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 1bxn_1_C DATA FIRST_RESID 22 DATA SEQUENCE YKXMGYWDGD YVPKDTDLLA LFRITPQDGV DPVEAAAAVA GESSTATWTV DATA SEQUENCE VWTDRLTACD MYRAKAYRVD PVPNNPEQFF CYVAYDLSLF EEGSIANLTA DATA SEQUENCE SIIGNVFSFK PIKAARLEDM RFPVAYVKTF AGPSTGIIVE RERLDKFGRP DATA SEQUENCE LLGATTKPKL GLSGRNYGRV VYEGLKGGLD FMKDDENINS QPFMHWRDRF DATA SEQUENCE LFVMDAVNKA SAATGEVKGS YLNVTAGTME EMYRRAEFAK SLGSVIIMVD DATA SEQUENCE LIVGWTCIQS MSNWCRQNDM ILHLHRAGHG TYTRQKNHGV SFRVIAKWLR DATA SEQUENCE LAGVDHMHTG TAVGKLEGDP LTVQGYYNVC RDAYTQTDLT RGLFFDQDWA DATA SEQUENCE SLRKVMPVAS GGIHAGQMHQ LIHLFGDDVV LQFGGGTIGH PQGIQAGATA DATA SEQUENCE NRVALEAMVL ARNEGRDILN EGPEILRDAA RWCGPLRAAL DTWGDI 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.997 175.900 0.161 0.000 1.272 22 Y CA 0.000 58.168 58.100 0.113 0.000 1.940 22 Y CB 0.000 38.480 38.460 0.033 0.000 1.050 26 G N 0.188 108.972 108.800 -0.028 0.000 4.956 26 G HA2 0.426 4.386 3.960 -0.000 0.000 0.263 26 G HA3 0.426 4.386 3.960 -0.000 0.000 0.263 26 G C -0.478 174.168 174.900 -0.423 0.000 0.958 26 G CA 0.066 45.034 45.100 -0.220 0.000 0.749 26 G HN 0.333 nan 8.290 nan 0.000 0.356 27 Y N -1.183 119.170 120.300 0.088 0.000 2.531 27 Y HA 0.460 5.010 4.550 -0.000 0.000 0.249 27 Y C -0.029 175.966 175.900 0.158 0.000 1.168 27 Y CA -1.196 56.953 58.100 0.081 0.000 1.226 27 Y CB 0.594 39.114 38.460 0.101 0.000 1.177 27 Y HN 0.248 nan 8.280 nan 0.000 0.527 28 W N 1.116 122.444 121.300 0.047 0.000 2.957 28 W HA 0.492 5.152 4.660 -0.000 0.000 0.336 28 W C -1.712 174.817 176.519 0.017 0.000 1.087 28 W CA -1.157 56.214 57.345 0.044 0.000 1.235 28 W CB 1.261 30.756 29.460 0.060 0.000 1.399 28 W HN -0.240 nan 8.180 nan 0.000 0.480 29 D N 3.429 123.379 120.400 -0.750 0.000 2.336 29 D HA 0.212 4.852 4.640 -0.000 0.000 0.248 29 D C 1.107 176.850 176.300 -0.928 0.000 1.326 29 D CA 0.138 53.765 54.000 -0.622 0.000 0.973 29 D CB 1.430 42.055 40.800 -0.292 0.000 1.255 29 D HN 0.644 nan 8.370 nan 0.000 0.558 30 G N 2.371 110.370 108.800 -1.335 0.000 2.469 30 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 30 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 30 G C 0.807 175.527 174.900 -0.300 0.000 1.150 30 G CA 0.619 45.162 45.100 -0.929 0.000 0.763 30 G HN 0.516 nan 8.290 nan 0.000 0.561 31 D N -0.896 119.387 120.400 -0.196 0.000 2.738 31 D HA 0.136 4.776 4.640 -0.000 0.000 0.246 31 D C -0.760 175.496 176.300 -0.074 0.000 1.270 31 D CA -0.504 53.442 54.000 -0.091 0.000 0.833 31 D CB 0.224 40.985 40.800 -0.065 0.000 1.040 31 D HN 0.330 nan 8.370 nan 0.000 0.487 32 Y N 1.446 121.624 120.300 -0.204 0.000 2.359 32 Y HA 0.194 4.744 4.550 -0.000 0.000 0.334 32 Y C -0.355 175.384 175.900 -0.268 0.000 1.058 32 Y CA -0.427 57.538 58.100 -0.225 0.000 1.244 32 Y CB 0.708 39.017 38.460 -0.252 0.000 1.187 32 Y HN -0.264 nan 8.280 nan 0.000 0.510 33 V N 9.658 129.082 119.914 -0.816 0.000 2.364 33 V HA 0.277 4.397 4.120 -0.000 0.000 0.272 33 V C -2.061 173.426 176.094 -1.011 0.000 1.036 33 V CA -1.962 59.926 62.300 -0.687 0.000 0.880 33 V CB 0.750 32.330 31.823 -0.406 0.000 0.991 33 V HN 0.758 nan 8.190 nan 0.000 0.460 34 P HA 0.182 nan 4.420 nan 0.000 0.268 34 P C -0.367 176.738 177.300 -0.325 0.000 1.204 34 P CA -0.097 62.691 63.100 -0.520 0.000 0.768 34 P CB 0.496 31.972 31.700 -0.372 0.000 0.842 35 K N 1.929 122.202 120.400 -0.212 0.000 2.126 35 K HA 0.155 4.475 4.320 -0.000 0.000 0.257 35 K C 0.801 177.362 176.600 -0.065 0.000 1.007 35 K CA -0.502 55.710 56.287 -0.124 0.000 0.928 35 K CB 0.616 33.075 32.500 -0.067 0.000 1.013 35 K HN 0.406 nan 8.250 nan 0.000 0.473 36 D N 0.945 121.319 120.400 -0.043 0.000 2.350 36 D HA -0.093 4.547 4.640 -0.000 0.000 0.216 36 D C 0.436 176.743 176.300 0.012 0.000 0.968 36 D CA 1.279 55.271 54.000 -0.014 0.000 0.894 36 D CB 0.073 40.872 40.800 -0.001 0.000 0.909 36 D HN 0.603 nan 8.370 nan 0.000 0.520 37 T N -1.339 113.228 114.554 0.021 0.000 3.255 37 T HA 0.328 4.678 4.350 -0.000 0.000 0.243 37 T C -0.424 174.320 174.700 0.074 0.000 1.057 37 T CA -0.786 61.348 62.100 0.057 0.000 1.121 37 T CB 0.618 69.521 68.868 0.060 0.000 1.104 37 T HN -0.283 nan 8.240 nan 0.000 0.571 38 D N 0.676 121.111 120.400 0.057 0.000 2.645 38 D HA 0.451 5.091 4.640 -0.000 0.000 0.228 38 D C -0.875 175.463 176.300 0.064 0.000 1.148 38 D CA -0.743 53.311 54.000 0.091 0.000 0.860 38 D CB 1.985 42.828 40.800 0.072 0.000 1.548 38 D HN 0.126 nan 8.370 nan 0.000 0.460 39 L N 1.803 123.120 121.223 0.156 0.000 2.289 39 L HA 0.489 4.829 4.340 -0.000 0.000 0.285 39 L C -0.539 176.411 176.870 0.134 0.000 1.049 39 L CA -0.373 54.510 54.840 0.071 0.000 0.804 39 L CB 0.818 42.945 42.059 0.112 0.000 1.195 39 L HN 0.307 nan 8.230 nan 0.000 0.428 40 L N 3.648 124.787 121.223 -0.141 0.000 2.356 40 L HA 0.646 4.986 4.340 -0.000 0.000 0.277 40 L C -0.130 176.621 176.870 -0.198 0.000 0.996 40 L CA -0.550 54.196 54.840 -0.156 0.000 0.822 40 L CB 1.877 43.603 42.059 -0.556 0.000 1.256 40 L HN 0.640 nan 8.230 nan 0.000 0.413 41 A N 4.751 127.674 122.820 0.172 0.000 2.318 41 A HA 0.662 4.982 4.320 -0.000 0.000 0.317 41 A C -0.997 176.626 177.584 0.065 0.000 1.159 41 A CA -0.451 51.636 52.037 0.084 0.000 0.799 41 A CB 1.579 20.744 19.000 0.275 0.000 1.194 41 A HN 0.647 nan 8.150 nan 0.000 0.479 42 L N 4.006 125.144 121.223 -0.141 0.000 2.295 42 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 42 L C -1.672 174.932 176.870 -0.444 0.000 1.018 42 L CA -0.215 54.396 54.840 -0.382 0.000 0.841 42 L CB 0.171 41.773 42.059 -0.760 0.000 1.218 42 L HN 0.711 nan 8.230 nan 0.000 0.424 43 F N 3.912 123.769 119.950 -0.155 0.000 2.408 43 F HA 0.486 5.013 4.527 -0.000 0.000 0.325 43 F C 0.918 176.696 175.800 -0.036 0.000 1.082 43 F CA -0.617 57.328 58.000 -0.090 0.000 1.032 43 F CB 0.925 39.869 39.000 -0.093 0.000 1.259 43 F HN 0.392 nan 8.300 nan 0.000 0.503 44 R N 2.636 123.231 120.500 0.158 0.000 2.664 44 R HA 0.331 4.671 4.340 -0.000 0.000 0.281 44 R C -1.328 174.961 176.300 -0.019 0.000 1.383 44 R CA -0.460 55.639 56.100 -0.003 0.000 1.563 44 R CB -0.194 30.074 30.300 -0.054 0.000 1.131 44 R HN 0.455 nan 8.270 nan 0.000 0.599 45 I N 3.007 123.588 120.570 0.020 0.000 2.533 45 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 45 I C 0.216 176.340 176.117 0.011 0.000 1.109 45 I CA 0.325 61.630 61.300 0.008 0.000 1.412 45 I CB 1.397 39.417 38.000 0.034 0.000 1.396 45 I HN 0.407 nan 8.210 nan 0.000 0.543 46 T N 8.164 122.712 114.554 -0.011 0.000 3.155 46 T HA 0.286 4.635 4.350 -0.000 0.000 0.384 46 T C -2.291 172.421 174.700 0.020 0.000 1.351 46 T CA -1.227 60.857 62.100 -0.027 0.000 1.198 46 T CB 1.045 69.886 68.868 -0.044 0.000 1.106 46 T HN 0.418 nan 8.240 nan 0.000 0.564 47 P HA 0.131 nan 4.420 nan 0.000 0.272 47 P C -0.311 177.004 177.300 0.025 0.000 1.240 47 P CA -0.562 62.567 63.100 0.049 0.000 0.791 47 P CB 0.824 32.577 31.700 0.087 0.000 0.978 48 Q N 0.792 120.586 119.800 -0.011 0.000 2.394 48 Q HA 0.093 4.433 4.340 -0.000 0.000 0.248 48 Q C -0.428 175.570 176.000 -0.003 0.000 0.992 48 Q CA 0.355 56.147 55.803 -0.020 0.000 0.888 48 Q CB -0.207 28.501 28.738 -0.049 0.000 1.257 48 Q HN 0.422 nan 8.270 nan 0.000 0.462 49 D N 0.641 121.039 120.400 -0.003 0.000 2.376 49 D HA 0.265 4.905 4.640 -0.000 0.000 0.278 49 D C 0.745 177.044 176.300 -0.001 0.000 1.384 49 D CA 1.114 55.116 54.000 0.004 0.000 1.033 49 D CB -0.140 40.659 40.800 -0.001 0.000 1.102 49 D HN 0.772 nan 8.370 nan 0.000 0.530 50 G N 1.154 109.956 108.800 0.003 0.000 2.198 50 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.156 50 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.156 50 G C -0.046 174.846 174.900 -0.014 0.000 1.012 50 G CA -0.568 44.528 45.100 -0.006 0.000 0.692 50 G HN 0.440 nan 8.290 nan 0.000 0.492 51 V N 1.139 121.046 119.914 -0.013 0.000 2.513 51 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 51 V C -0.258 175.811 176.094 -0.042 0.000 1.035 51 V CA -0.920 61.364 62.300 -0.026 0.000 0.889 51 V CB 1.772 33.576 31.823 -0.031 0.000 0.988 51 V HN 0.241 nan 8.190 nan 0.000 0.440 52 D N 7.026 127.383 120.400 -0.071 0.000 2.383 52 D HA 0.172 4.812 4.640 -0.000 0.000 0.252 52 D C -1.250 174.945 176.300 -0.176 0.000 1.166 52 D CA -0.957 52.964 54.000 -0.132 0.000 0.879 52 D CB 1.184 41.901 40.800 -0.138 0.000 1.164 52 D HN 0.322 nan 8.370 nan 0.000 0.462 53 P HA -0.181 nan 4.420 nan 0.000 0.216 53 P C 1.340 178.462 177.300 -0.297 0.000 1.150 53 P CA 0.715 63.612 63.100 -0.339 0.000 0.837 53 P CB 0.300 31.483 31.700 -0.862 0.000 0.786 54 V N 1.301 120.983 119.914 -0.386 0.000 2.255 54 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 54 V C 2.837 178.695 176.094 -0.393 0.000 1.051 54 V CA 2.249 64.227 62.300 -0.536 0.000 1.018 54 V CB -1.411 29.954 31.823 -0.762 0.000 0.641 54 V HN 0.194 nan 8.190 nan 0.000 0.445 55 E N 0.130 120.176 120.200 -0.257 0.000 2.118 55 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 55 E C 2.202 178.758 176.600 -0.073 0.000 0.992 55 E CA 1.361 57.692 56.400 -0.115 0.000 0.804 55 E CB -0.193 29.476 29.700 -0.051 0.000 0.741 55 E HN 0.573 nan 8.360 nan 0.000 0.458 56 A N 1.341 124.106 122.820 -0.092 0.000 1.877 56 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 56 A C 2.445 179.974 177.584 -0.091 0.000 1.186 56 A CA 1.953 53.952 52.037 -0.062 0.000 0.620 56 A CB -0.923 18.049 19.000 -0.047 0.000 0.822 56 A HN 0.424 nan 8.150 nan 0.000 0.443 57 A N -0.112 122.658 122.820 -0.083 0.000 1.883 57 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 57 A C 2.532 180.122 177.584 0.009 0.000 1.186 57 A CA 2.443 54.466 52.037 -0.024 0.000 0.624 57 A CB -1.140 17.896 19.000 0.060 0.000 0.822 57 A HN 1.166 nan 8.150 nan 0.000 0.444 58 A N -0.346 122.501 122.820 0.044 0.000 1.933 58 A HA 0.155 4.475 4.320 -0.000 0.000 0.218 58 A C 2.467 180.038 177.584 -0.021 0.000 1.175 58 A CA 2.084 54.207 52.037 0.142 0.000 0.628 58 A CB -0.928 18.196 19.000 0.207 0.000 0.814 58 A HN 1.109 nan 8.150 nan 0.000 0.444 59 A N -0.589 122.136 122.820 -0.159 0.000 1.969 59 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 59 A C 2.195 179.443 177.584 -0.560 0.000 1.169 59 A CA 1.600 53.333 52.037 -0.508 0.000 0.635 59 A CB -0.778 17.956 19.000 -0.444 0.000 0.810 59 A HN 0.355 nan 8.150 nan 0.000 0.445 60 V N -0.045 119.650 119.914 -0.365 0.000 2.261 60 V HA -0.271 3.848 4.120 -0.000 0.000 0.246 60 V C 3.064 178.994 176.094 -0.274 0.000 1.047 60 V CA 1.992 64.053 62.300 -0.398 0.000 1.015 60 V CB -1.297 30.251 31.823 -0.458 0.000 0.642 60 V HN 0.599 nan 8.190 nan 0.000 0.446 61 A N 0.359 123.080 122.820 -0.164 0.000 1.978 61 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 61 A C 2.337 179.793 177.584 -0.213 0.000 1.170 61 A CA 2.039 54.036 52.037 -0.067 0.000 0.636 61 A CB -1.024 18.024 19.000 0.080 0.000 0.810 61 A HN 0.566 nan 8.150 nan 0.000 0.448 62 G N -1.244 107.264 108.800 -0.485 0.000 2.453 62 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.215 62 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.215 62 G C 0.975 175.701 174.900 -0.290 0.000 1.147 62 G CA 0.341 45.060 45.100 -0.635 0.000 0.802 62 G HN 0.393 nan 8.290 nan 0.000 0.535 63 E N 0.993 120.974 120.200 -0.364 0.000 2.296 63 E HA 0.128 4.478 4.350 -0.000 0.000 0.196 63 E C 0.556 177.078 176.600 -0.130 0.000 1.143 63 E CA 0.160 56.378 56.400 -0.303 0.000 1.145 63 E CB -0.085 29.270 29.700 -0.576 0.000 1.215 63 E HN 0.493 nan 8.360 nan 0.000 0.447 64 S N -1.906 113.767 115.700 -0.045 0.000 2.885 64 S HA 0.188 4.658 4.470 -0.000 0.000 0.238 64 S C 0.183 174.844 174.600 0.100 0.000 0.766 64 S CA -0.107 58.128 58.200 0.058 0.000 1.089 64 S CB -0.479 62.804 63.200 0.138 0.000 1.396 64 S HN 0.113 nan 8.310 nan 0.000 0.509 65 S N 0.393 116.128 115.700 0.057 0.000 2.979 65 S HA 0.387 4.856 4.470 -0.000 0.000 0.302 65 S C 0.270 174.908 174.600 0.064 0.000 1.250 65 S CA 0.056 58.304 58.200 0.080 0.000 1.148 65 S CB -0.265 63.028 63.200 0.155 0.000 1.409 65 S HN 0.652 nan 8.310 nan 0.000 0.517 66 T N -0.093 114.523 114.554 0.103 0.000 3.658 66 T HA 0.591 4.941 4.350 -0.000 0.000 0.250 66 T C 0.464 175.242 174.700 0.129 0.000 1.060 66 T CA 0.283 62.442 62.100 0.098 0.000 0.962 66 T CB -1.315 67.621 68.868 0.114 0.000 1.075 66 T HN 1.101 nan 8.240 nan 0.000 0.610 67 A N 0.415 123.283 122.820 0.080 0.000 2.344 67 A HA 0.942 5.262 4.320 -0.000 0.000 0.307 67 A C 0.153 177.758 177.584 0.035 0.000 1.151 67 A CA -0.741 51.321 52.037 0.042 0.000 0.842 67 A CB 1.889 20.764 19.000 -0.210 0.000 1.350 67 A HN 0.450 nan 8.150 nan 0.000 0.459 68 T N -1.839 112.710 114.554 -0.007 0.000 2.718 68 T HA 0.415 4.765 4.350 -0.000 0.000 0.306 68 T C -0.024 174.565 174.700 -0.184 0.000 1.485 68 T CA 0.168 62.310 62.100 0.070 0.000 0.997 68 T CB 0.412 69.347 68.868 0.112 0.000 1.504 68 T HN 1.257 nan 8.240 nan 0.000 0.497 69 W N 1.162 122.299 121.300 -0.271 0.000 2.436 69 W HA 0.257 4.917 4.660 -0.000 0.000 0.284 69 W C 0.607 176.944 176.519 -0.303 0.000 1.225 69 W CA 1.112 58.228 57.345 -0.382 0.000 1.271 69 W CB -1.687 27.790 29.460 0.027 0.000 1.114 69 W HN 0.658 nan 8.180 nan 0.000 0.559 70 T N 0.346 114.448 114.554 -0.754 0.000 2.927 70 T HA 0.486 4.836 4.350 -0.000 0.000 0.286 70 T C -0.566 173.919 174.700 -0.358 0.000 1.040 70 T CA -0.548 61.143 62.100 -0.682 0.000 1.010 70 T CB 2.192 70.439 68.868 -1.034 0.000 1.177 70 T HN -0.173 nan 8.240 nan 0.000 0.546 71 V N 3.075 122.839 119.914 -0.250 0.000 2.607 71 V HA 0.689 4.809 4.120 -0.000 0.000 0.289 71 V C -0.462 175.585 176.094 -0.079 0.000 1.053 71 V CA -0.185 62.040 62.300 -0.125 0.000 0.996 71 V CB 1.021 32.797 31.823 -0.077 0.000 0.995 71 V HN 0.725 nan 8.190 nan 0.000 0.476 72 V N 6.070 125.960 119.914 -0.040 0.000 2.604 72 V HA 0.502 4.622 4.120 -0.000 0.000 0.305 72 V C 0.707 176.809 176.094 0.015 0.000 1.043 72 V CA -0.609 61.675 62.300 -0.026 0.000 0.888 72 V CB 1.483 33.252 31.823 -0.090 0.000 0.995 72 V HN 1.074 nan 8.190 nan 0.000 0.429 73 W N 2.856 124.138 121.300 -0.029 0.000 2.518 73 W HA -0.063 4.597 4.660 -0.000 0.000 0.273 73 W C 1.520 178.032 176.519 -0.011 0.000 1.247 73 W CA 1.440 58.773 57.345 -0.021 0.000 1.288 73 W CB -1.505 27.942 29.460 -0.021 0.000 1.107 73 W HN 0.758 nan 8.180 nan 0.000 0.586 74 T N -0.572 113.442 114.554 -0.900 0.000 2.881 74 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 74 T C 0.878 175.380 174.700 -0.331 0.000 1.068 74 T CA 1.893 63.477 62.100 -0.861 0.000 1.131 74 T CB -0.809 67.553 68.868 -0.843 0.000 0.871 74 T HN 0.002 nan 8.240 nan 0.000 0.479 75 D N 0.607 120.888 120.400 -0.198 0.000 2.378 75 D HA 0.097 4.737 4.640 -0.000 0.000 0.227 75 D C 2.102 178.384 176.300 -0.029 0.000 1.012 75 D CA 0.130 54.078 54.000 -0.086 0.000 0.905 75 D CB -0.100 40.671 40.800 -0.049 0.000 0.895 75 D HN 0.261 nan 8.370 nan 0.000 0.532 76 R N 0.524 121.024 120.500 -0.001 0.000 2.081 76 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 76 R C 1.623 177.944 176.300 0.035 0.000 1.131 76 R CA 1.283 57.412 56.100 0.048 0.000 0.960 76 R CB -0.572 29.802 30.300 0.124 0.000 0.856 76 R HN 0.199 nan 8.270 nan 0.000 0.436 77 L N -0.412 120.824 121.223 0.022 0.000 2.027 77 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 77 L C 2.291 179.169 176.870 0.013 0.000 1.074 77 L CA 1.946 56.797 54.840 0.019 0.000 0.745 77 L CB -0.898 41.161 42.059 0.001 0.000 0.898 77 L HN 0.260 nan 8.230 nan 0.000 0.433 78 T N -0.439 114.112 114.554 -0.004 0.000 2.653 78 T HA -0.290 4.060 4.350 -0.000 0.000 0.268 78 T C 1.651 176.385 174.700 0.058 0.000 1.035 78 T CA 2.032 64.142 62.100 0.018 0.000 1.154 78 T CB -0.386 68.481 68.868 -0.002 0.000 0.862 78 T HN 0.579 nan 8.240 nan 0.000 0.441 79 A N -0.449 122.392 122.820 0.035 0.000 3.870 79 A HA -0.351 3.969 4.320 -0.000 0.000 0.246 79 A C 2.232 179.829 177.584 0.022 0.000 0.669 79 A CA 2.256 54.307 52.037 0.023 0.000 1.221 79 A CB -2.583 16.430 19.000 0.022 0.000 1.199 79 A HN 1.462 nan 8.150 nan 0.000 0.685 80 C N -3.477 115.876 119.300 0.088 0.000 5.885 80 C HA -0.344 4.116 4.460 -0.000 0.000 0.328 80 C C 1.857 176.830 174.990 -0.028 0.000 2.433 80 C CA 2.420 61.508 59.018 0.117 0.000 2.197 80 C CB -1.876 25.912 27.740 0.080 0.000 3.236 80 C HN 2.593 nan 8.230 nan 0.000 0.260 81 D N -0.891 119.461 120.400 -0.081 0.000 4.581 81 D HA -0.325 4.315 4.640 -0.000 0.000 0.261 81 D C 1.298 177.487 176.300 -0.185 0.000 0.490 81 D CA 3.277 57.189 54.000 -0.146 0.000 1.265 81 D CB -1.207 39.511 40.800 -0.138 0.000 0.776 81 D HN 0.636 nan 8.370 nan 0.000 0.351 82 M N -0.955 118.476 119.600 -0.282 0.000 2.213 82 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 82 M C 1.362 177.488 176.300 -0.291 0.000 1.062 82 M CA 1.345 56.440 55.300 -0.342 0.000 1.105 82 M CB -0.892 31.400 32.600 -0.514 0.000 1.385 82 M HN 0.358 nan 8.290 nan 0.000 0.417 83 Y N 0.673 120.947 120.300 -0.043 0.000 2.871 83 Y HA 0.207 4.757 4.550 -0.000 0.000 0.378 83 Y C 0.284 176.177 175.900 -0.012 0.000 1.069 83 Y CA -0.475 57.602 58.100 -0.039 0.000 1.662 83 Y CB -0.359 38.077 38.460 -0.039 0.000 1.561 83 Y HN 0.103 nan 8.280 nan 0.000 0.483 84 R N 0.415 120.959 120.500 0.073 0.000 2.725 84 R HA 0.678 5.018 4.340 -0.000 0.000 0.277 84 R C -0.895 175.437 176.300 0.053 0.000 0.987 84 R CA -1.063 55.098 56.100 0.102 0.000 0.901 84 R CB 1.659 31.941 30.300 -0.030 0.000 1.207 84 R HN 0.157 nan 8.270 nan 0.000 0.463 85 A N 2.736 125.634 122.820 0.130 0.000 2.302 85 A HA 0.257 4.577 4.320 -0.000 0.000 0.295 85 A C -0.387 177.156 177.584 -0.068 0.000 1.235 85 A CA -0.252 51.739 52.037 -0.076 0.000 0.876 85 A CB 0.172 19.099 19.000 -0.122 0.000 1.133 85 A HN 0.559 nan 8.150 nan 0.000 0.533 86 K N 2.289 122.549 120.400 -0.232 0.000 2.253 86 K HA 0.470 4.790 4.320 -0.000 0.000 0.277 86 K C -0.009 176.528 176.600 -0.104 0.000 1.053 86 K CA -0.130 55.999 56.287 -0.262 0.000 0.892 86 K CB 1.589 33.682 32.500 -0.679 0.000 1.102 86 K HN 0.753 nan 8.250 nan 0.000 0.469 87 A N 3.541 126.393 122.820 0.052 0.000 2.366 87 A HA 0.324 4.644 4.320 -0.000 0.000 0.272 87 A C -0.191 177.460 177.584 0.111 0.000 1.135 87 A CA -0.252 51.903 52.037 0.196 0.000 0.804 87 A CB -0.039 19.172 19.000 0.351 0.000 1.064 87 A HN 0.834 nan 8.150 nan 0.000 0.499 88 Y N 2.275 122.582 120.300 0.013 0.000 3.026 88 Y HA 0.484 5.034 4.550 -0.000 0.000 0.160 88 Y C 0.663 176.636 175.900 0.121 0.000 0.896 88 Y CA -0.895 57.130 58.100 -0.126 0.000 1.769 88 Y CB -0.574 37.882 38.460 -0.007 0.000 1.264 88 Y HN 0.440 nan 8.280 nan 0.000 0.400 89 R N 1.389 121.676 120.500 -0.354 0.000 2.640 89 R HA 0.354 4.694 4.340 -0.000 0.000 0.270 89 R C -1.280 175.123 176.300 0.172 0.000 1.024 89 R CA 0.246 56.252 56.100 -0.156 0.000 1.085 89 R CB 0.728 30.617 30.300 -0.684 0.000 0.963 89 R HN 0.403 nan 8.270 nan 0.000 0.426 90 V N 4.038 124.099 119.914 0.245 0.000 2.614 90 V HA 0.132 4.252 4.120 -0.000 0.000 0.281 90 V C -0.980 175.250 176.094 0.227 0.000 1.031 90 V CA -0.847 61.608 62.300 0.259 0.000 0.899 90 V CB 1.835 33.760 31.823 0.170 0.000 1.037 90 V HN 0.678 nan 8.190 nan 0.000 0.456 91 D N 5.393 125.990 120.400 0.329 0.000 2.340 91 D HA 0.561 5.201 4.640 -0.000 0.000 0.240 91 D C -2.598 173.940 176.300 0.396 0.000 1.001 91 D CA -1.448 52.745 54.000 0.322 0.000 0.888 91 D CB 2.616 43.631 40.800 0.357 0.000 1.310 91 D HN 0.263 nan 8.370 nan 0.000 0.474 92 P HA 0.119 nan 4.420 nan 0.000 0.275 92 P C -0.385 177.049 177.300 0.223 0.000 1.228 92 P CA -0.409 62.915 63.100 0.374 0.000 0.786 92 P CB 0.960 32.820 31.700 0.267 0.000 0.927 93 V N 4.910 124.828 119.914 0.007 0.000 2.432 93 V HA 0.185 4.305 4.120 -0.000 0.000 0.275 93 V C -1.932 174.153 176.094 -0.016 0.000 1.043 93 V CA -1.705 60.531 62.300 -0.108 0.000 0.925 93 V CB 0.555 32.119 31.823 -0.432 0.000 0.985 93 V HN 0.545 nan 8.190 nan 0.000 0.466 94 P HA 0.135 nan 4.420 nan 0.000 0.263 94 P C 0.352 177.666 177.300 0.023 0.000 1.195 94 P CA 0.384 63.527 63.100 0.071 0.000 0.762 94 P CB 0.132 31.901 31.700 0.116 0.000 0.799 95 N N 0.768 119.475 118.700 0.012 0.000 2.753 95 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 95 N C -0.295 175.195 175.510 -0.033 0.000 1.097 95 N CA 1.128 54.176 53.050 -0.004 0.000 0.786 95 N CB -1.754 36.737 38.487 0.007 0.000 1.137 95 N HN 0.490 nan 8.380 nan 0.000 0.566 96 N N -0.590 118.070 118.700 -0.067 0.000 2.969 96 N HA 0.197 4.937 4.740 -0.000 0.000 0.230 96 N C -2.826 172.562 175.510 -0.202 0.000 1.397 96 N CA -0.927 52.052 53.050 -0.119 0.000 0.762 96 N CB 1.494 39.902 38.487 -0.131 0.000 1.495 96 N HN -0.092 nan 8.380 nan 0.000 0.583 97 P HA 0.226 nan 4.420 nan 0.000 0.282 97 P C -0.248 176.831 177.300 -0.367 0.000 1.286 97 P CA 0.344 63.310 63.100 -0.223 0.000 0.777 97 P CB 0.647 32.309 31.700 -0.063 0.000 1.184 98 E N -3.750 116.190 120.200 -0.433 0.000 3.799 98 E HA -0.242 4.108 4.350 -0.000 0.000 0.320 98 E C 0.123 176.336 176.600 -0.644 0.000 0.760 98 E CA 1.278 57.467 56.400 -0.351 0.000 1.153 98 E CB -1.835 27.783 29.700 -0.137 0.000 1.589 98 E HN 0.690 nan 8.360 nan 0.000 0.448 99 Q N -0.786 118.360 119.800 -1.090 0.000 2.337 99 Q HA 0.654 4.994 4.340 -0.000 0.000 0.270 99 Q C -1.339 173.918 176.000 -1.238 0.000 1.043 99 Q CA -0.488 54.813 55.803 -0.838 0.000 0.794 99 Q CB 1.219 29.661 28.738 -0.494 0.000 1.281 99 Q HN -0.021 nan 8.270 nan 0.000 0.446 100 F N 1.946 121.787 119.950 -0.182 0.000 2.591 100 F HA 0.455 4.982 4.527 -0.000 0.000 0.309 100 F C -0.910 174.807 175.800 -0.138 0.000 1.098 100 F CA -0.755 57.157 58.000 -0.147 0.000 0.937 100 F CB 1.420 40.397 39.000 -0.039 0.000 1.250 100 F HN 0.430 nan 8.300 nan 0.000 0.447 101 F N 2.228 122.296 119.950 0.197 0.000 2.413 101 F HA 0.379 4.906 4.527 -0.000 0.000 0.359 101 F C -0.065 175.808 175.800 0.121 0.000 1.122 101 F CA -0.419 57.614 58.000 0.055 0.000 1.160 101 F CB 0.506 39.533 39.000 0.046 0.000 1.146 101 F HN 0.325 nan 8.300 nan 0.000 0.514 102 C N 4.504 123.954 119.300 0.251 0.000 2.322 102 C HA 0.433 4.893 4.460 -0.000 0.000 0.324 102 C C -0.573 174.516 174.990 0.164 0.000 1.284 102 C CA -1.214 57.951 59.018 0.245 0.000 1.606 102 C CB -0.425 27.424 27.740 0.182 0.000 2.251 102 C HN 0.545 nan 8.230 nan 0.000 0.502 103 Y N 1.931 122.221 120.300 -0.017 0.000 2.328 103 Y HA 0.587 5.136 4.550 -0.000 0.000 0.337 103 Y C 0.305 176.113 175.900 -0.153 0.000 1.008 103 Y CA -0.525 57.487 58.100 -0.146 0.000 1.129 103 Y CB 0.840 38.956 38.460 -0.573 0.000 1.185 103 Y HN 0.431 nan 8.280 nan 0.000 0.476 104 V N 2.590 122.666 119.914 0.270 0.000 2.769 104 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 104 V C -0.373 175.835 176.094 0.190 0.000 1.061 104 V CA -1.151 61.260 62.300 0.184 0.000 0.931 104 V CB 1.819 33.675 31.823 0.054 0.000 1.010 104 V HN 0.835 nan 8.190 nan 0.000 0.433 105 A N 3.464 126.294 122.820 0.018 0.000 2.318 105 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 105 A C -1.507 175.926 177.584 -0.252 0.000 1.159 105 A CA -0.404 51.641 52.037 0.012 0.000 0.799 105 A CB 0.688 19.750 19.000 0.103 0.000 1.194 105 A HN 0.737 nan 8.150 nan 0.000 0.479 106 Y N 0.850 121.264 120.300 0.190 0.000 2.364 106 Y HA 0.409 4.959 4.550 -0.000 0.000 0.340 106 Y C 0.177 176.181 175.900 0.173 0.000 0.975 106 Y CA -0.790 57.426 58.100 0.193 0.000 1.089 106 Y CB 1.592 40.289 38.460 0.395 0.000 1.192 106 Y HN 0.758 nan 8.280 nan 0.000 0.454 107 D N 1.850 122.365 120.400 0.191 0.000 2.389 107 D HA -0.001 4.639 4.640 -0.000 0.000 0.247 107 D C 0.903 177.302 176.300 0.164 0.000 1.128 107 D CA -0.065 54.017 54.000 0.136 0.000 0.884 107 D CB 1.240 42.067 40.800 0.044 0.000 1.194 107 D HN 0.570 nan 8.370 nan 0.000 0.441 108 L N 3.437 124.780 121.223 0.200 0.000 2.051 108 L HA -0.234 4.106 4.340 -0.000 0.000 0.214 108 L C 2.027 179.023 176.870 0.210 0.000 1.076 108 L CA 2.355 57.347 54.840 0.253 0.000 0.758 108 L CB -0.879 41.299 42.059 0.198 0.000 0.890 108 L HN 0.586 nan 8.230 nan 0.000 0.433 109 S N -1.822 113.966 115.700 0.147 0.000 2.595 109 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 109 S C 1.725 176.344 174.600 0.032 0.000 0.974 109 S CA 0.774 59.060 58.200 0.143 0.000 0.942 109 S CB -0.701 62.651 63.200 0.254 0.000 0.766 109 S HN 0.532 nan 8.310 nan 0.000 0.536 110 L N -0.540 120.585 121.223 -0.163 0.000 2.509 110 L HA 0.355 4.695 4.340 -0.000 0.000 0.222 110 L C -0.219 176.274 176.870 -0.627 0.000 1.123 110 L CA 0.197 54.767 54.840 -0.449 0.000 0.856 110 L CB -0.084 41.579 42.059 -0.661 0.000 0.985 110 L HN 0.271 nan 8.230 nan 0.000 0.456 111 F N -0.478 119.496 119.950 0.040 0.000 2.480 111 F HA 0.323 4.850 4.527 -0.000 0.000 0.329 111 F C 0.635 176.489 175.800 0.091 0.000 1.091 111 F CA -0.967 57.059 58.000 0.044 0.000 0.972 111 F CB 1.097 40.099 39.000 0.004 0.000 1.150 111 F HN -0.190 nan 8.300 nan 0.000 0.467 112 E N 1.647 121.990 120.200 0.238 0.000 2.354 112 E HA 0.111 4.461 4.350 -0.000 0.000 0.269 112 E C -0.729 175.929 176.600 0.096 0.000 1.036 112 E CA -0.590 55.877 56.400 0.112 0.000 0.876 112 E CB 0.741 30.465 29.700 0.040 0.000 1.009 112 E HN 0.555 nan 8.360 nan 0.000 0.416 113 E N 1.288 121.478 120.200 -0.017 0.000 2.413 113 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 113 E C 0.501 176.842 176.600 -0.432 0.000 1.015 113 E CA 1.066 57.347 56.400 -0.199 0.000 0.916 113 E CB 0.645 30.245 29.700 -0.166 0.000 0.947 113 E HN 0.734 nan 8.360 nan 0.000 0.440 114 G N 2.397 110.602 108.800 -0.992 0.000 2.422 114 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.301 114 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.301 114 G C 0.054 174.552 174.900 -0.670 0.000 0.981 114 G CA 0.926 45.184 45.100 -1.402 0.000 0.994 114 G HN 0.388 nan 8.290 nan 0.000 0.514 115 S N -0.923 114.561 115.700 -0.360 0.000 2.664 115 S HA 0.528 4.998 4.470 -0.000 0.000 0.262 115 S C 1.462 176.081 174.600 0.032 0.000 1.229 115 S CA -0.550 57.612 58.200 -0.063 0.000 1.151 115 S CB 0.428 63.597 63.200 -0.050 0.000 1.054 115 S HN 0.269 nan 8.310 nan 0.000 0.483 116 I N 3.484 124.071 120.570 0.028 0.000 2.361 116 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 116 I C 2.673 178.515 176.117 -0.458 0.000 1.133 116 I CA 1.382 62.489 61.300 -0.322 0.000 1.413 116 I CB -0.271 37.460 38.000 -0.448 0.000 1.073 116 I HN 0.754 nan 8.210 nan 0.000 0.424 117 A N 0.728 123.427 122.820 -0.201 0.000 1.908 117 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 117 A C 2.191 179.689 177.584 -0.142 0.000 1.181 117 A CA 2.165 54.121 52.037 -0.135 0.000 0.627 117 A CB -0.878 18.123 19.000 0.003 0.000 0.818 117 A HN 0.549 nan 8.150 nan 0.000 0.445 118 N N -0.257 118.391 118.700 -0.085 0.000 2.216 118 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 118 N C 1.857 177.355 175.510 -0.019 0.000 1.017 118 N CA 1.007 54.044 53.050 -0.022 0.000 0.861 118 N CB -0.140 38.370 38.487 0.038 0.000 0.986 118 N HN 0.537 nan 8.380 nan 0.000 0.428 119 L N 1.259 122.411 121.223 -0.117 0.000 1.955 119 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 119 L C 2.659 179.328 176.870 -0.335 0.000 1.072 119 L CA 2.269 56.962 54.840 -0.244 0.000 0.755 119 L CB -1.091 40.695 42.059 -0.454 0.000 0.888 119 L HN 0.359 nan 8.230 nan 0.000 0.432 120 T N -2.013 112.170 114.554 -0.619 0.000 2.665 120 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 120 T C 1.835 176.423 174.700 -0.187 0.000 1.035 120 T CA 1.364 63.123 62.100 -0.569 0.000 1.151 120 T CB -0.857 67.541 68.868 -0.784 0.000 0.862 120 T HN 0.472 nan 8.240 nan 0.000 0.438 121 A N 1.898 124.638 122.820 -0.134 0.000 1.859 121 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 121 A C 2.784 180.378 177.584 0.017 0.000 1.198 121 A CA 2.492 54.510 52.037 -0.031 0.000 0.629 121 A CB -1.350 17.637 19.000 -0.020 0.000 0.830 121 A HN 0.573 nan 8.150 nan 0.000 0.446 122 S N -0.176 115.546 115.700 0.037 0.000 2.359 122 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 122 S C 1.856 176.487 174.600 0.053 0.000 1.035 122 S CA 1.536 59.780 58.200 0.073 0.000 1.018 122 S CB -0.432 62.868 63.200 0.166 0.000 0.876 122 S HN 0.456 nan 8.310 nan 0.000 0.448 123 I N 1.665 122.239 120.570 0.007 0.000 2.133 123 I HA -0.115 4.055 4.170 -0.000 0.000 0.238 123 I C 2.270 178.528 176.117 0.236 0.000 1.074 123 I CA 1.340 62.623 61.300 -0.029 0.000 1.342 123 I CB -1.394 36.582 38.000 -0.040 0.000 1.053 123 I HN 0.265 nan 8.210 nan 0.000 0.404 124 I N 0.175 120.898 120.570 0.256 0.000 2.179 124 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 124 I C 2.062 178.347 176.117 0.280 0.000 1.088 124 I CA 1.203 62.737 61.300 0.390 0.000 1.357 124 I CB -0.933 37.228 38.000 0.269 0.000 1.051 124 I HN 0.455 nan 8.210 nan 0.000 0.409 125 G N 1.120 110.015 108.800 0.159 0.000 2.651 125 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.315 125 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.315 125 G C 0.478 175.448 174.900 0.117 0.000 1.258 125 G CA 1.013 46.174 45.100 0.103 0.000 1.002 125 G HN 0.445 nan 8.290 nan 0.000 0.551 126 N N 0.043 118.790 118.700 0.079 0.000 2.299 126 N HA 0.320 5.060 4.740 -0.000 0.000 0.246 126 N C 1.794 177.355 175.510 0.086 0.000 1.254 126 N CA 1.305 54.414 53.050 0.098 0.000 0.879 126 N CB 0.608 39.129 38.487 0.057 0.000 1.214 126 N HN 1.137 nan 8.380 nan 0.000 0.510 127 V N -1.469 118.474 119.914 0.048 0.000 2.490 127 V HA -0.038 4.082 4.120 -0.000 0.000 0.250 127 V C 1.482 177.548 176.094 -0.048 0.000 1.061 127 V CA 1.408 63.642 62.300 -0.110 0.000 1.064 127 V CB -1.063 30.556 31.823 -0.340 0.000 0.670 127 V HN 0.066 nan 8.190 nan 0.000 0.461 128 F N 1.570 121.555 119.950 0.059 0.000 2.604 128 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 128 F C 2.240 178.157 175.800 0.195 0.000 1.131 128 F CA 1.331 59.395 58.000 0.107 0.000 1.457 128 F CB -0.250 38.806 39.000 0.094 0.000 1.095 128 F HN 0.197 nan 8.300 nan 0.000 0.574 129 S N -1.257 114.627 115.700 0.307 0.000 2.559 129 S HA 0.112 4.582 4.470 -0.000 0.000 0.226 129 S C 0.111 174.833 174.600 0.205 0.000 1.000 129 S CA -0.314 58.022 58.200 0.226 0.000 0.948 129 S CB -0.287 63.020 63.200 0.178 0.000 0.870 129 S HN 0.128 nan 8.310 nan 0.000 0.497 130 F N 4.221 124.174 119.950 0.006 0.000 2.462 130 F HA 0.320 4.847 4.527 -0.000 0.000 0.360 130 F C 1.261 177.036 175.800 -0.042 0.000 1.134 130 F CA -1.085 56.883 58.000 -0.053 0.000 1.148 130 F CB 0.266 39.188 39.000 -0.129 0.000 1.147 130 F HN -0.086 nan 8.300 nan 0.000 0.550 131 K N 4.915 125.139 120.400 -0.292 0.000 2.089 131 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 131 K C -0.673 175.726 176.600 -0.335 0.000 1.048 131 K CA 1.860 57.983 56.287 -0.272 0.000 0.926 131 K CB -1.086 31.282 32.500 -0.219 0.000 0.714 131 K HN 0.460 nan 8.250 nan 0.000 0.448 132 P HA -0.118 nan 4.420 nan 0.000 0.224 132 P C -0.114 177.070 177.300 -0.193 0.000 1.142 132 P CA 1.089 63.955 63.100 -0.391 0.000 0.778 132 P CB 0.041 31.416 31.700 -0.542 0.000 0.764 133 I N -0.686 119.796 120.570 -0.147 0.000 2.355 133 I HA 0.178 4.348 4.170 -0.000 0.000 0.288 133 I C 1.506 177.616 176.117 -0.011 0.000 0.999 133 I CA -0.645 60.630 61.300 -0.042 0.000 1.163 133 I CB 1.904 39.897 38.000 -0.012 0.000 1.316 133 I HN -0.242 nan 8.210 nan 0.000 0.454 134 K N 5.041 125.441 120.400 -0.001 0.000 2.057 134 K HA 0.068 4.388 4.320 -0.000 0.000 0.206 134 K C 0.544 177.193 176.600 0.082 0.000 1.050 134 K CA 1.105 57.402 56.287 0.017 0.000 0.935 134 K CB 0.292 32.793 32.500 0.002 0.000 0.715 134 K HN 0.765 nan 8.250 nan 0.000 0.439 135 A N -0.501 122.385 122.820 0.110 0.000 2.572 135 A HA 0.740 5.060 4.320 -0.000 0.000 0.295 135 A C -1.733 175.916 177.584 0.108 0.000 1.072 135 A CA -0.466 51.723 52.037 0.254 0.000 0.691 135 A CB 2.028 21.143 19.000 0.192 0.000 1.291 135 A HN 0.210 nan 8.150 nan 0.000 0.404 136 A N 0.963 123.796 122.820 0.022 0.000 2.547 136 A HA 0.871 5.191 4.320 -0.000 0.000 0.297 136 A C -0.685 176.799 177.584 -0.167 0.000 1.056 136 A CA -0.463 51.449 52.037 -0.208 0.000 0.688 136 A CB 1.431 20.115 19.000 -0.525 0.000 1.282 136 A HN 1.116 nan 8.150 nan 0.000 0.400 137 R N 1.544 122.063 120.500 0.033 0.000 2.604 137 R HA 0.595 4.935 4.340 -0.000 0.000 0.281 137 R C -2.020 174.388 176.300 0.179 0.000 1.020 137 R CA -0.788 55.438 56.100 0.209 0.000 0.899 137 R CB 1.533 31.925 30.300 0.153 0.000 1.205 137 R HN 0.687 nan 8.270 nan 0.000 0.450 138 L N 4.237 125.578 121.223 0.197 0.000 2.261 138 L HA 0.263 4.603 4.340 -0.000 0.000 0.289 138 L C 0.688 177.477 176.870 -0.136 0.000 1.059 138 L CA 0.414 55.168 54.840 -0.143 0.000 0.816 138 L CB 1.198 43.191 42.059 -0.111 0.000 1.191 138 L HN 0.741 nan 8.230 nan 0.000 0.431 139 E N 2.127 122.197 120.200 -0.218 0.000 2.140 139 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 139 E C -0.155 176.343 176.600 -0.170 0.000 0.973 139 E CA 0.544 56.836 56.400 -0.181 0.000 0.829 139 E CB 0.393 29.873 29.700 -0.367 0.000 0.781 139 E HN 0.673 nan 8.360 nan 0.000 0.466 140 D N -1.592 118.665 120.400 -0.238 0.000 2.710 140 D HA 0.396 5.036 4.640 -0.000 0.000 0.276 140 D C -1.296 175.007 176.300 0.005 0.000 1.267 140 D CA -0.405 53.553 54.000 -0.070 0.000 0.772 140 D CB 1.337 42.170 40.800 0.056 0.000 1.299 140 D HN -0.202 nan 8.370 nan 0.000 0.421 141 M N 0.681 120.256 119.600 -0.041 0.000 2.622 141 M HA 0.444 4.924 4.480 -0.000 0.000 0.276 141 M C -0.968 174.900 176.300 -0.719 0.000 1.265 141 M CA -0.890 54.165 55.300 -0.409 0.000 0.850 141 M CB 2.878 35.111 32.600 -0.612 0.000 1.720 141 M HN 0.127 nan 8.290 nan 0.000 0.465 142 R N 1.564 121.433 120.500 -1.052 0.000 2.513 142 R HA 0.618 4.958 4.340 -0.000 0.000 0.301 142 R C -2.301 173.515 176.300 -0.808 0.000 0.968 142 R CA -0.216 55.349 56.100 -0.893 0.000 0.872 142 R CB 1.042 30.818 30.300 -0.874 0.000 1.177 142 R HN 0.650 nan 8.270 nan 0.000 0.444 143 F N 5.795 125.575 119.950 -0.282 0.000 2.426 143 F HA 0.411 4.938 4.527 -0.000 0.000 0.348 143 F C -1.494 174.231 175.800 -0.124 0.000 1.124 143 F CA -2.083 55.811 58.000 -0.177 0.000 1.008 143 F CB 1.974 40.906 39.000 -0.114 0.000 1.139 143 F HN 0.260 nan 8.300 nan 0.000 0.452 144 P HA -0.004 nan 4.420 nan 0.000 0.269 144 P C 0.884 178.269 177.300 0.142 0.000 1.209 144 P CA -0.014 63.145 63.100 0.097 0.000 0.776 144 P CB 1.684 33.452 31.700 0.112 0.000 0.876 145 V N 3.118 123.086 119.914 0.089 0.000 2.324 145 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 145 V C 2.697 178.864 176.094 0.121 0.000 1.060 145 V CA 2.897 65.254 62.300 0.094 0.000 1.042 145 V CB -1.747 30.125 31.823 0.082 0.000 0.650 145 V HN 0.695 nan 8.190 nan 0.000 0.450 146 A N -1.277 121.620 122.820 0.129 0.000 1.986 146 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 146 A C 2.141 179.836 177.584 0.186 0.000 1.171 146 A CA 2.368 54.487 52.037 0.136 0.000 0.640 146 A CB -0.653 18.426 19.000 0.131 0.000 0.811 146 A HN 0.674 nan 8.150 nan 0.000 0.451 147 Y N 0.008 120.367 120.300 0.099 0.000 2.231 147 Y HA -0.024 4.526 4.550 -0.000 0.000 0.294 147 Y C 2.359 178.366 175.900 0.178 0.000 1.120 147 Y CA 1.319 59.495 58.100 0.127 0.000 1.141 147 Y CB -0.252 38.287 38.460 0.132 0.000 1.022 147 Y HN 0.038 nan 8.280 nan 0.000 0.523 148 V N 1.103 121.117 119.914 0.168 0.000 2.380 148 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 148 V C 2.186 178.352 176.094 0.121 0.000 1.063 148 V CA 2.122 64.479 62.300 0.096 0.000 1.055 148 V CB -0.626 31.260 31.823 0.104 0.000 0.657 148 V HN 0.290 nan 8.190 nan 0.000 0.455 149 K N 0.639 121.089 120.400 0.083 0.000 2.442 149 K HA -0.104 4.216 4.320 -0.000 0.000 0.198 149 K C 2.055 178.646 176.600 -0.015 0.000 1.044 149 K CA 1.567 57.885 56.287 0.053 0.000 0.948 149 K CB -0.709 31.821 32.500 0.049 0.000 0.762 149 K HN 0.779 nan 8.250 nan 0.000 0.472 150 T N -2.248 112.241 114.554 -0.108 0.000 3.100 150 T HA 0.093 4.443 4.350 -0.000 0.000 0.253 150 T C 0.517 174.932 174.700 -0.475 0.000 1.118 150 T CA -0.138 61.774 62.100 -0.313 0.000 1.058 150 T CB -0.176 68.397 68.868 -0.492 0.000 0.953 150 T HN -0.150 nan 8.240 nan 0.000 0.515 151 F N 0.360 120.187 119.950 -0.206 0.000 2.458 151 F HA 0.733 5.260 4.527 -0.000 0.000 0.330 151 F C 1.360 177.112 175.800 -0.079 0.000 1.082 151 F CA -1.265 56.640 58.000 -0.157 0.000 0.995 151 F CB 1.424 40.309 39.000 -0.191 0.000 1.170 151 F HN -0.008 nan 8.300 nan 0.000 0.478 152 A N 1.976 124.864 122.820 0.113 0.000 2.067 152 A HA 0.454 4.774 4.320 -0.000 0.000 0.217 152 A C 1.306 178.938 177.584 0.079 0.000 1.156 152 A CA 0.849 52.927 52.037 0.069 0.000 0.683 152 A CB -1.132 17.893 19.000 0.042 0.000 0.808 152 A HN 1.393 nan 8.150 nan 0.000 0.455 153 G N -1.354 107.506 108.800 0.101 0.000 2.741 153 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.222 153 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.222 153 G C -2.897 172.019 174.900 0.027 0.000 1.364 153 G CA -0.498 44.632 45.100 0.050 0.000 0.866 153 G HN 0.281 nan 8.290 nan 0.000 0.555 154 P HA 0.139 nan 4.420 nan 0.000 0.264 154 P C 1.123 178.429 177.300 0.011 0.000 1.179 154 P CA 0.943 64.037 63.100 -0.010 0.000 0.763 154 P CB 0.499 32.176 31.700 -0.038 0.000 0.806 155 S N -0.083 115.628 115.700 0.018 0.000 2.607 155 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 155 S C 0.902 175.510 174.600 0.013 0.000 0.969 155 S CA 1.099 59.311 58.200 0.021 0.000 0.927 155 S CB -0.445 62.778 63.200 0.038 0.000 0.772 155 S HN 0.466 nan 8.310 nan 0.000 0.533 156 T N -0.369 114.193 114.554 0.013 0.000 3.601 156 T HA 0.556 4.906 4.350 -0.000 0.000 0.242 156 T C 0.532 175.246 174.700 0.023 0.000 0.958 156 T CA 0.305 62.417 62.100 0.020 0.000 1.120 156 T CB 0.217 69.101 68.868 0.027 0.000 1.154 156 T HN 0.987 nan 8.240 nan 0.000 0.375 157 G N 1.037 109.849 108.800 0.021 0.000 2.712 157 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.686 157 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.686 157 G C 0.556 175.475 174.900 0.032 0.000 1.321 157 G CA -0.339 44.768 45.100 0.011 0.000 0.813 157 G HN 0.403 nan 8.290 nan 0.000 0.599 158 I N 0.941 121.521 120.570 0.016 0.000 2.068 158 I HA -0.275 3.895 4.170 -0.000 0.000 0.238 158 I C 2.964 179.117 176.117 0.060 0.000 1.046 158 I CA 2.151 63.469 61.300 0.030 0.000 1.306 158 I CB -0.544 37.462 38.000 0.010 0.000 1.023 158 I HN 0.608 nan 8.210 nan 0.000 0.399 159 I N 0.345 120.953 120.570 0.064 0.000 2.087 159 I HA -0.324 3.846 4.170 -0.000 0.000 0.240 159 I C 2.575 178.755 176.117 0.105 0.000 1.054 159 I CA 1.719 63.076 61.300 0.094 0.000 1.311 159 I CB -0.471 37.575 38.000 0.075 0.000 1.024 159 I HN 0.071 nan 8.210 nan 0.000 0.402 160 V N 0.518 120.478 119.914 0.077 0.000 2.343 160 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 160 V C 2.460 178.599 176.094 0.075 0.000 1.051 160 V CA 2.200 64.544 62.300 0.073 0.000 1.036 160 V CB -0.777 31.077 31.823 0.051 0.000 0.654 160 V HN 0.507 nan 8.190 nan 0.000 0.451 161 E N 0.398 120.643 120.200 0.076 0.000 2.038 161 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 161 E C 2.496 179.129 176.600 0.055 0.000 1.000 161 E CA 1.518 57.973 56.400 0.090 0.000 0.803 161 E CB -0.113 29.669 29.700 0.136 0.000 0.750 161 E HN 0.498 nan 8.360 nan 0.000 0.448 162 R N 0.228 120.745 120.500 0.028 0.000 2.105 162 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 162 R C 2.296 178.486 176.300 -0.183 0.000 1.135 162 R CA 1.701 57.729 56.100 -0.121 0.000 0.967 162 R CB -0.212 30.057 30.300 -0.052 0.000 0.861 162 R HN 0.363 nan 8.270 nan 0.000 0.442 163 E N -0.045 120.206 120.200 0.085 0.000 2.268 163 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 163 E C 1.958 178.605 176.600 0.078 0.000 0.995 163 E CA 0.650 57.160 56.400 0.183 0.000 0.836 163 E CB 0.060 29.887 29.700 0.212 0.000 0.763 163 E HN 0.317 nan 8.360 nan 0.000 0.491 164 R N 0.108 120.630 120.500 0.038 0.000 2.161 164 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 164 R C 2.159 178.459 176.300 0.001 0.000 1.055 164 R CA 0.507 56.627 56.100 0.033 0.000 0.996 164 R CB 0.106 30.435 30.300 0.048 0.000 0.901 164 R HN 0.156 nan 8.270 nan 0.000 0.456 165 L N -0.043 121.146 121.223 -0.056 0.000 2.416 165 L HA 0.049 4.389 4.340 -0.000 0.000 0.216 165 L C 0.246 176.996 176.870 -0.200 0.000 1.098 165 L CA 0.125 54.898 54.840 -0.111 0.000 0.840 165 L CB -0.038 41.946 42.059 -0.124 0.000 0.981 165 L HN 0.159 nan 8.230 nan 0.000 0.462 166 D N 1.485 121.693 120.400 -0.320 0.000 2.800 166 D HA -0.193 4.447 4.640 -0.000 0.000 0.232 166 D C -0.174 175.805 176.300 -0.535 0.000 1.137 166 D CA 0.836 54.634 54.000 -0.337 0.000 0.718 166 D CB -0.768 40.014 40.800 -0.031 0.000 1.084 166 D HN 0.281 nan 8.370 nan 0.000 0.432 167 K N 0.834 120.701 120.400 -0.888 0.000 2.559 167 K HA 0.475 4.795 4.320 -0.000 0.000 0.249 167 K C -0.637 175.560 176.600 -0.672 0.000 0.958 167 K CA -0.541 55.419 56.287 -0.545 0.000 0.901 167 K CB 0.849 33.163 32.500 -0.310 0.000 1.124 167 K HN -0.023 nan 8.250 nan 0.000 0.437 168 F N -0.187 119.772 119.950 0.016 0.000 2.577 168 F HA 0.449 4.976 4.527 -0.000 0.000 0.318 168 F C 1.185 176.999 175.800 0.023 0.000 1.065 168 F CA -1.023 56.990 58.000 0.022 0.000 0.929 168 F CB 2.127 41.139 39.000 0.020 0.000 1.237 168 F HN 0.657 nan 8.300 nan 0.000 0.468 169 G N 2.135 111.068 108.800 0.223 0.000 2.273 169 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.280 169 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.280 169 G C -0.375 174.585 174.900 0.100 0.000 1.047 169 G CA 0.390 45.573 45.100 0.137 0.000 0.869 169 G HN 1.031 nan 8.290 nan 0.000 0.502 170 R N -1.662 118.888 120.500 0.084 0.000 2.725 170 R HA 0.556 4.896 4.340 -0.000 0.000 0.254 170 R C -3.257 173.077 176.300 0.056 0.000 1.076 170 R CA -1.626 54.515 56.100 0.068 0.000 0.940 170 R CB 1.092 31.427 30.300 0.059 0.000 1.260 170 R HN 0.052 nan 8.270 nan 0.000 0.466 171 P HA 0.072 nan 4.420 nan 0.000 0.270 171 P C -0.392 176.937 177.300 0.048 0.000 1.223 171 P CA -0.282 62.858 63.100 0.067 0.000 0.785 171 P CB 0.822 32.581 31.700 0.098 0.000 0.923 172 L N 1.236 122.482 121.223 0.038 0.000 2.379 172 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 172 L C 0.776 177.685 176.870 0.065 0.000 1.084 172 L CA -0.923 53.930 54.840 0.022 0.000 0.802 172 L CB 0.476 42.561 42.059 0.045 0.000 1.175 172 L HN 0.263 nan 8.230 nan 0.000 0.448 173 L N 1.063 122.308 121.223 0.037 0.000 2.309 173 L HA 0.719 5.059 4.340 -0.000 0.000 0.282 173 L C 0.014 176.958 176.870 0.123 0.000 1.036 173 L CA -0.194 54.711 54.840 0.108 0.000 0.806 173 L CB 1.629 43.736 42.059 0.081 0.000 1.220 173 L HN 0.723 nan 8.230 nan 0.000 0.429 174 G N 2.274 111.179 108.800 0.177 0.000 2.696 174 G HA2 0.753 4.713 3.960 -0.000 0.000 0.295 174 G HA3 0.753 4.713 3.960 -0.000 0.000 0.295 174 G C -1.625 173.357 174.900 0.136 0.000 1.398 174 G CA 0.034 45.236 45.100 0.170 0.000 0.920 174 G HN 0.834 nan 8.290 nan 0.000 0.492 175 A N 0.064 122.922 122.820 0.064 0.000 2.548 175 A HA 0.996 5.316 4.320 -0.000 0.000 0.282 175 A C -0.425 177.160 177.584 0.001 0.000 1.288 175 A CA -0.651 51.419 52.037 0.056 0.000 0.748 175 A CB 1.479 20.500 19.000 0.035 0.000 1.339 175 A HN 1.051 nan 8.150 nan 0.000 0.475 176 T N 0.935 115.487 114.554 -0.003 0.000 2.916 176 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 176 T C -0.729 173.938 174.700 -0.057 0.000 1.031 176 T CA -0.281 61.806 62.100 -0.022 0.000 0.993 176 T CB 1.400 70.282 68.868 0.022 0.000 1.045 176 T HN 0.546 nan 8.240 nan 0.000 0.454 177 T N 3.188 117.677 114.554 -0.108 0.000 3.462 177 T HA 0.067 4.417 4.350 -0.000 0.000 0.257 177 T C 1.476 176.133 174.700 -0.071 0.000 1.015 177 T CA -0.373 61.600 62.100 -0.213 0.000 1.135 177 T CB 0.060 68.580 68.868 -0.580 0.000 1.061 177 T HN 0.437 nan 8.240 nan 0.000 0.772 178 K N 3.825 124.207 120.400 -0.031 0.000 2.152 178 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 178 K C -0.889 175.740 176.600 0.049 0.000 1.048 178 K CA 0.799 57.098 56.287 0.020 0.000 0.933 178 K CB -1.151 31.362 32.500 0.021 0.000 0.721 178 K HN 0.318 nan 8.250 nan 0.000 0.447 179 P HA -0.231 nan 4.420 nan 0.000 0.218 179 P C -0.225 177.145 177.300 0.117 0.000 1.154 179 P CA 1.307 64.459 63.100 0.086 0.000 0.872 179 P CB -0.001 31.764 31.700 0.107 0.000 0.790 180 K N -2.274 118.238 120.400 0.186 0.000 1.850 180 K HA -0.234 4.086 4.320 -0.000 0.000 0.415 180 K C -0.386 176.288 176.600 0.124 0.000 1.767 180 K CA 0.571 56.961 56.287 0.171 0.000 0.759 180 K CB -1.537 31.019 32.500 0.093 0.000 1.141 180 K HN -0.084 nan 8.250 nan 0.000 0.757 181 L N 1.165 122.415 121.223 0.045 0.000 2.678 181 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 181 L C 1.266 178.063 176.870 -0.121 0.000 1.142 181 L CA 1.203 56.020 54.840 -0.037 0.000 0.961 181 L CB 0.011 42.019 42.059 -0.085 0.000 1.291 181 L HN 0.850 nan 8.230 nan 0.000 0.476 182 G N 2.860 111.604 108.800 -0.094 0.000 3.784 182 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.220 182 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.220 182 G C -0.824 174.168 174.900 0.153 0.000 0.895 182 G CA -0.656 44.389 45.100 -0.092 0.000 0.939 182 G HN 0.319 nan 8.290 nan 0.000 0.708 183 L N 1.795 123.179 121.223 0.268 0.000 2.333 183 L HA 0.853 5.193 4.340 -0.000 0.000 0.263 183 L C 0.592 177.625 176.870 0.271 0.000 1.014 183 L CA -0.480 54.516 54.840 0.260 0.000 0.820 183 L CB 2.206 44.409 42.059 0.240 0.000 1.352 183 L HN 0.301 nan 8.230 nan 0.000 0.421 184 S N -0.376 115.401 115.700 0.129 0.000 2.690 184 S HA 0.518 4.988 4.470 -0.000 0.000 0.291 184 S C 1.041 175.625 174.600 -0.026 0.000 1.138 184 S CA -0.161 58.040 58.200 0.001 0.000 1.013 184 S CB 1.318 64.472 63.200 -0.076 0.000 1.053 184 S HN 0.827 nan 8.310 nan 0.000 0.539 185 G N 0.869 109.627 108.800 -0.070 0.000 2.505 185 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 185 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 185 G C 1.412 176.022 174.900 -0.484 0.000 1.145 185 G CA 1.024 46.091 45.100 -0.055 0.000 0.761 185 G HN 0.798 nan 8.290 nan 0.000 0.571 186 R N 0.456 120.363 120.500 -0.988 0.000 2.082 186 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 186 R C 2.522 178.603 176.300 -0.365 0.000 1.136 186 R CA 1.925 57.375 56.100 -1.084 0.000 0.935 186 R CB -0.441 29.439 30.300 -0.699 0.000 0.842 186 R HN 0.459 nan 8.270 nan 0.000 0.430 187 N N -0.966 117.630 118.700 -0.173 0.000 2.166 187 N HA -0.197 4.543 4.740 -0.000 0.000 0.186 187 N C 1.466 177.008 175.510 0.054 0.000 1.019 187 N CA 1.312 54.345 53.050 -0.029 0.000 0.856 187 N CB -0.220 38.274 38.487 0.012 0.000 0.993 187 N HN 0.270 nan 8.380 nan 0.000 0.426 188 Y N 1.110 121.385 120.300 -0.042 0.000 2.145 188 Y HA -0.086 4.463 4.550 -0.000 0.000 0.286 188 Y C 2.437 178.363 175.900 0.044 0.000 1.145 188 Y CA 1.736 59.849 58.100 0.023 0.000 1.148 188 Y CB -0.667 37.827 38.460 0.057 0.000 0.981 188 Y HN 0.018 nan 8.280 nan 0.000 0.507 189 G N 0.012 108.954 108.800 0.236 0.000 2.450 189 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 189 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 189 G C 1.722 176.693 174.900 0.118 0.000 1.130 189 G CA 0.959 46.183 45.100 0.206 0.000 0.760 189 G HN 0.420 nan 8.290 nan 0.000 0.557 190 R N 0.011 120.558 120.500 0.077 0.000 2.070 190 R HA -0.063 4.277 4.340 -0.000 0.000 0.233 190 R C 2.599 178.944 176.300 0.075 0.000 1.137 190 R CA 1.711 57.875 56.100 0.106 0.000 0.945 190 R CB -0.577 29.763 30.300 0.066 0.000 0.845 190 R HN 0.189 nan 8.270 nan 0.000 0.430 191 V N 0.589 120.494 119.914 -0.014 0.000 2.370 191 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 191 V C 2.385 178.428 176.094 -0.085 0.000 1.068 191 V CA 1.889 64.145 62.300 -0.075 0.000 1.061 191 V CB -0.389 31.331 31.823 -0.170 0.000 0.656 191 V HN 0.253 nan 8.190 nan 0.000 0.455 192 V N -1.097 118.765 119.914 -0.087 0.000 2.307 192 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 192 V C 2.201 178.317 176.094 0.036 0.000 1.045 192 V CA 2.295 64.564 62.300 -0.053 0.000 1.024 192 V CB -0.846 30.960 31.823 -0.029 0.000 0.651 192 V HN 0.621 nan 8.190 nan 0.000 0.449 193 Y N 1.512 121.796 120.300 -0.027 0.000 2.128 193 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 193 Y C 2.607 178.496 175.900 -0.018 0.000 1.154 193 Y CA 1.862 59.956 58.100 -0.009 0.000 1.149 193 Y CB -0.361 38.106 38.460 0.012 0.000 0.976 193 Y HN 0.265 nan 8.280 nan 0.000 0.505 194 E N -0.059 120.033 120.200 -0.180 0.000 2.038 194 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 194 E C 2.481 178.955 176.600 -0.210 0.000 1.000 194 E CA 1.281 57.527 56.400 -0.257 0.000 0.803 194 E CB -1.090 28.549 29.700 -0.103 0.000 0.750 194 E HN 0.606 nan 8.360 nan 0.000 0.448 195 G N 1.573 110.294 108.800 -0.131 0.000 2.480 195 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 195 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 195 G C 1.808 176.640 174.900 -0.114 0.000 1.200 195 G CA 0.877 45.913 45.100 -0.106 0.000 0.782 195 G HN 0.153 nan 8.290 nan 0.000 0.554 196 L N 0.226 121.386 121.223 -0.104 0.000 2.012 196 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 196 L C 2.850 179.648 176.870 -0.120 0.000 1.073 196 L CA 1.756 56.543 54.840 -0.089 0.000 0.748 196 L CB -0.420 41.616 42.059 -0.037 0.000 0.891 196 L HN 0.237 nan 8.230 nan 0.000 0.431 197 K N 0.431 120.709 120.400 -0.204 0.000 2.103 197 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 197 K C 1.855 178.356 176.600 -0.163 0.000 1.048 197 K CA 1.437 57.589 56.287 -0.226 0.000 0.930 197 K CB -0.316 31.901 32.500 -0.472 0.000 0.716 197 K HN 0.369 nan 8.250 nan 0.000 0.444 198 G N -0.843 107.857 108.800 -0.167 0.000 2.708 198 G HA2 0.010 3.970 3.960 -0.000 0.000 0.210 198 G HA3 0.010 3.970 3.960 -0.000 0.000 0.210 198 G C 0.824 175.666 174.900 -0.098 0.000 1.141 198 G CA 0.705 45.729 45.100 -0.127 0.000 0.788 198 G HN 0.573 nan 8.290 nan 0.000 0.531 199 G N -1.006 107.741 108.800 -0.088 0.000 2.296 199 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.188 199 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.188 199 G C 0.370 175.230 174.900 -0.068 0.000 1.000 199 G CA -0.220 44.839 45.100 -0.068 0.000 0.672 199 G HN 0.366 nan 8.290 nan 0.000 0.483 200 L N 1.520 122.700 121.223 -0.071 0.000 2.456 200 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 200 L C 1.031 177.832 176.870 -0.115 0.000 1.189 200 L CA -0.283 54.522 54.840 -0.058 0.000 0.846 200 L CB 0.546 42.581 42.059 -0.041 0.000 1.111 200 L HN 0.022 nan 8.230 nan 0.000 0.475 201 D N 1.517 121.809 120.400 -0.180 0.000 2.271 201 D HA 0.098 4.738 4.640 -0.000 0.000 0.206 201 D C -0.231 175.737 176.300 -0.553 0.000 0.967 201 D CA 1.189 54.935 54.000 -0.423 0.000 0.867 201 D CB 0.369 40.808 40.800 -0.602 0.000 0.960 201 D HN 0.117 nan 8.370 nan 0.000 0.509 202 F N -0.412 119.496 119.950 -0.069 0.000 2.626 202 F HA 0.472 4.999 4.527 -0.000 0.000 0.311 202 F C -0.192 175.409 175.800 -0.331 0.000 1.088 202 F CA -1.016 56.850 58.000 -0.222 0.000 0.949 202 F CB 1.420 40.277 39.000 -0.239 0.000 1.322 202 F HN -0.377 nan 8.300 nan 0.000 0.461 203 M N 1.907 121.347 119.600 -0.267 0.000 2.393 203 M HA 0.343 4.822 4.480 -0.000 0.000 0.299 203 M C -0.861 175.132 176.300 -0.513 0.000 1.103 203 M CA -0.708 54.416 55.300 -0.292 0.000 0.910 203 M CB 2.456 34.955 32.600 -0.167 0.000 1.659 203 M HN 0.654 nan 8.290 nan 0.000 0.445 204 K N 1.622 121.814 120.400 -0.346 0.000 2.182 204 K HA 0.408 4.728 4.320 -0.000 0.000 0.262 204 K C -1.022 175.550 176.600 -0.048 0.000 0.957 204 K CA -0.507 55.656 56.287 -0.208 0.000 0.842 204 K CB 1.251 33.749 32.500 -0.002 0.000 1.099 204 K HN 0.488 nan 8.250 nan 0.000 0.438 205 D N 2.346 122.763 120.400 0.029 0.000 2.443 205 D HA -0.041 4.599 4.640 -0.000 0.000 0.239 205 D C -0.368 175.991 176.300 0.099 0.000 1.136 205 D CA 0.404 54.501 54.000 0.161 0.000 0.879 205 D CB 0.624 41.519 40.800 0.158 0.000 1.195 205 D HN 0.408 nan 8.370 nan 0.000 0.443 206 D N 1.522 122.027 120.400 0.174 0.000 2.533 206 D HA -0.101 4.539 4.640 -0.000 0.000 0.236 206 D C 1.324 177.638 176.300 0.024 0.000 1.137 206 D CA 0.189 54.247 54.000 0.096 0.000 0.867 206 D CB 0.639 41.526 40.800 0.146 0.000 1.170 206 D HN 0.608 nan 8.370 nan 0.000 0.474 207 E N 3.069 123.259 120.200 -0.016 0.000 2.370 207 E HA -0.369 3.981 4.350 -0.000 0.000 0.232 207 E C 0.330 176.915 176.600 -0.026 0.000 1.117 207 E CA 2.205 58.576 56.400 -0.048 0.000 0.963 207 E CB -0.348 29.376 29.700 0.039 0.000 0.810 207 E HN 0.501 nan 8.360 nan 0.000 0.464 208 N N 0.174 118.879 118.700 0.009 0.000 2.241 208 N HA 0.243 4.983 4.740 -0.000 0.000 0.238 208 N C -0.637 174.881 175.510 0.014 0.000 1.244 208 N CA -0.056 53.002 53.050 0.013 0.000 0.880 208 N CB 0.932 39.430 38.487 0.019 0.000 1.179 208 N HN 0.334 nan 8.380 nan 0.000 0.513 209 I N -2.055 118.530 120.570 0.025 0.000 2.291 209 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 209 I C 0.020 176.154 176.117 0.027 0.000 1.064 209 I CA -0.284 61.034 61.300 0.030 0.000 1.269 209 I CB 0.786 38.810 38.000 0.041 0.000 1.418 209 I HN 0.046 nan 8.210 nan 0.000 0.485 210 N N 3.443 122.149 118.700 0.009 0.000 2.414 210 N HA 0.026 4.766 4.740 -0.000 0.000 0.189 210 N C 0.383 175.887 175.510 -0.010 0.000 1.039 210 N CA 0.206 53.247 53.050 -0.015 0.000 0.889 210 N CB 0.345 38.798 38.487 -0.056 0.000 1.085 210 N HN 0.665 nan 8.380 nan 0.000 0.442 211 S N 0.529 116.229 115.700 0.000 0.000 2.856 211 S HA 0.132 4.602 4.470 -0.000 0.000 0.140 211 S C -1.533 173.098 174.600 0.051 0.000 0.931 211 S CA -0.409 57.811 58.200 0.034 0.000 0.993 211 S CB -0.285 62.946 63.200 0.051 0.000 1.688 211 S HN 0.110 nan 8.310 nan 0.000 0.529 212 Q N 1.824 121.661 119.800 0.062 0.000 2.396 212 Q HA 0.404 4.744 4.340 -0.000 0.000 0.221 212 Q C -2.362 173.711 176.000 0.122 0.000 1.025 212 Q CA -1.558 54.290 55.803 0.076 0.000 0.946 212 Q CB 0.205 28.981 28.738 0.062 0.000 1.224 212 Q HN 0.268 nan 8.270 nan 0.000 0.539 213 P HA 0.023 nan 4.420 nan 0.000 0.244 213 P C -1.190 176.263 177.300 0.254 0.000 1.723 213 P CA 0.784 63.970 63.100 0.143 0.000 1.110 213 P CB -0.058 31.704 31.700 0.103 0.000 1.972 214 F N -0.156 119.810 119.950 0.027 0.000 1.905 214 F HA 0.262 4.789 4.527 -0.000 0.000 0.363 214 F C -0.743 175.069 175.800 0.021 0.000 0.981 214 F CA -0.165 57.846 58.000 0.018 0.000 1.118 214 F CB 0.221 39.228 39.000 0.012 0.000 1.472 214 F HN -0.031 nan 8.300 nan 0.000 0.473 215 M N 1.393 121.077 119.600 0.140 0.000 2.151 215 M HA 0.342 4.822 4.480 -0.000 0.000 0.290 215 M C -1.631 174.715 176.300 0.077 0.000 0.965 215 M CA -0.693 54.633 55.300 0.044 0.000 0.930 215 M CB 1.030 33.667 32.600 0.062 0.000 1.560 215 M HN 0.261 nan 8.290 nan 0.000 0.438 216 H N 5.693 124.729 119.070 -0.056 0.000 2.722 216 H HA 0.102 4.658 4.556 -0.000 0.000 0.328 216 H C 0.853 176.107 175.328 -0.124 0.000 1.067 216 H CA 0.587 56.577 56.048 -0.097 0.000 1.447 216 H CB 0.703 30.337 29.762 -0.214 0.000 1.469 216 H HN 0.799 nan 8.280 nan 0.000 0.544 217 W N 5.079 126.052 121.300 -0.544 0.000 2.308 217 W HA -0.266 4.394 4.660 -0.000 0.000 0.301 217 W C 0.942 177.165 176.519 -0.493 0.000 1.220 217 W CA 1.118 58.145 57.345 -0.530 0.000 1.240 217 W CB -0.614 28.419 29.460 -0.710 0.000 1.142 217 W HN 0.584 nan 8.180 nan 0.000 0.521 218 R N 0.876 120.741 120.500 -1.058 0.000 2.082 218 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 218 R C 1.978 178.267 176.300 -0.018 0.000 1.136 218 R CA 2.139 57.841 56.100 -0.663 0.000 0.935 218 R CB -0.754 29.032 30.300 -0.857 0.000 0.842 218 R HN 0.092 nan 8.270 nan 0.000 0.430 219 D N 0.164 120.557 120.400 -0.011 0.000 2.116 219 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 219 D C 1.901 178.368 176.300 0.277 0.000 0.998 219 D CA 1.142 55.214 54.000 0.119 0.000 0.836 219 D CB -0.291 40.582 40.800 0.122 0.000 0.951 219 D HN 0.224 nan 8.370 nan 0.000 0.449 220 R N -0.130 120.519 120.500 0.248 0.000 2.073 220 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 220 R C 2.325 178.924 176.300 0.498 0.000 1.134 220 R CA 1.059 57.350 56.100 0.319 0.000 0.952 220 R CB -0.306 30.095 30.300 0.168 0.000 0.850 220 R HN 0.040 nan 8.270 nan 0.000 0.433 221 F N 0.979 121.058 119.950 0.215 0.000 2.095 221 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 221 F C 2.270 178.115 175.800 0.075 0.000 1.104 221 F CA 0.765 58.869 58.000 0.174 0.000 1.232 221 F CB -0.812 38.333 39.000 0.241 0.000 0.987 221 F HN 0.039 nan 8.300 nan 0.000 0.475 222 L N -1.119 120.272 121.223 0.280 0.000 1.970 222 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 222 L C 2.511 179.362 176.870 -0.032 0.000 1.071 222 L CA 1.920 56.782 54.840 0.036 0.000 0.751 222 L CB -1.766 40.239 42.059 -0.090 0.000 0.889 222 L HN 0.059 nan 8.230 nan 0.000 0.432 223 F N -0.518 119.513 119.950 0.136 0.000 2.102 223 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 223 F C 2.569 178.440 175.800 0.118 0.000 1.105 223 F CA 0.996 59.065 58.000 0.114 0.000 1.239 223 F CB -1.055 38.023 39.000 0.131 0.000 0.991 223 F HN -0.173 nan 8.300 nan 0.000 0.474 224 V N -0.365 119.755 119.914 0.344 0.000 2.287 224 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 224 V C 2.470 178.635 176.094 0.118 0.000 1.053 224 V CA 1.591 64.031 62.300 0.233 0.000 1.027 224 V CB -0.537 31.418 31.823 0.220 0.000 0.646 224 V HN 0.249 nan 8.190 nan 0.000 0.447 225 M N -0.309 119.330 119.600 0.065 0.000 2.279 225 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 225 M C 1.954 178.264 176.300 0.017 0.000 1.062 225 M CA 1.567 56.871 55.300 0.007 0.000 1.099 225 M CB -1.388 31.183 32.600 -0.048 0.000 1.394 225 M HN 0.459 nan 8.290 nan 0.000 0.426 226 D N 0.230 120.649 120.400 0.032 0.000 2.117 226 D HA -0.049 4.591 4.640 -0.000 0.000 0.198 226 D C 1.890 178.203 176.300 0.021 0.000 0.982 226 D CA 1.631 55.640 54.000 0.014 0.000 0.828 226 D CB 0.152 40.965 40.800 0.022 0.000 0.967 226 D HN 0.237 nan 8.370 nan 0.000 0.464 227 A N 0.065 122.930 122.820 0.075 0.000 1.858 227 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 227 A C 2.589 180.251 177.584 0.130 0.000 1.190 227 A CA 1.829 53.925 52.037 0.098 0.000 0.617 227 A CB -1.016 18.084 19.000 0.167 0.000 0.827 227 A HN 0.191 nan 8.150 nan 0.000 0.443 228 V N 1.190 121.160 119.914 0.093 0.000 2.282 228 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 228 V C 2.394 178.529 176.094 0.068 0.000 1.057 228 V CA 2.264 64.610 62.300 0.075 0.000 1.032 228 V CB -0.982 30.866 31.823 0.042 0.000 0.645 228 V HN 0.577 nan 8.190 nan 0.000 0.447 229 N N 0.084 118.808 118.700 0.041 0.000 2.084 229 N HA -0.192 4.548 4.740 -0.000 0.000 0.190 229 N C 1.935 177.467 175.510 0.036 0.000 1.030 229 N CA 1.521 54.587 53.050 0.027 0.000 0.849 229 N CB -0.257 38.233 38.487 0.004 0.000 1.012 229 N HN 0.350 nan 8.380 nan 0.000 0.423 230 K N 1.472 121.879 120.400 0.012 0.000 2.103 230 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 230 K C 1.800 178.513 176.600 0.188 0.000 1.048 230 K CA 1.322 57.593 56.287 -0.027 0.000 0.930 230 K CB -0.476 31.829 32.500 -0.325 0.000 0.716 230 K HN 0.155 nan 8.250 nan 0.000 0.444 231 A N -0.425 122.574 122.820 0.298 0.000 1.898 231 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 231 A C 2.292 179.954 177.584 0.130 0.000 1.181 231 A CA 2.064 54.276 52.037 0.291 0.000 0.620 231 A CB -1.134 17.983 19.000 0.194 0.000 0.819 231 A HN 0.416 nan 8.150 nan 0.000 0.442 232 S N -0.094 115.658 115.700 0.086 0.000 2.359 232 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 232 S C 2.056 176.685 174.600 0.047 0.000 1.035 232 S CA 1.673 59.901 58.200 0.046 0.000 1.018 232 S CB -0.467 62.753 63.200 0.034 0.000 0.876 232 S HN 0.870 nan 8.310 nan 0.000 0.448 233 A N 0.058 122.913 122.820 0.058 0.000 2.168 233 A HA 0.460 4.780 4.320 -0.000 0.000 0.215 233 A C 2.041 179.662 177.584 0.062 0.000 1.152 233 A CA 1.353 53.420 52.037 0.049 0.000 0.716 233 A CB -0.646 18.377 19.000 0.039 0.000 0.794 233 A HN 0.725 nan 8.150 nan 0.000 0.465 234 A N -1.075 121.798 122.820 0.089 0.000 2.197 234 A HA 0.212 4.532 4.320 -0.000 0.000 0.210 234 A C 2.052 179.662 177.584 0.044 0.000 1.180 234 A CA 1.535 53.624 52.037 0.086 0.000 0.846 234 A CB -0.259 18.833 19.000 0.153 0.000 0.884 234 A HN 0.602 nan 8.150 nan 0.000 0.487 235 T N -5.596 108.978 114.554 0.032 0.000 2.999 235 T HA 0.414 4.764 4.350 -0.000 0.000 0.247 235 T C 1.397 176.102 174.700 0.009 0.000 1.012 235 T CA 1.202 63.307 62.100 0.009 0.000 1.048 235 T CB 0.124 68.987 68.868 -0.009 0.000 1.020 235 T HN 1.623 nan 8.240 nan 0.000 0.478 236 G N 2.299 111.108 108.800 0.014 0.000 2.142 236 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.225 236 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.225 236 G C -0.299 174.603 174.900 0.004 0.000 1.015 236 G CA 0.233 45.340 45.100 0.012 0.000 0.716 236 G HN 1.047 nan 8.290 nan 0.000 0.508 237 E N -1.377 118.820 120.200 -0.005 0.000 2.446 237 E HA 0.677 5.027 4.350 -0.000 0.000 0.276 237 E C -0.413 176.172 176.600 -0.025 0.000 0.969 237 E CA -1.263 55.125 56.400 -0.021 0.000 0.800 237 E CB 1.793 31.468 29.700 -0.041 0.000 1.341 237 E HN 0.270 nan 8.360 nan 0.000 0.460 238 V N 2.076 121.968 119.914 -0.038 0.000 2.521 238 V HA 0.161 4.281 4.120 -0.000 0.000 0.286 238 V C 0.078 176.143 176.094 -0.049 0.000 1.034 238 V CA -0.007 62.277 62.300 -0.027 0.000 1.045 238 V CB 0.216 32.026 31.823 -0.022 0.000 0.974 238 V HN 0.523 nan 8.190 nan 0.000 0.480 239 K N 2.925 123.319 120.400 -0.010 0.000 2.350 239 K HA 0.883 5.203 4.320 -0.000 0.000 0.241 239 K C 0.052 176.698 176.600 0.077 0.000 0.994 239 K CA -0.444 55.838 56.287 -0.008 0.000 0.839 239 K CB 2.456 34.959 32.500 0.004 0.000 1.244 239 K HN 0.869 nan 8.250 nan 0.000 0.443 240 G N -0.733 108.155 108.800 0.146 0.000 2.623 240 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 240 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 240 G C -1.613 173.373 174.900 0.143 0.000 1.437 240 G CA -0.358 44.869 45.100 0.212 0.000 0.798 240 G HN 0.342 nan 8.290 nan 0.000 0.488 241 S N -0.848 114.852 115.700 0.000 0.000 2.619 241 S HA 0.502 4.972 4.470 -0.000 0.000 0.280 241 S C -1.258 173.248 174.600 -0.157 0.000 1.150 241 S CA -0.611 57.493 58.200 -0.160 0.000 0.978 241 S CB 0.514 63.656 63.200 -0.097 0.000 1.041 241 S HN 0.536 nan 8.310 nan 0.000 0.485 242 Y N 4.774 124.943 120.300 -0.219 0.000 2.529 242 Y HA 0.205 4.755 4.550 -0.000 0.000 0.342 242 Y C 0.545 176.313 175.900 -0.220 0.000 1.249 242 Y CA -0.764 57.155 58.100 -0.302 0.000 1.810 242 Y CB -1.063 37.107 38.460 -0.483 0.000 1.653 242 Y HN 0.431 nan 8.280 nan 0.000 0.451 243 L N 3.163 124.308 121.223 -0.129 0.000 2.597 243 L HA -0.017 4.323 4.340 -0.000 0.000 0.271 243 L C 0.972 177.787 176.870 -0.092 0.000 1.157 243 L CA 0.368 55.038 54.840 -0.282 0.000 0.928 243 L CB -0.004 41.592 42.059 -0.772 0.000 1.216 243 L HN 0.608 nan 8.230 nan 0.000 0.481 244 N N 2.616 121.344 118.700 0.046 0.000 2.452 244 N HA 0.017 4.757 4.740 -0.000 0.000 0.266 244 N C 0.503 176.100 175.510 0.145 0.000 1.209 244 N CA -0.305 52.788 53.050 0.072 0.000 0.929 244 N CB 1.029 39.550 38.487 0.056 0.000 1.063 244 N HN 0.403 nan 8.380 nan 0.000 0.472 245 V N 2.828 122.764 119.914 0.036 0.000 3.578 245 V HA 0.008 4.128 4.120 -0.000 0.000 0.290 245 V C 0.263 176.267 176.094 -0.149 0.000 1.376 245 V CA 0.309 62.587 62.300 -0.038 0.000 1.083 245 V CB 0.279 32.063 31.823 -0.065 0.000 0.911 245 V HN 0.698 nan 8.190 nan 0.000 0.433 246 T N 2.416 116.906 114.554 -0.106 0.000 2.908 246 T HA 0.469 4.819 4.350 -0.000 0.000 0.301 246 T C 0.091 174.689 174.700 -0.170 0.000 1.019 246 T CA 0.919 62.944 62.100 -0.124 0.000 1.152 246 T CB 0.764 69.589 68.868 -0.073 0.000 0.966 246 T HN 0.572 nan 8.240 nan 0.000 0.540 247 A N 2.373 125.083 122.820 -0.184 0.000 2.588 247 A HA 0.796 5.116 4.320 -0.000 0.000 0.290 247 A C 1.298 178.792 177.584 -0.151 0.000 1.136 247 A CA -0.290 51.631 52.037 -0.194 0.000 0.681 247 A CB 0.595 19.433 19.000 -0.271 0.000 1.282 247 A HN 0.757 nan 8.150 nan 0.000 0.421 248 G N -0.679 108.045 108.800 -0.128 0.000 2.443 248 G HA2 0.324 4.284 3.960 -0.000 0.000 0.219 248 G HA3 0.324 4.284 3.960 -0.000 0.000 0.219 248 G C 0.686 175.525 174.900 -0.102 0.000 1.131 248 G CA 1.844 46.885 45.100 -0.098 0.000 0.775 248 G HN 1.618 nan 8.290 nan 0.000 0.547 249 T N -4.035 110.445 114.554 -0.122 0.000 2.896 249 T HA 0.509 4.859 4.350 -0.000 0.000 0.297 249 T C 1.091 175.686 174.700 -0.175 0.000 1.108 249 T CA -0.802 61.225 62.100 -0.121 0.000 1.004 249 T CB 1.746 70.562 68.868 -0.087 0.000 1.159 249 T HN -0.211 nan 8.240 nan 0.000 0.499 250 M N 0.486 119.970 119.600 -0.195 0.000 2.213 250 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 250 M C 1.715 177.838 176.300 -0.295 0.000 1.062 250 M CA 1.577 56.681 55.300 -0.327 0.000 1.105 250 M CB -1.327 31.077 32.600 -0.326 0.000 1.385 250 M HN 0.762 nan 8.290 nan 0.000 0.417 251 E N 0.272 120.393 120.200 -0.131 0.000 2.077 251 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 251 E C 1.925 178.487 176.600 -0.064 0.000 0.989 251 E CA 1.263 57.641 56.400 -0.036 0.000 0.800 251 E CB -0.216 29.478 29.700 -0.009 0.000 0.746 251 E HN 0.554 nan 8.360 nan 0.000 0.452 252 E N -0.096 120.027 120.200 -0.127 0.000 2.047 252 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 252 E C 2.090 178.520 176.600 -0.284 0.000 0.987 252 E CA 0.967 57.254 56.400 -0.189 0.000 0.799 252 E CB -0.159 29.413 29.700 -0.213 0.000 0.752 252 E HN 0.193 nan 8.360 nan 0.000 0.449 253 M N 0.035 119.458 119.600 -0.295 0.000 2.073 253 M HA -0.253 4.227 4.480 -0.000 0.000 0.258 253 M C 1.893 178.013 176.300 -0.301 0.000 1.070 253 M CA 1.776 56.874 55.300 -0.337 0.000 1.103 253 M CB -0.191 32.188 32.600 -0.369 0.000 1.321 253 M HN 0.182 nan 8.290 nan 0.000 0.405 254 Y N -1.154 118.967 120.300 -0.299 0.000 2.293 254 Y HA -0.243 4.307 4.550 -0.000 0.000 0.291 254 Y C 2.647 178.398 175.900 -0.248 0.000 1.137 254 Y CA 0.884 58.767 58.100 -0.363 0.000 1.202 254 Y CB -0.185 38.138 38.460 -0.229 0.000 0.990 254 Y HN 0.270 nan 8.280 nan 0.000 0.537 255 R N 0.700 121.199 120.500 -0.002 0.000 2.081 255 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 255 R C 2.152 178.476 176.300 0.039 0.000 1.131 255 R CA 1.486 57.611 56.100 0.041 0.000 0.960 255 R CB -0.037 30.280 30.300 0.029 0.000 0.856 255 R HN 0.298 nan 8.270 nan 0.000 0.436 256 R N -0.589 119.750 120.500 -0.268 0.000 2.119 256 R HA 0.045 4.385 4.340 -0.000 0.000 0.222 256 R C 2.277 178.639 176.300 0.104 0.000 1.088 256 R CA 0.954 56.852 56.100 -0.336 0.000 0.984 256 R CB -0.163 29.649 30.300 -0.813 0.000 0.884 256 R HN 0.192 nan 8.270 nan 0.000 0.447 257 A N 1.569 124.317 122.820 -0.121 0.000 1.902 257 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 257 A C 1.897 179.497 177.584 0.027 0.000 1.181 257 A CA 1.249 53.111 52.037 -0.291 0.000 0.623 257 A CB -0.200 18.170 19.000 -1.050 0.000 0.818 257 A HN 0.139 nan 8.150 nan 0.000 0.443 258 E N -1.057 119.226 120.200 0.138 0.000 2.110 258 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 258 E C 1.762 178.625 176.600 0.438 0.000 0.988 258 E CA 0.950 57.585 56.400 0.392 0.000 0.804 258 E CB -0.420 29.467 29.700 0.312 0.000 0.745 258 E HN 0.644 nan 8.360 nan 0.000 0.458 259 F N 1.641 121.780 119.950 0.315 0.000 2.146 259 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 259 F C 2.256 178.293 175.800 0.394 0.000 1.096 259 F CA 1.025 59.247 58.000 0.370 0.000 1.275 259 F CB -0.657 38.656 39.000 0.521 0.000 1.008 259 F HN -0.049 nan 8.300 nan 0.000 0.480 260 A N 0.426 123.476 122.820 0.383 0.000 1.883 260 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 260 A C 2.404 180.038 177.584 0.082 0.000 1.186 260 A CA 2.085 54.202 52.037 0.134 0.000 0.624 260 A CB -0.977 18.096 19.000 0.123 0.000 0.822 260 A HN 0.438 nan 8.150 nan 0.000 0.444 261 K N 0.224 120.767 120.400 0.237 0.000 2.032 261 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 261 K C 2.367 179.031 176.600 0.107 0.000 1.048 261 K CA 2.079 58.495 56.287 0.215 0.000 0.927 261 K CB -0.290 32.419 32.500 0.348 0.000 0.712 261 K HN 0.611 nan 8.250 nan 0.000 0.441 262 S N 1.111 116.885 115.700 0.123 0.000 2.383 262 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 262 S C 1.983 176.575 174.600 -0.013 0.000 1.030 262 S CA 1.306 59.555 58.200 0.082 0.000 1.002 262 S CB -0.655 62.649 63.200 0.173 0.000 0.829 262 S HN 0.395 nan 8.310 nan 0.000 0.467 263 L N 1.049 122.196 121.223 -0.127 0.000 2.551 263 L HA 0.203 4.543 4.340 -0.000 0.000 0.228 263 L C 1.886 178.712 176.870 -0.074 0.000 1.153 263 L CA 0.484 55.230 54.840 -0.157 0.000 0.851 263 L CB -1.129 40.754 42.059 -0.294 0.000 0.959 263 L HN 0.683 nan 8.230 nan 0.000 0.451 264 G N 0.055 108.834 108.800 -0.036 0.000 2.142 264 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.225 264 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.225 264 G C 0.264 175.159 174.900 -0.009 0.000 1.015 264 G CA 0.315 45.407 45.100 -0.013 0.000 0.716 264 G HN 0.286 nan 8.290 nan 0.000 0.508 265 S N -0.970 114.720 115.700 -0.016 0.000 2.531 265 S HA 0.400 4.870 4.470 -0.000 0.000 0.279 265 S C 1.539 176.152 174.600 0.021 0.000 1.305 265 S CA 0.351 58.544 58.200 -0.013 0.000 1.058 265 S CB 1.533 64.697 63.200 -0.059 0.000 0.899 265 S HN 1.135 nan 8.310 nan 0.000 0.493 266 V N 6.097 126.033 119.914 0.038 0.000 3.041 266 V HA 0.349 4.469 4.120 -0.000 0.000 0.260 266 V C 0.562 176.681 176.094 0.042 0.000 1.105 266 V CA 1.141 63.474 62.300 0.055 0.000 1.125 266 V CB -0.477 31.404 31.823 0.097 0.000 0.730 266 V HN 0.779 nan 8.190 nan 0.000 0.479 267 I N -1.034 119.546 120.570 0.018 0.000 2.994 267 I HA 0.522 4.692 4.170 -0.000 0.000 0.306 267 I C -1.240 174.857 176.117 -0.033 0.000 1.195 267 I CA -0.870 60.406 61.300 -0.040 0.000 1.001 267 I CB 2.373 40.294 38.000 -0.131 0.000 1.244 267 I HN -0.002 nan 8.210 nan 0.000 0.437 268 I N 5.710 126.254 120.570 -0.045 0.000 3.074 268 I HA 0.538 4.708 4.170 -0.000 0.000 0.310 268 I C -1.545 174.541 176.117 -0.051 0.000 1.153 268 I CA -0.938 60.346 61.300 -0.026 0.000 0.993 268 I CB 2.217 40.244 38.000 0.045 0.000 1.237 268 I HN 0.671 nan 8.210 nan 0.000 0.443 269 M N 5.309 124.889 119.600 -0.032 0.000 2.386 269 M HA 0.638 5.117 4.480 -0.000 0.000 0.293 269 M C -2.221 174.080 176.300 0.001 0.000 1.120 269 M CA -0.497 54.795 55.300 -0.013 0.000 0.909 269 M CB 1.967 34.546 32.600 -0.034 0.000 1.661 269 M HN 0.341 nan 8.290 nan 0.000 0.452 270 V N 2.761 122.690 119.914 0.024 0.000 2.876 270 V HA 0.442 4.562 4.120 -0.000 0.000 0.312 270 V C -1.321 174.794 176.094 0.035 0.000 1.085 270 V CA -0.723 61.575 62.300 -0.003 0.000 0.945 270 V CB 2.606 34.409 31.823 -0.033 0.000 1.017 270 V HN 0.848 nan 8.190 nan 0.000 0.428 271 D N 1.595 122.003 120.400 0.012 0.000 2.225 271 D HA 0.374 5.014 4.640 -0.000 0.000 0.248 271 D C 1.069 177.343 176.300 -0.043 0.000 1.096 271 D CA -0.356 53.666 54.000 0.038 0.000 0.863 271 D CB 1.795 42.622 40.800 0.045 0.000 1.156 271 D HN 0.451 nan 8.370 nan 0.000 0.450 272 L N 2.731 123.916 121.223 -0.064 0.000 2.051 272 L HA -0.237 4.103 4.340 -0.000 0.000 0.214 272 L C 1.770 178.524 176.870 -0.194 0.000 1.076 272 L CA 1.349 56.099 54.840 -0.150 0.000 0.758 272 L CB -0.175 41.809 42.059 -0.125 0.000 0.890 272 L HN 0.636 nan 8.230 nan 0.000 0.433 273 I N -1.261 119.238 120.570 -0.119 0.000 2.479 273 I HA -0.305 3.865 4.170 -0.000 0.000 0.258 273 I C 2.296 178.334 176.117 -0.131 0.000 1.165 273 I CA 0.806 62.042 61.300 -0.107 0.000 1.422 273 I CB -0.627 37.337 38.000 -0.059 0.000 1.087 273 I HN 0.110 nan 8.210 nan 0.000 0.441 274 V N 1.037 120.867 119.914 -0.139 0.000 2.469 274 V HA -0.071 4.049 4.120 -0.000 0.000 0.251 274 V C 1.166 177.164 176.094 -0.159 0.000 1.064 274 V CA 1.387 63.604 62.300 -0.137 0.000 1.066 274 V CB -1.625 30.118 31.823 -0.134 0.000 0.667 274 V HN 0.759 nan 8.190 nan 0.000 0.461 275 G N -2.805 105.850 108.800 -0.243 0.000 2.640 275 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 275 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 275 G C -0.263 174.498 174.900 -0.233 0.000 1.229 275 G CA -0.251 44.685 45.100 -0.272 0.000 0.796 275 G HN 0.154 nan 8.290 nan 0.000 0.654 276 W N 0.319 121.608 121.300 -0.018 0.000 2.321 276 W HA -0.086 4.574 4.660 -0.000 0.000 0.306 276 W C 2.843 179.345 176.519 -0.027 0.000 1.217 276 W CA 1.859 59.188 57.345 -0.027 0.000 1.257 276 W CB -0.406 29.013 29.460 -0.067 0.000 1.145 276 W HN 0.656 nan 8.180 nan 0.000 0.509 277 T N -0.645 114.015 114.554 0.178 0.000 2.821 277 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 277 T C 1.682 176.403 174.700 0.035 0.000 1.046 277 T CA 1.474 63.629 62.100 0.092 0.000 1.139 277 T CB -0.753 68.148 68.868 0.056 0.000 0.871 277 T HN 0.193 nan 8.240 nan 0.000 0.454 278 C N 0.874 120.164 119.300 -0.016 0.000 2.446 278 C HA 0.088 4.548 4.460 -0.000 0.000 0.277 278 C C 2.638 177.599 174.990 -0.048 0.000 1.275 278 C CA 0.017 58.989 59.018 -0.078 0.000 1.727 278 C CB -1.204 26.460 27.740 -0.126 0.000 2.010 278 C HN 0.544 nan 8.230 nan 0.000 0.486 279 I N 0.644 121.206 120.570 -0.013 0.000 2.226 279 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 279 I C 2.726 178.890 176.117 0.079 0.000 1.100 279 I CA 1.601 62.915 61.300 0.024 0.000 1.374 279 I CB -0.648 37.377 38.000 0.042 0.000 1.057 279 I HN 0.483 nan 8.210 nan 0.000 0.413 280 Q N 0.181 120.046 119.800 0.108 0.000 2.084 280 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 280 Q C 2.451 178.523 176.000 0.119 0.000 0.978 280 Q CA 1.889 57.764 55.803 0.120 0.000 0.844 280 Q CB -0.151 28.658 28.738 0.120 0.000 0.898 280 Q HN 0.449 nan 8.270 nan 0.000 0.426 281 S N 0.261 116.024 115.700 0.106 0.000 2.368 281 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 281 S C 1.869 176.627 174.600 0.263 0.000 1.029 281 S CA 0.923 59.226 58.200 0.171 0.000 0.988 281 S CB -0.042 63.226 63.200 0.113 0.000 0.838 281 S HN 0.288 nan 8.310 nan 0.000 0.462 282 M N 1.193 120.889 119.600 0.160 0.000 2.175 282 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 282 M C 2.434 178.901 176.300 0.279 0.000 1.063 282 M CA 0.985 56.410 55.300 0.208 0.000 1.119 282 M CB -1.597 31.030 32.600 0.046 0.000 1.377 282 M HN 0.326 nan 8.290 nan 0.000 0.415 283 S N 0.745 116.557 115.700 0.188 0.000 2.355 283 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 283 S C 1.687 176.388 174.600 0.168 0.000 1.031 283 S CA 1.411 59.704 58.200 0.156 0.000 0.993 283 S CB -0.103 63.165 63.200 0.113 0.000 0.859 283 S HN 0.440 nan 8.310 nan 0.000 0.453 284 N N 0.394 119.199 118.700 0.175 0.000 2.069 284 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 284 N C 1.197 176.803 175.510 0.161 0.000 1.031 284 N CA 1.473 54.607 53.050 0.140 0.000 0.852 284 N CB -0.804 37.766 38.487 0.138 0.000 1.018 284 N HN 0.665 nan 8.380 nan 0.000 0.423 285 W N 1.666 123.009 121.300 0.071 0.000 2.333 285 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 285 W C 2.345 178.881 176.519 0.028 0.000 1.215 285 W CA 1.351 58.721 57.345 0.042 0.000 1.278 285 W CB -0.662 28.871 29.460 0.122 0.000 1.154 285 W HN 0.008 nan 8.180 nan 0.000 0.486 286 C N 0.238 119.742 119.300 0.339 0.000 2.401 286 C HA -0.223 4.237 4.460 -0.000 0.000 0.276 286 C C 2.672 177.602 174.990 -0.100 0.000 1.233 286 C CA 1.487 60.568 59.018 0.105 0.000 1.753 286 C CB -1.632 26.242 27.740 0.224 0.000 2.029 286 C HN 0.404 nan 8.230 nan 0.000 0.478 287 R N 0.944 121.419 120.500 -0.041 0.000 2.083 287 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 287 R C 2.102 178.324 176.300 -0.130 0.000 1.137 287 R CA 1.597 57.661 56.100 -0.060 0.000 0.951 287 R CB -0.568 29.721 30.300 -0.019 0.000 0.851 287 R HN 0.477 nan 8.270 nan 0.000 0.434 288 Q N 0.035 119.724 119.800 -0.185 0.000 2.482 288 Q HA 0.062 4.402 4.340 -0.000 0.000 0.209 288 Q C 0.134 175.917 176.000 -0.360 0.000 0.961 288 Q CA 0.605 56.269 55.803 -0.231 0.000 0.945 288 Q CB 0.289 28.905 28.738 -0.204 0.000 1.012 288 Q HN 0.436 nan 8.270 nan 0.000 0.515 289 N N 0.473 118.884 118.700 -0.481 0.000 2.143 289 N HA -0.006 4.734 4.740 -0.000 0.000 0.229 289 N C -0.905 174.405 175.510 -0.334 0.000 1.294 289 N CA 0.009 52.722 53.050 -0.562 0.000 0.883 289 N CB 1.053 38.808 38.487 -1.221 0.000 1.148 289 N HN -0.004 nan 8.380 nan 0.000 0.511 290 D N 1.271 121.541 120.400 -0.216 0.000 2.697 290 D HA -0.167 4.473 4.640 -0.000 0.000 0.238 290 D C -0.232 176.024 176.300 -0.074 0.000 1.152 290 D CA 0.955 54.888 54.000 -0.111 0.000 0.666 290 D CB -0.720 40.032 40.800 -0.080 0.000 1.037 290 D HN 0.272 nan 8.370 nan 0.000 0.423 291 M N 0.048 119.611 119.600 -0.061 0.000 2.598 291 M HA 0.487 4.967 4.480 -0.000 0.000 0.317 291 M C 0.555 176.871 176.300 0.026 0.000 1.179 291 M CA -0.781 54.531 55.300 0.020 0.000 0.936 291 M CB 1.939 34.621 32.600 0.137 0.000 1.713 291 M HN -0.083 nan 8.290 nan 0.000 0.460 292 I N 2.686 123.258 120.570 0.004 0.000 2.331 292 I HA 0.235 4.405 4.170 -0.000 0.000 0.292 292 I C -0.476 175.590 176.117 -0.085 0.000 0.998 292 I CA -0.830 60.438 61.300 -0.054 0.000 1.267 292 I CB 1.197 39.130 38.000 -0.113 0.000 1.386 292 I HN 0.379 nan 8.210 nan 0.000 0.476 293 L N 7.635 128.814 121.223 -0.074 0.000 2.264 293 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 293 L C -0.391 176.391 176.870 -0.147 0.000 1.039 293 L CA -0.141 54.663 54.840 -0.059 0.000 0.829 293 L CB 0.230 42.298 42.059 0.014 0.000 1.211 293 L HN 0.467 nan 8.230 nan 0.000 0.427 294 H N 5.032 123.909 119.070 -0.322 0.000 2.604 294 H HA 0.385 4.941 4.556 -0.000 0.000 0.306 294 H C -0.944 174.276 175.328 -0.181 0.000 1.075 294 H CA -0.509 55.299 56.048 -0.401 0.000 1.357 294 H CB 0.857 30.159 29.762 -0.767 0.000 1.426 294 H HN 0.582 nan 8.280 nan 0.000 0.470 295 L N 7.056 128.131 121.223 -0.246 0.000 2.282 295 L HA 0.204 4.544 4.340 -0.000 0.000 0.288 295 L C -0.866 176.051 176.870 0.079 0.000 1.033 295 L CA -0.399 54.411 54.840 -0.049 0.000 0.807 295 L CB 0.818 42.838 42.059 -0.064 0.000 1.209 295 L HN 0.831 nan 8.230 nan 0.000 0.423 296 H N 6.106 125.213 119.070 0.061 0.000 2.597 296 H HA 0.211 4.767 4.556 -0.000 0.000 0.303 296 H C 0.358 175.636 175.328 -0.084 0.000 1.057 296 H CA -0.615 55.444 56.048 0.018 0.000 1.261 296 H CB 0.774 30.549 29.762 0.021 0.000 1.397 296 H HN 0.677 nan 8.280 nan 0.000 0.461 297 R N 3.533 123.801 120.500 -0.386 0.000 3.441 297 R HA 0.237 4.577 4.340 -0.000 0.000 0.225 297 R C -0.003 176.105 176.300 -0.320 0.000 1.756 297 R CA -0.147 55.766 56.100 -0.311 0.000 1.504 297 R CB -0.348 29.740 30.300 -0.352 0.000 1.183 297 R HN 0.305 nan 8.270 nan 0.000 0.567 298 A N 0.782 123.346 122.820 -0.427 0.000 2.520 298 A HA 0.410 4.730 4.320 -0.000 0.000 0.245 298 A C 1.515 179.040 177.584 -0.099 0.000 1.072 298 A CA 0.499 52.382 52.037 -0.257 0.000 0.761 298 A CB -0.175 18.761 19.000 -0.105 0.000 1.004 298 A HN 0.752 nan 8.150 nan 0.000 0.499 299 G N 1.973 110.715 108.800 -0.096 0.000 2.217 299 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.246 299 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.246 299 G C 0.774 175.529 174.900 -0.241 0.000 0.990 299 G CA 1.381 46.403 45.100 -0.130 0.000 0.627 299 G HN 1.935 nan 8.290 nan 0.000 0.522 300 H N -0.796 118.094 119.070 -0.299 0.000 2.390 300 H HA 0.131 4.687 4.556 -0.000 0.000 0.298 300 H C 2.586 177.497 175.328 -0.695 0.000 1.106 300 H CA 1.835 57.599 56.048 -0.473 0.000 1.297 300 H CB -0.762 28.901 29.762 -0.166 0.000 1.375 300 H HN 0.540 nan 8.280 nan 0.000 0.509 301 G N 0.307 108.400 108.800 -1.178 0.000 2.532 301 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.222 301 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.222 301 G C 1.809 176.403 174.900 -0.510 0.000 1.102 301 G CA 1.658 46.262 45.100 -0.827 0.000 0.742 301 G HN 0.723 nan 8.290 nan 0.000 0.577 302 T N -1.360 112.881 114.554 -0.522 0.000 2.849 302 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 302 T C 1.959 176.564 174.700 -0.159 0.000 1.066 302 T CA 1.732 63.659 62.100 -0.288 0.000 1.130 302 T CB -0.420 68.344 68.868 -0.173 0.000 0.864 302 T HN 0.739 nan 8.240 nan 0.000 0.481 303 Y N -0.156 120.145 120.300 0.001 0.000 2.425 303 Y HA 0.420 4.970 4.550 -0.000 0.000 0.261 303 Y C 1.973 177.915 175.900 0.069 0.000 1.084 303 Y CA -0.120 58.010 58.100 0.050 0.000 1.248 303 Y CB -0.290 38.195 38.460 0.041 0.000 1.270 303 Y HN 0.228 nan 8.280 nan 0.000 0.524 304 T N -2.270 112.289 114.554 0.009 0.000 3.188 304 T HA 0.238 4.587 4.350 -0.000 0.000 0.250 304 T C 1.413 176.155 174.700 0.069 0.000 1.077 304 T CA 0.268 62.458 62.100 0.151 0.000 0.967 304 T CB 0.178 69.216 68.868 0.282 0.000 1.006 304 T HN 0.185 nan 8.240 nan 0.000 0.552 305 R N 1.058 121.556 120.500 -0.004 0.000 2.072 305 R HA 0.301 4.641 4.340 -0.000 0.000 0.214 305 R C 0.459 176.793 176.300 0.057 0.000 1.168 305 R CA 0.677 56.776 56.100 -0.002 0.000 1.020 305 R CB -0.409 29.849 30.300 -0.070 0.000 0.914 305 R HN 0.210 nan 8.270 nan 0.000 0.449 306 Q N 1.382 121.227 119.800 0.074 0.000 2.296 306 Q HA 0.147 4.487 4.340 -0.000 0.000 0.263 306 Q C -0.908 175.167 176.000 0.126 0.000 1.026 306 Q CA 0.361 56.220 55.803 0.093 0.000 0.912 306 Q CB 1.325 30.120 28.738 0.095 0.000 1.198 306 Q HN -0.065 nan 8.270 nan 0.000 0.407 307 K N 3.452 123.916 120.400 0.106 0.000 2.449 307 K HA 0.081 4.401 4.320 -0.000 0.000 0.237 307 K C 0.173 176.826 176.600 0.088 0.000 1.265 307 K CA 0.061 56.414 56.287 0.111 0.000 1.193 307 K CB -0.247 32.314 32.500 0.102 0.000 1.515 307 K HN 0.676 nan 8.250 nan 0.000 0.259 308 N N -1.137 117.633 118.700 0.117 0.000 2.004 308 N HA -0.088 4.652 4.740 -0.000 0.000 0.282 308 N C -0.854 174.773 175.510 0.194 0.000 1.294 308 N CA -0.284 52.827 53.050 0.101 0.000 0.738 308 N CB 0.158 38.687 38.487 0.070 0.000 1.528 308 N HN 0.375 nan 8.380 nan 0.000 0.642 309 H N -0.185 118.971 119.070 0.143 0.000 3.086 309 H HA 0.594 5.150 4.556 -0.000 0.000 0.353 309 H C 0.061 175.549 175.328 0.267 0.000 1.134 309 H CA 0.800 56.986 56.048 0.231 0.000 1.248 309 H CB 1.642 31.518 29.762 0.190 0.000 1.878 309 H HN 0.523 nan 8.280 nan 0.000 0.527 310 G N 1.143 110.094 108.800 0.252 0.000 2.295 310 G HA2 0.096 4.056 3.960 -0.000 0.000 0.195 310 G HA3 0.096 4.056 3.960 -0.000 0.000 0.195 310 G C -1.820 173.187 174.900 0.179 0.000 1.269 310 G CA -0.307 44.931 45.100 0.229 0.000 1.170 310 G HN 0.814 nan 8.290 nan 0.000 0.511 311 V N 0.453 120.463 119.914 0.160 0.000 2.623 311 V HA 0.659 4.779 4.120 -0.000 0.000 0.304 311 V C 0.622 176.792 176.094 0.125 0.000 1.054 311 V CA 0.036 62.378 62.300 0.070 0.000 0.882 311 V CB 1.425 33.188 31.823 -0.100 0.000 1.002 311 V HN 1.355 nan 8.190 nan 0.000 0.424 312 S N 2.826 118.566 115.700 0.068 0.000 2.549 312 S HA 0.153 4.623 4.470 -0.000 0.000 0.283 312 S C 0.913 175.540 174.600 0.045 0.000 1.320 312 S CA -0.161 58.114 58.200 0.126 0.000 1.058 312 S CB 0.107 63.397 63.200 0.150 0.000 0.882 312 S HN 0.651 nan 8.310 nan 0.000 0.498 313 F N 5.932 125.825 119.950 -0.095 0.000 2.192 313 F HA -0.155 4.372 4.527 -0.000 0.000 0.301 313 F C 2.309 177.851 175.800 -0.431 0.000 1.079 313 F CA 2.188 59.988 58.000 -0.333 0.000 1.303 313 F CB -0.221 38.403 39.000 -0.627 0.000 1.024 313 F HN 0.827 nan 8.300 nan 0.000 0.494 314 R N -0.405 119.915 120.500 -0.299 0.000 2.127 314 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 314 R C 1.818 177.956 176.300 -0.270 0.000 1.134 314 R CA 1.959 58.001 56.100 -0.097 0.000 0.975 314 R CB -1.483 29.028 30.300 0.351 0.000 0.865 314 R HN 0.297 nan 8.270 nan 0.000 0.447 315 V N 1.843 121.538 119.914 -0.365 0.000 2.323 315 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 315 V C 2.580 178.118 176.094 -0.927 0.000 1.041 315 V CA 1.363 63.288 62.300 -0.625 0.000 1.025 315 V CB -0.382 31.000 31.823 -0.736 0.000 0.656 315 V HN 0.253 nan 8.190 nan 0.000 0.451 316 I N 0.936 121.030 120.570 -0.793 0.000 2.248 316 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 316 I C 2.690 178.533 176.117 -0.456 0.000 1.107 316 I CA 2.082 63.082 61.300 -0.501 0.000 1.373 316 I CB -1.645 36.187 38.000 -0.280 0.000 1.055 316 I HN 0.331 nan 8.210 nan 0.000 0.418 317 A N 0.816 123.167 122.820 -0.782 0.000 1.902 317 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 317 A C 2.382 179.839 177.584 -0.213 0.000 1.181 317 A CA 1.392 53.085 52.037 -0.573 0.000 0.623 317 A CB -0.418 18.216 19.000 -0.609 0.000 0.818 317 A HN 0.363 nan 8.150 nan 0.000 0.443 318 K N -1.233 119.106 120.400 -0.101 0.000 2.026 318 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 318 K C 1.903 178.636 176.600 0.222 0.000 1.048 318 K CA 1.480 57.923 56.287 0.260 0.000 0.929 318 K CB -0.296 32.474 32.500 0.451 0.000 0.713 318 K HN 0.665 nan 8.250 nan 0.000 0.439 319 W N 1.530 122.774 121.300 -0.093 0.000 2.333 319 W HA -0.120 4.540 4.660 -0.000 0.000 0.316 319 W C 1.989 178.401 176.519 -0.179 0.000 1.215 319 W CA 0.693 57.856 57.345 -0.303 0.000 1.278 319 W CB -1.163 27.967 29.460 -0.551 0.000 1.154 319 W HN 0.038 nan 8.180 nan 0.000 0.486 320 L N -0.212 121.144 121.223 0.222 0.000 2.079 320 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 320 L C 2.725 179.606 176.870 0.019 0.000 1.081 320 L CA 1.650 56.598 54.840 0.179 0.000 0.752 320 L CB -0.753 41.370 42.059 0.108 0.000 0.896 320 L HN -0.022 nan 8.230 nan 0.000 0.433 321 R N 0.467 120.923 120.500 -0.073 0.000 2.075 321 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 321 R C 2.345 178.573 176.300 -0.120 0.000 1.126 321 R CA 1.180 57.175 56.100 -0.175 0.000 0.963 321 R CB -0.155 29.890 30.300 -0.426 0.000 0.858 321 R HN 0.285 nan 8.270 nan 0.000 0.435 322 L N 0.362 121.503 121.223 -0.138 0.000 2.083 322 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 322 L C 2.717 179.519 176.870 -0.113 0.000 1.083 322 L CA 1.307 55.963 54.840 -0.306 0.000 0.752 322 L CB -0.586 40.911 42.059 -0.936 0.000 0.899 322 L HN 0.328 nan 8.230 nan 0.000 0.433 323 A N -0.334 122.465 122.820 -0.035 0.000 1.933 323 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 323 A C 1.791 179.433 177.584 0.098 0.000 1.175 323 A CA 1.659 53.759 52.037 0.104 0.000 0.628 323 A CB -0.614 18.493 19.000 0.178 0.000 0.814 323 A HN 0.590 nan 8.150 nan 0.000 0.444 324 G N -2.429 106.399 108.800 0.048 0.000 2.147 324 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.128 324 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.128 324 G C -0.029 174.883 174.900 0.021 0.000 1.026 324 G CA -0.138 44.984 45.100 0.037 0.000 0.693 324 G HN 0.734 nan 8.290 nan 0.000 0.499 325 V N 0.668 120.584 119.914 0.002 0.000 2.811 325 V HA 0.320 4.440 4.120 -0.000 0.000 0.302 325 V C 1.090 177.158 176.094 -0.043 0.000 1.063 325 V CA 0.522 62.810 62.300 -0.020 0.000 1.088 325 V CB 1.411 33.215 31.823 -0.031 0.000 0.982 325 V HN 0.252 nan 8.190 nan 0.000 0.485 326 D N -0.223 120.150 120.400 -0.044 0.000 2.379 326 D HA 0.129 4.769 4.640 -0.000 0.000 0.218 326 D C 0.534 176.880 176.300 0.077 0.000 1.006 326 D CA 0.838 54.837 54.000 -0.002 0.000 0.893 326 D CB 0.303 41.104 40.800 0.002 0.000 1.019 326 D HN 0.672 nan 8.370 nan 0.000 0.503 327 H N -0.439 118.461 119.070 -0.284 0.000 2.572 327 H HA 0.517 5.073 4.556 -0.000 0.000 0.359 327 H C -0.712 174.326 175.328 -0.482 0.000 1.134 327 H CA -0.645 55.141 56.048 -0.436 0.000 1.187 327 H CB 2.745 32.089 29.762 -0.696 0.000 1.597 327 H HN -0.130 nan 8.280 nan 0.000 0.524 328 M N 2.939 122.332 119.600 -0.345 0.000 2.277 328 M HA 0.188 4.668 4.480 -0.000 0.000 0.282 328 M C -1.411 174.714 176.300 -0.291 0.000 1.074 328 M CA -0.604 54.543 55.300 -0.255 0.000 0.954 328 M CB 1.821 34.325 32.600 -0.161 0.000 1.672 328 M HN 0.696 nan 8.290 nan 0.000 0.471 329 H N 3.862 122.781 119.070 -0.252 0.000 3.026 329 H HA 0.121 4.677 4.556 -0.000 0.000 0.289 329 H C 0.722 175.863 175.328 -0.312 0.000 1.022 329 H CA 1.132 57.017 56.048 -0.272 0.000 1.477 329 H CB 0.842 30.446 29.762 -0.264 0.000 1.510 329 H HN 0.783 nan 8.280 nan 0.000 0.535 330 T N 0.505 114.893 114.554 -0.277 0.000 3.056 330 T HA 0.342 4.692 4.350 -0.000 0.000 0.241 330 T C 1.018 175.668 174.700 -0.084 0.000 1.006 330 T CA 0.196 62.163 62.100 -0.222 0.000 1.115 330 T CB 1.025 69.566 68.868 -0.545 0.000 0.939 330 T HN 0.751 nan 8.240 nan 0.000 0.462 331 G N -0.200 108.575 108.800 -0.041 0.000 2.329 331 G HA2 0.287 4.247 3.960 -0.000 0.000 0.308 331 G HA3 0.287 4.247 3.960 -0.000 0.000 0.308 331 G C 0.184 175.169 174.900 0.141 0.000 1.587 331 G CA 0.109 45.261 45.100 0.086 0.000 0.978 331 G HN 0.082 nan 8.290 nan 0.000 0.685 332 T N -0.135 114.511 114.554 0.153 0.000 2.978 332 T HA 0.450 4.800 4.350 -0.000 0.000 0.262 332 T C 1.473 176.379 174.700 0.343 0.000 1.063 332 T CA 2.333 64.561 62.100 0.214 0.000 1.140 332 T CB -0.765 68.176 68.868 0.122 0.000 0.886 332 T HN 2.674 nan 8.240 nan 0.000 0.470 333 A N -0.347 122.624 122.820 0.252 0.000 1.616 333 A HA 0.020 4.340 4.320 -0.000 0.000 0.208 333 A C 1.306 178.932 177.584 0.071 0.000 1.293 333 A CA 0.578 52.725 52.037 0.183 0.000 0.657 333 A CB -2.100 17.058 19.000 0.263 0.000 1.154 333 A HN 1.331 nan 8.150 nan 0.000 0.202 334 V N 1.046 120.988 119.914 0.046 0.000 0.429 334 V HA -0.419 3.701 4.120 -0.000 0.000 0.092 334 V C 2.573 178.676 176.094 0.015 0.000 2.611 334 V CA 3.757 66.066 62.300 0.014 0.000 3.746 334 V CB -1.352 30.456 31.823 -0.024 0.000 1.016 334 V HN 2.704 nan 8.190 nan 0.000 1.067 335 G N -0.428 108.380 108.800 0.013 0.000 2.485 335 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.221 335 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.221 335 G C 0.700 175.627 174.900 0.046 0.000 1.115 335 G CA 1.676 46.782 45.100 0.010 0.000 0.751 335 G HN 0.707 nan 8.290 nan 0.000 0.567 336 K N -0.933 119.502 120.400 0.059 0.000 2.548 336 K HA 0.308 4.628 4.320 -0.000 0.000 0.282 336 K C -1.145 175.490 176.600 0.058 0.000 1.006 336 K CA -0.912 55.414 56.287 0.065 0.000 0.892 336 K CB 0.939 33.482 32.500 0.070 0.000 1.499 336 K HN -0.154 nan 8.250 nan 0.000 0.433 337 L N 3.650 124.904 121.223 0.051 0.000 2.600 337 L HA 0.094 4.434 4.340 -0.000 0.000 0.278 337 L C 0.851 177.747 176.870 0.043 0.000 1.139 337 L CA 1.105 55.971 54.840 0.043 0.000 0.933 337 L CB -0.309 41.771 42.059 0.035 0.000 1.266 337 L HN 0.888 nan 8.230 nan 0.000 0.471 338 E N 1.796 122.027 120.200 0.052 0.000 3.706 338 E HA 0.411 4.761 4.350 -0.000 0.000 0.266 338 E C 0.227 176.874 176.600 0.078 0.000 1.251 338 E CA 0.552 56.987 56.400 0.059 0.000 1.870 338 E CB 0.819 30.562 29.700 0.071 0.000 1.842 338 E HN 0.571 nan 8.360 nan 0.000 0.862 339 G N 0.032 108.886 108.800 0.090 0.000 2.550 339 G HA2 0.336 4.296 3.960 -0.000 0.000 0.293 339 G HA3 0.336 4.296 3.960 -0.000 0.000 0.293 339 G C -1.764 173.177 174.900 0.070 0.000 1.402 339 G CA -0.312 44.846 45.100 0.097 0.000 0.784 339 G HN 0.114 nan 8.290 nan 0.000 0.482 340 D N 0.211 120.640 120.400 0.048 0.000 2.425 340 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 340 D C -1.026 175.271 176.300 -0.005 0.000 1.147 340 D CA -1.173 52.836 54.000 0.016 0.000 0.879 340 D CB 1.679 42.483 40.800 0.007 0.000 1.179 340 D HN -0.032 nan 8.370 nan 0.000 0.456 341 P HA -0.221 nan 4.420 nan 0.000 0.216 341 P C 1.505 178.777 177.300 -0.046 0.000 1.167 341 P CA 1.331 64.415 63.100 -0.026 0.000 0.914 341 P CB 0.092 31.763 31.700 -0.048 0.000 0.793 342 L N -1.606 119.583 121.223 -0.057 0.000 2.012 342 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 342 L C 2.379 179.180 176.870 -0.116 0.000 1.073 342 L CA 2.120 56.917 54.840 -0.070 0.000 0.748 342 L CB -1.726 40.297 42.059 -0.060 0.000 0.891 342 L HN 0.064 nan 8.230 nan 0.000 0.431 343 T N -0.560 113.903 114.554 -0.151 0.000 2.759 343 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 343 T C 1.983 176.305 174.700 -0.630 0.000 1.042 343 T CA 1.345 63.257 62.100 -0.314 0.000 1.140 343 T CB -0.279 68.456 68.868 -0.221 0.000 0.864 343 T HN 0.078 nan 8.240 nan 0.000 0.455 344 V N 1.541 121.260 119.914 -0.324 0.000 2.427 344 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 344 V C 2.587 178.735 176.094 0.090 0.000 1.051 344 V CA 1.563 63.801 62.300 -0.103 0.000 1.048 344 V CB -0.665 31.259 31.823 0.168 0.000 0.666 344 V HN 0.528 nan 8.190 nan 0.000 0.456 345 Q N 0.004 119.809 119.800 0.010 0.000 2.224 345 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 345 Q C 2.380 178.441 176.000 0.101 0.000 0.970 345 Q CA 1.417 57.258 55.803 0.064 0.000 0.865 345 Q CB -0.446 28.286 28.738 -0.010 0.000 0.922 345 Q HN 0.731 nan 8.270 nan 0.000 0.445 346 G N 0.244 109.029 108.800 -0.025 0.000 2.421 346 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 346 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 346 G C 0.895 175.917 174.900 0.205 0.000 1.171 346 G CA 0.702 45.817 45.100 0.026 0.000 0.775 346 G HN 0.247 nan 8.290 nan 0.000 0.543 347 Y N -0.019 120.406 120.300 0.208 0.000 2.097 347 Y HA -0.075 4.475 4.550 -0.000 0.000 0.282 347 Y C 2.639 178.626 175.900 0.145 0.000 1.152 347 Y CA 0.298 58.516 58.100 0.197 0.000 1.136 347 Y CB -1.365 37.279 38.460 0.306 0.000 0.975 347 Y HN 0.238 nan 8.280 nan 0.000 0.498 348 Y N 0.478 120.891 120.300 0.187 0.000 2.207 348 Y HA -0.240 4.310 4.550 -0.000 0.000 0.287 348 Y C 2.277 178.208 175.900 0.051 0.000 1.156 348 Y CA 1.497 59.638 58.100 0.068 0.000 1.182 348 Y CB -0.698 37.794 38.460 0.053 0.000 0.979 348 Y HN 0.141 nan 8.280 nan 0.000 0.521 349 N N -0.420 118.423 118.700 0.239 0.000 2.084 349 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 349 N C 2.031 177.622 175.510 0.135 0.000 1.030 349 N CA 1.420 54.570 53.050 0.167 0.000 0.849 349 N CB -0.784 37.798 38.487 0.159 0.000 1.012 349 N HN 0.136 nan 8.380 nan 0.000 0.423 350 V N 0.562 120.571 119.914 0.158 0.000 2.453 350 V HA -0.281 3.839 4.120 -0.000 0.000 0.252 350 V C 2.303 178.294 176.094 -0.171 0.000 1.068 350 V CA 1.296 63.681 62.300 0.142 0.000 1.070 350 V CB -0.595 31.322 31.823 0.157 0.000 0.664 350 V HN 0.390 nan 8.190 nan 0.000 0.461 351 C N -0.611 118.598 119.300 -0.152 0.000 2.505 351 C HA 0.031 4.491 4.460 -0.000 0.000 0.279 351 C C 2.552 177.392 174.990 -0.250 0.000 1.316 351 C CA 0.397 59.260 59.018 -0.259 0.000 1.720 351 C CB -0.897 26.706 27.740 -0.227 0.000 2.050 351 C HN 0.510 nan 8.230 nan 0.000 0.493 352 R N 0.277 120.702 120.500 -0.126 0.000 2.397 352 R HA 0.125 4.465 4.340 -0.000 0.000 0.241 352 R C -0.704 175.579 176.300 -0.028 0.000 0.914 352 R CA -0.058 55.999 56.100 -0.072 0.000 1.071 352 R CB 0.049 30.352 30.300 0.006 0.000 1.116 352 R HN 0.458 nan 8.270 nan 0.000 0.524 353 D N 0.408 120.801 120.400 -0.011 0.000 2.345 353 D HA 0.132 4.772 4.640 -0.000 0.000 0.247 353 D C 0.712 177.105 176.300 0.156 0.000 1.108 353 D CA 0.037 54.108 54.000 0.118 0.000 0.894 353 D CB 1.594 42.540 40.800 0.243 0.000 1.203 353 D HN 0.061 nan 8.370 nan 0.000 0.430 354 A N 2.540 125.494 122.820 0.223 0.000 1.984 354 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 354 A C 0.229 178.072 177.584 0.431 0.000 1.173 354 A CA 0.700 52.896 52.037 0.265 0.000 0.673 354 A CB -0.020 19.098 19.000 0.196 0.000 0.830 354 A HN 0.580 nan 8.150 nan 0.000 0.453 355 Y N 0.174 120.637 120.300 0.272 0.000 2.287 355 Y HA 0.344 4.894 4.550 -0.000 0.000 0.325 355 Y C -0.811 175.209 175.900 0.201 0.000 1.139 355 Y CA -0.595 57.634 58.100 0.214 0.000 1.167 355 Y CB 1.039 39.569 38.460 0.118 0.000 1.158 355 Y HN -0.051 nan 8.280 nan 0.000 0.434 356 T N 5.951 120.525 114.554 0.035 0.000 2.752 356 T HA 0.175 4.525 4.350 -0.000 0.000 0.295 356 T C -0.249 174.455 174.700 0.007 0.000 0.923 356 T CA -0.091 62.069 62.100 0.101 0.000 1.112 356 T CB 0.437 69.413 68.868 0.180 0.000 0.884 356 T HN 0.589 nan 8.240 nan 0.000 0.525 357 Q N 1.940 121.838 119.800 0.163 0.000 2.235 357 Q HA 0.277 4.617 4.340 -0.000 0.000 0.250 357 Q C 0.230 176.278 176.000 0.081 0.000 0.909 357 Q CA -0.580 55.331 55.803 0.179 0.000 0.910 357 Q CB 0.908 29.769 28.738 0.205 0.000 1.223 357 Q HN 0.535 nan 8.270 nan 0.000 0.432 358 T N 2.430 117.021 114.554 0.062 0.000 2.905 358 T HA -0.026 4.324 4.350 -0.000 0.000 0.299 358 T C -0.305 174.368 174.700 -0.046 0.000 1.024 358 T CA 0.560 62.657 62.100 -0.006 0.000 1.151 358 T CB 0.019 68.885 68.868 -0.003 0.000 0.987 358 T HN 0.425 nan 8.240 nan 0.000 0.535 359 D N 3.140 123.472 120.400 -0.114 0.000 2.337 359 D HA 0.154 4.794 4.640 -0.000 0.000 0.238 359 D C 0.990 177.144 176.300 -0.244 0.000 1.331 359 D CA -0.447 53.476 54.000 -0.129 0.000 0.967 359 D CB 0.421 41.179 40.800 -0.069 0.000 1.382 359 D HN 0.357 nan 8.370 nan 0.000 0.549 360 L N 1.432 122.470 121.223 -0.307 0.000 2.187 360 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 360 L C 2.473 179.158 176.870 -0.308 0.000 1.100 360 L CA 1.823 56.389 54.840 -0.457 0.000 0.765 360 L CB -0.503 41.336 42.059 -0.366 0.000 0.904 360 L HN 0.451 nan 8.230 nan 0.000 0.437 361 T N -2.864 111.582 114.554 -0.182 0.000 2.857 361 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 361 T C 1.796 176.429 174.700 -0.112 0.000 1.048 361 T CA 0.638 62.668 62.100 -0.116 0.000 1.139 361 T CB -0.209 68.614 68.868 -0.076 0.000 0.874 361 T HN 0.295 nan 8.240 nan 0.000 0.455 362 R N 0.920 121.345 120.500 -0.124 0.000 2.391 362 R HA 0.384 4.724 4.340 -0.000 0.000 0.249 362 R C 1.651 177.879 176.300 -0.120 0.000 0.957 362 R CA 0.302 56.337 56.100 -0.108 0.000 1.093 362 R CB -0.060 30.195 30.300 -0.074 0.000 1.156 362 R HN 0.603 nan 8.270 nan 0.000 0.526 363 G N 1.161 109.855 108.800 -0.178 0.000 2.168 363 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.263 363 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.263 363 G C 0.130 174.921 174.900 -0.182 0.000 0.977 363 G CA -0.098 44.909 45.100 -0.156 0.000 0.659 363 G HN 0.259 nan 8.290 nan 0.000 0.533 364 L N 0.532 121.619 121.223 -0.226 0.000 2.342 364 L HA 0.457 4.797 4.340 -0.000 0.000 0.285 364 L C 1.315 178.002 176.870 -0.305 0.000 1.095 364 L CA -0.728 54.038 54.840 -0.124 0.000 0.843 364 L CB 0.201 42.232 42.059 -0.046 0.000 1.201 364 L HN 0.048 nan 8.230 nan 0.000 0.445 365 F N 1.880 121.662 119.950 -0.280 0.000 2.569 365 F HA 0.183 4.710 4.527 0.000 0.000 0.295 365 F C 0.501 175.936 175.800 -0.609 0.000 1.115 365 F CA 0.197 57.880 58.000 -0.529 0.000 1.450 365 F CB 0.130 38.612 39.000 -0.863 0.000 1.107 365 F HN 0.198 nan 8.300 nan 0.000 0.563 366 F N -0.584 119.418 119.950 0.086 0.000 2.593 366 F HA 0.335 4.862 4.527 -0.000 0.000 0.320 366 F C -0.095 175.667 175.800 -0.063 0.000 1.060 366 F CA -1.893 56.114 58.000 0.012 0.000 0.940 366 F CB 0.764 39.734 39.000 -0.049 0.000 1.268 366 F HN -0.343 nan 8.300 nan 0.000 0.475 367 D N 1.583 122.069 120.400 0.144 0.000 2.277 367 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 367 D C -0.749 175.395 176.300 -0.260 0.000 1.134 367 D CA 0.005 53.979 54.000 -0.042 0.000 0.863 367 D CB 1.741 42.589 40.800 0.079 0.000 1.143 367 D HN 0.348 nan 8.370 nan 0.000 0.458 368 Q N 2.285 121.789 119.800 -0.494 0.000 2.357 368 Q HA 0.155 4.495 4.340 -0.000 0.000 0.266 368 Q C -1.376 174.044 176.000 -0.966 0.000 1.021 368 Q CA -0.700 54.696 55.803 -0.680 0.000 0.784 368 Q CB 1.150 29.464 28.738 -0.706 0.000 1.243 368 Q HN 0.182 nan 8.270 nan 0.000 0.465 369 D N 3.208 123.160 120.400 -0.747 0.000 2.295 369 D HA 0.094 4.734 4.640 -0.000 0.000 0.248 369 D C -0.449 175.673 176.300 -0.296 0.000 1.154 369 D CA -0.237 53.510 54.000 -0.422 0.000 0.857 369 D CB 0.549 41.338 40.800 -0.018 0.000 1.117 369 D HN 0.713 nan 8.370 nan 0.000 0.468 370 W N 3.090 124.399 121.300 0.015 0.000 3.438 370 W HA 0.290 4.950 4.660 -0.000 0.000 0.322 370 W C 1.531 178.086 176.519 0.059 0.000 1.261 370 W CA -0.162 57.207 57.345 0.039 0.000 1.788 370 W CB -0.234 29.244 29.460 0.030 0.000 1.065 370 W HN 0.645 nan 8.180 nan 0.000 0.715 371 A N 0.665 123.618 122.820 0.222 0.000 2.500 371 A HA -0.308 4.012 4.320 -0.000 0.000 0.296 371 A C 1.328 179.011 177.584 0.165 0.000 1.469 371 A CA 1.300 53.441 52.037 0.172 0.000 0.793 371 A CB -1.736 17.344 19.000 0.133 0.000 1.042 371 A HN 0.711 nan 8.150 nan 0.000 0.409 372 S N -3.430 112.378 115.700 0.181 0.000 3.361 372 S HA -0.189 4.281 4.470 -0.000 0.000 0.288 372 S C 0.336 175.006 174.600 0.117 0.000 1.269 372 S CA 1.009 59.290 58.200 0.135 0.000 0.976 372 S CB -2.017 61.242 63.200 0.100 0.000 1.162 372 S HN 1.021 nan 8.310 nan 0.000 0.643 373 L N 1.880 123.193 121.223 0.150 0.000 2.416 373 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 373 L C 1.226 178.112 176.870 0.027 0.000 1.161 373 L CA -0.083 54.815 54.840 0.097 0.000 0.845 373 L CB 0.307 42.447 42.059 0.134 0.000 1.119 373 L HN 0.257 nan 8.230 nan 0.000 0.464 374 R N 2.749 123.252 120.500 0.003 0.000 2.698 374 R HA 0.048 4.388 4.340 -0.000 0.000 0.266 374 R C -0.284 175.964 176.300 -0.087 0.000 1.026 374 R CA -0.050 56.037 56.100 -0.021 0.000 1.102 374 R CB 0.212 30.508 30.300 -0.007 0.000 0.978 374 R HN 0.458 nan 8.270 nan 0.000 0.436 375 K N 1.192 121.542 120.400 -0.084 0.000 2.237 375 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 375 K C -0.389 176.133 176.600 -0.130 0.000 1.015 375 K CA -0.489 55.714 56.287 -0.139 0.000 0.949 375 K CB 1.038 33.485 32.500 -0.089 0.000 0.976 375 K HN 0.181 nan 8.250 nan 0.000 0.472 376 V N 3.591 123.393 119.914 -0.186 0.000 2.567 376 V HA 0.166 4.286 4.120 -0.000 0.000 0.289 376 V C 0.285 176.270 176.094 -0.181 0.000 1.049 376 V CA -0.693 61.505 62.300 -0.170 0.000 0.969 376 V CB 1.417 33.113 31.823 -0.212 0.000 0.995 376 V HN 0.704 nan 8.190 nan 0.000 0.471 377 M N 5.959 125.447 119.600 -0.186 0.000 2.105 377 M HA 0.339 4.819 4.480 -0.000 0.000 0.350 377 M C -2.519 173.548 176.300 -0.389 0.000 1.308 377 M CA -1.915 53.217 55.300 -0.280 0.000 1.108 377 M CB 0.986 33.346 32.600 -0.402 0.000 1.622 377 M HN 0.333 nan 8.290 nan 0.000 0.468 378 P HA 0.224 nan 4.420 nan 0.000 0.274 378 P C -0.901 176.074 177.300 -0.541 0.000 1.237 378 P CA -0.419 62.323 63.100 -0.596 0.000 0.793 378 P CB 0.856 31.949 31.700 -1.012 0.000 0.977 379 V N 1.710 121.285 119.914 -0.566 0.000 2.443 379 V HA 0.542 4.662 4.120 -0.000 0.000 0.293 379 V C -0.047 175.801 176.094 -0.410 0.000 1.021 379 V CA -0.832 61.162 62.300 -0.510 0.000 0.848 379 V CB 1.346 32.710 31.823 -0.765 0.000 0.998 379 V HN 0.607 nan 8.190 nan 0.000 0.424 380 A N 3.729 126.381 122.820 -0.280 0.000 2.302 380 A HA 0.763 5.083 4.320 -0.000 0.000 0.295 380 A C 0.158 177.671 177.584 -0.117 0.000 1.235 380 A CA -0.048 51.886 52.037 -0.172 0.000 0.876 380 A CB 0.766 19.685 19.000 -0.134 0.000 1.133 380 A HN 0.765 nan 8.150 nan 0.000 0.533 381 S N 1.621 117.315 115.700 -0.011 0.000 2.570 381 S HA 0.917 5.387 4.470 -0.000 0.000 0.286 381 S C -0.028 174.602 174.600 0.050 0.000 1.099 381 S CA 0.412 58.647 58.200 0.058 0.000 0.913 381 S CB 1.544 64.905 63.200 0.269 0.000 1.085 381 S HN 2.418 nan 8.310 nan 0.000 0.480 382 G N 1.174 110.000 108.800 0.044 0.000 2.340 382 G HA2 0.295 4.255 3.960 -0.000 0.000 0.282 382 G HA3 0.295 4.255 3.960 -0.000 0.000 0.282 382 G C -0.034 174.897 174.900 0.052 0.000 1.312 382 G CA -0.245 44.884 45.100 0.048 0.000 0.942 382 G HN 1.236 nan 8.290 nan 0.000 0.495 383 G N 0.747 109.585 108.800 0.063 0.000 2.852 383 G HA2 0.568 4.528 3.960 -0.000 0.000 0.280 383 G HA3 0.568 4.528 3.960 -0.000 0.000 0.280 383 G C 0.482 175.461 174.900 0.131 0.000 0.731 383 G CA 0.748 45.897 45.100 0.082 0.000 2.037 383 G HN 1.328 nan 8.290 nan 0.000 0.560 384 I N -0.672 119.984 120.570 0.143 0.000 2.957 384 I HA 0.961 5.130 4.170 -0.000 0.000 0.310 384 I C -0.343 175.989 176.117 0.359 0.000 1.063 384 I CA -1.642 59.773 61.300 0.193 0.000 1.033 384 I CB 2.529 40.593 38.000 0.107 0.000 1.230 384 I HN 0.500 nan 8.210 nan 0.000 0.447 385 H N 1.039 120.268 119.070 0.266 0.000 2.967 385 H HA 0.645 5.201 4.556 -0.000 0.000 0.318 385 H C 0.296 175.624 175.328 -0.001 0.000 1.375 385 H CA -0.429 55.632 56.048 0.022 0.000 1.132 385 H CB 1.134 30.847 29.762 -0.081 0.000 1.848 385 H HN 0.682 nan 8.280 nan 0.000 0.524 386 A N 0.830 123.560 122.820 -0.150 0.000 1.971 386 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 386 A C 2.383 179.989 177.584 0.035 0.000 1.182 386 A CA 2.584 54.556 52.037 -0.107 0.000 0.649 386 A CB -1.800 17.154 19.000 -0.076 0.000 0.818 386 A HN 0.998 nan 8.150 nan 0.000 0.458 387 G N -1.243 107.647 108.800 0.150 0.000 2.475 387 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 387 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 387 G C 1.486 176.448 174.900 0.104 0.000 1.125 387 G CA 1.155 46.364 45.100 0.181 0.000 0.755 387 G HN 0.682 nan 8.290 nan 0.000 0.565 388 Q N -1.010 118.676 119.800 -0.190 0.000 2.425 388 Q HA 0.259 4.599 4.340 -0.000 0.000 0.204 388 Q C 2.165 178.036 176.000 -0.214 0.000 0.933 388 Q CA -0.063 55.593 55.803 -0.244 0.000 0.939 388 Q CB -0.015 28.565 28.738 -0.263 0.000 1.044 388 Q HN 0.360 nan 8.270 nan 0.000 0.513 389 M N 1.018 120.630 119.600 0.021 0.000 2.405 389 M HA -0.335 4.145 4.480 -0.000 0.000 0.256 389 M C 1.858 178.181 176.300 0.038 0.000 1.067 389 M CA 2.595 57.952 55.300 0.095 0.000 1.073 389 M CB -0.680 32.008 32.600 0.146 0.000 1.273 389 M HN 0.540 nan 8.290 nan 0.000 0.443 390 H N -2.205 116.875 119.070 0.016 0.000 2.390 390 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 390 H C 1.801 177.123 175.328 -0.009 0.000 1.106 390 H CA 1.822 57.875 56.048 0.009 0.000 1.297 390 H CB -0.786 28.973 29.762 -0.005 0.000 1.375 390 H HN 0.649 nan 8.280 nan 0.000 0.509 391 Q N 0.755 120.205 119.800 -0.583 0.000 2.016 391 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 391 Q C 2.588 178.427 176.000 -0.268 0.000 0.978 391 Q CA 1.522 57.086 55.803 -0.398 0.000 0.833 391 Q CB -0.052 28.415 28.738 -0.450 0.000 0.895 391 Q HN 0.467 nan 8.270 nan 0.000 0.427 392 L N 0.591 121.671 121.223 -0.237 0.000 1.970 392 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 392 L C 2.386 179.166 176.870 -0.149 0.000 1.071 392 L CA 0.854 55.568 54.840 -0.210 0.000 0.751 392 L CB -0.693 41.394 42.059 0.046 0.000 0.889 392 L HN 0.286 nan 8.230 nan 0.000 0.432 393 I N -0.433 120.131 120.570 -0.010 0.000 2.236 393 I HA -0.373 3.797 4.170 -0.000 0.000 0.249 393 I C 2.613 178.725 176.117 -0.008 0.000 1.102 393 I CA 1.842 63.164 61.300 0.037 0.000 1.365 393 I CB -1.543 36.502 38.000 0.076 0.000 1.051 393 I HN 0.489 nan 8.210 nan 0.000 0.420 394 H N 0.830 119.822 119.070 -0.129 0.000 2.363 394 H HA -0.072 4.484 4.556 -0.000 0.000 0.301 394 H C 2.153 177.344 175.328 -0.228 0.000 1.074 394 H CA 1.081 57.046 56.048 -0.138 0.000 1.354 394 H CB 0.287 29.975 29.762 -0.123 0.000 1.397 394 H HN 0.115 nan 8.280 nan 0.000 0.516 395 L N -0.160 120.853 121.223 -0.350 0.000 2.179 395 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 395 L C 2.020 178.507 176.870 -0.638 0.000 1.096 395 L CA 1.178 55.640 54.840 -0.631 0.000 0.779 395 L CB -1.021 40.417 42.059 -1.035 0.000 0.922 395 L HN 0.261 nan 8.230 nan 0.000 0.443 396 F N -1.381 118.445 119.950 -0.206 0.000 2.592 396 F HA 0.406 4.933 4.527 -0.000 0.000 0.280 396 F C 1.659 177.416 175.800 -0.072 0.000 1.083 396 F CA 0.280 58.155 58.000 -0.209 0.000 1.365 396 F CB 0.110 39.004 39.000 -0.178 0.000 1.100 396 F HN 0.169 nan 8.300 nan 0.000 0.633 397 G N 1.162 110.028 108.800 0.111 0.000 2.508 397 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 397 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 397 G C -0.204 174.764 174.900 0.114 0.000 1.287 397 G CA 0.056 45.203 45.100 0.079 0.000 0.916 397 G HN 0.104 nan 8.290 nan 0.000 0.574 398 D N 0.804 121.260 120.400 0.092 0.000 2.137 398 D HA 0.076 4.716 4.640 -0.000 0.000 0.202 398 D C 0.622 176.973 176.300 0.084 0.000 0.970 398 D CA 1.219 55.272 54.000 0.088 0.000 0.837 398 D CB -0.160 40.688 40.800 0.080 0.000 0.981 398 D HN 0.372 nan 8.370 nan 0.000 0.475 399 D N 1.092 121.543 120.400 0.085 0.000 2.508 399 D HA 0.215 4.855 4.640 -0.000 0.000 0.224 399 D C -0.270 176.058 176.300 0.047 0.000 1.171 399 D CA 0.099 54.131 54.000 0.054 0.000 1.006 399 D CB 0.814 41.640 40.800 0.044 0.000 1.073 399 D HN -0.176 nan 8.370 nan 0.000 0.513 400 V N 1.117 121.045 119.914 0.023 0.000 3.108 400 V HA 0.236 4.355 4.120 -0.000 0.000 0.287 400 V C -1.471 174.594 176.094 -0.048 0.000 1.436 400 V CA -0.748 61.539 62.300 -0.023 0.000 1.001 400 V CB 2.455 34.340 31.823 0.102 0.000 1.141 400 V HN 0.011 nan 8.190 nan 0.000 0.443 401 V N 7.005 126.843 119.914 -0.126 0.000 2.333 401 V HA 0.441 4.561 4.120 -0.000 0.000 0.274 401 V C 0.144 176.186 176.094 -0.086 0.000 1.028 401 V CA -0.430 61.839 62.300 -0.052 0.000 0.851 401 V CB 1.250 33.055 31.823 -0.030 0.000 1.000 401 V HN 0.675 nan 8.190 nan 0.000 0.456 402 L N 4.879 126.054 121.223 -0.081 0.000 2.363 402 L HA 0.326 4.666 4.340 -0.000 0.000 0.286 402 L C 0.374 176.990 176.870 -0.423 0.000 1.106 402 L CA -0.088 54.568 54.840 -0.307 0.000 0.859 402 L CB 0.485 42.379 42.059 -0.275 0.000 1.223 402 L HN 0.629 nan 8.230 nan 0.000 0.446 403 Q N 3.483 123.067 119.800 -0.360 0.000 2.441 403 Q HA 0.313 4.653 4.340 -0.000 0.000 0.234 403 Q C -1.166 174.668 176.000 -0.276 0.000 1.078 403 Q CA -0.025 55.675 55.803 -0.172 0.000 0.907 403 Q CB 0.200 28.950 28.738 0.020 0.000 1.269 403 Q HN 0.268 nan 8.270 nan 0.000 0.502 404 F N 1.744 121.717 119.950 0.039 0.000 2.411 404 F HA 0.518 5.045 4.527 -0.000 0.000 0.350 404 F C 1.214 176.999 175.800 -0.025 0.000 1.114 404 F CA -0.227 57.767 58.000 -0.010 0.000 1.135 404 F CB 1.401 40.378 39.000 -0.039 0.000 1.120 404 F HN 0.604 nan 8.300 nan 0.000 0.495 405 G N 1.622 110.493 108.800 0.119 0.000 2.756 405 G HA2 0.238 4.198 3.960 -0.000 0.000 0.203 405 G HA3 0.238 4.198 3.960 -0.000 0.000 0.203 405 G C 1.624 176.517 174.900 -0.012 0.000 2.015 405 G CA 0.255 45.385 45.100 0.050 0.000 0.835 405 G HN 0.792 nan 8.290 nan 0.000 0.648 406 G N 0.637 109.406 108.800 -0.051 0.000 2.469 406 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.220 406 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.220 406 G C 1.761 176.469 174.900 -0.319 0.000 1.136 406 G CA 1.626 46.666 45.100 -0.100 0.000 0.759 406 G HN 0.799 nan 8.290 nan 0.000 0.562 407 G N -0.092 108.376 108.800 -0.554 0.000 2.450 407 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.220 407 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.220 407 G C 1.768 176.334 174.900 -0.557 0.000 1.130 407 G CA 1.854 46.304 45.100 -1.083 0.000 0.760 407 G HN 0.449 nan 8.290 nan 0.000 0.557 408 T N 1.161 115.595 114.554 -0.201 0.000 2.904 408 T HA 0.099 4.449 4.350 -0.000 0.000 0.243 408 T C 2.367 177.085 174.700 0.031 0.000 1.024 408 T CA 0.501 62.564 62.100 -0.063 0.000 1.158 408 T CB -0.020 68.835 68.868 -0.021 0.000 0.867 408 T HN 0.058 nan 8.240 nan 0.000 0.429 409 I N 2.057 122.640 120.570 0.022 0.000 2.226 409 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 409 I C 2.629 178.818 176.117 0.121 0.000 1.100 409 I CA 1.405 62.736 61.300 0.052 0.000 1.374 409 I CB -1.811 36.206 38.000 0.028 0.000 1.057 409 I HN 0.335 nan 8.210 nan 0.000 0.413 410 G N 0.148 109.045 108.800 0.162 0.000 3.124 410 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 410 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 410 G C 0.685 175.863 174.900 0.464 0.000 1.181 410 G CA -0.186 45.084 45.100 0.283 0.000 0.803 410 G HN 0.420 nan 8.290 nan 0.000 0.529 411 H N 1.115 120.392 119.070 0.345 0.000 2.886 411 H HA 0.058 4.614 4.556 -0.000 0.000 0.329 411 H C -1.296 174.111 175.328 0.131 0.000 1.044 411 H CA -1.149 55.099 56.048 0.334 0.000 1.456 411 H CB 1.701 31.588 29.762 0.208 0.000 1.464 411 H HN -0.031 nan 8.280 nan 0.000 0.573 412 P HA -0.187 nan 4.420 nan 0.000 0.218 412 P C 0.352 177.599 177.300 -0.089 0.000 1.154 412 P CA 1.717 64.660 63.100 -0.261 0.000 0.872 412 P CB 0.177 31.632 31.700 -0.409 0.000 0.790 413 Q N -0.817 118.999 119.800 0.028 0.000 2.242 413 Q HA 0.400 4.740 4.340 -0.000 0.000 0.246 413 Q C 0.581 176.692 176.000 0.184 0.000 0.883 413 Q CA -0.088 55.803 55.803 0.146 0.000 0.984 413 Q CB 0.057 28.907 28.738 0.187 0.000 1.096 413 Q HN 0.148 nan 8.270 nan 0.000 0.452 414 G N 0.179 109.082 108.800 0.172 0.000 2.756 414 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.678 414 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.678 414 G C 0.207 175.176 174.900 0.116 0.000 1.349 414 G CA -0.617 44.552 45.100 0.116 0.000 0.847 414 G HN 0.189 nan 8.290 nan 0.000 0.548 415 I N 0.050 120.649 120.570 0.049 0.000 2.179 415 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 415 I C 2.889 178.973 176.117 -0.055 0.000 1.088 415 I CA 2.401 63.705 61.300 0.006 0.000 1.357 415 I CB -0.452 37.536 38.000 -0.019 0.000 1.051 415 I HN 0.729 nan 8.210 nan 0.000 0.409 416 Q N 0.828 120.586 119.800 -0.069 0.000 2.112 416 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 416 Q C 2.318 178.237 176.000 -0.135 0.000 0.987 416 Q CA 2.149 57.886 55.803 -0.110 0.000 0.858 416 Q CB -0.169 28.501 28.738 -0.113 0.000 0.905 416 Q HN 0.589 nan 8.270 nan 0.000 0.420 417 A N 0.181 122.922 122.820 -0.131 0.000 1.877 417 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 417 A C 2.280 179.526 177.584 -0.563 0.000 1.186 417 A CA 1.572 53.453 52.037 -0.260 0.000 0.620 417 A CB -1.361 17.578 19.000 -0.102 0.000 0.822 417 A HN 0.599 nan 8.150 nan 0.000 0.443 418 G N -0.423 108.048 108.800 -0.548 0.000 2.440 418 G HA2 -0.043 3.916 3.960 -0.000 0.000 0.218 418 G HA3 -0.043 3.916 3.960 -0.000 0.000 0.218 418 G C 1.742 176.473 174.900 -0.282 0.000 1.154 418 G CA 1.662 46.494 45.100 -0.446 0.000 0.767 418 G HN 0.805 nan 8.290 nan 0.000 0.552 419 A N 0.467 123.168 122.820 -0.198 0.000 1.851 419 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 419 A C 2.547 180.039 177.584 -0.154 0.000 1.195 419 A CA 2.620 54.572 52.037 -0.143 0.000 0.622 419 A CB -1.190 17.742 19.000 -0.113 0.000 0.831 419 A HN 0.299 nan 8.150 nan 0.000 0.444 420 T N 0.513 114.968 114.554 -0.165 0.000 2.759 420 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 420 T C 2.144 176.745 174.700 -0.165 0.000 1.042 420 T CA 1.706 63.723 62.100 -0.139 0.000 1.140 420 T CB -0.553 68.238 68.868 -0.129 0.000 0.864 420 T HN 0.635 nan 8.240 nan 0.000 0.455 421 A N 2.467 125.150 122.820 -0.228 0.000 1.841 421 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 421 A C 2.154 179.621 177.584 -0.195 0.000 1.199 421 A CA 2.096 54.006 52.037 -0.213 0.000 0.621 421 A CB -1.092 17.775 19.000 -0.222 0.000 0.835 421 A HN 0.647 nan 8.150 nan 0.000 0.445 422 N N -1.025 117.524 118.700 -0.252 0.000 2.104 422 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 422 N C 1.975 177.404 175.510 -0.136 0.000 1.024 422 N CA 1.471 54.331 53.050 -0.317 0.000 0.853 422 N CB -0.175 37.994 38.487 -0.530 0.000 1.008 422 N HN 0.453 nan 8.380 nan 0.000 0.424 423 R N 1.344 121.789 120.500 -0.092 0.000 2.082 423 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 423 R C 1.924 178.217 176.300 -0.012 0.000 1.136 423 R CA 1.274 57.356 56.100 -0.030 0.000 0.935 423 R CB -0.874 29.405 30.300 -0.034 0.000 0.842 423 R HN 0.017 nan 8.270 nan 0.000 0.430 424 V N 1.046 120.937 119.914 -0.039 0.000 2.287 424 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 424 V C 2.400 178.489 176.094 -0.008 0.000 1.053 424 V CA 2.095 64.386 62.300 -0.015 0.000 1.027 424 V CB -1.133 30.609 31.823 -0.135 0.000 0.646 424 V HN 0.589 nan 8.190 nan 0.000 0.447 425 A N -0.572 122.217 122.820 -0.052 0.000 1.948 425 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 425 A C 2.273 179.879 177.584 0.036 0.000 1.177 425 A CA 2.439 54.464 52.037 -0.021 0.000 0.636 425 A CB -0.553 18.416 19.000 -0.052 0.000 0.815 425 A HN 0.526 nan 8.150 nan 0.000 0.449 426 L N -0.907 120.343 121.223 0.044 0.000 2.007 426 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 426 L C 2.631 179.550 176.870 0.081 0.000 1.073 426 L CA 1.592 56.481 54.840 0.082 0.000 0.744 426 L CB -0.454 41.663 42.059 0.096 0.000 0.898 426 L HN 0.367 nan 8.230 nan 0.000 0.435 427 E N 0.380 120.626 120.200 0.076 0.000 2.048 427 E HA -0.328 4.022 4.350 -0.000 0.000 0.202 427 E C 2.092 178.752 176.600 0.100 0.000 1.021 427 E CA 1.657 58.110 56.400 0.088 0.000 0.825 427 E CB -0.545 29.216 29.700 0.102 0.000 0.756 427 E HN 0.669 nan 8.360 nan 0.000 0.454 428 A N 1.225 124.117 122.820 0.120 0.000 1.865 428 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 428 A C 2.244 179.887 177.584 0.098 0.000 1.191 428 A CA 2.266 54.380 52.037 0.130 0.000 0.623 428 A CB -0.589 18.504 19.000 0.155 0.000 0.826 428 A HN 0.225 nan 8.150 nan 0.000 0.444 429 M N -0.199 119.455 119.600 0.090 0.000 2.144 429 M HA -0.122 4.357 4.480 -0.000 0.000 0.260 429 M C 1.865 178.215 176.300 0.084 0.000 1.067 429 M CA 1.693 57.047 55.300 0.089 0.000 1.095 429 M CB -0.551 32.111 32.600 0.103 0.000 1.365 429 M HN 0.157 nan 8.290 nan 0.000 0.406 430 V N -0.524 119.440 119.914 0.082 0.000 2.283 430 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 430 V C 2.266 178.399 176.094 0.066 0.000 1.039 430 V CA 1.592 63.937 62.300 0.074 0.000 1.016 430 V CB -0.933 30.935 31.823 0.074 0.000 0.650 430 V HN 0.529 nan 8.190 nan 0.000 0.449 431 L N 0.923 122.186 121.223 0.067 0.000 1.990 431 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 431 L C 2.496 179.397 176.870 0.052 0.000 1.072 431 L CA 2.616 57.490 54.840 0.057 0.000 0.755 431 L CB -0.982 41.113 42.059 0.060 0.000 0.889 431 L HN 0.253 nan 8.230 nan 0.000 0.432 432 A N -0.512 122.343 122.820 0.058 0.000 1.865 432 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 432 A C 2.552 180.165 177.584 0.049 0.000 1.191 432 A CA 2.099 54.167 52.037 0.051 0.000 0.623 432 A CB -0.820 18.214 19.000 0.055 0.000 0.826 432 A HN 0.540 nan 8.150 nan 0.000 0.444 433 R N 0.073 120.607 120.500 0.056 0.000 2.105 433 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 433 R C 1.866 178.193 176.300 0.045 0.000 1.135 433 R CA 1.929 58.062 56.100 0.056 0.000 0.967 433 R CB -0.555 29.783 30.300 0.063 0.000 0.861 433 R HN 0.762 nan 8.270 nan 0.000 0.442 434 N N 0.090 118.816 118.700 0.044 0.000 2.188 434 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 434 N C 1.244 176.772 175.510 0.030 0.000 1.018 434 N CA 1.114 54.185 53.050 0.036 0.000 0.858 434 N CB -0.020 38.489 38.487 0.037 0.000 0.989 434 N HN 0.417 nan 8.380 nan 0.000 0.426 435 E N -0.211 120.007 120.200 0.030 0.000 2.338 435 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 435 E C 1.234 177.848 176.600 0.023 0.000 1.007 435 E CA 0.560 56.975 56.400 0.025 0.000 0.849 435 E CB 0.083 29.798 29.700 0.024 0.000 0.774 435 E HN 0.520 nan 8.360 nan 0.000 0.506 436 G N 1.430 110.247 108.800 0.028 0.000 2.238 436 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 436 G C 0.182 175.100 174.900 0.030 0.000 0.996 436 G CA -0.245 44.871 45.100 0.027 0.000 0.632 436 G HN 0.131 nan 8.290 nan 0.000 0.503 437 R N 1.070 121.588 120.500 0.030 0.000 2.566 437 R HA 0.193 4.533 4.340 -0.000 0.000 0.273 437 R C -0.175 176.146 176.300 0.035 0.000 0.981 437 R CA 0.276 56.393 56.100 0.028 0.000 1.091 437 R CB 0.277 30.593 30.300 0.027 0.000 0.924 437 R HN 0.191 nan 8.270 nan 0.000 0.411 438 D N 3.912 124.329 120.400 0.027 0.000 2.380 438 D HA -0.034 4.606 4.640 -0.000 0.000 0.270 438 D C 1.120 177.440 176.300 0.034 0.000 1.363 438 D CA 0.109 54.127 54.000 0.030 0.000 1.057 438 D CB 0.108 40.916 40.800 0.013 0.000 1.096 438 D HN 0.426 nan 8.370 nan 0.000 0.524 439 I N 2.955 123.563 120.570 0.063 0.000 2.121 439 I HA -0.421 3.749 4.170 -0.000 0.000 0.243 439 I C 2.329 178.504 176.117 0.095 0.000 1.047 439 I CA 1.049 62.403 61.300 0.090 0.000 1.308 439 I CB -0.409 37.670 38.000 0.132 0.000 1.015 439 I HN 0.414 nan 8.210 nan 0.000 0.410 440 L N 0.363 121.607 121.223 0.036 0.000 1.921 440 L HA -0.257 4.083 4.340 -0.000 0.000 0.219 440 L C 2.499 179.394 176.870 0.041 0.000 1.081 440 L CA 1.923 56.776 54.840 0.021 0.000 0.771 440 L CB -0.908 41.058 42.059 -0.155 0.000 0.888 440 L HN 0.281 nan 8.230 nan 0.000 0.433 441 N N 0.026 118.718 118.700 -0.013 0.000 2.069 441 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 441 N C 1.675 177.157 175.510 -0.046 0.000 1.031 441 N CA 1.435 54.470 53.050 -0.024 0.000 0.852 441 N CB -0.306 38.169 38.487 -0.021 0.000 1.018 441 N HN 0.395 nan 8.380 nan 0.000 0.423 442 E N -0.145 120.032 120.200 -0.039 0.000 2.427 442 E HA 0.043 4.393 4.350 -0.000 0.000 0.196 442 E C 1.905 178.443 176.600 -0.103 0.000 1.028 442 E CA 0.288 56.658 56.400 -0.050 0.000 0.864 442 E CB -0.158 29.530 29.700 -0.019 0.000 0.813 442 E HN 0.405 nan 8.360 nan 0.000 0.514 443 G N 2.964 111.667 108.800 -0.163 0.000 2.719 443 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 443 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 443 G C -0.838 173.805 174.900 -0.428 0.000 1.234 443 G CA 1.006 45.885 45.100 -0.368 0.000 0.788 443 G HN 0.249 nan 8.290 nan 0.000 0.619 444 P HA -0.101 nan 4.420 nan 0.000 0.216 444 P C 1.628 178.850 177.300 -0.130 0.000 1.157 444 P CA 1.765 64.711 63.100 -0.257 0.000 0.880 444 P CB -0.021 31.576 31.700 -0.172 0.000 0.791 445 E N -0.732 119.407 120.200 -0.101 0.000 2.031 445 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 445 E C 2.014 178.596 176.600 -0.030 0.000 0.994 445 E CA 0.999 57.370 56.400 -0.049 0.000 0.800 445 E CB -1.121 28.559 29.700 -0.034 0.000 0.752 445 E HN 0.236 nan 8.360 nan 0.000 0.447 446 I N 0.469 121.018 120.570 -0.035 0.000 2.194 446 I HA -0.310 3.860 4.170 -0.000 0.000 0.246 446 I C 2.174 178.295 176.117 0.006 0.000 1.093 446 I CA 1.089 62.390 61.300 0.003 0.000 1.355 446 I CB -0.369 37.635 38.000 0.007 0.000 1.046 446 I HN 0.095 nan 8.210 nan 0.000 0.413 447 L N 0.165 121.370 121.223 -0.031 0.000 2.046 447 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 447 L C 2.790 179.636 176.870 -0.040 0.000 1.077 447 L CA 1.295 56.117 54.840 -0.030 0.000 0.747 447 L CB -0.604 41.436 42.059 -0.032 0.000 0.896 447 L HN 0.245 nan 8.230 nan 0.000 0.432 448 R N 0.362 120.842 120.500 -0.033 0.000 2.081 448 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 448 R C 1.828 178.122 176.300 -0.010 0.000 1.131 448 R CA 1.831 57.914 56.100 -0.027 0.000 0.960 448 R CB -0.121 30.167 30.300 -0.019 0.000 0.856 448 R HN 0.306 nan 8.270 nan 0.000 0.436 449 D N 0.468 120.884 120.400 0.027 0.000 2.117 449 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 449 D C 1.729 178.120 176.300 0.151 0.000 0.987 449 D CA 1.609 55.668 54.000 0.098 0.000 0.829 449 D CB -0.299 40.569 40.800 0.114 0.000 0.961 449 D HN 0.429 nan 8.370 nan 0.000 0.460 450 A N 1.103 123.953 122.820 0.051 0.000 1.872 450 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 450 A C 2.330 179.510 177.584 -0.674 0.000 1.187 450 A CA 1.960 53.893 52.037 -0.173 0.000 0.614 450 A CB -0.804 18.135 19.000 -0.102 0.000 0.826 450 A HN 0.216 nan 8.150 nan 0.000 0.442 451 A N -0.193 122.423 122.820 -0.340 0.000 1.978 451 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 451 A C 2.190 179.622 177.584 -0.254 0.000 1.170 451 A CA 1.869 53.730 52.037 -0.294 0.000 0.636 451 A CB -0.560 18.355 19.000 -0.141 0.000 0.810 451 A HN 0.575 nan 8.150 nan 0.000 0.448 452 R N -0.459 119.951 120.500 -0.151 0.000 2.096 452 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 452 R C 2.003 178.326 176.300 0.038 0.000 1.139 452 R CA 2.281 58.374 56.100 -0.012 0.000 0.952 452 R CB -0.354 30.004 30.300 0.097 0.000 0.854 452 R HN 0.922 nan 8.270 nan 0.000 0.436 453 W N -2.028 119.274 121.300 0.003 0.000 3.107 453 W HA 0.258 4.918 4.660 -0.000 0.000 0.293 453 W C -0.067 176.454 176.519 0.003 0.000 1.239 453 W CA -0.685 56.662 57.345 0.002 0.000 1.653 453 W CB -0.764 28.697 29.460 0.001 0.000 1.068 453 W HN 0.015 nan 8.180 nan 0.000 0.615 454 C N 4.121 123.037 119.300 -0.640 0.000 2.170 454 C HA 0.572 5.032 4.460 -0.000 0.000 0.339 454 C C 2.211 177.043 174.990 -0.264 0.000 1.056 454 C CA 0.391 59.070 59.018 -0.565 0.000 1.535 454 C CB -0.918 26.236 27.740 -0.976 0.000 1.785 454 C HN 0.488 nan 8.230 nan 0.000 0.440 455 G N 5.945 114.676 108.800 -0.114 0.000 2.599 455 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 455 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 455 G C -0.592 174.289 174.900 -0.032 0.000 1.193 455 G CA 1.482 46.550 45.100 -0.053 0.000 0.778 455 G HN 0.577 nan 8.290 nan 0.000 0.589 456 P HA -0.084 nan 4.420 nan 0.000 0.216 456 P C 2.019 179.348 177.300 0.049 0.000 1.150 456 P CA 0.737 63.857 63.100 0.033 0.000 0.843 456 P CB -0.113 31.516 31.700 -0.118 0.000 0.787 457 L N -0.180 120.990 121.223 -0.087 0.000 2.056 457 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 457 L C 2.472 179.325 176.870 -0.028 0.000 1.078 457 L CA 1.759 56.549 54.840 -0.084 0.000 0.749 457 L CB -1.108 40.826 42.059 -0.208 0.000 0.901 457 L HN -0.214 nan 8.230 nan 0.000 0.433 458 R N -0.196 120.265 120.500 -0.064 0.000 2.094 458 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 458 R C 2.091 178.378 176.300 -0.020 0.000 1.137 458 R CA 1.945 58.016 56.100 -0.049 0.000 0.943 458 R CB -0.603 29.662 30.300 -0.058 0.000 0.850 458 R HN 0.492 nan 8.270 nan 0.000 0.433 459 A N 0.521 123.343 122.820 0.003 0.000 1.972 459 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 459 A C 2.348 179.903 177.584 -0.048 0.000 1.169 459 A CA 1.701 53.709 52.037 -0.050 0.000 0.635 459 A CB -0.639 18.320 19.000 -0.069 0.000 0.810 459 A HN 0.611 nan 8.150 nan 0.000 0.446 460 A N -0.338 122.583 122.820 0.168 0.000 1.898 460 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 460 A C 2.146 179.845 177.584 0.191 0.000 1.181 460 A CA 1.418 53.635 52.037 0.300 0.000 0.620 460 A CB -0.512 18.696 19.000 0.346 0.000 0.819 460 A HN 0.462 nan 8.150 nan 0.000 0.442 461 L N -0.524 120.759 121.223 0.099 0.000 2.109 461 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 461 L C 1.915 178.781 176.870 -0.007 0.000 1.086 461 L CA 1.131 56.017 54.840 0.077 0.000 0.760 461 L CB -0.554 41.532 42.059 0.045 0.000 0.910 461 L HN 0.302 nan 8.230 nan 0.000 0.437 462 D N -0.492 119.868 120.400 -0.068 0.000 2.144 462 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 462 D C 2.176 178.350 176.300 -0.210 0.000 0.984 462 D CA 1.989 55.917 54.000 -0.119 0.000 0.834 462 D CB -0.178 40.546 40.800 -0.127 0.000 0.955 462 D HN 0.426 nan 8.370 nan 0.000 0.465 463 T N -2.645 111.700 114.554 -0.348 0.000 2.781 463 T HA -0.084 4.266 4.350 -0.000 0.000 0.252 463 T C 1.010 175.323 174.700 -0.644 0.000 1.039 463 T CA 0.365 62.065 62.100 -0.667 0.000 1.147 463 T CB -0.186 67.938 68.868 -1.240 0.000 0.865 463 T HN 0.113 nan 8.240 nan 0.000 0.423 464 W N 3.116 124.325 121.300 -0.152 0.000 2.101 464 W HA 0.664 5.324 4.660 -0.000 0.000 0.301 464 W C 0.811 177.182 176.519 -0.247 0.000 0.846 464 W CA -1.679 55.469 57.345 -0.329 0.000 1.823 464 W CB -0.176 28.962 29.460 -0.537 0.000 2.007 464 W HN 0.436 nan 8.180 nan 0.000 0.373 465 G N 1.232 110.054 108.800 0.036 0.000 2.803 465 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.177 465 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.177 465 G C 0.104 175.140 174.900 0.227 0.000 1.629 465 G CA -0.341 44.831 45.100 0.121 0.000 1.077 465 G HN 0.074 nan 8.290 nan 0.000 0.556 466 D N -0.124 120.372 120.400 0.160 0.000 2.372 466 D HA 0.411 5.051 4.640 -0.000 0.000 0.243 466 D C 0.013 176.408 176.300 0.159 0.000 1.121 466 D CA 0.725 54.827 54.000 0.171 0.000 0.898 466 D CB 2.081 42.944 40.800 0.106 0.000 1.202 466 D HN 0.234 nan 8.370 nan 0.000 0.428 467 I N 0.000 120.670 120.570 0.167 0.000 2.984 467 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 467 I CA 0.000 61.384 61.300 0.139 0.000 1.566 467 I CB 0.000 38.116 38.000 0.193 0.000 1.214 467 I HN 0.000 nan 8.210 nan 0.000 0.494