 -0.005 0.000 0.786 155 R N -0.121 120.369 120.500 -0.016 0.000 2.307 155 R HA 0.186 4.527 4.340 0.001 0.000 0.199 155 R C 0.603 176.896 176.300 -0.012 0.000 1.000 155 R CA 0.304 56.399 56.100 -0.008 0.000 1.023 155 R CB -0.706 29.595 30.300 0.001 0.000 0.908 155 R HN 0.166 nan 8.270 nan 0.000 0.473 156 I N 1.068 121.620 120.570 -0.031 0.000 2.466 156 I HA 0.351 4.522 4.170 0.001 0.000 0.279 156 I C -0.444 175.641 176.117 -0.053 0.000 1.033 156 I CA -0.873 60.403 61.300 -0.040 0.000 1.123 156 I CB 1.664 39.627 38.000 -0.062 0.000 1.237 156 I HN 0.043 nan 8.210 nan 0.000 0.460 157 A N 4.192 126.990 122.820 -0.037 0.000 2.386 157 A HA 0.591 4.912 4.320 0.001 0.000 0.248 157 A C 1.488 179.029 177.584 -0.072 0.000 1.082 157 A CA 0.401 52.413 52.037 -0.042 0.000 0.789 157 A CB 0.666 19.655 19.000 -0.017 0.000 1.025 157 A HN 0.893 nan 8.150 nan 0.000 0.490 158 A N 0.402 123.163 122.820 -0.097 0.000 1.958 158 A HA -0.244 4.077 4.320 0.001 0.000 0.221 158 A C 1.909 179.397 177.584 -0.160 0.000 1.178 158 A CA 2.207 54.125 52.037 -0.198 0.000 0.642 158 A CB -0.714 18.178 19.000 -0.179 0.000 0.816 158 A HN 1.025 nan 8.150 nan 0.000 0.453 159 E N -0.717 119.482 120.200 -0.003 0.000 2.208 159 E HA -0.199 4.151 4.350 0.001 0.000 0.193 159 E C 0.987 177.628 176.600 0.069 0.000 0.988 159 E CA 1.133 57.594 56.400 0.101 0.000 0.828 159 E CB -0.307 29.447 29.700 0.090 0.000 0.763 159 E HN 0.491 nan 8.360 nan 0.000 0.478 160 D N 0.826 121.236 120.400 0.017 0.000 2.117 160 D HA -0.121 4.520 4.640 0.001 0.000 0.197 160 D C 1.894 178.197 176.300 0.006 0.000 0.987 160 D CA 0.692 54.701 54.000 0.016 0.000 0.829 160 D CB -0.103 40.700 40.800 0.004 0.000 0.961 160 D HN 0.200 nan 8.370 nan 0.000 0.460 161 L N -0.165 121.035 121.223 -0.038 0.000 2.093 161 L HA -0.096 4.245 4.340 0.001 0.000 0.208 161 L C 2.103 178.970 176.870 -0.006 0.000 1.085 161 L CA 1.339 56.144 54.840 -0.057 0.000 0.755 161 L CB -1.040 40.941 42.059 -0.130 0.000 0.904 161 L HN 0.211 nan 8.230 nan 0.000 0.435 162 Y N -0.673 119.608 120.300 -0.031 0.000 2.373 162 Y HA -0.218 4.332 4.550 0.001 0.000 0.293 162 Y C 2.529 178.403 175.900 -0.042 0.000 1.129 162 Y CA 1.066 59.145 58.100 -0.034 0.000 1.226 162 Y CB 0.036 38.487 38.460 -0.015 0.000 1.000 162 Y HN 0.369 nan 8.280 nan 0.000 0.549 163 T N -2.208 112.421 114.554 0.125 0.000 3.014 163 T HA -0.099 4.251 4.350 0.001 0.000 0.263 163 T C 1.633 176.343 174.700 0.016 0.000 1.078 163 T CA 0.597 62.731 62.100 0.056 0.000 1.135 163 T CB -0.396 68.501 68.868 0.049 0.000 0.895 163 T HN 0.223 nan 8.240 nan 0.000 0.480 164 L N 0.241 121.456 121.223 -0.013 0.000 2.084 164 L HA 0.317 4.657 4.340 0.001 0.000 0.202 164 L C 2.102 178.831 176.870 -0.236 0.000 1.074 164 L CA 1.274 56.073 54.840 -0.068 0.000 0.757 164 L CB -0.718 41.283 42.059 -0.098 0.000 0.918 164 L HN 0.136 nan 8.230 nan 0.000 0.444 165 L N -0.096 120.928 121.223 -0.332 0.000 2.156 165 L HA -0.018 4.323 4.340 0.001 0.000 0.208 165 L C 1.526 178.328 176.870 -0.114 0.000 1.095 165 L CA 1.346 55.898 54.840 -0.481 0.000 0.770 165 L CB -1.020 40.845 42.059 -0.323 0.000 0.914 165 L HN 0.299 nan 8.230 nan 0.000 0.439 166 R N -1.230 119.265 120.500 -0.009 0.000 3.534 166 R HA 0.191 4.532 4.340 0.001 0.000 0.312 166 R C 1.519 177.811 176.300 -0.013 0.000 1.419 166 R CA -0.095 56.018 56.100 0.023 0.000 1.262 166 R CB -0.229 30.076 30.300 0.009 0.000 1.437 166 R HN -0.017 nan 8.270 nan 0.000 0.627 167 V N -0.819 119.051 119.914 -0.074 0.000 2.317 167 V HA -0.359 3.762 4.120 0.001 0.000 0.251 167 V C 1.833 177.856 176.094 -0.118 0.000 1.065 167 V CA 1.748 63.968 62.300 -0.134 0.000 1.049 167 V CB -0.615 31.035 31.823 -0.287 0.000 0.651 167 V HN 0.592 nan 8.190 nan 0.000 0.450 168 H N 0.338 119.457 119.070 0.082 0.000 2.495 168 H HA 0.012 4.569 4.556 0.001 0.000 0.287 168 H C 2.342 177.688 175.328 0.030 0.000 1.033 168 H CA 1.428 57.510 56.048 0.056 0.000 1.307 168 H CB 0.019 29.821 29.762 0.067 0.000 1.401 168 H HN 0.621 nan 8.280 nan 0.000 0.555 169 E N 0.895 121.161 120.200 0.109 0.000 2.072 169 E HA -0.124 4.227 4.350 0.001 0.000 0.191 169 E C 1.804 178.418 176.600 0.024 0.000 0.985 169 E CA 0.892 57.320 56.400 0.047 0.000 0.801 169 E CB 0.146 29.851 29.700 0.008 0.000 0.750 169 E HN 0.589 nan 8.360 nan 0.000 0.452 170 E N 0.178 120.387 120.200 0.014 0.000 2.140 170 E HA 0.055 4.405 4.350 0.001 0.000 0.191 170 E C 0.579 177.184 176.600 0.009 0.000 0.973 170 E CA 0.413 56.816 56.400 0.005 0.000 0.829 170 E CB 0.426 30.126 29.700 0.001 0.000 0.781 170 E HN 0.168 nan 8.360 nan 0.000 0.466 171 I N 2.768 123.346 120.570 0.014 0.000 2.523 171 I HA 0.256 4.427 4.170 0.001 0.000 0.281 171 I C -2.445 173.694 176.117 0.036 0.000 1.126 171 I CA -2.085 59.223 61.300 0.015 0.000 1.187 171 I CB 0.424 38.428 38.000 0.006 0.000 1.478 171 I HN -0.232 nan 8.210 nan 0.000 0.522 172 P HA -0.003 nan 4.420 nan 0.000 0.269 172 P C -0.012 177.285 177.300 -0.004 0.000 1.217 172 P CA 0.144 63.260 63.100 0.027 0.000 0.783 172 P CB 0.676 32.377 31.700 0.001 0.000 0.898 173 S N 1.004 116.693 115.700 -0.018 0.000 2.593 173 S HA 0.383 4.853 4.470 0.001 0.000 0.297 173 S C 1.102 175.593 174.600 -0.182 0.000 1.112 173 S CA -0.584 57.574 58.200 -0.071 0.000 1.043 173 S CB 1.343 64.538 63.200 -0.008 0.000 1.054 173 S HN 0.194 nan 8.310 nan 0.000 0.516 174 R N 0.818 121.087 120.500 -0.385 0.000 2.159 174 R HA -0.025 4.316 4.340 0.001 0.000 0.237 174 R C 0.683 176.738 176.300 -0.408 0.000 1.131 174 R CA 2.226 57.990 56.100 -0.559 0.000 0.982 174 R CB -0.189 29.356 30.300 -1.259 0.000 0.868 174 R HN 0.862 nan 8.270 nan 0.000 0.453 175 D N -3.518 116.708 120.400 -0.289 0.000 2.527 175 D HA 0.191 4.831 4.640 0.001 0.000 0.224 175 D C 0.919 177.202 176.300 -0.030 0.000 1.217 175 D CA 0.522 54.473 54.000 -0.082 0.000 0.819 175 D CB 0.244 41.096 40.800 0.087 0.000 1.061 175 D HN 0.170 nan 8.370 nan 0.000 0.515 176 G N 0.112 108.883 108.800 -0.048 0.000 2.205 176 G HA2 -0.273 3.688 3.960 0.001 0.000 0.261 176 G HA3 -0.273 3.688 3.960 0.001 0.000 0.261 176 G C 0.165 175.061 174.900 -0.007 0.000 0.980 176 G CA 0.283 45.371 45.100 -0.021 0.000 0.632 176 G HN 0.390 nan 8.290 nan 0.000 0.533 177 V N 2.239 122.158 119.914 0.008 0.000 2.432 177 V HA 0.331 4.451 4.120 0.001 0.000 0.271 177 V C 0.270 176.355 176.094 -0.015 0.000 1.046 177 V CA -1.028 61.284 62.300 0.020 0.000 0.945 177 V CB 1.139 32.993 31.823 0.052 0.000 0.992 177 V HN 0.345 nan 8.190 nan 0.000 0.471 178 N N 5.111 123.754 118.700 -0.095 0.000 2.475 178 N HA 0.238 4.978 4.740 0.001 0.000 0.267 178 N C 0.648 176.130 175.510 -0.048 0.000 1.169 178 N CA 0.041 52.894 53.050 -0.330 0.000 0.947 178 N CB 0.850 38.849 38.487 -0.814 0.000 1.061 178 N HN 0.527 nan 8.380 nan 0.000 0.466 179 R N 1.383 121.956 120.500 0.122 0.000 2.535 179 R HA 0.393 4.734 4.340 0.001 0.000 0.323 179 R C -0.223 176.223 176.300 0.244 0.000 0.979 179 R CA -0.027 56.175 56.100 0.172 0.000 1.120 179 R CB 0.486 30.752 30.300 -0.057 0.000 1.306 179 R HN 0.462 nan 8.270 nan 0.000 0.540 180 I N 0.471 121.259 120.570 0.363 0.000 2.418 180 I HA 0.447 4.617 4.170 0.001 0.000 0.287 180 I C 0.116 176.289 176.117 0.095 0.000 1.008 180 I CA -0.904 60.473 61.300 0.128 0.000 1.104 180 I CB 2.129 40.117 38.000 -0.020 0.000 1.264 180 I HN -0.033 nan 8.210 nan 0.000 0.438 181 G N 4.940 113.635 108.800 -0.174 0.000 2.498 181 G HA2 0.809 4.770 3.960 0.001 0.000 0.312 181 G HA3 0.809 4.770 3.960 0.001 0.000 0.312 181 G C -1.522 173.086 174.900 -0.487 0.000 1.230 181 G CA -0.429 44.594 45.100 -0.129 0.000 0.968 181 G HN 0.337 nan 8.290 nan 0.000 0.481 182 F N 0.204 120.203 119.950 0.081 0.000 2.539 182 F HA 0.440 4.968 4.527 0.001 0.000 0.318 182 F C -0.104 175.693 175.800 -0.004 0.000 1.135 182 F CA -0.749 57.247 58.000 -0.006 0.000 0.915 182 F CB 2.519 41.479 39.000 -0.065 0.000 1.176 182 F HN 0.153 nan 8.300 nan 0.000 0.440 183 L N 5.621 126.913 121.223 0.115 0.000 2.276 183 L HA 0.531 4.872 4.340 0.001 0.000 0.286 183 L C -1.070 175.793 176.870 -0.013 0.000 1.024 183 L CA -0.610 54.278 54.840 0.080 0.000 0.826 183 L CB 0.814 42.933 42.059 0.099 0.000 1.211 183 L HN 0.588 nan 8.230 nan 0.000 0.422 184 L N 5.657 126.809 121.223 -0.118 0.000 2.305 184 L HA 0.411 4.752 4.340 0.001 0.000 0.281 184 L C -0.375 176.467 176.870 -0.048 0.000 1.085 184 L CA -0.682 54.017 54.840 -0.234 0.000 0.813 184 L CB 1.490 43.222 42.059 -0.546 0.000 1.157 184 L HN 0.284 nan 8.230 nan 0.000 0.436 185 V N 2.666 122.583 119.914 0.004 0.000 2.350 185 V HA 0.694 4.814 4.120 0.001 0.000 0.285 185 V C 0.243 176.398 176.094 0.101 0.000 1.014 185 V CA -0.402 61.938 62.300 0.068 0.000 0.831 185 V CB 1.162 33.022 31.823 0.062 0.000 1.000 185 V HN 0.904 nan 8.190 nan 0.000 0.433 186 A N 3.334 126.243 122.820 0.149 0.000 2.350 186 A HA 0.753 5.074 4.320 0.001 0.000 0.318 186 A C 1.087 178.741 177.584 0.117 0.000 1.132 186 A CA 0.076 52.196 52.037 0.138 0.000 0.811 186 A CB 1.600 20.710 19.000 0.182 0.000 1.313 186 A HN 0.872 nan 8.150 nan 0.000 0.454 187 S N -0.122 115.617 115.700 0.065 0.000 2.402 187 S HA 0.095 4.565 4.470 0.001 0.000 0.229 187 S C 0.320 174.991 174.600 0.118 0.000 1.021 187 S CA 1.321 59.561 58.200 0.067 0.000 0.974 187 S CB -0.690 62.535 63.200 0.041 0.000 0.800 187 S HN 1.036 nan 8.310 nan 0.000 0.484 188 D N -2.224 118.255 120.400 0.132 0.000 2.769 188 D HA 0.166 4.806 4.640 0.001 0.000 0.309 188 D C 0.201 176.463 176.300 -0.063 0.000 1.315 188 D CA -0.386 53.710 54.000 0.159 0.000 0.780 188 D CB 0.910 41.769 40.800 0.098 0.000 1.312 188 D HN -0.163 nan 8.370 nan 0.000 0.437 189 V N 0.372 120.197 119.914 -0.147 0.000 2.720 189 V HA -0.143 3.978 4.120 0.001 0.000 0.256 189 V C 2.083 178.060 176.094 -0.194 0.000 1.082 189 V CA 1.817 63.865 62.300 -0.419 0.000 1.101 189 V CB -0.694 31.014 31.823 -0.192 0.000 0.693 189 V HN 0.566 nan 8.190 nan 0.000 0.479 190 R N 0.109 120.580 120.500 -0.048 0.000 2.139 190 R HA -0.197 4.144 4.340 0.001 0.000 0.243 190 R C 2.371 178.770 176.300 0.164 0.000 1.145 190 R CA 1.432 57.576 56.100 0.073 0.000 0.976 190 R CB -0.628 29.755 30.300 0.138 0.000 0.866 190 R HN 0.627 nan 8.270 nan 0.000 0.449 191 A N 1.239 124.089 122.820 0.049 0.000 1.948 191 A HA -0.169 4.152 4.320 0.001 0.000 0.220 191 A C 2.134 179.771 177.584 0.087 0.000 1.177 191 A CA 1.283 53.359 52.037 0.066 0.000 0.636 191 A CB -0.512 18.512 19.000 0.039 0.000 0.815 191 A HN 0.213 nan 8.150 nan 0.000 0.449 192 L N -0.285 120.925 121.223 -0.022 0.000 2.083 192 L HA -0.165 4.175 4.340 0.001 0.000 0.209 192 L C 2.823 179.699 176.870 0.009 0.000 1.083 192 L CA 1.483 56.312 54.840 -0.018 0.000 0.752 192 L CB -0.578 41.421 42.059 -0.100 0.000 0.899 192 L HN 0.372 nan 8.230 nan 0.000 0.433 193 S N -1.056 114.641 115.700 -0.004 0.000 2.368 193 S HA -0.179 4.291 4.470 0.001 0.000 0.225 193 S C 1.885 176.438 174.600 -0.080 0.000 1.030 193 S CA 1.160 59.322 58.200 -0.063 0.000 0.999 193 S CB -0.466 62.660 63.200 -0.123 0.000 0.844 193 S HN 0.316 nan 8.310 nan 0.000 0.459 194 Y N 1.654 121.933 120.300 -0.035 0.000 2.145 194 Y HA -0.036 4.514 4.550 0.001 0.000 0.286 194 Y C 2.587 178.456 175.900 -0.050 0.000 1.145 194 Y CA 1.168 59.241 58.100 -0.045 0.000 1.148 194 Y CB -0.508 37.912 38.460 -0.066 0.000 0.981 194 Y HN 0.145 nan 8.280 nan 0.000 0.507 195 M N -0.618 119.063 119.600 0.135 0.000 2.202 195 M HA -0.271 4.210 4.480 0.001 0.000 0.262 195 M C 2.087 178.413 176.300 0.044 0.000 1.063 195 M CA 1.682 57.032 55.300 0.082 0.000 1.097 195 M CB -0.285 32.389 32.600 0.124 0.000 1.382 195 M HN 0.181 nan 8.290 nan 0.000 0.413 196 R N -0.198 120.319 120.500 0.029 0.000 2.073 196 R HA -0.095 4.245 4.340 0.001 0.000 0.229 196 R C 2.034 178.335 176.300 0.000 0.000 1.120 196 R CA 1.165 57.274 56.100 0.014 0.000 0.967 196 R CB -0.260 30.039 30.300 -0.001 0.000 0.862 196 R HN 0.477 nan 8.270 nan 0.000 0.436 197 E N 0.539 120.725 120.200 -0.023 0.000 2.023 197 E HA -0.238 4.113 4.350 0.001 0.000 0.196 197 E C 1.914 178.504 176.600 -0.017 0.000 1.003 197 E CA 1.566 57.947 56.400 -0.032 0.000 0.809 197 E CB 0.137 29.799 29.700 -0.063 0.000 0.755 197 E HN 0.039 nan 8.360 nan 0.000 0.449 198 K N 0.037 120.423 120.400 -0.023 0.000 2.078 198 K HA 0.075 4.396 4.320 0.001 0.000 0.203 198 K C 0.838 177.335 176.600 -0.172 0.000 1.043 198 K CA 0.786 57.028 56.287 -0.074 0.000 0.960 198 K CB 0.442 32.898 32.500 -0.074 0.000 0.761 198 K HN 0.106 nan 8.250 nan 0.000 0.448 199 I N -1.936 118.536 120.570 -0.164 0.000 2.925 199 I HA 0.345 4.515 4.170 0.001 0.000 0.296 199 I C -2.308 173.853 176.117 0.073 0.000 1.413 199 I CA -1.700 59.415 61.300 -0.309 0.000 0.932 199 I CB 1.699 39.421 38.000 -0.464 0.000 1.873 199 I HN -0.094 nan 8.210 nan 0.000 0.619 200 P HA -0.140 nan 4.420 nan 0.000 0.219 200 P C 1.264 178.663 177.300 0.165 0.000 1.150 200 P CA 1.343 64.523 63.100 0.134 0.000 0.814 200 P CB 0.377 32.137 31.700 0.099 0.000 0.787 201 Q N -0.088 119.865 119.800 0.255 0.000 2.439 201 Q HA -0.075 4.266 4.340 0.001 0.000 0.211 201 Q C 2.023 178.108 176.000 0.143 0.000 0.978 201 Q CA 1.196 57.078 55.803 0.131 0.000 0.897 201 Q CB -0.363 28.333 28.738 -0.070 0.000 0.956 201 Q HN 0.286 nan 8.270 nan 0.000 0.483 202 V N -3.272 116.784 119.914 0.237 0.000 2.788 202 V HA 0.016 4.137 4.120 0.001 0.000 0.241 202 V C 2.013 178.158 176.094 0.084 0.000 1.083 202 V CA 0.859 63.246 62.300 0.145 0.000 1.103 202 V CB -0.116 31.803 31.823 0.159 0.000 0.800 202 V HN 0.137 nan 8.190 nan 0.000 0.476 203 E N 2.657 122.911 120.200 0.090 0.000 2.077 203 E HA -0.223 4.128 4.350 0.001 0.000 0.193 203 E C 2.125 178.752 176.600 0.044 0.000 0.989 203 E CA 2.073 58.509 56.400 0.060 0.000 0.800 203 E CB -0.300 29.438 29.700 0.063 0.000 0.746 203 E HN 0.850 nan 8.360 nan 0.000 0.452 204 S N -0.490 115.239 115.700 0.048 0.000 2.660 204 S HA -0.066 4.404 4.470 0.001 0.000 0.228 204 S C 1.431 176.048 174.600 0.029 0.000 0.966 204 S CA 0.639 58.861 58.200 0.036 0.000 0.940 204 S CB 0.104 63.325 63.200 0.036 0.000 0.773 204 S HN 0.223 nan 8.310 nan 0.000 0.535 205 Q N 0.122 119.938 119.800 0.027 0.000 2.086 205 Q HA 0.464 4.805 4.340 0.001 0.000 0.220 205 Q C -0.533 175.468 176.000 0.002 0.000 0.792 205 Q CA -0.259 55.556 55.803 0.019 0.000 1.062 205 Q CB 0.329 29.084 28.738 0.028 0.000 1.198 205 Q HN 0.598 nan 8.270 nan 0.000 0.466 206 I N 0.604 121.168 120.570 -0.009 0.000 2.556 206 I HA 0.104 4.274 4.170 0.001 0.000 0.284 206 I C 1.477 177.556 176.117 -0.063 0.000 1.114 206 I CA 0.270 61.539 61.300 -0.053 0.000 1.418 206 I CB 1.370 39.337 38.000 -0.055 0.000 1.394 206 I HN 0.390 nan 8.210 nan 0.000 0.552 207 G N 6.964 115.691 108.800 -0.122 0.000 2.404 207 G HA2 -0.119 3.842 3.960 0.001 0.000 0.215 207 G HA3 -0.119 3.842 3.960 0.001 0.000 0.215 207 G C 0.214 175.112 174.900 -0.004 0.000 1.174 207 G CA 0.571 45.620 45.100 -0.085 0.000 0.780 207 G HN 0.597 nan 8.290 nan 0.000 0.537 208 F N -1.044 118.882 119.950 -0.040 0.000 2.574 208 F HA 0.776 5.303 4.527 0.001 0.000 0.313 208 F C -1.042 174.770 175.800 0.019 0.000 1.130 208 F CA -2.354 55.634 58.000 -0.021 0.000 0.936 208 F CB 1.419 40.389 39.000 -0.051 0.000 1.219 208 F HN -0.260 nan 8.300 nan 0.000 0.445 209 K N 4.333 124.897 120.400 0.273 0.000 2.339 209 K HA 0.611 4.932 4.320 0.001 0.000 0.264 209 K C -1.719 175.045 176.600 0.274 0.000 0.986 209 K CA -0.852 55.600 56.287 0.275 0.000 0.866 209 K CB 2.160 34.829 32.500 0.283 0.000 1.103 209 K HN 0.708 nan 8.250 nan 0.000 0.441 210 L N 3.767 125.109 121.223 0.199 0.000 2.319 210 L HA 0.245 4.586 4.340 0.001 0.000 0.281 210 L C -0.689 175.960 176.870 -0.370 0.000 1.005 210 L CA -0.415 54.428 54.840 0.003 0.000 0.828 210 L CB 0.788 42.892 42.059 0.075 0.000 1.227 210 L HN 0.628 nan 8.230 nan 0.000 0.415 211 H N 5.512 124.276 119.070 -0.509 0.000 2.580 211 H HA 0.298 4.855 4.556 0.001 0.000 0.322 211 H C -1.405 173.738 175.328 -0.307 0.000 1.082 211 H CA -0.557 55.107 56.048 -0.640 0.000 1.383 211 H CB 1.349 30.890 29.762 -0.368 0.000 1.450 211 H HN 0.480 nan 8.280 nan 0.000 0.505 212 L N 8.671 129.337 121.223 -0.929 0.000 2.282 212 L HA 0.339 4.679 4.340 0.001 0.000 0.288 212 L C -2.102 174.296 176.870 -0.787 0.000 1.033 212 L CA -2.209 52.250 54.840 -0.636 0.000 0.807 212 L CB 1.317 43.127 42.059 -0.415 0.000 1.209 212 L HN 0.655 nan 8.230 nan 0.000 0.423 213 P HA 0.302 nan 4.420 nan 0.000 0.276 213 P C -0.872 176.273 177.300 -0.258 0.000 1.244 213 P CA -0.648 62.346 63.100 -0.177 0.000 0.801 213 P CB 0.664 32.357 31.700 -0.012 0.000 1.006 214 A N 1.775 124.502 122.820 -0.155 0.000 2.448 214 A HA 0.149 4.470 4.320 0.001 0.000 0.239 214 A C -0.393 177.119 177.584 -0.119 0.000 1.080 214 A CA 0.036 51.969 52.037 -0.173 0.000 0.779 214 A CB -0.713 18.265 19.000 -0.036 0.000 1.026 214 A HN 0.503 nan 8.150 nan 0.000 0.499 215 Y N 1.395 121.703 120.300 0.012 0.000 2.359 215 Y HA 0.189 4.739 4.550 0.001 0.000 0.330 215 Y C 1.041 176.966 175.900 0.042 0.000 1.143 215 Y CA -0.343 57.769 58.100 0.018 0.000 1.318 215 Y CB 0.902 39.370 38.460 0.013 0.000 1.234 215 Y HN 0.508 nan 8.280 nan 0.000 0.522 216 K N 0.880 121.419 120.400 0.231 0.000 2.102 216 K HA 0.121 4.441 4.320 0.001 0.000 0.244 216 K C 1.166 177.850 176.600 0.140 0.000 1.021 216 K CA 0.127 56.504 56.287 0.150 0.000 0.913 216 K CB 0.918 33.484 32.500 0.110 0.000 1.062 216 K HN 0.768 nan 8.250 nan 0.000 0.485 217 S N 0.881 116.648 115.700 0.112 0.000 2.370 217 S HA -0.186 4.285 4.470 0.001 0.000 0.226 217 S C 1.786 176.456 174.600 0.116 0.000 1.033 217 S CA 1.014 59.280 58.200 0.109 0.000 1.011 217 S CB -0.192 63.058 63.200 0.083 0.000 0.852 217 S HN 0.481 nan 8.310 nan 0.000 0.457 218 R N 1.199 121.756 120.500 0.094 0.000 2.096 218 R HA -0.011 4.330 4.340 0.001 0.000 0.235 218 R C 2.528 178.894 176.300 0.109 0.000 1.127 218 R CA 1.595 57.756 56.100 0.101 0.000 0.968 218 R CB -0.308 30.029 30.300 0.061 0.000 0.861 218 R HN 0.649 nan 8.270 nan 0.000 0.440 219 E N 0.590 120.831 120.200 0.068 0.000 2.072 219 E HA -0.143 4.208 4.350 0.001 0.000 0.191 219 E C 2.102 178.618 176.600 -0.139 0.000 0.985 219 E CA 0.894 57.286 56.400 -0.013 0.000 0.801 219 E CB -0.044 29.693 29.700 0.062 0.000 0.750 219 E HN 0.257 nan 8.360 nan 0.000 0.452 220 L N 0.105 121.281 121.223 -0.078 0.000 2.046 220 L HA -0.217 4.124 4.340 0.001 0.000 0.208 220 L C 2.507 179.336 176.870 -0.069 0.000 1.077 220 L CA 1.293 56.073 54.840 -0.099 0.000 0.747 220 L CB -0.538 41.544 42.059 0.040 0.000 0.896 220 L HN 0.222 nan 8.230 nan 0.000 0.432 221 Y N 1.107 121.379 120.300 -0.047 0.000 2.081 221 Y HA -0.373 4.178 4.550 0.001 0.000 0.280 221 Y C 2.738 178.596 175.900 -0.071 0.000 1.163 221 Y CA 2.484 60.562 58.100 -0.037 0.000 1.135 221 Y CB -0.482 37.974 38.460 -0.007 0.000 0.970 221 Y HN 0.076 nan 8.280 nan 0.000 0.498 222 T N 1.131 115.656 114.554 -0.049 0.000 2.699 222 T HA -0.238 4.112 4.350 0.001 0.000 0.268 222 T C 1.914 176.461 174.700 -0.254 0.000 1.036 222 T CA 2.070 64.095 62.100 -0.124 0.000 1.147 222 T CB -0.476 68.367 68.868 -0.042 0.000 0.862 222 T HN 0.375 nan 8.240 nan 0.000 0.446 223 I N 0.477 120.881 120.570 -0.276 0.000 2.202 223 I HA -0.111 4.060 4.170 0.001 0.000 0.242 223 I C 2.277 178.216 176.117 -0.297 0.000 1.091 223 I CA 1.120 62.245 61.300 -0.293 0.000 1.368 223 I CB -0.383 37.407 38.000 -0.350 0.000 1.058 223 I HN 0.194 nan 8.210 nan 0.000 0.410 224 L N 0.344 121.381 121.223 -0.310 0.000 2.042 224 L HA -0.248 4.092 4.340 0.001 0.000 0.210 224 L C 2.615 179.191 176.870 -0.490 0.000 1.076 224 L CA 1.580 56.224 54.840 -0.327 0.000 0.749 224 L CB -0.712 41.185 42.059 -0.270 0.000 0.893 224 L HN 0.337 nan 8.230 nan 0.000 0.432 225 E N 0.061 119.875 120.200 -0.643 0.000 2.110 225 E HA -0.301 4.050 4.350 0.001 0.000 0.193 225 E C 2.203 178.522 176.600 -0.468 0.000 0.988 225 E CA 1.350 57.334 56.400 -0.694 0.000 0.804 225 E CB 0.048 29.381 29.700 -0.612 0.000 0.745 225 E HN 0.494 nan 8.360 nan 0.000 0.458 226 Q N -0.151 119.448 119.800 -0.334 0.000 2.083 226 Q HA -0.131 4.210 4.340 0.001 0.000 0.198 226 Q C 2.113 177.958 176.000 -0.258 0.000 0.969 226 Q CA 0.670 56.337 55.803 -0.226 0.000 0.838 226 Q CB 0.125 28.757 28.738 -0.176 0.000 0.900 226 Q HN 0.076 nan 8.270 nan 0.000 0.436 227 R N 0.219 120.517 120.500 -0.337 0.000 2.120 227 R HA -0.072 4.269 4.340 0.001 0.000 0.234 227 R C 2.054 178.091 176.300 -0.438 0.000 1.123 227 R CA 1.175 56.992 56.100 -0.472 0.000 0.975 227 R CB -0.954 28.990 30.300 -0.592 0.000 0.866 227 R HN 0.385 nan 8.270 nan 0.000 0.446 228 A N 1.250 123.782 122.820 -0.480 0.000 1.873 228 A HA -0.155 4.165 4.320 0.001 0.000 0.215 228 A C 2.079 179.483 177.584 -0.299 0.000 1.186 228 A CA 1.311 52.962 52.037 -0.644 0.000 0.616 228 A CB -0.375 17.586 19.000 -1.732 0.000 0.823 228 A HN 0.339 nan 8.150 nan 0.000 0.442 229 E N -0.211 119.878 120.200 -0.184 0.000 2.058 229 E HA -0.191 4.160 4.350 0.001 0.000 0.194 229 E C 1.938 178.568 176.600 0.049 0.000 0.997 229 E CA 1.485 57.937 56.400 0.088 0.000 0.801 229 E CB -0.300 29.442 29.700 0.071 0.000 0.746 229 E HN 0.616 nan 8.360 nan 0.000 0.450 230 L N -0.740 120.458 121.223 -0.043 0.000 2.179 230 L HA 0.004 4.345 4.340 0.001 0.000 0.208 230 L C 2.245 179.082 176.870 -0.054 0.000 1.096 230 L CA 1.037 55.850 54.840 -0.045 0.000 0.779 230 L CB -0.017 41.999 42.059 -0.071 0.000 0.922 230 L HN 0.185 nan 8.230 nan 0.000 0.443 231 G N -1.157 107.603 108.800 -0.067 0.000 3.062 231 G HA2 0.356 4.316 3.960 0.001 0.000 0.228 231 G HA3 0.356 4.316 3.960 0.001 0.000 0.228 231 G C 0.392 175.477 174.900 0.308 0.000 1.094 231 G CA -0.188 44.966 45.100 0.090 0.000 0.782 231 G HN 0.025 nan 8.290 nan 0.000 0.541 232 L N 0.140 121.486 121.223 0.204 0.000 2.333 232 L HA 0.573 4.913 4.340 0.001 0.000 0.263 232 L C -0.064 176.928 176.870 0.203 0.000 1.014 232 L CA -1.301 53.645 54.840 0.177 0.000 0.820 232 L CB 2.013 44.150 42.059 0.130 0.000 1.352 232 L HN -0.136 nan 8.230 nan 0.000 0.421 233 R N 0.632 121.223 120.500 0.152 0.000 2.543 233 R HA 0.030 4.370 4.340 0.001 0.000 0.277 233 R C 0.083 176.471 176.300 0.146 0.000 1.074 233 R CA -0.556 55.620 56.100 0.127 0.000 1.076 233 R CB 0.745 31.083 30.300 0.063 0.000 0.993 233 R HN 0.584 nan 8.270 nan 0.000 0.459 234 D N 1.030 121.478 120.400 0.080 0.000 2.172 234 D HA -0.129 4.511 4.640 0.001 0.000 0.196 234 D C 0.963 177.140 176.300 -0.205 0.000 0.999 234 D CA 1.813 55.795 54.000 -0.031 0.000 0.856 234 D CB 0.004 40.782 40.800 -0.037 0.000 0.934 234 D HN 0.546 nan 8.370 nan 0.000 0.453 235 T N -0.459 114.028 114.554 -0.113 0.000 3.235 235 T HA 0.160 4.511 4.350 0.001 0.000 0.251 235 T C 1.628 176.271 174.700 -0.096 0.000 1.060 235 T CA -0.138 61.884 62.100 -0.130 0.000 0.949 235 T CB 0.603 69.427 68.868 -0.073 0.000 1.020 235 T HN -0.053 nan 8.240 nan 0.000 0.564 236 V N 0.969 120.849 119.914 -0.058 0.000 3.431 236 V HA 0.259 4.380 4.120 0.001 0.000 0.253 236 V C 0.314 176.463 176.094 0.091 0.000 1.184 236 V CA 0.168 62.478 62.300 0.017 0.000 1.104 236 V CB 0.137 31.990 31.823 0.051 0.000 0.799 236 V HN 0.720 nan 8.190 nan 0.000 0.462 237 W N -0.220 121.087 121.300 0.012 0.000 2.962 237 W HA 0.783 5.444 4.660 0.001 0.000 0.341 237 W C -0.946 175.699 176.519 0.209 0.000 1.155 237 W CA -0.845 56.570 57.345 0.117 0.000 1.165 237 W CB 1.410 30.905 29.460 0.057 0.000 1.435 237 W HN -0.140 nan 8.180 nan 0.000 0.546 238 E N 0.840 121.329 120.200 0.483 0.000 2.369 238 E HA 0.287 4.637 4.350 0.001 0.000 0.270 238 E C -2.025 174.820 176.600 0.408 0.000 0.909 238 E CA -1.996 54.464 56.400 0.100 0.000 0.775 238 E CB 2.742 32.393 29.700 -0.082 0.000 1.270 238 E HN -0.050 nan 8.360 nan 0.000 0.445 239 P HA -0.193 nan 4.420 nan 0.000 0.217 239 P C 1.205 178.676 177.300 0.286 0.000 1.148 239 P CA 1.555 64.934 63.100 0.465 0.000 0.828 239 P CB 0.125 31.994 31.700 0.281 0.000 0.783 240 R N -1.147 119.392 120.500 0.065 0.000 2.096 240 R HA -0.161 4.180 4.340 0.001 0.000 0.235 240 R C 1.942 178.258 176.300 0.027 0.000 1.127 240 R CA 1.369 57.453 56.100 -0.028 0.000 0.968 240 R CB -1.656 28.550 30.300 -0.157 0.000 0.861 240 R HN 0.315 nan 8.270 nan 0.000 0.440 241 H N 1.357 120.523 119.070 0.160 0.000 2.353 241 H HA -0.008 4.548 4.556 0.001 0.000 0.300 241 H C 2.331 177.743 175.328 0.139 0.000 1.090 241 H CA 1.580 57.708 56.048 0.135 0.000 1.327 241 H CB -0.126 29.728 29.762 0.152 0.000 1.383 241 H HN 0.227 nan 8.280 nan 0.000 0.508 242 L N 0.543 121.961 121.223 0.325 0.000 2.109 242 L HA -0.100 4.241 4.340 0.001 0.000 0.207 242 L C 2.401 179.413 176.870 0.237 0.000 1.086 242 L CA 0.899 55.870 54.840 0.218 0.000 0.760 242 L CB -0.422 41.700 42.059 0.104 0.000 0.910 242 L HN 0.187 nan 8.230 nan 0.000 0.437 243 E N 0.640 121.009 120.200 0.281 0.000 2.171 243 E HA -0.233 4.117 4.350 0.001 0.000 0.197 243 E C 2.312 178.971 176.600 0.097 0.000 0.997 243 E CA 1.111 57.621 56.400 0.183 0.000 0.810 243 E CB -0.242 29.506 29.700 0.080 0.000 0.738 243 E HN 0.479 nan 8.360 nan 0.000 0.467 244 L N 0.377 121.651 121.223 0.084 0.000 2.127 244 L HA -0.218 4.122 4.340 0.001 0.000 0.211 244 L C 2.295 179.156 176.870 -0.015 0.000 1.089 244 L CA 1.014 55.873 54.840 0.033 0.000 0.757 244 L CB -0.330 41.760 42.059 0.052 0.000 0.899 244 L HN 0.173 nan 8.230 nan 0.000 0.434 245 I N -0.998 119.587 120.570 0.024 0.000 2.339 245 I HA -0.182 3.989 4.170 0.001 0.000 0.245 245 I C 2.658 178.775 176.117 0.000 0.000 1.096 245 I CA 1.209 62.503 61.300 -0.009 0.000 1.408 245 I CB -0.211 37.861 38.000 0.120 0.000 1.092 245 I HN 0.242 nan 8.210 nan 0.000 0.423 246 S N -0.095 115.658 115.700 0.088 0.000 2.406 246 S HA -0.125 4.346 4.470 0.001 0.000 0.228 246 S C 1.543 176.188 174.600 0.076 0.000 1.020 246 S CA 0.903 59.178 58.200 0.124 0.000 0.965 246 S CB -0.398 62.906 63.200 0.172 0.000 0.798 246 S HN 0.317 nan 8.310 nan 0.000 0.488 247 D N 1.219 121.638 120.400 0.032 0.000 2.264 247 D HA 0.044 4.685 4.640 0.001 0.000 0.208 247 D C 1.875 178.157 176.300 -0.030 0.000 0.966 247 D CA 0.521 54.526 54.000 0.007 0.000 0.864 247 D CB -0.089 40.709 40.800 -0.003 0.000 0.933 247 D HN 0.347 nan 8.370 nan 0.000 0.499 248 V N -0.486 119.357 119.914 -0.119 0.000 2.492 248 V HA -0.104 4.017 4.120 0.001 0.000 0.241 248 V C 1.678 177.678 176.094 -0.158 0.000 1.041 248 V CA 0.853 63.020 62.300 -0.222 0.000 1.057 248 V CB -0.360 31.195 31.823 -0.447 0.000 0.711 248 V HN 0.211 nan 8.190 nan 0.000 0.468 249 Y N 0.792 121.127 120.300 0.059 0.000 2.519 249 Y HA 0.277 4.828 4.550 0.001 0.000 0.287 249 Y C 1.795 177.740 175.900 0.076 0.000 1.128 249 Y CA -0.033 58.106 58.100 0.065 0.000 1.282 249 Y CB -0.198 38.302 38.460 0.065 0.000 1.027 249 Y HN 0.340 nan 8.280 nan 0.000 0.551 250 G N 1.049 109.971 108.800 0.203 0.000 2.441 250 G HA2 0.034 3.994 3.960 0.001 0.000 0.243 250 G HA3 0.034 3.994 3.960 0.001 0.000 0.243 250 G C 0.624 175.605 174.900 0.135 0.000 1.281 250 G CA -0.165 45.031 45.100 0.161 0.000 0.854 250 G HN 0.423 nan 8.290 nan 0.000 0.560 251 E N 0.469 120.745 120.200 0.127 0.000 2.299 251 E HA -0.117 4.234 4.350 0.001 0.000 0.193 251 E C 1.489 178.139 176.600 0.083 0.000 0.998 251 E CA 1.409 57.872 56.400 0.104 0.000 0.851 251 E CB 0.025 29.781 29.700 0.094 0.000 0.795 251 E HN 0.491 nan 8.360 nan 0.000 0.492 252 D N 0.674 121.121 120.400 0.079 0.000 2.371 252 D HA -0.127 4.513 4.640 0.001 0.000 0.221 252 D C 0.711 177.044 176.300 0.055 0.000 0.986 252 D CA 0.528 54.566 54.000 0.062 0.000 0.899 252 D CB -0.025 40.810 40.800 0.058 0.000 0.902 252 D HN 0.109 nan 8.370 nan 0.000 0.530 253 K N -0.237 120.199 120.400 0.060 0.000 2.537 253 K HA 0.328 4.648 4.320 0.001 0.000 0.206 253 K C 1.029 177.659 176.600 0.050 0.000 1.041 253 K CA 0.198 56.514 56.287 0.047 0.000 1.090 253 K CB 1.093 33.617 32.500 0.039 0.000 0.833 253 K HN 0.243 nan 8.250 nan 0.000 0.493 254 G N 0.839 109.676 108.800 0.061 0.000 2.157 254 G HA2 -0.230 3.731 3.960 0.001 0.000 0.248 254 G HA3 -0.230 3.731 3.960 0.001 0.000 0.248 254 G C 0.455 175.405 174.900 0.083 0.000 0.979 254 G CA -0.003 45.135 45.100 0.064 0.000 0.650 254 G HN 0.513 nan 8.290 nan 0.000 0.529 255 G N -0.993 107.871 108.800 0.106 0.000 2.522 255 G HA2 0.502 4.462 3.960 0.001 0.000 0.304 255 G HA3 0.502 4.462 3.960 0.001 0.000 0.304 255 G C 0.561 175.548 174.900 0.145 0.000 1.210 255 G CA 0.488 45.682 45.100 0.156 0.000 0.960 255 G HN -0.015 nan 8.290 nan 0.000 0.497 256 D N -0.153 120.344 120.400 0.162 0.000 2.190 256 D HA -0.044 4.597 4.640 0.001 0.000 0.200 256 D C 2.246 178.605 176.300 0.099 0.000 0.992 256 D CA 1.952 56.019 54.000 0.111 0.000 0.854 256 D CB -0.285 40.558 40.800 0.072 0.000 0.936 256 D HN 0.859 nan 8.370 nan 0.000 0.462 257 G N 0.255 109.140 108.800 0.142 0.000 2.203 257 G HA2 -0.296 3.665 3.960 0.001 0.000 0.263 257 G HA3 -0.296 3.665 3.960 0.001 0.000 0.263 257 G C 0.329 175.329 174.900 0.166 0.000 1.012 257 G CA 0.760 45.958 45.100 0.162 0.000 0.749 257 G HN 0.495 nan 8.290 nan 0.000 0.512 258 S N -0.074 115.683 115.700 0.095 0.000 2.416 258 S HA 0.662 5.133 4.470 0.001 0.000 0.287 258 S C 1.735 176.377 174.600 0.070 0.000 1.139 258 S CA 0.621 58.858 58.200 0.061 0.000 1.058 258 S CB 0.888 64.059 63.200 -0.048 0.000 0.967 258 S HN 1.495 nan 8.310 nan 0.000 0.495 259 A N 5.805 128.737 122.820 0.186 0.000 1.940 259 A HA -0.116 4.205 4.320 0.001 0.000 0.219 259 A C 2.116 179.703 177.584 0.005 0.000 1.176 259 A CA 1.750 53.821 52.037 0.058 0.000 0.631 259 A CB -0.563 18.459 19.000 0.036 0.000 0.814 259 A HN 0.932 nan 8.150 nan 0.000 0.446 260 R N -0.462 120.047 120.500 0.015 0.000 2.080 260 R HA -0.133 4.208 4.340 0.001 0.000 0.236 260 R C 2.366 178.637 176.300 -0.048 0.000 1.137 260 R CA 1.736 57.836 56.100 0.000 0.000 0.943 260 R CB -0.344 29.962 30.300 0.011 0.000 0.846 260 R HN 0.485 nan 8.270 nan 0.000 0.431 261 R N -0.051 120.364 120.500 -0.141 0.000 2.083 261 R HA -0.123 4.218 4.340 0.001 0.000 0.237 261 R C 2.399 178.524 176.300 -0.292 0.000 1.137 261 R CA 1.535 57.450 56.100 -0.309 0.000 0.951 261 R CB -0.473 29.458 30.300 -0.615 0.000 0.851 261 R HN 0.378 nan 8.270 nan 0.000 0.434 262 A N 1.027 123.725 122.820 -0.202 0.000 1.908 262 A HA -0.173 4.148 4.320 0.001 0.000 0.218 262 A C 2.132 179.776 177.584 0.099 0.000 1.181 262 A CA 1.397 53.486 52.037 0.087 0.000 0.627 262 A CB -0.457 18.619 19.000 0.125 0.000 0.818 262 A HN 0.218 nan 8.150 nan 0.000 0.445 263 I N -0.850 119.754 120.570 0.057 0.000 2.286 263 I HA -0.158 4.012 4.170 0.001 0.000 0.245 263 I C 2.328 178.541 176.117 0.161 0.000 1.104 263 I CA 0.712 62.084 61.300 0.121 0.000 1.397 263 I CB -0.182 37.869 38.000 0.085 0.000 1.072 263 I HN 0.144 nan 8.210 nan 0.000 0.417 264 V N 1.131 121.100 119.914 0.091 0.000 2.287 264 V HA -0.344 3.777 4.120 0.001 0.000 0.248 264 V C 2.762 178.899 176.094 0.072 0.000 1.053 264 V CA 2.091 64.434 62.300 0.072 0.000 1.027 264 V CB -1.078 30.765 31.823 0.033 0.000 0.646 264 V HN 0.506 nan 8.190 nan 0.000 0.447 265 A N -0.136 122.744 122.820 0.099 0.000 1.892 265 A HA -0.261 4.059 4.320 0.001 0.000 0.218 265 A C 2.189 179.819 177.584 0.076 0.000 1.188 265 A CA 2.437 54.551 52.037 0.129 0.000 0.631 265 A CB -0.668 18.490 19.000 0.264 0.000 0.822 265 A HN 0.479 nan 8.150 nan 0.000 0.447 266 L N -0.226 121.046 121.223 0.081 0.000 2.056 266 L HA -0.099 4.242 4.340 0.001 0.000 0.207 266 L C 2.248 179.053 176.870 -0.109 0.000 1.078 266 L CA 2.572 57.426 54.840 0.024 0.000 0.749 266 L CB -0.611 41.507 42.059 0.099 0.000 0.901 266 L HN 0.443 nan 8.230 nan 0.000 0.433 267 K N -0.644 119.685 120.400 -0.119 0.000 2.020 267 K HA -0.240 4.081 4.320 0.001 0.000 0.212 267 K C 2.077 178.632 176.600 -0.076 0.000 1.050 267 K CA 2.430 58.581 56.287 -0.228 0.000 0.929 267 K CB -0.256 32.186 32.500 -0.097 0.000 0.714 267 K HN 0.360 nan 8.250 nan 0.000 0.443 268 M N 0.168 119.753 119.600 -0.025 0.000 2.108 268 M HA -0.175 4.305 4.480 0.001 0.000 0.261 268 M C 2.327 178.614 176.300 -0.023 0.000 1.066 268 M CA 1.753 57.050 55.300 -0.005 0.000 1.107 268 M CB -0.299 32.310 32.600 0.015 0.000 1.356 268 M HN 0.281 nan 8.290 nan 0.000 0.406 269 A N -0.455 122.340 122.820 -0.042 0.000 1.908 269 A HA -0.204 4.116 4.320 0.001 0.000 0.218 269 A C 2.277 179.793 177.584 -0.114 0.000 1.181 269 A CA 1.873 53.873 52.037 -0.062 0.000 0.627 269 A CB -1.350 17.614 19.000 -0.060 0.000 0.818 269 A HN 0.623 nan 8.150 nan 0.000 0.445 270 C N 0.139 119.328 119.300 -0.185 0.000 2.440 270 C HA -0.068 4.392 4.460 0.001 0.000 0.278 270 C C 2.427 177.327 174.990 -0.151 0.000 1.295 270 C CA 1.136 59.959 59.018 -0.326 0.000 1.738 270 C CB -1.209 26.087 27.740 -0.741 0.000 1.987 270 C HN 0.837 nan 8.230 nan 0.000 0.492 271 E N -0.085 120.130 120.200 0.026 0.000 2.479 271 E HA 0.051 4.401 4.350 0.001 0.000 0.193 271 E C 1.609 178.221 176.600 0.020 0.000 1.049 271 E CA 0.290 56.743 56.400 0.088 0.000 0.870 271 E CB -0.188 29.586 29.700 0.123 0.000 0.944 271 E HN 0.602 nan 8.360 nan 0.000 0.492 272 M N 0.956 120.549 119.600 -0.012 0.000 2.287 272 M HA 0.094 4.574 4.480 0.001 0.000 0.266 272 M C 2.395 178.680 176.300 -0.025 0.000 1.079 272 M CA 1.287 56.578 55.300 -0.014 0.000 1.146 272 M CB 0.079 32.669 32.600 -0.017 0.000 1.374 272 M HN 0.298 nan 8.290 nan 0.000 0.435 273 A N 0.300 123.090 122.820 -0.051 0.000 1.845 273 A HA -0.216 4.105 4.320 0.001 0.000 0.215 273 A C 1.904 179.462 177.584 -0.044 0.000 1.195 273 A CA 2.054 54.053 52.037 -0.062 0.000 0.616 273 A CB -0.882 18.053 19.000 -0.109 0.000 0.832 273 A HN 0.476 nan 8.150 nan 0.000 0.443 274 E N -0.285 119.891 120.200 -0.040 0.000 2.086 274 E HA -0.244 4.106 4.350 0.001 0.000 0.205 274 E C 2.078 178.680 176.600 0.003 0.000 1.027 274 E CA 1.732 58.129 56.400 -0.006 0.000 0.830 274 E CB -0.351 29.377 29.700 0.047 0.000 0.751 274 E HN 0.554 nan 8.360 nan 0.000 0.456 275 A N -0.137 122.686 122.820 0.006 0.000 2.084 275 A HA -0.187 4.134 4.320 0.001 0.000 0.221 275 A C 1.879 179.462 177.584 -0.001 0.000 1.161 275 A CA 1.729 53.770 52.037 0.005 0.000 0.653 275 A CB -0.401 18.602 19.000 0.005 0.000 0.802 275 A HN 0.328 nan 8.150 nan 0.000 0.457 276 M N -0.963 118.633 119.600 -0.007 0.000 2.475 276 M HA 0.258 4.738 4.480 0.001 0.000 0.261 276 M C 1.031 177.326 176.300 -0.008 0.000 1.177 276 M CA 0.632 55.927 55.300 -0.008 0.000 0.979 276 M CB 0.400 32.993 32.600 -0.011 0.000 1.482 276 M HN 0.475 nan 8.290 nan 0.000 0.484 277 G N 2.029 110.825 108.800 -0.007 0.000 2.390 277 G HA2 -0.293 3.667 3.960 0.001 0.000 0.299 277 G HA3 -0.293 3.667 3.960 0.001 0.000 0.299 277 G C -0.044 174.849 174.900 -0.012 0.000 1.002 277 G CA 0.342 45.438 45.100 -0.007 0.000 0.979 277 G HN 0.466 nan 8.290 nan 0.000 0.513 278 R N -0.156 120.331 120.500 -0.021 0.000 2.536 278 R HA 0.521 4.862 4.340 0.001 0.000 0.279 278 R C 1.386 177.666 176.300 -0.034 0.000 1.001 278 R CA -0.205 55.878 56.100 -0.027 0.000 1.027 278 R CB 0.543 30.823 30.300 -0.034 0.000 1.096 278 R HN 0.286 nan 8.270 nan 0.000 0.502 279 D N -0.135 120.247 120.400 -0.030 0.000 2.323 279 D HA 0.046 4.687 4.640 0.001 0.000 0.209 279 D C -0.478 175.796 176.300 -0.043 0.000 0.973 279 D CA 0.394 54.376 54.000 -0.030 0.000 0.874 279 D CB 0.253 41.041 40.800 -0.020 0.000 0.930 279 D HN 0.458 nan 8.370 nan 0.000 0.521 280 S N -1.560 114.104 115.700 -0.060 0.000 2.611 280 S HA 0.304 4.775 4.470 0.001 0.000 0.270 280 S C -0.744 173.777 174.600 -0.131 0.000 1.131 280 S CA -1.256 56.897 58.200 -0.078 0.000 0.826 280 S CB 0.478 63.655 63.200 -0.038 0.000 1.095 280 S HN 0.093 nan 8.310 nan 0.000 0.461 281 L N 2.284 123.366 121.223 -0.234 0.000 2.482 281 L HA 0.458 4.798 4.340 0.001 0.000 0.273 281 L C 0.937 177.620 176.870 -0.312 0.000 1.228 281 L CA 0.128 54.744 54.840 -0.373 0.000 0.827 281 L CB 0.628 42.305 42.059 -0.637 0.000 1.099 281 L HN 0.990 nan 8.230 nan 0.000 0.494 282 S N -0.343 115.256 115.700 -0.169 0.000 2.648 282 S HA 0.309 4.780 4.470 0.001 0.000 0.305 282 S C 0.451 175.118 174.600 0.112 0.000 1.094 282 S CA -0.896 57.322 58.200 0.031 0.000 0.983 282 S CB 1.851 65.067 63.200 0.027 0.000 1.101 282 S HN 0.650 nan 8.310 nan 0.000 0.514 283 E N 0.604 120.941 120.200 0.228 0.000 2.110 283 E HA -0.164 4.186 4.350 0.001 0.000 0.193 283 E C 0.779 177.432 176.600 0.089 0.000 0.988 283 E CA 1.491 58.001 56.400 0.184 0.000 0.804 283 E CB -0.169 29.600 29.700 0.114 0.000 0.745 283 E HN 0.666 nan 8.360 nan 0.000 0.458 284 D N 0.755 121.190 120.400 0.059 0.000 2.117 284 D HA -0.133 4.507 4.640 0.001 0.000 0.197 284 D C 2.057 178.371 176.300 0.023 0.000 0.987 284 D CA 0.786 54.805 54.000 0.033 0.000 0.829 284 D CB -0.226 40.588 40.800 0.023 0.000 0.961 284 D HN 0.147 nan 8.370 nan 0.000 0.460 285 L N 0.137 121.368 121.223 0.013 0.000 2.093 285 L HA -0.115 4.226 4.340 0.001 0.000 0.208 285 L C 2.455 179.325 176.870 0.000 0.000 1.085 285 L CA 0.480 55.317 54.840 -0.005 0.000 0.755 285 L CB -0.215 41.824 42.059 -0.033 0.000 0.904 285 L HN -0.044 nan 8.230 nan 0.000 0.435 286 V N -0.174 119.748 119.914 0.014 0.000 2.307 286 V HA -0.250 3.871 4.120 0.001 0.000 0.245 286 V C 2.589 178.701 176.094 0.030 0.000 1.045 286 V CA 1.676 63.993 62.300 0.028 0.000 1.024 286 V CB -0.539 31.323 31.823 0.066 0.000 0.651 286 V HN 0.402 nan 8.190 nan 0.000 0.449 287 R N -0.012 120.505 120.500 0.029 0.000 2.096 287 R HA -0.189 4.151 4.340 0.001 0.000 0.235 287 R C 2.382 178.690 176.300 0.015 0.000 1.127 287 R CA 1.598 57.707 56.100 0.014 0.000 0.968 287 R CB -0.327 29.981 30.300 0.012 0.000 0.861 287 R HN 0.448 nan 8.270 nan 0.000 0.440 288 K N 0.850 121.260 120.400 0.017 0.000 2.032 288 K HA -0.166 4.155 4.320 0.001 0.000 0.209 288 K C 2.033 178.648 176.600 0.025 0.000 1.048 288 K CA 1.617 57.914 56.287 0.017 0.000 0.927 288 K CB -0.142 32.365 32.500 0.012 0.000 0.712 288 K HN 0.160 nan 8.250 nan 0.000 0.441 289 A N 0.414 123.251 122.820 0.028 0.000 1.877 289 A HA -0.122 4.198 4.320 0.001 0.000 0.216 289 A C 2.262 179.892 177.584 0.076 0.000 1.186 289 A CA 1.805 53.868 52.037 0.044 0.000 0.620 289 A CB -0.836 18.187 19.000 0.037 0.000 0.822 289 A HN 0.166 nan 8.150 nan 0.000 0.443 290 V N 0.480 120.438 119.914 0.073 0.000 2.278 290 V HA -0.289 3.831 4.120 0.001 0.000 0.251 290 V C 2.931 179.073 176.094 0.080 0.000 1.062 290 V CA 2.553 64.903 62.300 0.083 0.000 1.038 290 V CB -1.033 30.762 31.823 -0.047 0.000 0.646 290 V HN 0.780 nan 8.190 nan 0.000 0.447 291 S N 0.902 116.629 115.700 0.044 0.000 2.423 291 S HA -0.205 4.266 4.470 0.001 0.000 0.231 291 S C 1.585 176.214 174.600 0.050 0.000 1.014 291 S CA 1.596 59.820 58.200 0.039 0.000 0.965 291 S CB -0.321 62.894 63.200 0.024 0.000 0.785 291 S HN 0.899 nan 8.310 nan 0.000 0.495 292 E N 0.148 120.380 120.200 0.053 0.000 2.558 292 E HA 0.236 4.586 4.350 0.001 0.000 0.205 292 E C -0.147 176.488 176.600 0.059 0.000 1.006 292 E CA -0.476 55.953 56.400 0.048 0.000 0.961 292 E CB -0.575 29.145 29.700 0.033 0.000 1.044 292 E HN 0.503 nan 8.360 nan 0.000 0.465 293 N N 2.354 121.107 118.700 0.088 0.000 2.405 293 N HA -0.001 4.739 4.740 0.001 0.000 0.260 293 N C -0.716 174.839 175.510 0.075 0.000 1.152 293 N CA -0.378 52.728 53.050 0.094 0.000 0.948 293 N CB 0.573 39.157 38.487 0.163 0.000 1.111 293 N HN 0.069 nan 8.380 nan 0.000 0.485 294 E N 1.754 121.982 120.200 0.047 0.000 2.568 294 E HA -0.001 4.349 4.350 0.001 0.000 0.262 294 E C 0.169 176.788 176.600 0.031 0.000 0.961 294 E CA 0.009 56.429 56.400 0.035 0.000 0.945 294 E CB 0.353 30.067 29.700 0.023 0.000 0.924 294 E HN 0.538 nan 8.360 nan 0.000 0.467 295 A N 2.520 125.361 122.820 0.035 0.000 2.475 295 A HA 0.410 4.730 4.320 0.001 0.000 0.239 295 A C 0.321 177.915 177.584 0.016 0.000 1.087 295 A CA 0.118 52.171 52.037 0.027 0.000 0.779 295 A CB 0.125 19.146 19.000 0.035 0.000 1.036 295 A HN 0.715 nan 8.150 nan 0.000 0.506 296 A N 1.670 124.498 122.820 0.013 0.000 2.454 296 A HA 0.494 4.815 4.320 0.001 0.000 0.260 296 A C 0.989 178.592 177.584 0.032 0.000 1.106 296 A CA 0.334 52.385 52.037 0.023 0.000 0.780 296 A CB -0.613 18.404 19.000 0.029 0.000 1.044 296 A HN 1.995 nan 8.150 nan 0.000 0.498 297 S N 2.507 118.223 115.700 0.027 0.000 2.576 297 S HA 0.259 4.730 4.470 0.001 0.000 0.272 297 S C 0.285 174.904 174.600 0.031 0.000 1.352 297 S CA -0.333 57.879 58.200 0.020 0.000 1.021 297 S CB 0.191 63.395 63.200 0.006 0.000 0.887 297 S HN 1.345 nan 8.310 nan 0.000 0.542 298 I N 2.383 122.967 120.570 0.023 0.000 2.556 298 I HA 0.128 4.299 4.170 0.001 0.000 0.284 298 I C 0.615 176.749 176.117 0.030 0.000 1.114 298 I CA -0.102 61.220 61.300 0.037 0.000 1.418 298 I CB 0.438 38.449 38.000 0.020 0.000 1.394 298 I HN 0.778 nan 8.210 nan 0.000 0.552 299 Q N 4.155 123.998 119.800 0.072 0.000 2.337 299 Q HA 0.141 4.481 4.340 0.001 0.000 0.270 299 Q C 0.266 176.288 176.000 0.037 0.000 1.002 299 Q CA 0.253 56.111 55.803 0.091 0.000 0.888 299 Q CB 0.153 29.024 28.738 0.222 0.000 1.222 299 Q HN 0.793 nan 8.270 nan 0.000 0.400 300 T N -1.762 112.711 114.554 -0.135 0.000 3.085 300 T HA 0.095 4.446 4.350 0.001 0.000 0.264 300 T C 0.747 175.326 174.700 -0.201 0.000 1.019 300 T CA -0.203 61.789 62.100 -0.180 0.000 0.910 300 T CB -0.076 68.664 68.868 -0.214 0.000 1.059 300 T HN 0.653 nan 8.240 nan 0.000 0.542 301 H N 1.405 120.414 119.070 -0.102 0.000 2.307 301 H HA 0.074 4.630 4.556 0.001 0.000 0.303 301 H C 1.914 177.210 175.328 -0.054 0.000 1.073 301 H CA 1.645 57.635 56.048 -0.096 0.000 1.338 301 H CB 0.124 29.827 29.762 -0.099 0.000 1.389 301 H HN 0.455 nan 8.280 nan 0.000 0.503 302 E N 0.994 121.255 120.200 0.103 0.000 2.106 302 E HA -0.076 4.274 4.350 0.001 0.000 0.192 302 E C 2.430 179.037 176.600 0.011 0.000 0.984 302 E CA 0.460 56.884 56.400 0.039 0.000 0.806 302 E CB -0.070 29.652 29.700 0.036 0.000 0.750 302 E HN 0.327 nan 8.360 nan 0.000 0.458 303 L N 0.497 121.718 121.223 -0.004 0.000 2.141 303 L HA -0.150 4.190 4.340 0.001 0.000 0.209 303 L C 2.134 178.982 176.870 -0.036 0.000 1.094 303 L CA 1.073 55.895 54.840 -0.030 0.000 0.763 303 L CB -0.269 41.766 42.059 -0.042 0.000 0.908 303 L HN 0.123 nan 8.230 nan 0.000 0.437 304 E N 0.190 120.367 120.200 -0.039 0.000 2.204 304 E HA -0.156 4.195 4.350 0.001 0.000 0.194 304 E C 2.274 178.864 176.600 -0.017 0.000 0.989 304 E CA 0.899 57.273 56.400 -0.043 0.000 0.824 304 E CB -0.036 29.624 29.700 -0.066 0.000 0.756 304 E HN 0.489 nan 8.360 nan 0.000 0.477 305 A N 0.815 123.638 122.820 0.005 0.000 2.014 305 A HA -0.021 4.299 4.320 0.001 0.000 0.218 305 A C 1.129 178.742 177.584 0.047 0.000 1.163 305 A CA 0.331 52.387 52.037 0.031 0.000 0.652 305 A CB -0.334 18.698 19.000 0.053 0.000 0.808 305 A HN 0.083 nan 8.150 nan 0.000 0.449 306 L N 1.020 122.261 121.223 0.031 0.000 2.482 306 L HA 0.131 4.472 4.340 0.001 0.000 0.273 306 L C 1.179 178.046 176.870 -0.006 0.000 1.228 306 L CA -0.124 54.734 54.840 0.030 0.000 0.827 306 L CB 0.371 42.416 42.059 -0.024 0.000 1.099 306 L HN 0.446 nan 8.230 nan 0.000 0.494 307 S N 0.735 116.421 115.700 -0.023 0.000 2.632 307 S HA 0.294 4.765 4.470 0.001 0.000 0.267 307 S C 1.080 175.602 174.600 -0.130 0.000 1.276 307 S CA -0.718 57.448 58.200 -0.055 0.000 0.998 307 S CB 0.975 64.150 63.200 -0.041 0.000 0.953 307 S HN 0.498 nan 8.310 nan 0.000 0.547 308 I N 0.886 121.384 120.570 -0.121 0.000 2.264 308 I HA -0.226 3.944 4.170 0.001 0.000 0.248 308 I C 2.562 178.458 176.117 -0.369 0.000 1.111 308 I CA 1.523 62.679 61.300 -0.240 0.000 1.382 308 I CB -0.491 37.364 38.000 -0.241 0.000 1.060 308 I HN 0.750 nan 8.210 nan 0.000 0.418 309 H N 0.416 119.292 119.070 -0.323 0.000 2.389 309 H HA -0.118 4.439 4.556 0.001 0.000 0.299 309 H C 2.070 177.100 175.328 -0.495 0.000 1.081 309 H CA 1.373 57.196 56.048 -0.375 0.000 1.345 309 H CB -0.025 29.477 29.762 -0.433 0.000 1.393 309 H HN 0.485 nan 8.280 nan 0.000 0.520 310 E N 0.180 120.076 120.200 -0.507 0.000 2.110 310 E HA -0.125 4.225 4.350 0.001 0.000 0.193 310 E C 2.016 178.493 176.600 -0.206 0.000 0.988 310 E CA 0.357 56.553 56.400 -0.340 0.000 0.804 310 E CB 0.188 29.759 29.700 -0.215 0.000 0.745 310 E HN 0.134 nan 8.360 nan 0.000 0.458 311 L N 0.587 121.689 121.223 -0.202 0.000 2.095 311 L HA -0.079 4.262 4.340 0.001 0.000 0.204 311 L C 2.153 178.934 176.870 -0.149 0.000 1.080 311 L CA 1.295 56.041 54.840 -0.158 0.000 0.759 311 L CB -0.697 41.264 42.059 -0.164 0.000 0.914 311 L HN 0.179 nan 8.230 nan 0.000 0.439 312 I N -0.663 119.776 120.570 -0.219 0.000 2.151 312 I HA -0.372 3.798 4.170 0.001 0.000 0.243 312 I C 2.419 178.548 176.117 0.020 0.000 1.080 312 I CA 1.530 62.743 61.300 -0.144 0.000 1.339 312 I CB -0.241 37.626 38.000 -0.222 0.000 1.039 312 I HN 0.185 nan 8.210 nan 0.000 0.409 313 I N -0.136 120.428 120.570 -0.010 0.000 2.252 313 I HA -0.288 3.883 4.170 0.001 0.000 0.245 313 I C 2.488 178.579 176.117 -0.045 0.000 1.102 313 I CA 1.028 62.320 61.300 -0.014 0.000 1.385 313 I CB -0.242 37.672 38.000 -0.145 0.000 1.064 313 I HN 0.212 nan 8.210 nan 0.000 0.414 314 L N 0.921 122.098 121.223 -0.077 0.000 2.012 314 L HA -0.228 4.113 4.340 0.001 0.000 0.210 314 L C 2.645 179.494 176.870 -0.035 0.000 1.073 314 L CA 1.839 56.637 54.840 -0.071 0.000 0.748 314 L CB -0.702 41.308 42.059 -0.083 0.000 0.891 314 L HN 0.108 nan 8.230 nan 0.000 0.431 315 R N -0.682 119.809 120.500 -0.014 0.000 2.105 315 R HA -0.171 4.170 4.340 0.001 0.000 0.239 315 R C 2.286 178.606 176.300 0.033 0.000 1.135 315 R CA 1.841 57.950 56.100 0.016 0.000 0.967 315 R CB -0.399 29.932 30.300 0.051 0.000 0.861 315 R HN 0.436 nan 8.270 nan 0.000 0.442 316 L N 0.240 121.496 121.223 0.055 0.000 2.083 316 L HA -0.202 4.138 4.340 0.001 0.000 0.209 316 L C 2.402 179.300 176.870 0.046 0.000 1.083 316 L CA 1.235 56.116 54.840 0.069 0.000 0.752 316 L CB -0.326 41.802 42.059 0.115 0.000 0.899 316 L HN 0.218 nan 8.230 nan 0.000 0.433 317 I N -0.413 120.170 120.570 0.021 0.000 2.202 317 I HA -0.255 3.916 4.170 0.001 0.000 0.242 317 I C 2.801 178.911 176.117 -0.012 0.000 1.091 317 I CA 1.063 62.367 61.300 0.007 0.000 1.368 317 I CB -0.482 37.505 38.000 -0.021 0.000 1.058 317 I HN 0.191 nan 8.210 nan 0.000 0.410 318 A N 0.591 123.398 122.820 -0.021 0.000 1.841 318 A HA -0.270 4.051 4.320 0.001 0.000 0.216 318 A C 2.194 179.771 177.584 -0.012 0.000 1.199 318 A CA 1.909 53.928 52.037 -0.029 0.000 0.621 318 A CB -0.872 18.109 19.000 -0.032 0.000 0.835 318 A HN 0.403 nan 8.150 nan 0.000 0.445 319 E N -0.631 119.572 120.200 0.004 0.000 2.172 319 E HA -0.328 4.022 4.350 0.001 0.000 0.213 319 E C 2.251 178.861 176.600 0.016 0.000 1.051 319 E CA 1.473 57.881 56.400 0.013 0.000 0.860 319 E CB -0.351 29.365 29.700 0.026 0.000 0.755 319 E HN 0.637 nan 8.360 nan 0.000 0.462 320 A N 0.392 123.226 122.820 0.023 0.000 1.858 320 A HA -0.209 4.112 4.320 0.001 0.000 0.216 320 A C 2.399 179.992 177.584 0.015 0.000 1.190 320 A CA 2.162 54.218 52.037 0.031 0.000 0.617 320 A CB -0.962 18.068 19.000 0.050 0.000 0.827 320 A HN 0.259 nan 8.150 nan 0.000 0.443 321 T N 0.230 114.779 114.554 -0.009 0.000 2.684 321 T HA -0.122 4.229 4.350 0.001 0.000 0.267 321 T C 1.716 176.408 174.700 -0.013 0.000 1.036 321 T CA 1.352 63.435 62.100 -0.028 0.000 1.148 321 T CB -0.346 68.488 68.868 -0.058 0.000 0.863 321 T HN 0.318 nan 8.240 nan 0.000 0.436 322 L N 0.706 121.923 121.223 -0.009 0.000 2.551 322 L HA 0.093 4.434 4.340 0.001 0.000 0.228 322 L C 2.211 179.084 176.870 0.005 0.000 1.153 322 L CA 0.660 55.498 54.840 -0.004 0.000 0.851 322 L CB -0.363 41.693 42.059 -0.005 0.000 0.959 322 L HN 0.382 nan 8.230 nan 0.000 0.451 323 G N -1.935 106.871 108.800 0.011 0.000 3.088 323 G HA2 0.258 4.219 3.960 0.001 0.000 0.217 323 G HA3 0.258 4.219 3.960 0.001 0.000 0.217 323 G C 1.085 175.998 174.900 0.022 0.000 1.159 323 G CA 0.503 45.613 45.100 0.017 0.000 0.760 323 G HN 0.475 nan 8.290 nan 0.000 0.550 324 G N -0.290 108.522 108.800 0.020 0.000 2.179 324 G HA2 -0.248 3.712 3.960 0.001 0.000 0.220 324 G HA3 -0.248 3.712 3.960 0.001 0.000 0.220 324 G C 0.388 175.311 174.900 0.039 0.000 0.990 324 G CA 0.202 45.318 45.100 0.027 0.000 0.646 324 G HN 0.458 nan 8.290 nan 0.000 0.517 325 M N 2.039 121.663 119.600 0.041 0.000 2.289 325 M HA 0.399 4.879 4.480 0.001 0.000 0.354 325 M C 0.080 176.409 176.300 0.049 0.000 1.210 325 M CA -0.298 55.041 55.300 0.064 0.000 1.174 325 M CB 0.299 32.942 32.600 0.072 0.000 1.297 325 M HN 0.261 nan 8.290 nan 0.000 0.423 326 E N 5.483 125.714 120.200 0.052 0.000 2.194 326 E HA 0.066 4.417 4.350 0.001 0.000 0.284 326 E C -1.461 175.221 176.600 0.136 0.000 1.035 326 E CA -0.001 56.381 56.400 -0.030 0.000 0.836 326 E CB 0.703 30.374 29.700 -0.048 0.000 1.070 326 E HN 0.658 nan 8.360 nan 0.000 0.401 327 W N 3.268 124.604 121.300 0.059 0.000 3.079 327 W HA -0.174 4.486 4.660 0.000 0.000 0.460 327 W C -1.207 175.358 176.519 0.077 0.000 1.849 327 W CA -0.326 57.056 57.345 0.063 0.000 0.459 327 W CB -1.191 28.288 29.460 0.032 0.000 2.859 327 W HN 0.544 nan 8.180 nan 0.000 0.417 328 I N 4.824 125.591 120.570 0.328 0.000 2.569 328 I HA 0.418 4.589 4.170 0.001 0.000 0.296 328 I C 0.657 176.957 176.117 0.306 0.000 1.028 328 I CA -0.688 60.769 61.300 0.263 0.000 1.082 328 I CB 1.105 39.234 38.000 0.215 0.000 1.264 328 I HN 0.300 nan 8.210 nan 0.000 0.429 329 N N 5.972 124.813 118.700 0.234 0.000 2.408 329 N HA 0.202 4.943 4.740 0.001 0.000 0.260 329 N C 0.576 176.264 175.510 0.296 0.000 1.242 329 N CA 0.021 53.200 53.050 0.215 0.000 0.959 329 N CB 1.513 40.082 38.487 0.138 0.000 1.201 329 N HN 0.728 nan 8.380 nan 0.000 0.511 330 A N 0.821 123.826 122.820 0.309 0.000 1.898 330 A HA 0.000 4.321 4.320 0.001 0.000 0.216 330 A C 2.084 179.862 177.584 0.324 0.000 1.181 330 A CA 1.793 54.080 52.037 0.416 0.000 0.620 330 A CB -1.419 17.826 19.000 0.408 0.000 0.819 330 A HN 0.845 nan 8.150 nan 0.000 0.442 331 G N -0.728 108.213 108.800 0.235 0.000 2.422 331 G HA2 -0.107 3.854 3.960 0.001 0.000 0.218 331 G HA3 -0.107 3.854 3.960 0.001 0.000 0.218 331 G C 1.523 176.521 174.900 0.163 0.000 1.140 331 G CA 0.860 46.072 45.100 0.188 0.000 0.775 331 G HN 0.396 nan 8.290 nan 0.000 0.545 332 L N -0.236 121.085 121.223 0.163 0.000 2.095 332 L HA 0.111 4.452 4.340 0.001 0.000 0.204 332 L C 2.678 179.643 176.870 0.158 0.000 1.080 332 L CA 0.948 55.872 54.840 0.140 0.000 0.759 332 L CB -0.247 41.890 42.059 0.131 0.000 0.914 332 L HN 0.276 nan 8.230 nan 0.000 0.439 333 L N 0.525 121.872 121.223 0.207 0.000 2.042 333 L HA -0.235 4.105 4.340 0.001 0.000 0.210 333 L C 2.692 179.704 176.870 0.237 0.000 1.076 333 L CA 1.817 56.792 54.840 0.226 0.000 0.749 333 L CB -0.591 41.624 42.059 0.260 0.000 0.893 333 L HN 0.182 nan 8.230 nan 0.000 0.432 334 R N -0.421 120.211 120.500 0.220 0.000 2.081 334 R HA -0.186 4.155 4.340 0.001 0.000 0.235 334 R C 2.399 178.726 176.300 0.045 0.000 1.131 334 R CA 2.041 58.173 56.100 0.053 0.000 0.960 334 R CB -0.711 29.594 30.300 0.007 0.000 0.856 334 R HN 0.623 nan 8.270 nan 0.000 0.436 335 Q N -0.187 119.659 119.800 0.077 0.000 2.084 335 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 335 Q C 2.046 178.075 176.000 0.047 0.000 0.978 335 Q CA 1.701 57.534 55.803 0.051 0.000 0.844 335 Q CB 0.033 28.807 28.738 0.061 0.000 0.898 335 Q HN 0.347 nan 8.270 nan 0.000 0.426 336 R N -0.847 119.705 120.500 0.086 0.000 2.092 336 R HA -0.173 4.168 4.340 0.001 0.000 0.231 336 R C 2.213 178.571 176.300 0.097 0.000 1.119 336 R CA 1.458 57.608 56.100 0.084 0.000 0.970 336 R CB -0.390 29.973 30.300 0.105 0.000 0.864 336 R HN 0.386 nan 8.270 nan 0.000 0.440 337 Y N 1.930 122.243 120.300 0.021 0.000 2.181 337 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 337 Y C 1.859 177.751 175.900 -0.013 0.000 1.146 337 Y CA 1.519 59.635 58.100 0.026 0.000 1.164 337 Y CB -0.103 38.393 38.460 0.059 0.000 0.982 337 Y HN 0.017 nan 8.280 nan 0.000 0.515 338 E N 0.071 120.153 120.200 -0.198 0.000 2.038 338 E HA -0.228 4.122 4.350 0.001 0.000 0.195 338 E C 1.721 178.200 176.600 -0.200 0.000 1.000 338 E CA 1.741 57.983 56.400 -0.264 0.000 0.803 338 E CB -0.112 29.507 29.700 -0.134 0.000 0.750 338 E HN 0.539 nan 8.360 nan 0.000 0.448 339 D N -0.320 120.018 120.400 -0.104 0.000 2.149 339 D HA -0.078 4.563 4.640 0.001 0.000 0.201 339 D C 1.651 177.907 176.300 -0.074 0.000 0.972 339 D CA 1.179 55.137 54.000 -0.070 0.000 0.835 339 D CB -0.206 40.576 40.800 -0.030 0.000 0.966 339 D HN 0.187 nan 8.370 nan 0.000 0.476 340 A N 0.027 122.809 122.820 -0.064 0.000 2.067 340 A HA -0.031 4.290 4.320 0.001 0.000 0.217 340 A C 2.313 179.893 177.584 -0.007 0.000 1.156 340 A CA 1.008 53.033 52.037 -0.021 0.000 0.683 340 A CB -0.289 18.749 19.000 0.063 0.000 0.808 340 A HN 0.106 nan 8.150 nan 0.000 0.455 341 S N -0.586 115.028 115.700 -0.143 0.000 2.383 341 S HA -0.014 4.457 4.470 0.001 0.000 0.227 341 S C 1.677 176.244 174.600 -0.054 0.000 1.026 341 S CA 0.879 58.995 58.200 -0.139 0.000 0.981 341 S CB -0.381 62.583 63.200 -0.394 0.000 0.818 341 S HN 0.567 nan 8.310 nan 0.000 0.472 342 L N 0.952 122.130 121.223 -0.075 0.000 1.842 342 L HA -0.119 4.221 4.340 0.001 0.000 0.229 342 L C 2.665 179.510 176.870 -0.042 0.000 1.096 342 L CA 2.213 57.026 54.840 -0.045 0.000 0.859 342 L CB -1.476 40.554 42.059 -0.048 0.000 0.897 342 L HN 0.508 nan 8.230 nan 0.000 0.445 343 T N -0.727 113.792 114.554 -0.059 0.000 2.149 343 T HA -0.477 3.874 4.350 0.001 0.000 0.187 343 T C 1.575 176.195 174.700 -0.132 0.000 1.698 343 T CA 3.106 65.157 62.100 -0.082 0.000 1.017 343 T CB -1.014 67.805 68.868 -0.082 0.000 0.819 343 T HN 0.542 nan 8.240 nan 0.000 0.421 344 M N 0.815 120.288 119.600 -0.212 0.000 2.562 344 M HA 0.207 4.688 4.480 0.001 0.000 0.257 344 M C -0.845 174.970 176.300 -0.808 0.000 1.099 344 M CA 0.496 55.487 55.300 -0.515 0.000 1.099 344 M CB 0.154 32.381 32.600 -0.622 0.000 1.427 344 M HN 0.681 nan 8.290 nan 0.000 0.489 345 Y N -1.933 118.321 120.300 -0.076 0.000 2.194 345 Y HA 0.241 4.792 4.550 0.002 0.000 0.314 345 Y C -1.400 174.448 175.900 -0.087 0.000 1.323 345 Y CA -2.423 55.630 58.100 -0.078 0.000 1.357 345 Y CB -1.275 37.129 38.460 -0.095 0.000 1.300 345 Y HN -0.017 nan 8.280 nan 0.000 0.396 346 N N 1.900 120.659 118.700 0.100 0.000 3.324 346 N HA 0.316 5.056 4.740 0.001 0.000 0.302 346 N C -0.360 175.177 175.510 0.045 0.000 1.360 346 N CA -0.316 52.763 53.050 0.047 0.000 1.190 346 N CB 0.681 39.179 38.487 0.018 0.000 1.462 346 N HN 0.501 nan 8.380 nan 0.000 0.532 347 V N -0.914 119.022 119.914 0.037 0.000 2.637 347 V HA 0.215 4.336 4.120 0.001 0.000 0.296 347 V C 0.596 176.747 176.094 0.096 0.000 1.046 347 V CA -1.091 61.248 62.300 0.066 0.000 1.066 347 V CB -0.185 31.643 31.823 0.009 0.000 0.968 347 V HN 0.259 nan 8.190 nan 0.000 0.483 348 K N 5.825 126.301 120.400 0.127 0.000 2.258 348 K HA 0.436 4.757 4.320 0.001 0.000 0.264 348 K C -2.485 174.183 176.600 0.112 0.000 1.007 348 K CA -1.527 54.803 56.287 0.071 0.000 0.941 348 K CB -0.400 32.122 32.500 0.037 0.000 0.966 348 K HN 0.568 nan 8.250 nan 0.000 0.480 349 P HA 0.081 nan 4.420 nan 0.000 0.276 349 P C -0.729 176.603 177.300 0.053 0.000 1.243 349 P CA -0.288 62.755 63.100 -0.095 0.000 0.768 349 P CB 0.710 32.222 31.700 -0.312 0.000 0.856 350 R N 1.972 122.598 120.500 0.211 0.000 2.679 350 R HA 0.342 4.683 4.340 0.001 0.000 0.269 350 R C 1.283 177.589 176.300 0.010 0.000 1.076 350 R CA -0.158 55.982 56.100 0.067 0.000 1.160 350 R CB -0.262 30.062 30.300 0.041 0.000 1.054 350 R HN 0.555 nan 8.270 nan 0.000 0.507 351 G N 0.032 108.796 108.800 -0.061 0.000 2.683 351 G HA2 0.029 3.990 3.960 0.001 0.000 0.260 351 G HA3 0.029 3.990 3.960 0.001 0.000 0.260 351 G C 0.427 175.225 174.900 -0.169 0.000 1.238 351 G CA -0.342 44.684 45.100 -0.123 0.000 0.934 351 G HN 0.598 nan 8.290 nan 0.000 0.534 352 Y N -1.005 119.261 120.300 -0.058 0.000 2.165 352 Y HA -0.172 4.379 4.550 0.001 0.000 0.286 352 Y C 3.324 179.137 175.900 -0.144 0.000 1.155 352 Y CA 2.012 60.041 58.100 -0.117 0.000 1.164 352 Y CB -0.376 38.033 38.460 -0.085 0.000 0.978 352 Y HN 0.547 nan 8.280 nan 0.000 0.513 353 T N -1.038 113.559 114.554 0.072 0.000 2.701 353 T HA -0.240 4.111 4.350 0.001 0.000 0.263 353 T C 1.961 176.627 174.700 -0.056 0.000 1.040 353 T CA 1.696 63.825 62.100 0.047 0.000 1.147 353 T CB -0.234 68.664 68.868 0.049 0.000 0.865 353 T HN 0.294 nan 8.240 nan 0.000 0.426 354 Q N -0.264 119.450 119.800 -0.143 0.000 2.030 354 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 354 Q C 1.959 177.610 176.000 -0.582 0.000 0.986 354 Q CA 2.248 57.826 55.803 -0.374 0.000 0.843 354 Q CB -1.074 27.452 28.738 -0.354 0.000 0.904 354 Q HN 0.754 nan 8.270 nan 0.000 0.420 355 Y N 0.250 120.281 120.300 -0.448 0.000 2.096 355 Y HA -0.364 4.186 4.550 0.001 0.000 0.278 355 Y C 1.987 177.766 175.900 -0.201 0.000 1.192 355 Y CA 2.650 60.555 58.100 -0.324 0.000 1.143 355 Y CB -0.616 37.645 38.460 -0.332 0.000 0.963 355 Y HN 0.455 nan 8.280 nan 0.000 0.505 356 H N -1.044 117.937 119.070 -0.150 0.000 2.357 356 H HA -0.132 4.425 4.556 0.001 0.000 0.301 356 H C 2.365 177.591 175.328 -0.170 0.000 1.082 356 H CA 1.377 57.337 56.048 -0.148 0.000 1.342 356 H CB -0.140 29.624 29.762 0.004 0.000 1.389 356 H HN 0.324 nan 8.280 nan 0.000 0.511 357 I N 0.277 120.802 120.570 -0.075 0.000 2.208 357 I HA -0.351 3.820 4.170 0.001 0.000 0.245 357 I C 1.678 177.752 176.117 -0.072 0.000 1.097 357 I CA 1.471 62.701 61.300 -0.117 0.000 1.363 357 I CB -0.434 37.439 38.000 -0.211 0.000 1.051 357 I HN 0.369 nan 8.210 nan 0.000 0.413 358 Y N 0.534 120.778 120.300 -0.093 0.000 2.181 358 Y HA -0.238 4.313 4.550 0.001 0.000 0.288 358 Y C 2.557 178.362 175.900 -0.158 0.000 1.146 358 Y CA 0.703 58.739 58.100 -0.106 0.000 1.164 358 Y CB -0.241 38.107 38.460 -0.186 0.000 0.982 358 Y HN 0.102 nan 8.280 nan 0.000 0.515 359 L N -0.152 120.984 121.223 -0.146 0.000 2.093 359 L HA -0.204 4.137 4.340 0.001 0.000 0.208 359 L C 2.387 179.212 176.870 -0.075 0.000 1.085 359 L CA 1.339 56.023 54.840 -0.259 0.000 0.755 359 L CB -0.365 41.418 42.059 -0.459 0.000 0.904 359 L HN 0.133 nan 8.230 nan 0.000 0.435 360 K N -1.116 119.286 120.400 0.003 0.000 2.097 360 K HA -0.193 4.128 4.320 0.001 0.000 0.205 360 K C 2.167 178.830 176.600 0.103 0.000 1.050 360 K CA 0.920 57.242 56.287 0.059 0.000 0.938 360 K CB -0.103 32.424 32.500 0.045 0.000 0.718 360 K HN 0.338 nan 8.250 nan 0.000 0.442 361 H N 0.145 119.218 119.070 0.005 0.000 2.353 361 H HA -0.089 4.468 4.556 0.001 0.000 0.300 361 H C 1.920 177.262 175.328 0.022 0.000 1.090 361 H CA 1.361 57.423 56.048 0.023 0.000 1.327 361 H CB 0.176 29.973 29.762 0.059 0.000 1.383 361 H HN 0.120 nan 8.280 nan 0.000 0.508 362 L N 0.390 121.588 121.223 -0.042 0.000 2.083 362 L HA -0.142 4.198 4.340 0.001 0.000 0.209 362 L C 2.790 179.629 176.870 -0.052 0.000 1.083 362 L CA 1.650 56.422 54.840 -0.113 0.000 0.752 362 L CB -0.421 41.570 42.059 -0.113 0.000 0.899 362 L HN 0.459 nan 8.230 nan 0.000 0.433 363 T N -4.923 109.636 114.554 0.009 0.000 2.985 363 T HA -0.039 4.311 4.350 0.001 0.000 0.266 363 T C 1.923 176.653 174.700 0.050 0.000 1.076 363 T CA 1.012 63.151 62.100 0.064 0.000 1.135 363 T CB -0.075 68.877 68.868 0.140 0.000 0.890 363 T HN 0.156 nan 8.240 nan 0.000 0.480 364 S N 1.682 117.402 115.700 0.033 0.000 2.395 364 S HA 0.219 4.690 4.470 0.001 0.000 0.225 364 S C 1.741 176.353 174.600 0.020 0.000 1.027 364 S CA 0.390 58.606 58.200 0.028 0.000 0.965 364 S CB -0.450 62.773 63.200 0.039 0.000 0.812 364 S HN 0.337 nan 8.310 nan 0.000 0.482 365 L N 1.365 122.581 121.223 -0.012 0.000 2.633 365 L HA 0.085 4.425 4.340 0.001 0.000 0.235 365 L C 1.576 178.475 176.870 0.049 0.000 1.163 365 L CA 0.430 55.277 54.840 0.013 0.000 0.859 365 L CB -0.739 41.269 42.059 -0.086 0.000 0.973 365 L HN 0.498 nan 8.230 nan 0.000 0.451 366 G N -0.622 108.210 108.800 0.054 0.000 2.225 366 G HA2 -0.294 3.666 3.960 0.001 0.000 0.267 366 G HA3 -0.294 3.666 3.960 0.001 0.000 0.267 366 G C 0.600 175.584 174.900 0.140 0.000 1.024 366 G CA 0.292 45.449 45.100 0.095 0.000 0.784 366 G HN 0.209 nan 8.290 nan 0.000 0.507 367 L N -1.064 120.198 121.223 0.066 0.000 2.354 367 L HA 0.394 4.735 4.340 0.001 0.000 0.212 367 L C 1.272 178.135 176.870 -0.011 0.000 1.091 367 L CA 0.689 55.544 54.840 0.024 0.000 0.828 367 L CB 0.387 42.430 42.059 -0.026 0.000 0.973 367 L HN 0.189 nan 8.230 nan 0.000 0.461 368 V N -0.453 119.471 119.914 0.016 0.000 2.709 368 V HA 0.383 4.504 4.120 0.001 0.000 0.308 368 V C -1.107 175.052 176.094 0.109 0.000 1.062 368 V CA -1.216 61.109 62.300 0.040 0.000 0.901 368 V CB 2.460 34.295 31.823 0.021 0.000 1.003 368 V HN -0.029 nan 8.190 nan 0.000 0.425 369 D N 3.172 123.644 120.400 0.120 0.000 2.198 369 D HA 0.682 5.322 4.640 0.001 0.000 0.245 369 D C -0.067 176.402 176.300 0.282 0.000 1.079 369 D CA 0.028 54.131 54.000 0.172 0.000 0.854 369 D CB 2.150 43.034 40.800 0.141 0.000 1.148 369 D HN 0.753 nan 8.370 nan 0.000 0.456 370 A N 1.988 124.956 122.820 0.247 0.000 2.337 370 A HA 0.567 4.887 4.320 0.001 0.000 0.329 370 A C -0.154 177.449 177.584 0.032 0.000 1.146 370 A CA -0.744 51.343 52.037 0.083 0.000 0.800 370 A CB 1.090 20.144 19.000 0.091 0.000 1.220 370 A HN 0.273 nan 8.150 nan 0.000 0.472 371 K N 2.803 123.155 120.400 -0.080 0.000 2.562 371 K HA 0.392 4.712 4.320 0.001 0.000 0.206 371 K C -2.396 174.078 176.600 -0.209 0.000 1.033 371 K CA -1.772 54.445 56.287 -0.117 0.000 1.029 371 K CB 1.182 33.548 32.500 -0.222 0.000 1.393 371 K HN 0.426 nan 8.250 nan 0.000 0.539 372 P HA 0.118 nan 4.420 nan 0.000 0.243 372 P C -0.778 176.461 177.300 -0.102 0.000 1.672 372 P CA -0.200 62.811 63.100 -0.148 0.000 1.000 372 P CB 0.474 32.113 31.700 -0.101 0.000 1.562 382 T N 3.498 118.021 114.554 -0.051 0.000 2.900 382 T HA 0.733 5.084 4.350 0.001 0.000 0.303 382 T C -0.820 173.707 174.700 -0.288 0.000 1.142 382 T CA -0.918 61.048 62.100 -0.223 0.000 1.007 382 T CB 1.540 70.223 68.868 -0.308 0.000 1.156 382 T HN 0.637 nan 8.240 nan 0.000 0.490 383 L N 2.099 123.093 121.223 -0.381 0.000 2.362 383 L HA 0.698 5.038 4.340 0.001 0.000 0.271 383 L C -1.347 175.452 176.870 -0.120 0.000 1.002 383 L CA -0.919 53.857 54.840 -0.107 0.000 0.818 383 L CB 1.664 43.689 42.059 -0.057 0.000 1.298 383 L HN 0.597 nan 8.230 nan 0.000 0.420 384 F N 1.360 121.573 119.950 0.439 0.000 2.540 384 F HA 0.631 5.158 4.527 0.001 0.000 0.317 384 F C 0.105 175.866 175.800 -0.065 0.000 1.104 384 F CA -0.758 57.377 58.000 0.224 0.000 0.913 384 F CB 2.000 41.069 39.000 0.114 0.000 1.170 384 F HN 0.419 nan 8.300 nan 0.000 0.450 385 R N 1.817 122.234 120.500 -0.138 0.000 2.854 385 R HA 0.766 5.107 4.340 0.001 0.000 0.271 385 R C -1.747 174.431 176.300 -0.204 0.000 0.994 385 R CA -1.164 54.674 56.100 -0.436 0.000 0.945 385 R CB 1.477 31.122 30.300 -1.092 0.000 1.194 385 R HN 0.549 nan 8.270 nan 0.000 0.476 386 L N 1.830 122.929 121.223 -0.208 0.000 2.453 386 L HA 0.277 4.617 4.340 0.001 0.000 0.272 386 L C -0.056 176.705 176.870 -0.182 0.000 1.182 386 L CA 0.554 55.298 54.840 -0.160 0.000 0.858 386 L CB 0.783 42.755 42.059 -0.145 0.000 1.120 386 L HN 0.896 nan 8.230 nan 0.000 0.474 387 A N 6.677 129.407 122.820 -0.149 0.000 2.511 387 A HA 0.316 4.636 4.320 0.001 0.000 0.242 387 A C -1.548 175.941 177.584 -0.158 0.000 1.069 387 A CA -0.718 51.253 52.037 -0.111 0.000 0.763 387 A CB -0.450 18.527 19.000 -0.039 0.000 1.001 387 A HN 0.804 nan 8.150 nan 0.000 0.498 388 P HA -0.164 nan 4.420 nan 0.000 0.221 388 P C 0.768 178.068 177.300 -0.001 0.000 1.145 388 P CA 1.898 64.982 63.100 -0.027 0.000 0.795 388 P CB -0.168 31.550 31.700 0.030 0.000 0.775 389 H N -2.182 116.890 119.070 0.004 0.000 2.546 389 H HA 0.137 4.693 4.556 0.001 0.000 0.277 389 H C 0.339 175.673 175.328 0.010 0.000 1.004 389 H CA 0.063 56.120 56.048 0.016 0.000 1.231 389 H CB -0.936 28.842 29.762 0.026 0.000 1.382 389 H HN 0.057 nan 8.280 nan 0.000 0.580 390 L N 2.676 123.653 121.223 -0.411 0.000 2.276 390 L HA 0.406 4.746 4.340 0.001 0.000 0.286 390 L C -2.437 174.349 176.870 -0.139 0.000 1.024 390 L CA -2.423 52.252 54.840 -0.275 0.000 0.826 390 L CB 1.355 43.203 42.059 -0.352 0.000 1.211 390 L HN 0.052 nan 8.230 nan 0.000 0.422 391 P HA 0.132 nan 4.420 nan 0.000 0.276 391 P C 0.455 177.726 177.300 -0.048 0.000 1.243 391 P CA -0.251 62.822 63.100 -0.045 0.000 0.768 391 P CB 1.529 33.218 31.700 -0.017 0.000 0.856 392 A N 4.214 127.006 122.820 -0.047 0.000 1.908 392 A HA -0.225 4.096 4.320 0.001 0.000 0.218 392 A C 1.823 179.389 177.584 -0.029 0.000 1.181 392 A CA 2.087 54.098 52.037 -0.044 0.000 0.627 392 A CB -1.062 17.916 19.000 -0.038 0.000 0.818 392 A HN 0.624 nan 8.150 nan 0.000 0.445 393 D N -1.137 119.250 120.400 -0.020 0.000 2.103 393 D HA -0.162 4.478 4.640 0.001 0.000 0.199 393 D C 1.931 178.222 176.300 -0.014 0.000 0.978 393 D CA 0.987 54.979 54.000 -0.013 0.000 0.829 393 D CB -0.572 40.224 40.800 -0.007 0.000 0.981 393 D HN 0.180 nan 8.370 nan 0.000 0.464 394 R N 0.070 120.562 120.500 -0.014 0.000 2.120 394 R HA -0.033 4.307 4.340 0.001 0.000 0.234 394 R C 2.337 178.624 176.300 -0.021 0.000 1.123 394 R CA 0.473 56.565 56.100 -0.014 0.000 0.975 394 R CB -1.035 29.259 30.300 -0.010 0.000 0.866 394 R HN 0.346 nan 8.270 nan 0.000 0.446 395 L N 0.479 121.685 121.223 -0.028 0.000 2.109 395 L HA -0.027 4.313 4.340 0.001 0.000 0.207 395 L C 2.107 178.960 176.870 -0.028 0.000 1.086 395 L CA 1.382 56.201 54.840 -0.035 0.000 0.760 395 L CB -0.333 41.694 42.059 -0.052 0.000 0.910 395 L HN 0.064 nan 8.230 nan 0.000 0.437 396 I N -0.311 120.247 120.570 -0.021 0.000 2.163 396 I HA -0.322 3.849 4.170 0.001 0.000 0.243 396 I C 2.410 178.523 176.117 -0.007 0.000 1.085 396 I CA 1.627 62.921 61.300 -0.010 0.000 1.347 396 I CB -0.291 37.706 38.000 -0.005 0.000 1.044 396 I HN 0.344 nan 8.210 nan 0.000 0.408 397 E N 0.064 120.257 120.200 -0.011 0.000 2.023 397 E HA -0.225 4.126 4.350 0.001 0.000 0.196 397 E C 2.302 178.892 176.600 -0.017 0.000 1.003 397 E CA 1.785 58.178 56.400 -0.012 0.000 0.809 397 E CB -0.211 29.481 29.700 -0.013 0.000 0.755 397 E HN 0.261 nan 8.360 nan 0.000 0.449 398 V N 0.911 120.811 119.914 -0.024 0.000 2.255 398 V HA -0.272 3.849 4.120 0.001 0.000 0.247 398 V C 2.368 178.441 176.094 -0.036 0.000 1.051 398 V CA 1.551 63.830 62.300 -0.035 0.000 1.018 398 V CB -0.462 31.337 31.823 -0.040 0.000 0.641 398 V HN 0.149 nan 8.190 nan 0.000 0.445 399 V N 0.014 119.910 119.914 -0.031 0.000 2.255 399 V HA -0.306 3.815 4.120 0.001 0.000 0.247 399 V C 2.346 178.431 176.094 -0.016 0.000 1.051 399 V CA 2.385 64.666 62.300 -0.031 0.000 1.018 399 V CB -0.744 31.061 31.823 -0.030 0.000 0.641 399 V HN 0.562 nan 8.190 nan 0.000 0.445 400 D N 0.089 120.492 120.400 0.005 0.000 2.133 400 D HA -0.168 4.473 4.640 0.001 0.000 0.195 400 D C 2.052 178.357 176.300 0.008 0.000 0.997 400 D CA 1.309 55.325 54.000 0.027 0.000 0.840 400 D CB -0.410 40.403 40.800 0.023 0.000 0.947 400 D HN 0.384 nan 8.370 nan 0.000 0.452 401 N N 0.330 119.023 118.700 -0.011 0.000 2.166 401 N HA -0.123 4.617 4.740 0.001 0.000 0.186 401 N C 1.977 177.470 175.510 -0.028 0.000 1.019 401 N CA 0.540 53.578 53.050 -0.020 0.000 0.856 401 N CB -0.211 38.258 38.487 -0.030 0.000 0.993 401 N HN 0.405 nan 8.380 nan 0.000 0.426 402 I N -1.261 119.287 120.570 -0.037 0.000 3.030 402 I HA 0.100 4.270 4.170 0.001 0.000 0.270 402 I C 1.668 177.758 176.117 -0.045 0.000 1.211 402 I CA 0.749 62.021 61.300 -0.047 0.000 1.479 402 I CB -0.032 37.932 38.000 -0.060 0.000 1.105 402 I HN -0.063 nan 8.210 nan 0.000 0.447 403 I N 0.843 121.389 120.570 -0.039 0.000 2.315 403 I HA -0.229 3.942 4.170 0.001 0.000 0.248 403 I C 2.632 178.741 176.117 -0.013 0.000 1.117 403 I CA 1.429 62.702 61.300 -0.046 0.000 1.404 403 I CB -0.590 37.388 38.000 -0.037 0.000 1.071 403 I HN 0.484 nan 8.210 nan 0.000 0.419 404 Q N 1.628 121.431 119.800 0.005 0.000 2.061 404 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 404 Q C 2.261 178.256 176.000 -0.007 0.000 0.984 404 Q CA 2.343 58.150 55.803 0.007 0.000 0.846 404 Q CB -0.074 28.666 28.738 0.003 0.000 0.902 404 Q HN 0.530 nan 8.270 nan 0.000 0.421 405 A N 0.684 123.493 122.820 -0.018 0.000 1.970 405 A HA -0.087 4.234 4.320 0.001 0.000 0.216 405 A C 1.953 179.524 177.584 -0.021 0.000 1.170 405 A CA 1.127 53.151 52.037 -0.021 0.000 0.645 405 A CB -0.185 18.798 19.000 -0.029 0.000 0.816 405 A HN 0.343 nan 8.150 nan 0.000 0.447 406 K N -1.297 119.087 120.400 -0.027 0.000 2.211 406 K HA 0.023 4.344 4.320 0.001 0.000 0.203 406 K C 1.885 178.473 176.600 -0.020 0.000 1.050 406 K CA 1.429 57.700 56.287 -0.027 0.000 0.945 406 K CB -0.153 32.323 32.500 -0.039 0.000 0.732 406 K HN 0.488 nan 8.250 nan 0.000 0.451 407 M N -0.210 119.381 119.600 -0.016 0.000 2.394 407 M HA 0.026 4.506 4.480 0.001 0.000 0.266 407 M C 2.009 178.308 176.300 -0.001 0.000 1.098 407 M CA 0.714 56.011 55.300 -0.006 0.000 1.149 407 M CB 0.160 32.764 32.600 0.006 0.000 1.369 407 M HN 0.147 nan 8.290 nan 0.000 0.450 408 A N -0.188 122.630 122.820 -0.003 0.000 1.986 408 A HA -0.104 4.217 4.320 0.001 0.000 0.220 408 A C 1.412 178.993 177.584 -0.004 0.000 1.171 408 A CA 1.693 53.728 52.037 -0.004 0.000 0.640 408 A CB -0.835 18.161 19.000 -0.007 0.000 0.811 408 A HN 0.495 nan 8.150 nan 0.000 0.451 409 S N 0.000 115.697 115.700 -0.005 0.000 2.498 409 S HA 0.000 4.471 4.470 0.001 0.000 0.327 409 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 409 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 409 S HN 0.000 nan 8.310 nan 0.000 0.517