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 1ny7_1_2 DATA FIRST_RESID 1 DATA SEQUENCE MEQNLFALSL DDTSSVRGSL LDTKFAQTRV LLSKAMAGGD VLLDEYLYDV DATA SEQUENCE VNGQDFRATV AFLRTHVITG KIKVTATTNI SDNSGCCLML AINSGVRGKY DATA SEQUENCE STDVYTICSQ DSMTWNPGCK KNFSFTFNPN PCGDSWSAEM ISRSRVRMTV DATA SEQUENCE ICVSGWTLSP TTDVIAKLDW SIVNEKCEPT IYHLADCQNW LPLNRWMGKL DATA SEQUENCE TFPQGVTSEV RRMPLSIGGG AGATQAFLAN MPNSWISMWR YFRGELHFEV DATA SEQUENCE TKMSSPYIKA TVTFLIAFGN LSDAFGFYES FPHRIVQFAE VEEKCTLVFS DATA SEQUENCE QQEFVTAWST QVNPRTTLEA DGCPYLYAII HDSTTGTISG DFNLGVKLVG DATA SEQUENCE IKDFCGIGSN PGIDGSRLL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 E N 2.175 122.378 120.200 0.006 0.000 2.283 2 E HA 0.416 4.766 4.350 0.000 0.000 0.278 2 E C -0.964 175.643 176.600 0.011 0.000 1.027 2 E CA 0.151 56.556 56.400 0.008 0.000 0.843 2 E CB 1.094 30.798 29.700 0.007 0.000 1.062 2 E HN 0.307 nan 8.360 nan 0.000 0.401 3 Q N 2.185 121.994 119.800 0.015 0.000 2.496 3 Q HA 0.273 4.613 4.340 0.000 0.000 0.286 3 Q C -0.844 175.173 176.000 0.029 0.000 1.103 3 Q CA -1.139 54.676 55.803 0.020 0.000 0.813 3 Q CB 1.256 30.005 28.738 0.019 0.000 1.444 3 Q HN 0.386 nan 8.270 nan 0.000 0.443 4 N N 1.451 120.174 118.700 0.038 0.000 2.521 4 N HA 0.124 4.865 4.740 0.000 0.000 0.236 4 N C 0.371 175.931 175.510 0.083 0.000 1.067 4 N CA 0.071 53.156 53.050 0.059 0.000 0.939 4 N CB 0.330 38.855 38.487 0.063 0.000 1.201 4 N HN 0.650 nan 8.380 nan 0.000 0.511 5 L N 2.006 123.280 121.223 0.084 0.000 2.187 5 L HA -0.153 4.187 4.340 0.000 0.000 0.213 5 L C 1.661 178.599 176.870 0.114 0.000 1.100 5 L CA 0.963 55.851 54.840 0.080 0.000 0.765 5 L CB -0.428 41.672 42.059 0.067 0.000 0.904 5 L HN 0.458 nan 8.230 nan 0.000 0.437 6 F N 0.761 120.709 119.950 -0.005 0.000 2.269 6 F HA -0.188 4.339 4.527 0.000 0.000 0.301 6 F C 2.414 178.211 175.800 -0.006 0.000 1.082 6 F CA 1.108 59.105 58.000 -0.005 0.000 1.360 6 F CB 0.069 39.066 39.000 -0.005 0.000 1.041 6 F HN 0.020 nan 8.300 nan 0.000 0.512 7 A N -0.134 122.772 122.820 0.143 0.000 2.067 7 A HA 0.083 4.403 4.320 0.000 0.000 0.217 7 A C 0.895 178.475 177.584 -0.006 0.000 1.156 7 A CA 0.238 52.312 52.037 0.062 0.000 0.683 7 A CB -0.626 18.420 19.000 0.076 0.000 0.808 7 A HN 0.138 nan 8.150 nan 0.000 0.455 8 L N 0.323 121.537 121.223 -0.014 0.000 2.472 8 L HA 0.030 4.370 4.340 0.000 0.000 0.273 8 L C 1.459 178.295 176.870 -0.056 0.000 1.254 8 L CA 0.840 55.663 54.840 -0.028 0.000 0.823 8 L CB -0.062 41.984 42.059 -0.021 0.000 1.096 8 L HN 0.347 nan 8.230 nan 0.000 0.521 9 S N 0.426 116.098 115.700 -0.047 0.000 3.122 9 S HA 0.205 4.675 4.470 0.000 0.000 0.249 9 S C 1.107 175.669 174.600 -0.063 0.000 1.334 9 S CA -0.330 57.837 58.200 -0.055 0.000 1.251 9 S CB -0.739 62.437 63.200 -0.040 0.000 1.034 9 S HN 0.503 nan 8.310 nan 0.000 0.478 10 L N -0.020 121.155 121.223 -0.080 0.000 2.375 10 L HA 0.189 4.529 4.340 0.000 0.000 0.215 10 L C 1.468 178.284 176.870 -0.090 0.000 1.108 10 L CA 0.523 55.316 54.840 -0.078 0.000 0.830 10 L CB -0.223 41.790 42.059 -0.077 0.000 0.959 10 L HN 0.344 nan 8.230 nan 0.000 0.457 11 D N 0.290 120.625 120.400 -0.109 0.000 2.690 11 D HA -0.039 4.601 4.640 0.000 0.000 0.236 11 D C 0.047 176.299 176.300 -0.080 0.000 1.218 11 D CA -0.156 53.783 54.000 -0.102 0.000 0.829 11 D CB -0.191 40.529 40.800 -0.134 0.000 1.009 11 D HN -0.015 nan 8.370 nan 0.000 0.482 12 D N -0.309 120.046 120.400 -0.074 0.000 2.342 12 D HA -0.026 4.614 4.640 0.000 0.000 0.260 12 D C 0.479 176.736 176.300 -0.072 0.000 1.278 12 D CA 0.301 54.261 54.000 -0.067 0.000 0.910 12 D CB 0.795 41.558 40.800 -0.061 0.000 1.079 12 D HN -0.095 nan 8.370 nan 0.000 0.496 13 T N 1.862 116.378 114.554 -0.063 0.000 3.235 13 T HA 0.063 4.413 4.350 0.000 0.000 0.251 13 T C 0.417 175.074 174.700 -0.071 0.000 1.060 13 T CA -0.164 61.901 62.100 -0.059 0.000 0.949 13 T CB -0.257 68.587 68.868 -0.039 0.000 1.020 13 T HN 0.459 nan 8.240 nan 0.000 0.564 14 S N 0.349 116.004 115.700 -0.075 0.000 2.632 14 S HA 0.567 5.037 4.470 0.000 0.000 0.271 14 S C 0.420 174.960 174.600 -0.101 0.000 1.260 14 S CA -0.775 57.378 58.200 -0.078 0.000 1.010 14 S CB 1.540 64.703 63.200 -0.061 0.000 0.965 14 S HN 0.208 nan 8.310 nan 0.000 0.534 15 S N 0.565 116.200 115.700 -0.109 0.000 2.600 15 S HA 0.279 4.749 4.470 0.000 0.000 0.265 15 S C 0.277 174.818 174.600 -0.098 0.000 1.325 15 S CA -0.382 57.735 58.200 -0.138 0.000 1.002 15 S CB 0.275 63.387 63.200 -0.147 0.000 0.921 15 S HN 1.533 nan 8.310 nan 0.000 0.554 16 V N 4.020 123.876 119.914 -0.097 0.000 2.614 16 V HA 0.730 4.850 4.120 0.000 0.000 0.291 16 V C -0.249 175.838 176.094 -0.012 0.000 1.049 16 V CA -0.308 61.968 62.300 -0.040 0.000 1.038 16 V CB 0.174 31.992 31.823 -0.007 0.000 0.980 16 V HN 1.066 nan 8.190 nan 0.000 0.481 17 R N 3.748 124.249 120.500 0.001 0.000 2.690 17 R HA 0.874 5.214 4.340 0.000 0.000 0.269 17 R C -0.213 176.095 176.300 0.013 0.000 1.037 17 R CA -0.409 55.696 56.100 0.009 0.000 0.877 17 R CB 1.411 31.708 30.300 -0.004 0.000 1.255 17 R HN 1.778 nan 8.270 nan 0.000 0.467 18 G N 0.474 109.283 108.800 0.015 0.000 2.350 18 G HA2 0.164 4.124 3.960 0.000 0.000 0.276 18 G HA3 0.164 4.124 3.960 0.000 0.000 0.276 18 G C -0.938 173.970 174.900 0.013 0.000 1.313 18 G CA -0.387 44.721 45.100 0.013 0.000 0.903 18 G HN 1.004 nan 8.290 nan 0.000 0.490 19 S N -0.863 114.844 115.700 0.012 0.000 2.606 19 S HA 0.407 4.877 4.470 0.000 0.000 0.257 19 S C 1.633 176.238 174.600 0.009 0.000 1.327 19 S CA 0.171 58.375 58.200 0.007 0.000 0.984 19 S CB 0.824 64.028 63.200 0.007 0.000 0.941 19 S HN 0.880 nan 8.310 nan 0.000 0.576 20 L N 0.201 121.423 121.223 -0.002 0.000 2.201 20 L HA -0.042 4.298 4.340 0.000 0.000 0.212 20 L C 2.396 179.261 176.870 -0.009 0.000 1.105 20 L CA 0.681 55.515 54.840 -0.011 0.000 0.775 20 L CB -0.555 41.485 42.059 -0.031 0.000 0.913 20 L HN 0.711 nan 8.230 nan 0.000 0.440 21 L N -0.342 120.882 121.223 0.002 0.000 2.027 21 L HA -0.204 4.136 4.340 0.000 0.000 0.206 21 L C 1.905 178.798 176.870 0.039 0.000 1.074 21 L CA 1.926 56.776 54.840 0.016 0.000 0.745 21 L CB -0.500 41.572 42.059 0.022 0.000 0.898 21 L HN 0.206 nan 8.230 nan 0.000 0.433 22 D N -1.774 118.650 120.400 0.040 0.000 2.347 22 D HA -0.080 4.560 4.640 0.000 0.000 0.213 22 D C 1.432 177.774 176.300 0.070 0.000 0.985 22 D CA 1.060 55.093 54.000 0.055 0.000 0.879 22 D CB 0.310 41.134 40.800 0.041 0.000 0.919 22 D HN 0.319 nan 8.370 nan 0.000 0.526 23 T N -0.073 114.519 114.554 0.063 0.000 3.105 23 T HA 0.021 4.371 4.350 0.000 0.000 0.253 23 T C 0.474 175.253 174.700 0.131 0.000 1.047 23 T CA -0.221 61.935 62.100 0.093 0.000 0.944 23 T CB 0.180 69.089 68.868 0.069 0.000 1.016 23 T HN -0.105 nan 8.240 nan 0.000 0.544 24 K N 1.088 121.534 120.400 0.078 0.000 2.234 24 K HA 0.285 4.605 4.320 0.000 0.000 0.282 24 K C 0.304 176.958 176.600 0.090 0.000 1.039 24 K CA -0.462 55.817 56.287 -0.012 0.000 0.928 24 K CB 0.492 32.895 32.500 -0.162 0.000 1.039 24 K HN 0.320 nan 8.250 nan 0.000 0.470 25 F N 1.549 121.459 119.950 -0.066 0.000 2.752 25 F HA 0.523 5.050 4.527 0.000 0.000 0.310 25 F C -0.109 175.674 175.800 -0.028 0.000 1.097 25 F CA -0.457 57.508 58.000 -0.058 0.000 1.238 25 F CB 0.650 39.511 39.000 -0.231 0.000 1.061 25 F HN 0.408 nan 8.300 nan 0.000 0.591 26 A N 0.322 122.882 122.820 -0.433 0.000 2.586 26 A HA 0.681 5.001 4.320 0.000 0.000 0.291 26 A C -1.593 175.883 177.584 -0.181 0.000 1.062 26 A CA -0.773 51.162 52.037 -0.169 0.000 0.666 26 A CB 1.173 20.049 19.000 -0.207 0.000 1.281 26 A HN 0.266 nan 8.150 nan 0.000 0.421 27 Q N -0.204 119.617 119.800 0.035 0.000 2.423 27 Q HA 0.759 5.099 4.340 0.000 0.000 0.278 27 Q C -1.346 174.770 176.000 0.193 0.000 1.097 27 Q CA -0.738 55.092 55.803 0.046 0.000 0.809 27 Q CB 2.803 31.523 28.738 -0.030 0.000 1.391 27 Q HN 0.721 nan 8.270 nan 0.000 0.428 28 T N 1.022 115.691 114.554 0.193 0.000 2.909 28 T HA 0.457 4.807 4.350 0.000 0.000 0.299 28 T C -1.063 173.718 174.700 0.134 0.000 1.073 28 T CA -0.672 61.554 62.100 0.210 0.000 0.999 28 T CB 1.599 70.687 68.868 0.367 0.000 1.098 28 T HN 0.322 nan 8.240 nan 0.000 0.477 29 R N 1.792 122.362 120.500 0.116 0.000 2.310 29 R HA 0.650 4.990 4.340 0.000 0.000 0.324 29 R C -0.825 175.528 176.300 0.087 0.000 0.955 29 R CA -0.570 55.584 56.100 0.090 0.000 0.830 29 R CB 1.150 31.497 30.300 0.078 0.000 1.154 29 R HN 0.478 nan 8.270 nan 0.000 0.458 30 V N 5.140 125.104 119.914 0.083 0.000 2.495 30 V HA 0.515 4.635 4.120 0.000 0.000 0.298 30 V C -1.140 174.990 176.094 0.060 0.000 1.031 30 V CA -0.965 61.377 62.300 0.071 0.000 0.871 30 V CB 1.671 33.537 31.823 0.073 0.000 0.988 30 V HN 0.662 nan 8.190 nan 0.000 0.432 31 L N 6.626 127.879 121.223 0.049 0.000 2.265 31 L HA 0.606 4.946 4.340 0.000 0.000 0.288 31 L C -0.881 176.017 176.870 0.047 0.000 1.058 31 L CA -0.087 54.784 54.840 0.052 0.000 0.809 31 L CB 1.123 43.209 42.059 0.045 0.000 1.179 31 L HN 0.717 nan 8.230 nan 0.000 0.429 32 L N 5.221 126.491 121.223 0.079 0.000 2.264 32 L HA 0.429 4.769 4.340 0.000 0.000 0.287 32 L C 0.480 177.458 176.870 0.179 0.000 1.039 32 L CA 0.056 54.955 54.840 0.099 0.000 0.829 32 L CB 0.809 42.955 42.059 0.145 0.000 1.211 32 L HN 0.772 nan 8.230 nan 0.000 0.427 33 S N 2.231 118.011 115.700 0.133 0.000 2.576 33 S HA 0.100 4.570 4.470 0.000 0.000 0.272 33 S C 1.029 175.783 174.600 0.256 0.000 1.352 33 S CA -0.215 58.067 58.200 0.138 0.000 1.021 33 S CB 0.394 63.644 63.200 0.084 0.000 0.887 33 S HN 0.702 nan 8.310 nan 0.000 0.542 34 K N 0.066 120.551 120.400 0.141 0.000 2.555 34 K HA 0.272 4.592 4.320 0.000 0.000 0.193 34 K C 0.732 177.422 176.600 0.149 0.000 1.032 34 K CA 0.747 57.075 56.287 0.068 0.000 1.004 34 K CB -0.160 32.293 32.500 -0.078 0.000 0.804 34 K HN 0.627 nan 8.250 nan 0.000 0.496 35 A N 1.712 124.650 122.820 0.197 0.000 2.594 35 A HA 0.285 4.605 4.320 0.000 0.000 0.292 35 A C 0.243 177.912 177.584 0.141 0.000 1.026 35 A CA -0.907 51.230 52.037 0.168 0.000 0.983 35 A CB -0.286 18.760 19.000 0.076 0.000 1.233 35 A HN 0.446 nan 8.150 nan 0.000 0.519 36 M N -2.033 117.661 119.600 0.156 0.000 2.240 36 M HA 0.529 5.009 4.480 0.000 0.000 0.317 36 M C 0.661 176.924 176.300 -0.061 0.000 1.087 36 M CA 0.990 56.281 55.300 -0.014 0.000 1.176 36 M CB 0.691 33.214 32.600 -0.128 0.000 1.439 36 M HN 0.165 nan 8.290 nan 0.000 0.452 37 A N 1.561 124.328 122.820 -0.089 0.000 2.312 37 A HA 0.603 4.923 4.320 0.000 0.000 0.215 37 A C 0.964 178.481 177.584 -0.111 0.000 1.256 37 A CA 0.260 52.248 52.037 -0.082 0.000 0.966 37 A CB 0.025 18.999 19.000 -0.044 0.000 1.053 37 A HN 1.806 nan 8.150 nan 0.000 0.510 38 G N -1.812 106.903 108.800 -0.141 0.000 3.373 38 G HA2 0.458 4.418 3.960 0.000 0.000 0.685 38 G HA3 0.458 4.418 3.960 0.000 0.000 0.685 38 G C 0.948 175.779 174.900 -0.114 0.000 1.166 38 G CA 0.451 45.465 45.100 -0.144 0.000 1.063 38 G HN 2.018 nan 8.290 nan 0.000 0.481 39 G N 1.729 110.452 108.800 -0.129 0.000 2.339 39 G HA2 -0.143 3.817 3.960 0.000 0.000 0.209 39 G HA3 -0.143 3.817 3.960 0.000 0.000 0.209 39 G C 0.231 175.069 174.900 -0.104 0.000 1.015 39 G CA 0.622 45.658 45.100 -0.108 0.000 0.635 39 G HN 1.368 nan 8.290 nan 0.000 0.499 40 D N 1.434 121.769 120.400 -0.108 0.000 2.570 40 D HA 0.350 4.990 4.640 0.000 0.000 0.243 40 D C 0.678 176.918 176.300 -0.099 0.000 1.171 40 D CA 0.403 54.345 54.000 -0.097 0.000 0.879 40 D CB 1.206 41.943 40.800 -0.105 0.000 1.143 40 D HN 0.268 nan 8.370 nan 0.000 0.511 41 V N 5.259 125.126 119.914 -0.077 0.000 2.427 41 V HA 0.035 4.155 4.120 0.000 0.000 0.268 41 V C 1.539 177.600 176.094 -0.055 0.000 1.046 41 V CA -0.189 62.071 62.300 -0.066 0.000 0.970 41 V CB 0.925 32.717 31.823 -0.051 0.000 1.001 41 V HN 0.487 nan 8.190 nan 0.000 0.476 42 L N 4.979 126.168 121.223 -0.057 0.000 2.162 42 L HA 0.292 4.632 4.340 0.000 0.000 0.205 42 L C 0.301 177.167 176.870 -0.007 0.000 1.086 42 L CA 0.873 55.689 54.840 -0.039 0.000 0.778 42 L CB 0.019 42.044 42.059 -0.056 0.000 0.928 42 L HN 0.484 nan 8.230 nan 0.000 0.446 43 L N -0.092 121.133 121.223 0.003 0.000 2.611 43 L HA 0.489 4.829 4.340 0.000 0.000 0.260 43 L C -2.222 174.662 176.870 0.024 0.000 0.924 43 L CA -0.297 54.558 54.840 0.025 0.000 0.901 43 L CB 2.114 44.209 42.059 0.060 0.000 1.369 43 L HN -0.105 nan 8.230 nan 0.000 0.415 44 D N 3.476 123.884 120.400 0.013 0.000 2.890 44 D HA 0.645 5.285 4.640 0.000 0.000 0.233 44 D C -1.503 174.777 176.300 -0.032 0.000 1.306 44 D CA 0.199 54.202 54.000 0.006 0.000 0.929 44 D CB 1.496 42.311 40.800 0.025 0.000 1.512 44 D HN 0.738 nan 8.370 nan 0.000 0.568 45 E N 1.170 121.331 120.200 -0.065 0.000 2.432 45 E HA 0.255 4.605 4.350 0.000 0.000 0.279 45 E C -1.105 175.418 176.600 -0.128 0.000 1.099 45 E CA -0.961 55.356 56.400 -0.138 0.000 0.859 45 E CB 0.535 30.218 29.700 -0.028 0.000 1.402 45 E HN 0.267 nan 8.360 nan 0.000 0.451 46 Y N 1.040 121.372 120.300 0.053 0.000 2.497 46 Y HA 0.055 4.605 4.550 0.000 0.000 0.334 46 Y C 1.696 177.623 175.900 0.046 0.000 1.199 46 Y CA -0.207 57.923 58.100 0.051 0.000 1.425 46 Y CB 0.751 39.254 38.460 0.072 0.000 1.291 46 Y HN 0.505 nan 8.280 nan 0.000 0.562 47 L N 2.793 124.141 121.223 0.209 0.000 1.990 47 L HA -0.328 4.012 4.340 0.000 0.000 0.213 47 L C 2.138 179.054 176.870 0.077 0.000 1.072 47 L CA 1.679 56.550 54.840 0.050 0.000 0.755 47 L CB -0.380 41.730 42.059 0.085 0.000 0.889 47 L HN 0.860 nan 8.230 nan 0.000 0.432 48 Y N 1.122 121.480 120.300 0.096 0.000 2.151 48 Y HA -0.362 4.188 4.550 0.000 0.000 0.284 48 Y C 2.192 178.158 175.900 0.109 0.000 1.166 48 Y CA 2.200 60.383 58.100 0.139 0.000 1.163 48 Y CB -0.340 38.190 38.460 0.116 0.000 0.974 48 Y HN 0.350 nan 8.280 nan 0.000 0.511 49 D N -0.702 119.889 120.400 0.319 0.000 2.309 49 D HA -0.165 4.475 4.640 0.000 0.000 0.212 49 D C 2.319 178.638 176.300 0.031 0.000 0.968 49 D CA 0.968 55.091 54.000 0.205 0.000 0.882 49 D CB -0.310 40.621 40.800 0.218 0.000 0.918 49 D HN 0.323 nan 8.370 nan 0.000 0.503 50 V N 0.376 120.240 119.914 -0.083 0.000 2.568 50 V HA -0.154 3.966 4.120 0.000 0.000 0.253 50 V C 2.095 178.081 176.094 -0.179 0.000 1.072 50 V CA 0.991 63.162 62.300 -0.215 0.000 1.084 50 V CB 0.001 31.457 31.823 -0.612 0.000 0.676 50 V HN 0.098 nan 8.190 nan 0.000 0.469 51 V N -0.269 119.545 119.914 -0.166 0.000 3.646 51 V HA 0.010 4.130 4.120 0.000 0.000 0.277 51 V C 1.538 177.615 176.094 -0.029 0.000 1.274 51 V CA 0.874 63.112 62.300 -0.103 0.000 1.164 51 V CB -0.923 30.797 31.823 -0.172 0.000 0.926 51 V HN 0.644 nan 8.190 nan 0.000 0.442 52 N N 1.038 119.739 118.700 0.000 0.000 2.014 52 N HA -0.104 4.636 4.740 0.000 0.000 0.194 52 N C 1.600 177.141 175.510 0.051 0.000 1.083 52 N CA 1.558 54.635 53.050 0.045 0.000 0.870 52 N CB -0.450 38.080 38.487 0.071 0.000 1.061 52 N HN 0.481 nan 8.380 nan 0.000 0.427 53 G N 0.722 109.553 108.800 0.052 0.000 3.234 53 G HA2 -0.036 3.924 3.960 0.000 0.000 0.221 53 G HA3 -0.036 3.924 3.960 0.000 0.000 0.221 53 G C -0.194 174.723 174.900 0.029 0.000 1.229 53 G CA -0.065 45.058 45.100 0.039 0.000 0.909 53 G HN 0.213 nan 8.290 nan 0.000 0.510 54 Q N 0.392 120.227 119.800 0.057 0.000 2.373 54 Q HA 0.205 4.545 4.340 0.000 0.000 0.255 54 Q C -0.882 175.118 176.000 -0.001 0.000 0.980 54 Q CA 0.201 56.051 55.803 0.079 0.000 0.882 54 Q CB 1.651 30.510 28.738 0.202 0.000 1.249 54 Q HN 0.215 nan 8.270 nan 0.000 0.438 55 D N 1.470 121.761 120.400 -0.181 0.000 2.997 55 D HA 0.283 4.923 4.640 0.000 0.000 0.362 55 D C -1.276 174.814 176.300 -0.350 0.000 1.298 55 D CA -0.094 53.782 54.000 -0.208 0.000 0.756 55 D CB -0.222 40.452 40.800 -0.210 0.000 1.216 55 D HN 0.224 nan 8.370 nan 0.000 0.496 56 F N -0.099 119.873 119.950 0.037 0.000 2.461 56 F HA 0.478 5.005 4.527 0.000 0.000 0.337 56 F C 2.127 177.956 175.800 0.049 0.000 1.079 56 F CA -0.947 57.075 58.000 0.036 0.000 1.032 56 F CB 0.914 39.931 39.000 0.028 0.000 1.327 56 F HN -0.234 nan 8.300 nan 0.000 0.491 57 R N 0.379 121.044 120.500 0.276 0.000 2.105 57 R HA -0.134 4.206 4.340 0.000 0.000 0.239 57 R C 1.274 177.665 176.300 0.152 0.000 1.135 57 R CA 1.529 57.726 56.100 0.163 0.000 0.967 57 R CB -0.488 29.889 30.300 0.128 0.000 0.861 57 R HN 0.616 nan 8.270 nan 0.000 0.442 58 A N -0.056 122.882 122.820 0.197 0.000 2.423 58 A HA 0.120 4.440 4.320 0.000 0.000 0.246 58 A C 1.536 179.262 177.584 0.236 0.000 1.278 58 A CA -0.074 52.079 52.037 0.194 0.000 0.903 58 A CB 0.066 19.195 19.000 0.215 0.000 0.997 58 A HN 0.125 nan 8.150 nan 0.000 0.510 59 T N 0.063 114.762 114.554 0.243 0.000 2.652 59 T HA -0.165 4.185 4.350 0.000 0.000 0.267 59 T C 1.915 176.730 174.700 0.192 0.000 1.039 59 T CA 2.005 64.248 62.100 0.239 0.000 1.153 59 T CB -0.398 68.591 68.868 0.203 0.000 0.863 59 T HN 0.179 nan 8.240 nan 0.000 0.428 60 V N 1.892 121.880 119.914 0.123 0.000 2.343 60 V HA -0.167 3.953 4.120 0.000 0.000 0.247 60 V C 2.943 179.067 176.094 0.050 0.000 1.051 60 V CA 1.665 64.010 62.300 0.074 0.000 1.036 60 V CB -1.349 30.498 31.823 0.040 0.000 0.654 60 V HN 0.553 nan 8.190 nan 0.000 0.451 61 A N -0.244 122.610 122.820 0.056 0.000 1.933 61 A HA -0.247 4.073 4.320 0.000 0.000 0.218 61 A C 2.121 179.700 177.584 -0.009 0.000 1.175 61 A CA 2.034 54.075 52.037 0.008 0.000 0.628 61 A CB -0.743 18.269 19.000 0.019 0.000 0.814 61 A HN 0.566 nan 8.150 nan 0.000 0.444 62 F N 0.513 120.386 119.950 -0.128 0.000 2.126 62 F HA -0.143 4.384 4.527 0.000 0.000 0.299 62 F C 1.769 177.449 175.800 -0.200 0.000 1.096 62 F CA 1.871 59.724 58.000 -0.245 0.000 1.255 62 F CB -0.208 38.552 39.000 -0.401 0.000 0.997 62 F HN 0.136 nan 8.300 nan 0.000 0.479 63 L N -0.152 121.032 121.223 -0.065 0.000 2.240 63 L HA -0.039 4.301 4.340 0.000 0.000 0.211 63 L C 1.890 178.665 176.870 -0.159 0.000 1.106 63 L CA 0.591 55.351 54.840 -0.135 0.000 0.793 63 L CB -0.380 41.705 42.059 0.042 0.000 0.927 63 L HN 0.016 nan 8.230 nan 0.000 0.446 64 R N -1.153 119.252 120.500 -0.158 0.000 2.362 64 R HA 0.202 4.542 4.340 0.000 0.000 0.227 64 R C 0.158 176.259 176.300 -0.331 0.000 0.905 64 R CA 0.088 56.062 56.100 -0.212 0.000 1.067 64 R CB -0.203 30.006 30.300 -0.151 0.000 1.078 64 R HN 0.063 nan 8.270 nan 0.000 0.516 65 T N 1.688 116.055 114.554 -0.311 0.000 2.749 65 T HA 0.147 4.497 4.350 0.000 0.000 0.295 65 T C 0.957 175.467 174.700 -0.317 0.000 0.936 65 T CA -0.329 61.578 62.100 -0.321 0.000 1.060 65 T CB 1.061 69.759 68.868 -0.283 0.000 0.904 65 T HN 0.149 nan 8.240 nan 0.000 0.500 66 H N 2.007 120.962 119.070 -0.191 0.000 2.357 66 H HA 0.059 4.615 4.556 0.000 0.000 0.301 66 H C 0.724 175.920 175.328 -0.220 0.000 1.082 66 H CA 0.816 56.757 56.048 -0.180 0.000 1.342 66 H CB 0.283 29.967 29.762 -0.130 0.000 1.389 66 H HN 0.242 nan 8.280 nan 0.000 0.511 67 V N 2.219 122.061 119.914 -0.120 0.000 2.380 67 V HA 0.230 4.350 4.120 0.000 0.000 0.286 67 V C 0.025 175.917 176.094 -0.337 0.000 1.015 67 V CA -0.434 61.740 62.300 -0.209 0.000 0.834 67 V CB 1.880 33.624 31.823 -0.132 0.000 1.009 67 V HN 0.047 nan 8.190 nan 0.000 0.428 68 I N 3.333 123.546 120.570 -0.595 0.000 2.353 68 I HA 0.292 4.462 4.170 0.000 0.000 0.293 68 I C 1.214 176.929 176.117 -0.670 0.000 0.992 68 I CA 0.172 61.016 61.300 -0.761 0.000 1.268 68 I CB 1.979 39.180 38.000 -1.331 0.000 1.387 68 I HN 0.516 nan 8.210 nan 0.000 0.478 69 T N 3.970 118.315 114.554 -0.348 0.000 2.990 69 T HA 0.172 4.522 4.350 0.000 0.000 0.250 69 T C 0.737 175.427 174.700 -0.017 0.000 1.041 69 T CA 0.114 62.121 62.100 -0.155 0.000 1.010 69 T CB 0.266 69.066 68.868 -0.114 0.000 1.003 69 T HN 0.778 nan 8.240 nan 0.000 0.499 70 G N 0.786 109.595 108.800 0.016 0.000 2.557 70 G HA2 0.571 4.531 3.960 0.000 0.000 0.292 70 G HA3 0.571 4.531 3.960 0.000 0.000 0.292 70 G C -0.619 174.443 174.900 0.269 0.000 1.237 70 G CA -0.508 44.656 45.100 0.107 0.000 0.978 70 G HN 0.246 nan 8.290 nan 0.000 0.498 71 K N -1.080 119.404 120.400 0.140 0.000 2.106 71 K HA 0.486 4.806 4.320 0.000 0.000 0.246 71 K C -0.227 176.339 176.600 -0.058 0.000 0.987 71 K CA -0.466 55.831 56.287 0.016 0.000 0.904 71 K CB 1.721 34.165 32.500 -0.094 0.000 1.071 71 K HN 0.265 nan 8.250 nan 0.000 0.453 72 I N 1.686 121.998 120.570 -0.431 0.000 2.440 72 I HA 0.199 4.369 4.170 0.000 0.000 0.294 72 I C 0.031 175.920 176.117 -0.381 0.000 0.995 72 I CA -0.393 60.675 61.300 -0.387 0.000 1.306 72 I CB 1.216 38.742 38.000 -0.790 0.000 1.407 72 I HN 0.365 nan 8.210 nan 0.000 0.501 73 K N 5.804 126.138 120.400 -0.109 0.000 2.345 73 K HA 0.635 4.955 4.320 0.000 0.000 0.255 73 K C -1.595 174.937 176.600 -0.112 0.000 0.934 73 K CA -0.542 55.672 56.287 -0.121 0.000 0.801 73 K CB 1.970 34.413 32.500 -0.095 0.000 1.137 73 K HN 0.403 nan 8.250 nan 0.000 0.424 74 V N 2.240 122.070 119.914 -0.139 0.000 2.555 74 V HA 0.440 4.560 4.120 0.000 0.000 0.302 74 V C -0.347 175.566 176.094 -0.301 0.000 1.038 74 V CA -0.790 61.270 62.300 -0.400 0.000 0.887 74 V CB 1.674 33.271 31.823 -0.377 0.000 0.991 74 V HN 0.800 nan 8.190 nan 0.000 0.434 75 T N 3.494 117.815 114.554 -0.388 0.000 2.824 75 T HA 0.749 5.099 4.350 0.000 0.000 0.282 75 T C -0.169 174.351 174.700 -0.299 0.000 0.993 75 T CA -0.277 61.648 62.100 -0.291 0.000 0.967 75 T CB 1.677 70.405 68.868 -0.234 0.000 0.960 75 T HN 1.036 nan 8.240 nan 0.000 0.441 76 A N 2.530 125.178 122.820 -0.287 0.000 2.337 76 A HA 0.804 5.124 4.320 0.000 0.000 0.329 76 A C -0.075 177.457 177.584 -0.085 0.000 1.146 76 A CA -0.637 51.292 52.037 -0.181 0.000 0.800 76 A CB 1.092 19.964 19.000 -0.212 0.000 1.220 76 A HN 0.675 nan 8.150 nan 0.000 0.472 77 T N 1.371 115.937 114.554 0.020 0.000 2.841 77 T HA 0.745 5.095 4.350 0.000 0.000 0.285 77 T C -0.646 174.132 174.700 0.130 0.000 0.991 77 T CA -0.093 62.041 62.100 0.057 0.000 0.966 77 T CB 1.301 70.176 68.868 0.013 0.000 0.962 77 T HN 1.089 nan 8.240 nan 0.000 0.438 78 T N 3.356 118.014 114.554 0.172 0.000 2.886 78 T HA 0.454 4.804 4.350 0.000 0.000 0.341 78 T C -2.273 172.541 174.700 0.190 0.000 1.839 78 T CA -0.728 61.480 62.100 0.180 0.000 1.052 78 T CB 1.145 70.136 68.868 0.206 0.000 1.715 78 T HN 0.709 nan 8.240 nan 0.000 0.504 79 N N 2.117 120.910 118.700 0.157 0.000 2.710 79 N HA 0.550 5.290 4.740 0.000 0.000 0.257 79 N C -1.960 173.615 175.510 0.109 0.000 1.140 79 N CA -0.568 52.565 53.050 0.139 0.000 0.953 79 N CB 1.716 40.266 38.487 0.106 0.000 1.664 79 N HN 0.551 nan 8.380 nan 0.000 0.497 80 I N 0.926 121.559 120.570 0.105 0.000 3.002 80 I HA 0.474 4.644 4.170 0.000 0.000 0.310 80 I C -0.085 176.041 176.117 0.014 0.000 1.087 80 I CA -0.243 61.079 61.300 0.036 0.000 1.017 80 I CB 2.097 40.131 38.000 0.057 0.000 1.226 80 I HN 0.501 nan 8.210 nan 0.000 0.443 81 S N 2.147 117.823 115.700 -0.039 0.000 2.566 81 S HA 0.005 4.475 4.470 0.000 0.000 0.280 81 S C 0.558 175.144 174.600 -0.023 0.000 1.343 81 S CA 0.385 58.563 58.200 -0.036 0.000 1.036 81 S CB 0.122 63.275 63.200 -0.078 0.000 0.866 81 S HN 0.724 nan 8.310 nan 0.000 0.526 82 D N 0.598 121.004 120.400 0.009 0.000 2.403 82 D HA -0.153 4.487 4.640 0.000 0.000 0.227 82 D C 0.989 177.288 176.300 -0.002 0.000 0.995 82 D CA 0.714 54.749 54.000 0.057 0.000 0.928 82 D CB -0.397 40.483 40.800 0.132 0.000 0.887 82 D HN 0.627 nan 8.370 nan 0.000 0.529 83 N N -0.659 117.899 118.700 -0.237 0.000 2.230 83 N HA -0.017 4.723 4.740 0.000 0.000 0.202 83 N C -0.171 175.147 175.510 -0.321 0.000 1.119 83 N CA -0.266 52.382 53.050 -0.671 0.000 0.851 83 N CB 0.652 38.450 38.487 -1.148 0.000 0.990 83 N HN 0.099 nan 8.380 nan 0.000 0.497 84 S N -1.113 114.516 115.700 -0.117 0.000 2.704 84 S HA 0.869 5.339 4.470 0.000 0.000 0.296 84 S C -0.575 174.086 174.600 0.100 0.000 1.138 84 S CA -0.111 58.085 58.200 -0.007 0.000 0.875 84 S CB 1.879 65.048 63.200 -0.050 0.000 1.151 84 S HN 0.489 nan 8.310 nan 0.000 0.500 85 G N -0.532 108.390 108.800 0.203 0.000 2.349 85 G HA2 0.590 4.550 3.960 0.000 0.000 0.294 85 G HA3 0.590 4.550 3.960 0.000 0.000 0.294 85 G C -0.738 174.226 174.900 0.106 0.000 1.380 85 G CA 0.106 45.299 45.100 0.155 0.000 0.811 85 G HN 1.956 nan 8.290 nan 0.000 0.519 86 C N -2.870 116.356 119.300 -0.123 0.000 3.180 86 C HA 0.802 5.262 4.460 0.000 0.000 0.334 86 C C -1.085 173.681 174.990 -0.372 0.000 1.399 86 C CA -0.608 58.223 59.018 -0.312 0.000 1.185 86 C CB 1.170 28.501 27.740 -0.682 0.000 1.498 86 C HN 2.027 nan 8.230 nan 0.000 0.426 87 C N 1.687 120.728 119.300 -0.430 0.000 2.516 87 C HA 0.790 5.250 4.460 0.000 0.000 0.338 87 C C -0.691 173.975 174.990 -0.539 0.000 1.132 87 C CA -0.242 58.512 59.018 -0.440 0.000 1.310 87 C CB -0.501 27.078 27.740 -0.268 0.000 1.898 87 C HN 0.886 nan 8.230 nan 0.000 0.452 88 L N 5.685 126.437 121.223 -0.786 0.000 2.334 88 L HA 0.749 5.089 4.340 0.000 0.000 0.270 88 L C -0.046 176.471 176.870 -0.589 0.000 1.018 88 L CA -0.530 53.828 54.840 -0.803 0.000 0.811 88 L CB 1.724 43.038 42.059 -1.241 0.000 1.271 88 L HN 0.708 nan 8.230 nan 0.000 0.443 89 M N 3.172 122.573 119.600 -0.332 0.000 2.324 89 M HA 0.431 4.911 4.480 0.000 0.000 0.288 89 M C -2.236 174.048 176.300 -0.027 0.000 1.097 89 M CA -0.664 54.564 55.300 -0.120 0.000 0.928 89 M CB 2.068 34.564 32.600 -0.174 0.000 1.648 89 M HN 0.389 nan 8.290 nan 0.000 0.460 90 L N 4.642 125.902 121.223 0.061 0.000 2.313 90 L HA 0.971 5.311 4.340 0.000 0.000 0.283 90 L C -1.476 175.369 176.870 -0.042 0.000 1.013 90 L CA -0.047 54.824 54.840 0.052 0.000 0.816 90 L CB 1.034 43.160 42.059 0.112 0.000 1.236 90 L HN 0.910 nan 8.230 nan 0.000 0.419 91 A N 5.967 128.775 122.820 -0.021 0.000 2.454 91 A HA 0.880 5.200 4.320 0.000 0.000 0.302 91 A C -1.304 176.252 177.584 -0.046 0.000 1.079 91 A CA -0.576 51.434 52.037 -0.046 0.000 0.731 91 A CB 1.542 20.502 19.000 -0.068 0.000 1.299 91 A HN 0.524 nan 8.150 nan 0.000 0.413 92 I N 1.379 121.904 120.570 -0.075 0.000 2.498 92 I HA 0.429 4.599 4.170 0.000 0.000 0.290 92 I C -0.924 175.152 176.117 -0.069 0.000 1.032 92 I CA -0.572 60.656 61.300 -0.121 0.000 1.073 92 I CB 1.587 39.390 38.000 -0.327 0.000 1.251 92 I HN 0.775 nan 8.210 nan 0.000 0.426 93 N N 2.043 120.709 118.700 -0.058 0.000 2.242 93 N HA 0.320 5.060 4.740 0.000 0.000 0.292 93 N C 0.469 175.960 175.510 -0.032 0.000 1.125 93 N CA -0.565 52.452 53.050 -0.055 0.000 0.783 93 N CB 2.014 40.444 38.487 -0.094 0.000 1.558 93 N HN 0.354 nan 8.380 nan 0.000 0.472 94 S N -0.255 115.430 115.700 -0.024 0.000 2.469 94 S HA 0.164 4.634 4.470 0.000 0.000 0.238 94 S C 0.773 175.367 174.600 -0.011 0.000 0.998 94 S CA 0.772 58.967 58.200 -0.008 0.000 0.957 94 S CB -0.209 62.986 63.200 -0.009 0.000 0.764 94 S HN 0.757 nan 8.310 nan 0.000 0.514 95 G N -0.004 108.775 108.800 -0.035 0.000 2.451 95 G HA2 0.505 4.465 3.960 0.000 0.000 0.292 95 G HA3 0.505 4.465 3.960 0.000 0.000 0.292 95 G C -1.523 173.313 174.900 -0.107 0.000 1.427 95 G CA -0.223 44.861 45.100 -0.028 0.000 0.792 95 G HN 0.538 nan 8.290 nan 0.000 0.498 96 V N -2.467 117.390 119.914 -0.094 0.000 3.078 96 V HA 0.986 5.106 4.120 0.000 0.000 0.311 96 V C -0.629 175.447 176.094 -0.030 0.000 1.138 96 V CA -1.233 60.921 62.300 -0.244 0.000 1.007 96 V CB 2.032 33.507 31.823 -0.581 0.000 1.045 96 V HN 1.268 nan 8.190 nan 0.000 0.432 97 R N 1.375 121.901 120.500 0.043 0.000 2.515 97 R HA 0.637 4.977 4.340 0.000 0.000 0.278 97 R C 0.182 176.579 176.300 0.163 0.000 1.107 97 R CA 0.587 56.746 56.100 0.098 0.000 0.945 97 R CB 1.518 31.844 30.300 0.044 0.000 1.219 97 R HN 2.537 nan 8.270 nan 0.000 0.434 98 G N 3.229 112.117 108.800 0.146 0.000 2.598 98 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 98 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 98 G C -0.745 174.206 174.900 0.085 0.000 1.302 98 G CA -0.252 44.907 45.100 0.098 0.000 0.903 98 G HN 0.510 nan 8.290 nan 0.000 0.575 99 K N 1.777 122.172 120.400 -0.009 0.000 2.751 99 K HA 0.264 4.584 4.320 0.000 0.000 0.252 99 K C 0.664 177.179 176.600 -0.141 0.000 1.277 99 K CA -0.062 56.147 56.287 -0.130 0.000 1.226 99 K CB -0.975 31.467 32.500 -0.097 0.000 1.658 99 K HN 0.527 nan 8.250 nan 0.000 0.303 100 Y N -1.305 118.974 120.300 -0.035 0.000 2.607 100 Y HA 0.034 4.585 4.550 0.000 0.000 0.348 100 Y C 0.745 176.619 175.900 -0.043 0.000 1.261 100 Y CA -0.557 57.519 58.100 -0.039 0.000 1.480 100 Y CB 0.168 38.607 38.460 -0.034 0.000 1.358 100 Y HN 0.097 nan 8.280 nan 0.000 0.630 101 S N 0.765 116.561 115.700 0.160 0.000 2.545 101 S HA 0.268 4.738 4.470 0.000 0.000 0.275 101 S C 0.507 175.200 174.600 0.155 0.000 1.299 101 S CA -0.139 58.109 58.200 0.081 0.000 1.048 101 S CB -0.046 63.189 63.200 0.059 0.000 0.938 101 S HN 0.958 nan 8.310 nan 0.000 0.496 102 T N 1.041 115.636 114.554 0.069 0.000 3.293 102 T HA 0.262 4.612 4.350 0.000 0.000 0.276 102 T C 0.032 174.720 174.700 -0.019 0.000 1.003 102 T CA -0.691 61.448 62.100 0.065 0.000 0.916 102 T CB -0.193 68.708 68.868 0.054 0.000 1.134 102 T HN 0.628 nan 8.240 nan 0.000 0.530 103 D N 1.169 121.558 120.400 -0.018 0.000 2.362 103 D HA 0.075 4.715 4.640 0.000 0.000 0.242 103 D C 1.733 177.955 176.300 -0.130 0.000 1.132 103 D CA -0.246 53.719 54.000 -0.059 0.000 0.907 103 D CB 1.949 42.752 40.800 0.005 0.000 1.195 103 D HN 0.041 nan 8.370 nan 0.000 0.429 104 V N 3.514 123.260 119.914 -0.279 0.000 2.252 104 V HA -0.320 3.800 4.120 0.000 0.000 0.249 104 V C 2.253 178.101 176.094 -0.410 0.000 1.056 104 V CA 1.878 63.869 62.300 -0.515 0.000 1.022 104 V CB -1.406 29.736 31.823 -1.135 0.000 0.641 104 V HN 0.704 nan 8.190 nan 0.000 0.445 105 Y N 2.278 122.348 120.300 -0.383 0.000 2.102 105 Y HA -0.325 4.225 4.550 0.000 0.000 0.280 105 Y C 2.638 178.519 175.900 -0.031 0.000 1.178 105 Y CA 2.628 60.677 58.100 -0.084 0.000 1.146 105 Y CB -0.747 37.747 38.460 0.056 0.000 0.968 105 Y HN 0.287 nan 8.280 nan 0.000 0.504 106 T N 1.405 115.972 114.554 0.022 0.000 2.857 106 T HA -0.120 4.230 4.350 0.000 0.000 0.266 106 T C 1.891 176.516 174.700 -0.125 0.000 1.048 106 T CA 1.781 63.864 62.100 -0.029 0.000 1.139 106 T CB -0.553 68.373 68.868 0.096 0.000 0.874 106 T HN 0.669 nan 8.240 nan 0.000 0.455 107 I N 0.290 120.787 120.570 -0.123 0.000 3.226 107 I HA 0.094 4.264 4.170 0.000 0.000 0.277 107 I C 2.284 178.325 176.117 -0.126 0.000 1.243 107 I CA 0.392 61.621 61.300 -0.118 0.000 1.459 107 I CB -0.666 37.275 38.000 -0.098 0.000 1.093 107 I HN 0.299 nan 8.210 nan 0.000 0.453 108 C N 0.668 119.878 119.300 -0.151 0.000 2.613 108 C HA 0.308 4.768 4.460 0.000 0.000 0.273 108 C C 2.786 177.744 174.990 -0.053 0.000 1.304 108 C CA 0.011 58.972 59.018 -0.094 0.000 1.702 108 C CB -1.858 25.839 27.740 -0.072 0.000 1.792 108 C HN 0.640 nan 8.230 nan 0.000 0.588 109 S N 0.480 116.124 115.700 -0.093 0.000 2.387 109 S HA -0.206 4.264 4.470 0.000 0.000 0.226 109 S C 1.873 176.466 174.600 -0.012 0.000 1.026 109 S CA 1.341 59.499 58.200 -0.069 0.000 0.972 109 S CB -0.458 62.665 63.200 -0.127 0.000 0.814 109 S HN 0.826 nan 8.310 nan 0.000 0.477 110 Q N 1.136 120.929 119.800 -0.012 0.000 1.940 110 Q HA 0.099 4.439 4.340 0.000 0.000 0.200 110 Q C -0.638 175.411 176.000 0.082 0.000 0.977 110 Q CA 0.871 56.692 55.803 0.029 0.000 0.841 110 Q CB 0.378 29.117 28.738 0.002 0.000 0.901 110 Q HN 0.391 nan 8.270 nan 0.000 0.446 111 D N 0.520 120.971 120.400 0.084 0.000 2.788 111 D HA 0.272 4.912 4.640 0.000 0.000 0.247 111 D C -1.423 174.970 176.300 0.154 0.000 1.236 111 D CA -0.033 54.089 54.000 0.202 0.000 0.898 111 D CB 2.010 42.947 40.800 0.229 0.000 1.401 111 D HN 0.282 nan 8.370 nan 0.000 0.549 112 S N 1.609 117.347 115.700 0.063 0.000 2.651 112 S HA 0.821 5.291 4.470 0.000 0.000 0.279 112 S C -0.923 173.342 174.600 -0.559 0.000 1.148 112 S CA -0.857 57.228 58.200 -0.191 0.000 0.837 112 S CB 2.560 65.710 63.200 -0.084 0.000 1.138 112 S HN 0.445 nan 8.310 nan 0.000 0.478 113 M N 2.520 121.777 119.600 -0.572 0.000 2.271 113 M HA 0.538 5.018 4.480 0.000 0.000 0.285 113 M C -1.621 174.692 176.300 0.022 0.000 1.059 113 M CA -0.093 54.930 55.300 -0.461 0.000 0.940 113 M CB 1.982 34.029 32.600 -0.921 0.000 1.636 113 M HN 0.922 nan 8.290 nan 0.000 0.460 114 T N 4.990 119.647 114.554 0.172 0.000 2.881 114 T HA 0.751 5.101 4.350 0.000 0.000 0.291 114 T C -1.622 173.115 174.700 0.062 0.000 0.990 114 T CA -0.274 61.917 62.100 0.151 0.000 0.976 114 T CB 0.643 69.545 68.868 0.056 0.000 0.970 114 T HN 0.907 nan 8.240 nan 0.000 0.438 115 W N 3.757 124.759 121.300 -0.496 0.000 3.039 115 W HA 0.748 5.408 4.660 0.000 0.000 0.354 115 W C -1.388 174.895 176.519 -0.393 0.000 1.206 115 W CA -1.054 55.881 57.345 -0.683 0.000 1.134 115 W CB 1.057 29.713 29.460 -1.341 0.000 1.493 115 W HN 0.566 nan 8.180 nan 0.000 0.591 116 N N 1.236 119.778 118.700 -0.264 0.000 2.524 116 N HA 0.378 5.118 4.740 0.000 0.000 0.261 116 N C -2.144 173.295 175.510 -0.118 0.000 0.998 116 N CA -2.581 50.304 53.050 -0.275 0.000 0.915 116 N CB 2.095 40.485 38.487 -0.162 0.000 1.187 116 N HN 0.092 nan 8.380 nan 0.000 0.507 117 P HA -0.002 nan 4.420 nan 0.000 0.226 117 P C 0.986 178.351 177.300 0.108 0.000 1.146 117 P CA 0.897 64.031 63.100 0.057 0.000 0.773 117 P CB 0.203 31.925 31.700 0.037 0.000 0.772 118 G N -2.272 106.572 108.800 0.074 0.000 2.683 118 G HA2 -0.115 3.845 3.960 0.000 0.000 0.213 118 G HA3 -0.115 3.845 3.960 0.000 0.000 0.213 118 G C 1.193 176.145 174.900 0.087 0.000 1.142 118 G CA 0.349 45.504 45.100 0.091 0.000 0.793 118 G HN 0.279 nan 8.290 nan 0.000 0.534 119 C N -0.369 118.978 119.300 0.078 0.000 2.563 119 C HA 0.385 4.845 4.460 0.000 0.000 0.346 119 C C 0.674 175.733 174.990 0.116 0.000 1.334 119 C CA -0.259 58.812 59.018 0.088 0.000 1.938 119 C CB 0.251 28.028 27.740 0.061 0.000 2.445 119 C HN 0.073 nan 8.230 nan 0.000 0.541 120 K N 2.289 122.778 120.400 0.148 0.000 2.270 120 K HA 0.223 4.543 4.320 0.000 0.000 0.255 120 K C 0.056 176.778 176.600 0.202 0.000 0.936 120 K CA -0.192 56.207 56.287 0.187 0.000 0.809 120 K CB 1.407 34.044 32.500 0.228 0.000 1.131 120 K HN 0.171 nan 8.250 nan 0.000 0.427 121 K N 1.097 121.589 120.400 0.153 0.000 2.410 121 K HA 0.023 4.343 4.320 0.000 0.000 0.200 121 K C -0.567 176.101 176.600 0.115 0.000 1.023 121 K CA 0.101 56.470 56.287 0.137 0.000 1.149 121 K CB -0.511 32.047 32.500 0.097 0.000 0.859 121 K HN 0.763 nan 8.250 nan 0.000 0.514 122 N N -1.315 117.444 118.700 0.098 0.000 4.107 122 N HA 0.362 5.102 4.740 0.000 0.000 0.213 122 N C -1.890 173.596 175.510 -0.041 0.000 1.216 122 N CA -0.854 52.194 53.050 -0.003 0.000 0.925 122 N CB 0.498 38.968 38.487 -0.027 0.000 1.541 122 N HN -0.064 nan 8.380 nan 0.000 0.524 123 F N 0.396 120.021 119.950 -0.542 0.000 2.622 123 F HA 0.725 5.252 4.527 0.000 0.000 0.318 123 F C -1.272 174.210 175.800 -0.531 0.000 1.135 123 F CA 0.062 57.674 58.000 -0.646 0.000 1.015 123 F CB 2.158 40.391 39.000 -1.278 0.000 1.275 123 F HN 0.808 nan 8.300 nan 0.000 0.457 124 S N 4.779 120.158 115.700 -0.536 0.000 2.595 124 S HA 0.912 5.382 4.470 0.000 0.000 0.281 124 S C -1.181 173.333 174.600 -0.144 0.000 1.117 124 S CA -0.873 57.160 58.200 -0.278 0.000 0.873 124 S CB 2.510 65.576 63.200 -0.224 0.000 1.108 124 S HN 0.801 nan 8.310 nan 0.000 0.477 125 F N -0.911 118.908 119.950 -0.217 0.000 2.693 125 F HA 0.782 5.309 4.527 0.000 0.000 0.309 125 F C -1.074 174.738 175.800 0.019 0.000 1.129 125 F CA -0.948 56.988 58.000 -0.106 0.000 0.948 125 F CB 1.186 40.149 39.000 -0.062 0.000 1.315 125 F HN 0.715 nan 8.300 nan 0.000 0.447 126 T N 0.740 115.127 114.554 -0.279 0.000 2.912 126 T HA 0.833 5.183 4.350 0.000 0.000 0.288 126 T C -1.080 173.380 174.700 -0.401 0.000 1.030 126 T CA -0.607 61.281 62.100 -0.354 0.000 1.020 126 T CB 2.001 70.759 68.868 -0.183 0.000 1.056 126 T HN 1.108 nan 8.240 nan 0.000 0.480 127 F N -0.848 118.817 119.950 -0.475 0.000 2.645 127 F HA 0.619 5.146 4.527 0.000 0.000 0.310 127 F C -0.994 174.673 175.800 -0.222 0.000 1.102 127 F CA -1.441 56.351 58.000 -0.347 0.000 0.952 127 F CB 1.610 40.353 39.000 -0.429 0.000 1.326 127 F HN 0.748 nan 8.300 nan 0.000 0.456 128 N N 3.144 121.799 118.700 -0.076 0.000 2.469 128 N HA 0.355 5.095 4.740 0.000 0.000 0.253 128 N C -2.034 173.427 175.510 -0.082 0.000 0.970 128 N CA -2.131 50.831 53.050 -0.147 0.000 0.940 128 N CB 1.706 40.189 38.487 -0.007 0.000 1.128 128 N HN 0.472 nan 8.380 nan 0.000 0.503 129 P HA -0.059 nan 4.420 nan 0.000 0.239 129 P C -0.759 176.527 177.300 -0.022 0.000 1.184 129 P CA 0.790 63.827 63.100 -0.104 0.000 0.760 129 P CB -0.109 31.419 31.700 -0.287 0.000 0.884 130 N N 0.551 119.257 118.700 0.010 0.000 2.746 130 N HA 0.206 4.946 4.740 0.000 0.000 0.250 130 N C -2.028 173.520 175.510 0.064 0.000 1.146 130 N CA -1.964 51.128 53.050 0.071 0.000 0.828 130 N CB 1.336 39.908 38.487 0.141 0.000 1.158 130 N HN -0.226 nan 8.380 nan 0.000 0.519 131 P HA -0.060 nan 4.420 nan 0.000 0.223 131 P C 0.632 177.957 177.300 0.041 0.000 1.144 131 P CA 0.844 63.973 63.100 0.049 0.000 0.783 131 P CB 0.178 31.906 31.700 0.047 0.000 0.771 132 C N -2.428 116.895 119.300 0.038 0.000 2.533 132 C HA 0.409 4.869 4.460 0.000 0.000 0.272 132 C C 1.689 176.698 174.990 0.032 0.000 1.371 132 C CA 0.452 59.488 59.018 0.029 0.000 1.758 132 C CB -1.056 26.697 27.740 0.023 0.000 1.972 132 C HN 0.254 nan 8.230 nan 0.000 0.522 133 G N 0.695 109.523 108.800 0.046 0.000 3.247 133 G HA2 0.486 4.446 3.960 0.000 0.000 0.226 133 G HA3 0.486 4.446 3.960 0.000 0.000 0.226 133 G C -0.988 173.948 174.900 0.061 0.000 1.220 133 G CA 0.356 45.483 45.100 0.046 0.000 0.875 133 G HN 0.275 nan 8.290 nan 0.000 0.606 134 D N -1.143 119.293 120.400 0.059 0.000 2.650 134 D HA 0.298 4.938 4.640 0.000 0.000 0.265 134 D C 0.225 176.574 176.300 0.081 0.000 1.339 134 D CA 0.127 54.167 54.000 0.066 0.000 0.816 134 D CB 0.083 40.904 40.800 0.034 0.000 1.091 134 D HN 0.565 nan 8.370 nan 0.000 0.483 135 S N -1.058 114.712 115.700 0.117 0.000 2.595 135 S HA 0.753 5.223 4.470 0.000 0.000 0.270 135 S C -1.200 173.509 174.600 0.182 0.000 1.145 135 S CA -1.171 57.069 58.200 0.068 0.000 0.825 135 S CB 1.630 64.796 63.200 -0.057 0.000 1.107 135 S HN 0.384 nan 8.310 nan 0.000 0.461 136 W N -0.087 121.184 121.300 -0.049 0.000 3.019 136 W HA 0.836 5.496 4.660 0.000 0.000 0.412 136 W C -1.092 175.375 176.519 -0.087 0.000 1.087 136 W CA -0.464 56.850 57.345 -0.053 0.000 1.170 136 W CB 0.383 29.821 29.460 -0.038 0.000 1.483 136 W HN 1.538 nan 8.180 nan 0.000 0.606 137 S N -1.278 114.485 115.700 0.105 0.000 2.595 137 S HA 0.567 5.037 4.470 0.000 0.000 0.270 137 S C 0.102 174.707 174.600 0.009 0.000 1.145 137 S CA -0.034 58.039 58.200 -0.212 0.000 0.825 137 S CB 1.217 64.318 63.200 -0.165 0.000 1.107 137 S HN 1.325 nan 8.310 nan 0.000 0.461 138 A N 1.065 123.718 122.820 -0.279 0.000 1.877 138 A HA -0.032 4.288 4.320 0.000 0.000 0.216 138 A C 1.941 179.593 177.584 0.114 0.000 1.186 138 A CA 2.250 54.178 52.037 -0.182 0.000 0.620 138 A CB -1.373 17.279 19.000 -0.579 0.000 0.822 138 A HN 1.001 nan 8.150 nan 0.000 0.443 139 E N -0.503 119.706 120.200 0.016 0.000 2.085 139 E HA -0.203 4.147 4.350 0.000 0.000 0.194 139 E C 1.986 178.565 176.600 -0.035 0.000 0.994 139 E CA 1.625 58.013 56.400 -0.020 0.000 0.801 139 E CB -0.301 29.386 29.700 -0.022 0.000 0.743 139 E HN 0.599 nan 8.360 nan 0.000 0.453 140 M N 0.335 119.940 119.600 0.008 0.000 2.059 140 M HA -0.145 4.335 4.480 0.000 0.000 0.259 140 M C 2.275 178.591 176.300 0.027 0.000 1.072 140 M CA 2.071 57.383 55.300 0.019 0.000 1.117 140 M CB -0.377 32.260 32.600 0.060 0.000 1.320 140 M HN 0.361 nan 8.290 nan 0.000 0.408 141 I N -2.207 118.425 120.570 0.103 0.000 2.567 141 I HA -0.174 3.996 4.170 0.000 0.000 0.257 141 I C 2.283 178.412 176.117 0.021 0.000 1.184 141 I CA 1.555 62.912 61.300 0.095 0.000 1.451 141 I CB -0.586 37.513 38.000 0.166 0.000 1.089 141 I HN 0.309 nan 8.210 nan 0.000 0.441 142 S N 1.790 117.454 115.700 -0.060 0.000 2.325 142 S HA -0.064 4.406 4.470 0.000 0.000 0.214 142 S C 2.224 176.640 174.600 -0.306 0.000 1.031 142 S CA 0.684 58.683 58.200 -0.335 0.000 0.972 142 S CB -0.190 62.526 63.200 -0.807 0.000 0.908 142 S HN 0.459 nan 8.310 nan 0.000 0.453 143 R N 1.392 121.753 120.500 -0.231 0.000 2.127 143 R HA -0.027 4.313 4.340 0.000 0.000 0.238 143 R C 2.449 178.656 176.300 -0.155 0.000 1.134 143 R CA 1.497 57.486 56.100 -0.185 0.000 0.975 143 R CB -1.034 29.189 30.300 -0.128 0.000 0.865 143 R HN 0.686 nan 8.270 nan 0.000 0.447 144 S N -0.002 115.627 115.700 -0.120 0.000 2.593 144 S HA 0.093 4.563 4.470 0.000 0.000 0.217 144 S C 0.433 174.966 174.600 -0.111 0.000 0.966 144 S CA -0.360 57.787 58.200 -0.088 0.000 0.914 144 S CB 0.018 63.195 63.200 -0.039 0.000 0.776 144 S HN 0.243 nan 8.310 nan 0.000 0.523 145 R N 0.164 120.540 120.500 -0.207 0.000 3.261 145 R HA -0.093 4.247 4.340 0.000 0.000 0.257 145 R C -1.052 175.233 176.300 -0.026 0.000 1.014 145 R CA 0.385 56.300 56.100 -0.309 0.000 0.681 145 R CB -2.500 27.612 30.300 -0.314 0.000 1.155 145 R HN 0.367 nan 8.270 nan 0.000 0.424 146 V N 1.781 121.714 119.914 0.032 0.000 2.572 146 V HA 0.135 4.255 4.120 0.000 0.000 0.291 146 V C 1.258 177.483 176.094 0.218 0.000 1.039 146 V CA 0.156 62.517 62.300 0.101 0.000 1.055 146 V CB 1.110 32.983 31.823 0.083 0.000 0.969 146 V HN 0.175 nan 8.190 nan 0.000 0.482 147 R N 4.448 125.033 120.500 0.141 0.000 2.486 147 R HA 0.536 4.876 4.340 0.000 0.000 0.286 147 R C -0.519 175.791 176.300 0.017 0.000 0.999 147 R CA -0.619 55.526 56.100 0.075 0.000 0.993 147 R CB 1.643 31.899 30.300 -0.073 0.000 1.084 147 R HN 0.610 nan 8.270 nan 0.000 0.487 148 M N 2.435 122.043 119.600 0.014 0.000 2.106 148 M HA 0.294 4.774 4.480 0.000 0.000 0.288 148 M C -1.497 174.824 176.300 0.035 0.000 0.941 148 M CA -0.195 55.127 55.300 0.037 0.000 0.934 148 M CB 1.694 34.338 32.600 0.073 0.000 1.551 148 M HN 0.398 nan 8.290 nan 0.000 0.437 149 T N 4.040 118.607 114.554 0.022 0.000 2.841 149 T HA 0.683 5.033 4.350 0.000 0.000 0.283 149 T C -0.694 174.017 174.700 0.019 0.000 1.000 149 T CA -0.509 61.601 62.100 0.016 0.000 0.977 149 T CB 2.166 71.031 68.868 -0.005 0.000 0.979 149 T HN 0.488 nan 8.240 nan 0.000 0.446 150 V N 4.925 124.850 119.914 0.018 0.000 2.487 150 V HA 0.659 4.779 4.120 0.000 0.000 0.298 150 V C -0.087 175.971 176.094 -0.059 0.000 1.028 150 V CA -0.853 61.446 62.300 -0.001 0.000 0.860 150 V CB 1.052 32.898 31.823 0.039 0.000 0.991 150 V HN 0.879 nan 8.190 nan 0.000 0.427 151 I N 1.476 121.977 120.570 -0.115 0.000 3.042 151 I HA 0.707 4.877 4.170 0.000 0.000 0.310 151 I C -0.454 175.528 176.117 -0.226 0.000 1.117 151 I CA -0.724 60.484 61.300 -0.152 0.000 1.003 151 I CB 2.160 40.069 38.000 -0.153 0.000 1.228 151 I HN 0.617 nan 8.210 nan 0.000 0.443 152 C N 4.140 123.300 119.300 -0.234 0.000 2.281 152 C HA 0.483 4.943 4.460 0.000 0.000 0.336 152 C C 1.486 176.313 174.990 -0.271 0.000 1.217 152 C CA -0.218 58.619 59.018 -0.301 0.000 1.730 152 C CB -0.209 27.354 27.740 -0.296 0.000 2.338 152 C HN 0.664 nan 8.230 nan 0.000 0.521 153 V N 4.582 124.319 119.914 -0.295 0.000 2.871 153 V HA 0.106 4.226 4.120 0.000 0.000 0.256 153 V C 1.162 177.140 176.094 -0.192 0.000 1.082 153 V CA 1.408 63.553 62.300 -0.258 0.000 1.105 153 V CB -0.244 31.412 31.823 -0.278 0.000 0.713 153 V HN 0.908 nan 8.190 nan 0.000 0.473 154 S N -1.183 114.383 115.700 -0.224 0.000 2.562 154 S HA 0.627 5.097 4.470 0.000 0.000 0.274 154 S C -0.123 174.320 174.600 -0.262 0.000 1.160 154 S CA -0.142 57.948 58.200 -0.183 0.000 0.933 154 S CB 1.335 64.452 63.200 -0.139 0.000 1.100 154 S HN 0.418 nan 8.310 nan 0.000 0.468 155 G N 1.920 110.593 108.800 -0.211 0.000 2.588 155 G HA2 0.441 4.401 3.960 0.000 0.000 0.281 155 G HA3 0.441 4.401 3.960 0.000 0.000 0.281 155 G C -0.658 174.138 174.900 -0.173 0.000 1.236 155 G CA -0.881 44.061 45.100 -0.263 0.000 0.969 155 G HN 0.722 nan 8.290 nan 0.000 0.504 156 W N -0.411 120.843 121.300 -0.077 0.000 2.295 156 W HA 0.244 4.904 4.660 0.000 0.000 0.335 156 W C 1.667 178.154 176.519 -0.052 0.000 1.351 156 W CA -0.223 57.080 57.345 -0.070 0.000 1.273 156 W CB 0.398 29.820 29.460 -0.064 0.000 1.214 156 W HN 0.422 nan 8.180 nan 0.000 0.563 157 T N 2.455 117.138 114.554 0.215 0.000 2.821 157 T HA -0.116 4.234 4.350 0.000 0.000 0.267 157 T C -0.089 174.667 174.700 0.093 0.000 1.046 157 T CA 0.696 62.868 62.100 0.121 0.000 1.139 157 T CB -0.165 68.762 68.868 0.098 0.000 0.871 157 T HN 0.147 nan 8.240 nan 0.000 0.454 158 L N 1.152 122.421 121.223 0.076 0.000 2.441 158 L HA 0.518 4.858 4.340 0.000 0.000 0.270 158 L C -0.644 176.157 176.870 -0.115 0.000 0.973 158 L CA -0.640 54.187 54.840 -0.023 0.000 0.842 158 L CB 1.658 43.670 42.059 -0.079 0.000 1.239 158 L HN -0.176 nan 8.230 nan 0.000 0.406 159 S N 6.234 121.844 115.700 -0.149 0.000 2.560 159 S HA 0.324 4.795 4.470 0.000 0.000 0.284 159 S C -2.245 172.078 174.600 -0.461 0.000 1.327 159 S CA -0.415 57.568 58.200 -0.361 0.000 1.055 159 S CB 0.111 63.189 63.200 -0.204 0.000 0.868 159 S HN 0.612 nan 8.310 nan 0.000 0.506 160 P HA 0.140 nan 4.420 nan 0.000 0.274 160 P C 0.874 177.985 177.300 -0.316 0.000 1.237 160 P CA -0.329 62.455 63.100 -0.527 0.000 0.793 160 P CB 0.448 31.738 31.700 -0.683 0.000 0.977 161 T N -2.222 112.205 114.554 -0.212 0.000 3.007 161 T HA 0.019 4.369 4.350 0.000 0.000 0.270 161 T C 0.673 175.305 174.700 -0.115 0.000 1.107 161 T CA 1.005 63.021 62.100 -0.140 0.000 1.118 161 T CB -0.490 68.317 68.868 -0.102 0.000 0.889 161 T HN 0.423 nan 8.240 nan 0.000 0.506 162 T N 1.224 115.701 114.554 -0.128 0.000 2.887 162 T HA 0.454 4.804 4.350 0.000 0.000 0.292 162 T C -1.236 173.418 174.700 -0.077 0.000 1.087 162 T CA -0.827 61.224 62.100 -0.082 0.000 1.009 162 T CB 1.826 70.658 68.868 -0.060 0.000 1.203 162 T HN 0.095 nan 8.240 nan 0.000 0.518 163 D N 1.037 121.422 120.400 -0.025 0.000 2.362 163 D HA 0.419 5.059 4.640 0.000 0.000 0.242 163 D C -0.213 176.105 176.300 0.030 0.000 1.132 163 D CA 0.041 54.053 54.000 0.020 0.000 0.907 163 D CB 0.980 41.801 40.800 0.036 0.000 1.195 163 D HN 0.070 nan 8.370 nan 0.000 0.429 164 V N 2.063 122.034 119.914 0.094 0.000 2.881 164 V HA 0.508 4.628 4.120 0.000 0.000 0.316 164 V C 0.311 176.474 176.094 0.115 0.000 1.070 164 V CA -0.753 61.613 62.300 0.111 0.000 0.976 164 V CB 1.970 33.917 31.823 0.207 0.000 1.038 164 V HN 0.358 nan 8.190 nan 0.000 0.446 165 I N 1.861 122.489 120.570 0.097 0.000 2.545 165 I HA 0.713 4.883 4.170 0.000 0.000 0.292 165 I C -0.149 176.025 176.117 0.095 0.000 1.040 165 I CA -0.646 60.705 61.300 0.085 0.000 1.068 165 I CB 2.044 40.084 38.000 0.066 0.000 1.251 165 I HN 0.703 nan 8.210 nan 0.000 0.424 166 A N 5.473 128.351 122.820 0.095 0.000 2.330 166 A HA 0.690 5.010 4.320 0.000 0.000 0.327 166 A C -0.733 176.901 177.584 0.084 0.000 1.155 166 A CA -0.591 51.513 52.037 0.112 0.000 0.803 166 A CB 1.218 20.305 19.000 0.144 0.000 1.208 166 A HN 0.647 nan 8.150 nan 0.000 0.477 167 K N 1.986 122.422 120.400 0.060 0.000 2.265 167 K HA 0.570 4.890 4.320 0.000 0.000 0.267 167 K C -1.323 175.254 176.600 -0.037 0.000 0.994 167 K CA -0.348 55.953 56.287 0.022 0.000 0.860 167 K CB 0.689 33.194 32.500 0.010 0.000 1.099 167 K HN 0.500 nan 8.250 nan 0.000 0.448 168 L N 3.358 124.544 121.223 -0.062 0.000 2.312 168 L HA 0.380 4.720 4.340 0.000 0.000 0.281 168 L C -0.339 176.325 176.870 -0.343 0.000 1.070 168 L CA 0.157 54.852 54.840 -0.240 0.000 0.805 168 L CB 1.408 43.349 42.059 -0.196 0.000 1.174 168 L HN 0.658 nan 8.230 nan 0.000 0.434 169 D N 2.431 122.520 120.400 -0.518 0.000 2.502 169 D HA 0.273 4.913 4.640 0.000 0.000 0.249 169 D C -1.396 174.507 176.300 -0.662 0.000 1.092 169 D CA -0.208 53.506 54.000 -0.477 0.000 0.839 169 D CB 1.297 41.890 40.800 -0.346 0.000 1.264 169 D HN 0.322 nan 8.370 nan 0.000 0.511 170 W N 1.688 122.689 121.300 -0.498 0.000 2.376 170 W HA 0.399 5.059 4.660 0.000 0.000 0.312 170 W C 0.067 176.111 176.519 -0.792 0.000 1.060 170 W CA -0.409 56.527 57.345 -0.682 0.000 1.221 170 W CB 1.430 30.234 29.460 -1.093 0.000 1.281 170 W HN 0.056 nan 8.180 nan 0.000 0.456 171 S N 2.613 118.217 115.700 -0.160 0.000 2.627 171 S HA 0.638 5.108 4.470 0.000 0.000 0.283 171 S C -0.978 173.796 174.600 0.290 0.000 1.127 171 S CA -0.923 57.309 58.200 0.053 0.000 0.863 171 S CB 1.644 64.829 63.200 -0.025 0.000 1.121 171 S HN 0.288 nan 8.310 nan 0.000 0.479 172 I N 2.124 122.893 120.570 0.331 0.000 2.377 172 I HA 0.502 4.673 4.170 0.000 0.000 0.293 172 I C -0.254 175.945 176.117 0.137 0.000 0.987 172 I CA -0.776 60.691 61.300 0.279 0.000 1.185 172 I CB 1.477 39.651 38.000 0.289 0.000 1.341 172 I HN 0.497 nan 8.210 nan 0.000 0.455 173 V N 2.290 122.258 119.914 0.089 0.000 3.103 173 V HA 0.506 4.626 4.120 0.000 0.000 0.318 173 V C 0.119 176.233 176.094 0.034 0.000 1.114 173 V CA -0.858 61.465 62.300 0.039 0.000 1.020 173 V CB 1.802 33.625 31.823 0.001 0.000 1.085 173 V HN 0.726 nan 8.190 nan 0.000 0.446 174 N N 0.759 119.468 118.700 0.015 0.000 2.410 174 N HA 0.130 4.870 4.740 0.000 0.000 0.231 174 N C 0.191 175.704 175.510 0.004 0.000 1.172 174 N CA 0.027 53.083 53.050 0.009 0.000 0.849 174 N CB -0.385 38.102 38.487 0.001 0.000 1.116 174 N HN 0.868 nan 8.380 nan 0.000 0.485 175 E N 0.396 120.599 120.200 0.005 0.000 2.318 175 E HA 0.111 4.461 4.350 0.000 0.000 0.265 175 E C 0.022 176.630 176.600 0.012 0.000 1.069 175 E CA -0.747 55.654 56.400 0.000 0.000 0.893 175 E CB 0.771 30.464 29.700 -0.011 0.000 1.076 175 E HN 0.201 nan 8.360 nan 0.000 0.414 176 K N 0.892 121.298 120.400 0.010 0.000 2.144 176 K HA 0.238 4.558 4.320 0.000 0.000 0.270 176 K C -0.673 175.946 176.600 0.032 0.000 1.005 176 K CA -0.473 55.825 56.287 0.020 0.000 0.932 176 K CB 0.872 33.379 32.500 0.010 0.000 1.021 176 K HN 0.415 nan 8.250 nan 0.000 0.462 177 C N 2.126 121.460 119.300 0.056 0.000 2.536 177 C HA 0.350 4.810 4.460 0.000 0.000 0.396 177 C C 0.095 175.116 174.990 0.051 0.000 1.279 177 C CA -0.251 58.810 59.018 0.073 0.000 2.148 177 C CB -0.602 27.223 27.740 0.141 0.000 2.584 177 C HN 0.789 nan 8.230 nan 0.000 0.579 178 E N 3.216 123.443 120.200 0.044 0.000 2.314 178 E HA 0.400 4.750 4.350 0.000 0.000 0.272 178 E C -2.452 174.170 176.600 0.037 0.000 0.884 178 E CA -1.288 55.133 56.400 0.035 0.000 0.753 178 E CB 2.201 31.916 29.700 0.025 0.000 1.213 178 E HN 0.489 nan 8.360 nan 0.000 0.432 179 P HA 0.100 nan 4.420 nan 0.000 0.274 179 P C -0.667 176.644 177.300 0.018 0.000 1.237 179 P CA -0.347 62.770 63.100 0.029 0.000 0.793 179 P CB 0.779 32.492 31.700 0.022 0.000 0.977 180 T N 2.129 116.692 114.554 0.015 0.000 3.209 180 T HA 0.413 4.763 4.350 0.000 0.000 0.366 180 T C 0.201 174.885 174.700 -0.026 0.000 1.293 180 T CA -0.218 61.870 62.100 -0.019 0.000 1.417 180 T CB -0.437 68.446 68.868 0.025 0.000 1.013 180 T HN 0.240 nan 8.240 nan 0.000 0.572 181 I N 2.319 122.853 120.570 -0.060 0.000 2.385 181 I HA 0.439 4.609 4.170 0.000 0.000 0.294 181 I C -0.637 175.390 176.117 -0.149 0.000 0.988 181 I CA -0.984 60.296 61.300 -0.034 0.000 1.265 181 I CB 1.190 39.194 38.000 0.007 0.000 1.388 181 I HN 0.397 nan 8.210 nan 0.000 0.480 182 Y N 4.237 124.354 120.300 -0.306 0.000 2.361 182 Y HA 0.424 4.974 4.550 0.000 0.000 0.332 182 Y C 0.145 175.844 175.900 -0.334 0.000 1.101 182 Y CA -0.382 57.387 58.100 -0.552 0.000 1.137 182 Y CB 1.181 38.883 38.460 -1.263 0.000 1.207 182 Y HN 0.580 nan 8.280 nan 0.000 0.463 183 H N -1.050 118.125 119.070 0.175 0.000 2.949 183 H HA 0.569 5.125 4.556 0.000 0.000 0.356 183 H C -1.309 174.503 175.328 0.807 0.000 1.212 183 H CA -1.282 55.038 56.048 0.453 0.000 1.136 183 H CB 0.935 30.838 29.762 0.236 0.000 1.869 183 H HN 0.524 nan 8.280 nan 0.000 0.556 184 L N 1.099 122.745 121.223 0.704 0.000 2.998 184 L HA 0.494 4.834 4.340 0.000 0.000 0.234 184 L C 0.215 177.421 176.870 0.561 0.000 1.350 184 L CA -0.349 54.804 54.840 0.521 0.000 1.202 184 L CB -0.454 41.706 42.059 0.168 0.000 1.583 184 L HN 0.700 nan 8.230 nan 0.000 0.456 185 A N -0.665 122.522 122.820 0.611 0.000 2.320 185 A HA 0.225 4.545 4.320 0.000 0.000 0.287 185 A C 0.791 178.618 177.584 0.405 0.000 1.181 185 A CA -0.564 51.756 52.037 0.472 0.000 0.831 185 A CB 0.407 19.708 19.000 0.502 0.000 1.102 185 A HN 0.320 nan 8.150 nan 0.000 0.513 186 D N 1.002 121.587 120.400 0.308 0.000 2.149 186 D HA -0.096 4.544 4.640 0.000 0.000 0.198 186 D C 0.160 176.380 176.300 -0.133 0.000 0.990 186 D CA 1.374 55.450 54.000 0.127 0.000 0.839 186 D CB -0.110 40.754 40.800 0.107 0.000 0.948 186 D HN 0.496 nan 8.370 nan 0.000 0.460 187 C N 1.059 120.358 119.300 -0.003 0.000 2.345 187 C HA 0.540 5.000 4.460 0.000 0.000 0.323 187 C C -0.130 174.926 174.990 0.111 0.000 1.276 187 C CA -0.815 58.182 59.018 -0.035 0.000 1.543 187 C CB 1.294 29.016 27.740 -0.030 0.000 2.211 187 C HN 0.140 nan 8.230 nan 0.000 0.493 188 Q N 1.376 121.274 119.800 0.163 0.000 2.359 188 Q HA 0.264 4.604 4.340 0.000 0.000 0.274 188 Q C 0.044 176.143 176.000 0.164 0.000 1.074 188 Q CA -0.415 55.498 55.803 0.183 0.000 0.810 188 Q CB 1.920 30.740 28.738 0.136 0.000 1.342 188 Q HN 0.845 nan 8.270 nan 0.000 0.427 189 N N 0.087 118.883 118.700 0.160 0.000 2.422 189 N HA -0.013 4.727 4.740 0.000 0.000 0.181 189 N C -0.553 175.126 175.510 0.283 0.000 1.080 189 N CA 0.094 53.252 53.050 0.180 0.000 0.893 189 N CB 0.731 39.302 38.487 0.140 0.000 0.973 189 N HN 0.534 nan 8.380 nan 0.000 0.456 190 W N 0.705 121.990 121.300 -0.024 0.000 3.089 190 W HA 0.418 5.078 4.660 0.000 0.000 0.333 190 W C -2.129 174.307 176.519 -0.139 0.000 1.053 190 W CA -1.019 56.276 57.345 -0.084 0.000 1.257 190 W CB 1.097 30.500 29.460 -0.095 0.000 1.281 190 W HN -0.126 nan 8.180 nan 0.000 0.427 191 L N 9.946 130.718 121.223 -0.752 0.000 2.283 191 L HA 0.531 4.871 4.340 0.000 0.000 0.281 191 L C -2.126 174.141 176.870 -1.005 0.000 1.033 191 L CA -2.267 52.111 54.840 -0.769 0.000 0.848 191 L CB 1.017 42.589 42.059 -0.812 0.000 1.226 191 L HN 0.093 nan 8.230 nan 0.000 0.429 192 P HA 0.111 nan 4.420 nan 0.000 0.282 192 P C -0.306 176.866 177.300 -0.212 0.000 1.262 192 P CA -0.294 62.488 63.100 -0.530 0.000 0.773 192 P CB 2.124 33.729 31.700 -0.159 0.000 0.879 193 L N 2.965 124.071 121.223 -0.195 0.000 2.600 193 L HA 0.238 4.578 4.340 0.000 0.000 0.213 193 L C 0.848 177.704 176.870 -0.023 0.000 1.045 193 L CA 0.810 55.597 54.840 -0.090 0.000 0.863 193 L CB -1.243 40.726 42.059 -0.149 0.000 1.189 193 L HN 0.345 nan 8.230 nan 0.000 0.484 194 N N 0.983 119.687 118.700 0.007 0.000 2.721 194 N HA -0.222 4.518 4.740 0.000 0.000 0.249 194 N C 0.157 175.706 175.510 0.065 0.000 1.072 194 N CA 0.508 53.597 53.050 0.066 0.000 0.710 194 N CB -0.855 37.672 38.487 0.067 0.000 0.993 194 N HN 0.167 nan 8.380 nan 0.000 0.547 195 R N 0.900 121.441 120.500 0.068 0.000 2.248 195 R HA 0.052 4.392 4.340 0.000 0.000 0.328 195 R C -0.046 176.398 176.300 0.240 0.000 1.067 195 R CA -0.325 55.836 56.100 0.101 0.000 0.924 195 R CB 0.025 30.393 30.300 0.113 0.000 1.013 195 R HN 0.283 nan 8.270 nan 0.000 0.454 196 W N 7.525 128.865 121.300 0.068 0.000 2.381 196 W HA -0.043 4.617 4.660 0.000 0.000 0.321 196 W C 0.142 176.812 176.519 0.252 0.000 1.407 196 W CA -0.350 57.094 57.345 0.166 0.000 1.274 196 W CB 0.758 30.313 29.460 0.157 0.000 1.310 196 W HN 0.522 nan 8.180 nan 0.000 0.551 197 M N 4.642 124.127 119.600 -0.192 0.000 2.476 197 M HA 0.175 4.655 4.480 0.000 0.000 0.262 197 M C 0.942 177.103 176.300 -0.231 0.000 1.111 197 M CA 1.083 56.316 55.300 -0.111 0.000 1.127 197 M CB -0.788 31.770 32.600 -0.069 0.000 1.376 197 M HN 0.562 nan 8.290 nan 0.000 0.465 198 G N 0.789 109.172 108.800 -0.694 0.000 2.359 198 G HA2 0.029 3.989 3.960 0.000 0.000 0.314 198 G HA3 0.029 3.989 3.960 0.000 0.000 0.314 198 G C -1.525 173.234 174.900 -0.236 0.000 1.364 198 G CA -1.005 43.948 45.100 -0.244 0.000 0.978 198 G HN 0.157 nan 8.290 nan 0.000 0.615 199 K N 0.544 121.006 120.400 0.103 0.000 2.367 199 K HA 0.675 4.995 4.320 0.000 0.000 0.263 199 K C -0.261 176.310 176.600 -0.049 0.000 1.000 199 K CA -0.798 55.550 56.287 0.101 0.000 0.891 199 K CB 0.647 33.285 32.500 0.230 0.000 1.117 199 K HN 0.454 nan 8.250 nan 0.000 0.443 200 L N 3.661 124.816 121.223 -0.112 0.000 2.292 200 L HA 0.353 4.693 4.340 0.000 0.000 0.284 200 L C -0.251 176.415 176.870 -0.339 0.000 1.065 200 L CA -0.601 54.071 54.840 -0.281 0.000 0.806 200 L CB 1.715 43.651 42.059 -0.204 0.000 1.175 200 L HN 0.663 nan 8.230 nan 0.000 0.431 201 T N 3.225 117.494 114.554 -0.475 0.000 2.815 201 T HA 0.531 4.881 4.350 0.000 0.000 0.289 201 T C -0.693 173.779 174.700 -0.378 0.000 1.000 201 T CA -0.290 61.642 62.100 -0.280 0.000 0.958 201 T CB 0.435 69.215 68.868 -0.148 0.000 0.944 201 T HN 0.117 nan 8.240 nan 0.000 0.442 202 F N 5.479 125.491 119.950 0.104 0.000 2.402 202 F HA 0.405 4.932 4.527 0.000 0.000 0.355 202 F C -1.938 173.938 175.800 0.127 0.000 1.123 202 F CA -2.567 55.511 58.000 0.130 0.000 1.021 202 F CB 1.636 40.764 39.000 0.214 0.000 1.160 202 F HN 0.274 nan 8.300 nan 0.000 0.451 203 P HA 0.042 nan 4.420 nan 0.000 0.275 203 P C -1.056 176.333 177.300 0.148 0.000 1.228 203 P CA -0.382 62.808 63.100 0.150 0.000 0.786 203 P CB 0.875 32.632 31.700 0.094 0.000 0.927 204 Q N 0.654 120.522 119.800 0.114 0.000 2.313 204 Q HA 0.506 4.846 4.340 0.000 0.000 0.266 204 Q C 0.595 176.628 176.000 0.055 0.000 0.989 204 Q CA 0.436 56.288 55.803 0.081 0.000 0.890 204 Q CB 0.479 29.259 28.738 0.071 0.000 1.200 204 Q HN 0.772 nan 8.270 nan 0.000 0.396 205 G N -0.190 108.631 108.800 0.034 0.000 2.358 205 G HA2 0.006 3.966 3.960 0.000 0.000 0.303 205 G HA3 0.006 3.966 3.960 0.000 0.000 0.303 205 G C -0.312 174.590 174.900 0.004 0.000 1.537 205 G CA -0.971 44.142 45.100 0.021 0.000 0.928 205 G HN 0.348 nan 8.290 nan 0.000 0.656 206 V N 0.625 120.537 119.914 -0.004 0.000 3.444 206 V HA 0.070 4.190 4.120 0.000 0.000 0.271 206 V C 2.009 178.093 176.094 -0.016 0.000 1.188 206 V CA 1.965 64.255 62.300 -0.017 0.000 1.168 206 V CB -0.423 31.389 31.823 -0.017 0.000 0.810 206 V HN 0.943 nan 8.190 nan 0.000 0.500 207 T N 0.335 114.889 114.554 -0.000 0.000 2.766 207 T HA 0.200 4.551 4.350 0.000 0.000 0.295 207 T C 0.426 175.127 174.700 0.003 0.000 1.024 207 T CA 0.113 62.217 62.100 0.006 0.000 1.018 207 T CB 0.809 69.692 68.868 0.024 0.000 1.002 207 T HN 0.531 nan 8.240 nan 0.000 0.532 208 S N 2.695 118.401 115.700 0.009 0.000 2.433 208 S HA 0.563 5.033 4.470 0.000 0.000 0.310 208 S C -0.889 173.738 174.600 0.045 0.000 1.097 208 S CA -0.941 57.264 58.200 0.008 0.000 1.103 208 S CB 1.129 64.327 63.200 -0.003 0.000 0.992 208 S HN 0.688 nan 8.310 nan 0.000 0.469 209 E N 2.195 122.434 120.200 0.066 0.000 2.199 209 E HA 0.598 4.948 4.350 0.000 0.000 0.269 209 E C -1.085 175.589 176.600 0.122 0.000 0.899 209 E CA -0.829 55.656 56.400 0.142 0.000 0.772 209 E CB 2.232 32.130 29.700 0.330 0.000 1.155 209 E HN 0.494 nan 8.360 nan 0.000 0.408 210 V N 3.377 123.349 119.914 0.096 0.000 2.638 210 V HA 0.444 4.564 4.120 0.000 0.000 0.306 210 V C -0.421 175.672 176.094 -0.002 0.000 1.052 210 V CA -0.883 61.435 62.300 0.032 0.000 0.885 210 V CB 2.057 33.899 31.823 0.031 0.000 0.999 210 V HN 0.446 nan 8.190 nan 0.000 0.424 211 R N 3.568 124.043 120.500 -0.042 0.000 2.534 211 R HA 0.631 4.971 4.340 0.000 0.000 0.301 211 R C -0.730 175.398 176.300 -0.288 0.000 0.961 211 R CA -0.721 55.303 56.100 -0.126 0.000 0.871 211 R CB 2.281 32.537 30.300 -0.074 0.000 1.170 211 R HN 0.615 nan 8.270 nan 0.000 0.446 212 R N 2.476 122.772 120.500 -0.340 0.000 2.360 212 R HA 0.468 4.808 4.340 0.000 0.000 0.318 212 R C -0.368 175.867 176.300 -0.108 0.000 0.950 212 R CA -0.336 55.476 56.100 -0.481 0.000 0.837 212 R CB 1.614 31.492 30.300 -0.704 0.000 1.165 212 R HN 0.384 nan 8.270 nan 0.000 0.458 213 M N 4.608 124.190 119.600 -0.030 0.000 2.205 213 M HA 0.381 4.862 4.480 0.000 0.000 0.344 213 M C -2.316 173.992 176.300 0.013 0.000 1.085 213 M CA -2.108 53.202 55.300 0.015 0.000 1.001 213 M CB 2.253 34.824 32.600 -0.049 0.000 1.626 213 M HN 0.158 nan 8.290 nan 0.000 0.442 214 P HA 0.162 nan 4.420 nan 0.000 0.276 214 P C -0.056 177.079 177.300 -0.274 0.000 1.230 214 P CA -0.192 62.537 63.100 -0.619 0.000 0.776 214 P CB 0.671 32.086 31.700 -0.475 0.000 0.888 215 L N 0.992 122.013 121.223 -0.336 0.000 2.567 215 L HA 0.023 4.363 4.340 0.000 0.000 0.225 215 L C 0.722 177.779 176.870 0.311 0.000 1.119 215 L CA 0.531 55.363 54.840 -0.013 0.000 0.871 215 L CB -0.307 41.603 42.059 -0.248 0.000 1.036 215 L HN 0.329 nan 8.230 nan 0.000 0.459 216 S N 1.280 117.057 115.700 0.128 0.000 4.139 216 S HA 0.160 4.630 4.470 0.000 0.000 0.215 216 S C 1.144 175.880 174.600 0.227 0.000 1.390 216 S CA -0.423 57.967 58.200 0.318 0.000 0.885 216 S CB -0.878 62.410 63.200 0.148 0.000 1.560 216 S HN 0.424 nan 8.310 nan 0.000 0.449 217 I N -1.069 119.686 120.570 0.309 0.000 3.605 217 I HA 0.284 4.454 4.170 0.000 0.000 0.301 217 I C 0.967 177.154 176.117 0.118 0.000 1.267 217 I CA -0.623 60.788 61.300 0.185 0.000 1.236 217 I CB -0.958 37.160 38.000 0.195 0.000 1.010 217 I HN 0.426 nan 8.210 nan 0.000 0.491 218 G N 0.744 109.605 108.800 0.103 0.000 2.594 218 G HA2 0.423 4.383 3.960 0.000 0.000 0.243 218 G HA3 0.423 4.383 3.960 0.000 0.000 0.243 218 G C 0.692 175.604 174.900 0.019 0.000 1.229 218 G CA 0.324 45.451 45.100 0.046 0.000 0.843 218 G HN 0.692 nan 8.290 nan 0.000 0.578 219 G N -0.094 108.707 108.800 0.002 0.000 3.594 219 G HA2 0.343 4.303 3.960 0.000 0.000 0.285 219 G HA3 0.343 4.303 3.960 0.000 0.000 0.285 219 G C 0.803 175.766 174.900 0.106 0.000 1.551 219 G CA 0.958 46.033 45.100 -0.042 0.000 1.061 219 G HN 2.552 nan 8.290 nan 0.000 0.624 220 G N -1.165 107.694 108.800 0.100 0.000 2.356 220 G HA2 0.686 4.646 3.960 0.000 0.000 0.281 220 G HA3 0.686 4.646 3.960 0.000 0.000 0.281 220 G C -0.552 174.295 174.900 -0.088 0.000 1.246 220 G CA 0.994 46.184 45.100 0.150 0.000 0.889 220 G HN 2.179 nan 8.290 nan 0.000 0.486 221 A N -0.505 122.039 122.820 -0.460 0.000 2.309 221 A HA 0.772 5.092 4.320 0.000 0.000 0.298 221 A C 0.865 178.352 177.584 -0.163 0.000 1.165 221 A CA 0.536 52.287 52.037 -0.477 0.000 0.821 221 A CB 0.496 18.924 19.000 -0.953 0.000 1.102 221 A HN 2.027 nan 8.150 nan 0.000 0.500 222 G N 0.138 108.894 108.800 -0.074 0.000 2.544 222 G HA2 0.612 4.572 3.960 0.000 0.000 0.242 222 G HA3 0.612 4.572 3.960 0.000 0.000 0.242 222 G C 0.061 174.957 174.900 -0.006 0.000 1.247 222 G CA 0.531 45.632 45.100 0.002 0.000 0.840 222 G HN 1.709 nan 8.290 nan 0.000 0.578 223 A N 0.313 123.150 122.820 0.028 0.000 2.588 223 A HA 0.746 5.066 4.320 0.000 0.000 0.290 223 A C 0.083 177.681 177.584 0.022 0.000 1.136 223 A CA -0.607 51.436 52.037 0.010 0.000 0.681 223 A CB 0.584 19.581 19.000 -0.005 0.000 1.282 223 A HN 0.785 nan 8.150 nan 0.000 0.421 224 T N 2.536 117.095 114.554 0.008 0.000 2.761 224 T HA 0.178 4.528 4.350 0.000 0.000 0.262 224 T C 0.300 175.012 174.700 0.020 0.000 0.968 224 T CA 0.996 63.102 62.100 0.010 0.000 1.235 224 T CB -0.438 68.429 68.868 -0.001 0.000 0.925 224 T HN 0.585 nan 8.240 nan 0.000 0.545 225 Q N -0.452 119.368 119.800 0.033 0.000 2.457 225 Q HA -0.274 4.066 4.340 0.000 0.000 0.283 225 Q C -0.034 176.005 176.000 0.066 0.000 1.234 225 Q CA 0.949 56.779 55.803 0.043 0.000 0.877 225 Q CB -1.388 27.366 28.738 0.026 0.000 1.250 225 Q HN 0.981 nan 8.270 nan 0.000 0.481 226 A N -0.594 122.283 122.820 0.095 0.000 2.511 226 A HA 0.830 5.151 4.320 0.000 0.000 0.293 226 A C -1.615 176.095 177.584 0.211 0.000 1.098 226 A CA -0.384 51.722 52.037 0.116 0.000 0.643 226 A CB 1.031 20.024 19.000 -0.012 0.000 1.302 226 A HN 0.493 nan 8.150 nan 0.000 0.446 227 F N -1.578 118.359 119.950 -0.021 0.000 2.645 227 F HA 0.846 5.373 4.527 0.000 0.000 0.310 227 F C -1.540 174.247 175.800 -0.023 0.000 1.102 227 F CA -1.297 56.679 58.000 -0.039 0.000 0.952 227 F CB 0.984 39.962 39.000 -0.036 0.000 1.326 227 F HN 0.496 nan 8.300 nan 0.000 0.456 228 L N 2.159 123.364 121.223 -0.030 0.000 2.334 228 L HA 0.999 5.340 4.340 0.000 0.000 0.273 228 L C -0.236 176.746 176.870 0.186 0.000 1.013 228 L CA -1.115 53.706 54.840 -0.030 0.000 0.816 228 L CB 1.576 43.653 42.059 0.029 0.000 1.278 228 L HN 1.068 nan 8.230 nan 0.000 0.431 229 A N 2.418 125.385 122.820 0.244 0.000 2.593 229 A HA 0.789 5.109 4.320 0.000 0.000 0.290 229 A C -1.593 176.119 177.584 0.214 0.000 1.126 229 A CA -0.753 51.499 52.037 0.357 0.000 0.695 229 A CB 2.072 21.257 19.000 0.308 0.000 1.290 229 A HN 0.871 nan 8.150 nan 0.000 0.414 230 N N 0.263 119.037 118.700 0.123 0.000 2.525 230 N HA 0.252 4.992 4.740 0.000 0.000 0.270 230 N C 0.802 176.293 175.510 -0.031 0.000 1.321 230 N CA -0.826 52.218 53.050 -0.011 0.000 0.797 230 N CB 1.349 39.763 38.487 -0.122 0.000 1.529 230 N HN 0.556 nan 8.380 nan 0.000 0.491 231 M N 0.428 119.976 119.600 -0.087 0.000 2.088 231 M HA -0.091 4.389 4.480 0.000 0.000 0.256 231 M C -1.040 175.133 176.300 -0.212 0.000 1.071 231 M CA 2.476 57.691 55.300 -0.142 0.000 1.097 231 M CB -1.988 30.480 32.600 -0.220 0.000 1.315 231 M HN 0.459 nan 8.290 nan 0.000 0.406 232 P HA -0.110 nan 4.420 nan 0.000 0.215 232 P C 1.076 178.339 177.300 -0.062 0.000 1.153 232 P CA 1.667 64.592 63.100 -0.292 0.000 0.853 232 P CB -0.310 31.277 31.700 -0.187 0.000 0.788 233 N N -1.410 117.278 118.700 -0.020 0.000 2.188 233 N HA -0.094 4.646 4.740 0.000 0.000 0.184 233 N C 1.584 177.137 175.510 0.072 0.000 1.018 233 N CA 0.893 53.975 53.050 0.052 0.000 0.858 233 N CB -0.058 38.519 38.487 0.149 0.000 0.989 233 N HN -0.065 nan 8.380 nan 0.000 0.426 234 S N -0.238 115.510 115.700 0.080 0.000 2.383 234 S HA -0.116 4.354 4.470 0.000 0.000 0.227 234 S C 1.328 175.971 174.600 0.073 0.000 1.026 234 S CA 0.461 58.710 58.200 0.082 0.000 0.981 234 S CB -0.350 62.904 63.200 0.091 0.000 0.818 234 S HN 0.483 nan 8.310 nan 0.000 0.472 235 W N 1.907 123.143 121.300 -0.107 0.000 2.354 235 W HA -0.043 4.618 4.660 0.000 0.000 0.315 235 W C 1.983 178.532 176.519 0.051 0.000 1.206 235 W CA 0.950 58.247 57.345 -0.080 0.000 1.290 235 W CB -0.433 28.942 29.460 -0.142 0.000 1.152 235 W HN 0.237 nan 8.180 nan 0.000 0.489 236 I N 0.989 121.660 120.570 0.169 0.000 2.700 236 I HA -0.265 3.905 4.170 0.000 0.000 0.261 236 I C 1.990 178.178 176.117 0.119 0.000 1.219 236 I CA 1.312 62.697 61.300 0.141 0.000 1.463 236 I CB -0.191 37.719 38.000 -0.151 0.000 1.092 236 I HN -0.212 nan 8.210 nan 0.000 0.452 237 S N 0.542 116.242 115.700 0.000 0.000 2.481 237 S HA -0.046 4.424 4.470 0.000 0.000 0.231 237 S C 1.794 176.319 174.600 -0.124 0.000 0.996 237 S CA 0.687 58.865 58.200 -0.037 0.000 0.942 237 S CB -0.046 63.130 63.200 -0.040 0.000 0.768 237 S HN 0.403 nan 8.310 nan 0.000 0.520 238 M N 0.147 119.568 119.600 -0.299 0.000 2.279 238 M HA -0.020 4.461 4.480 0.000 0.000 0.264 238 M C 0.378 176.372 176.300 -0.510 0.000 1.062 238 M CA 0.703 55.657 55.300 -0.576 0.000 1.099 238 M CB -0.763 31.144 32.600 -1.154 0.000 1.394 238 M HN 0.365 nan 8.290 nan 0.000 0.426 239 W N 0.646 121.862 121.300 -0.140 0.000 2.376 239 W HA 0.173 4.833 4.660 0.000 0.000 0.322 239 W C 1.550 178.023 176.519 -0.077 0.000 1.160 239 W CA -0.585 56.718 57.345 -0.069 0.000 1.218 239 W CB 0.787 30.258 29.460 0.017 0.000 1.205 239 W HN 0.137 nan 8.180 nan 0.000 0.559 240 R N 1.901 122.469 120.500 0.114 0.000 2.062 240 R HA -0.071 4.269 4.340 0.000 0.000 0.229 240 R C -0.290 175.866 176.300 -0.240 0.000 1.128 240 R CA 1.678 57.710 56.100 -0.114 0.000 0.960 240 R CB -0.557 29.655 30.300 -0.147 0.000 0.855 240 R HN 0.385 nan 8.270 nan 0.000 0.432 241 Y N -1.369 118.991 120.300 0.100 0.000 2.570 241 Y HA 0.439 4.989 4.550 0.000 0.000 0.345 241 Y C -0.470 175.419 175.900 -0.018 0.000 1.014 241 Y CA -1.197 56.905 58.100 0.004 0.000 1.063 241 Y CB 1.774 40.200 38.460 -0.056 0.000 1.272 241 Y HN 0.046 nan 8.280 nan 0.000 0.477 242 F N -0.372 119.391 119.950 -0.312 0.000 2.745 242 F HA 0.880 5.407 4.527 0.000 0.000 0.316 242 F C -1.454 173.791 175.800 -0.925 0.000 1.155 242 F CA -1.211 56.457 58.000 -0.553 0.000 0.937 242 F CB 2.145 40.919 39.000 -0.376 0.000 1.361 242 F HN 0.522 nan 8.300 nan 0.000 0.472 243 R N 1.392 121.461 120.500 -0.719 0.000 2.709 243 R HA 0.680 5.020 4.340 0.000 0.000 0.270 243 R C -1.401 174.722 176.300 -0.296 0.000 1.038 243 R CA -0.232 55.370 56.100 -0.831 0.000 0.872 243 R CB 1.662 31.658 30.300 -0.506 0.000 1.259 243 R HN 1.910 nan 8.270 nan 0.000 0.473 244 G N 1.182 109.904 108.800 -0.130 0.000 2.341 244 G HA2 0.085 4.046 3.960 0.000 0.000 0.293 244 G HA3 0.085 4.046 3.960 0.000 0.000 0.293 244 G C -1.869 173.170 174.900 0.230 0.000 1.298 244 G CA -0.717 44.431 45.100 0.081 0.000 0.868 244 G HN 0.624 nan 8.290 nan 0.000 0.540 245 E N 0.132 120.509 120.200 0.294 0.000 2.152 245 E HA 0.498 4.848 4.350 0.000 0.000 0.285 245 E C -0.142 176.726 176.600 0.445 0.000 1.043 245 E CA -0.546 56.101 56.400 0.412 0.000 0.839 245 E CB 0.431 30.368 29.700 0.396 0.000 1.069 245 E HN 0.423 nan 8.360 nan 0.000 0.399 246 L N 4.694 126.200 121.223 0.472 0.000 2.326 246 L HA 0.336 4.676 4.340 0.000 0.000 0.278 246 L C -0.421 176.596 176.870 0.245 0.000 1.092 246 L CA -0.750 54.260 54.840 0.283 0.000 0.810 246 L CB 0.705 42.906 42.059 0.237 0.000 1.153 246 L HN 0.586 nan 8.230 nan 0.000 0.439 247 H N 2.807 121.792 119.070 -0.141 0.000 2.587 247 H HA 0.533 5.089 4.556 0.000 0.000 0.325 247 H C -1.000 174.214 175.328 -0.190 0.000 1.012 247 H CA -0.420 55.614 56.048 -0.024 0.000 1.213 247 H CB 0.988 30.892 29.762 0.236 0.000 1.431 247 H HN 0.263 nan 8.280 nan 0.000 0.492 248 F N 0.636 120.704 119.950 0.197 0.000 2.538 248 F HA 0.342 4.869 4.527 0.000 0.000 0.325 248 F C 0.404 176.243 175.800 0.064 0.000 1.066 248 F CA -0.858 57.218 58.000 0.126 0.000 0.946 248 F CB 1.899 40.951 39.000 0.088 0.000 1.199 248 F HN 0.413 nan 8.300 nan 0.000 0.473 249 E N 1.787 122.152 120.200 0.275 0.000 2.191 249 E HA 0.573 4.923 4.350 0.000 0.000 0.263 249 E C -1.935 174.732 176.600 0.111 0.000 0.881 249 E CA -0.592 55.912 56.400 0.173 0.000 0.757 249 E CB 1.802 31.611 29.700 0.182 0.000 1.147 249 E HN 0.441 nan 8.360 nan 0.000 0.414 250 V N 4.124 124.094 119.914 0.092 0.000 2.370 250 V HA 0.353 4.473 4.120 0.000 0.000 0.283 250 V C -0.170 176.014 176.094 0.150 0.000 1.023 250 V CA -0.491 61.866 62.300 0.095 0.000 0.857 250 V CB 1.742 33.626 31.823 0.101 0.000 0.985 250 V HN 0.752 nan 8.190 nan 0.000 0.443 251 T N 4.967 119.561 114.554 0.066 0.000 2.823 251 T HA 0.310 4.660 4.350 0.000 0.000 0.279 251 T C -0.120 174.475 174.700 -0.175 0.000 0.998 251 T CA -0.586 61.506 62.100 -0.013 0.000 0.994 251 T CB 1.274 70.158 68.868 0.027 0.000 0.960 251 T HN 0.577 nan 8.240 nan 0.000 0.448 252 K N 3.953 124.106 120.400 -0.412 0.000 2.250 252 K HA 0.247 4.567 4.320 0.000 0.000 0.285 252 K C 0.515 176.925 176.600 -0.316 0.000 1.097 252 K CA -0.196 55.750 56.287 -0.569 0.000 0.913 252 K CB 0.208 32.161 32.500 -0.912 0.000 1.179 252 K HN 0.644 nan 8.250 nan 0.000 0.462 253 M N 1.627 121.070 119.600 -0.262 0.000 2.495 253 M HA -0.005 4.475 4.480 0.000 0.000 0.237 253 M C 0.566 176.771 176.300 -0.159 0.000 1.131 253 M CA -0.126 55.061 55.300 -0.188 0.000 1.032 253 M CB 0.467 32.985 32.600 -0.136 0.000 1.513 253 M HN 0.396 nan 8.290 nan 0.000 0.488 254 S N -0.734 114.872 115.700 -0.156 0.000 2.745 254 S HA 0.495 4.965 4.470 0.000 0.000 0.292 254 S C 0.211 174.827 174.600 0.026 0.000 1.133 254 S CA -0.961 57.213 58.200 -0.044 0.000 0.998 254 S CB 1.567 64.767 63.200 0.001 0.000 1.087 254 S HN 0.200 nan 8.310 nan 0.000 0.551 255 S N 1.337 117.089 115.700 0.087 0.000 2.566 255 S HA 0.184 4.654 4.470 0.000 0.000 0.280 255 S C -1.517 173.187 174.600 0.174 0.000 1.343 255 S CA -1.092 57.177 58.200 0.116 0.000 1.036 255 S CB 0.018 63.285 63.200 0.113 0.000 0.866 255 S HN 0.640 nan 8.310 nan 0.000 0.526 256 P HA -0.004 nan 4.420 nan 0.000 0.242 256 P C 0.421 177.901 177.300 0.300 0.000 1.197 256 P CA 0.665 63.900 63.100 0.225 0.000 0.765 256 P CB -0.108 31.710 31.700 0.197 0.000 0.936 257 Y N 0.167 120.520 120.300 0.089 0.000 2.516 257 Y HA 0.025 4.575 4.550 0.000 0.000 0.291 257 Y C 1.402 177.351 175.900 0.082 0.000 1.131 257 Y CA -0.128 58.016 58.100 0.074 0.000 1.281 257 Y CB -0.147 38.348 38.460 0.059 0.000 1.013 257 Y HN -0.136 nan 8.280 nan 0.000 0.554 258 I N 1.941 122.669 120.570 0.264 0.000 2.312 258 I HA 0.172 4.342 4.170 0.000 0.000 0.291 258 I C -0.197 176.010 176.117 0.150 0.000 1.031 258 I CA -0.696 60.734 61.300 0.216 0.000 1.293 258 I CB 0.562 38.745 38.000 0.304 0.000 1.403 258 I HN -0.047 nan 8.210 nan 0.000 0.484 259 K N 5.200 125.581 120.400 -0.033 0.000 2.259 259 K HA 0.936 5.256 4.320 0.000 0.000 0.252 259 K C -0.835 175.524 176.600 -0.403 0.000 0.936 259 K CA -0.830 55.347 56.287 -0.184 0.000 0.810 259 K CB 3.152 35.598 32.500 -0.090 0.000 1.143 259 K HN 0.721 nan 8.250 nan 0.000 0.427 260 A N 1.045 123.502 122.820 -0.604 0.000 2.597 260 A HA 0.519 4.839 4.320 0.000 0.000 0.292 260 A C -1.309 176.032 177.584 -0.405 0.000 1.057 260 A CA -0.751 50.931 52.037 -0.591 0.000 0.674 260 A CB 1.731 20.164 19.000 -0.945 0.000 1.278 260 A HN 0.486 nan 8.150 nan 0.000 0.416 261 T N 1.839 116.244 114.554 -0.249 0.000 2.772 261 T HA 0.569 4.919 4.350 0.000 0.000 0.288 261 T C 0.004 174.618 174.700 -0.144 0.000 0.994 261 T CA -0.258 61.760 62.100 -0.137 0.000 0.951 261 T CB 0.602 69.440 68.868 -0.050 0.000 0.933 261 T HN 1.465 nan 8.240 nan 0.000 0.447 262 V N 1.329 121.169 119.914 -0.124 0.000 2.630 262 V HA 0.935 5.055 4.120 0.000 0.000 0.305 262 V C 0.262 176.240 176.094 -0.194 0.000 1.046 262 V CA -0.887 61.275 62.300 -0.230 0.000 0.934 262 V CB 1.523 33.164 31.823 -0.303 0.000 1.003 262 V HN 0.873 nan 8.190 nan 0.000 0.451 263 T N 1.495 115.895 114.554 -0.256 0.000 2.824 263 T HA 0.735 5.085 4.350 0.000 0.000 0.282 263 T C -1.045 173.532 174.700 -0.205 0.000 0.993 263 T CA -0.349 61.695 62.100 -0.093 0.000 0.967 263 T CB 0.854 69.734 68.868 0.019 0.000 0.960 263 T HN 0.462 nan 8.240 nan 0.000 0.441 264 F N 4.007 124.044 119.950 0.145 0.000 2.450 264 F HA 0.795 5.322 4.527 0.000 0.000 0.332 264 F C 0.053 176.006 175.800 0.256 0.000 1.093 264 F CA -0.878 57.233 58.000 0.186 0.000 1.003 264 F CB 1.782 40.934 39.000 0.252 0.000 1.151 264 F HN 0.803 nan 8.300 nan 0.000 0.474 265 L N 1.030 122.429 121.223 0.293 0.000 2.765 265 L HA 0.703 5.043 4.340 0.000 0.000 0.263 265 L C -1.918 174.852 176.870 -0.166 0.000 1.068 265 L CA -1.025 53.898 54.840 0.138 0.000 0.903 265 L CB 1.642 43.785 42.059 0.140 0.000 1.512 265 L HN 0.268 nan 8.230 nan 0.000 0.404 266 I N 1.298 121.692 120.570 -0.295 0.000 2.406 266 I HA 0.888 5.058 4.170 0.000 0.000 0.290 266 I C 0.085 175.943 176.117 -0.431 0.000 0.999 266 I CA -0.200 60.869 61.300 -0.386 0.000 1.124 266 I CB 0.965 38.654 38.000 -0.517 0.000 1.289 266 I HN 1.055 nan 8.210 nan 0.000 0.441 267 A N 5.961 128.561 122.820 -0.366 0.000 2.557 267 A HA 0.816 5.136 4.320 0.000 0.000 0.292 267 A C -1.516 175.968 177.584 -0.165 0.000 1.139 267 A CA -0.557 51.203 52.037 -0.461 0.000 0.665 267 A CB 1.044 19.478 19.000 -0.943 0.000 1.285 267 A HN 0.385 nan 8.150 nan 0.000 0.433 268 F N -0.097 119.812 119.950 -0.069 0.000 2.378 268 F HA 0.494 5.021 4.527 0.000 0.000 0.325 268 F C 1.840 177.684 175.800 0.074 0.000 1.097 268 F CA 0.459 58.519 58.000 0.099 0.000 1.079 268 F CB 1.388 40.417 39.000 0.050 0.000 1.240 268 F HN 0.717 nan 8.300 nan 0.000 0.519 269 G N 0.553 109.428 108.800 0.126 0.000 2.479 269 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 269 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 269 G C 1.113 175.971 174.900 -0.071 0.000 1.115 269 G CA 0.821 45.745 45.100 -0.294 0.000 0.757 269 G HN 0.697 nan 8.290 nan 0.000 0.560 270 N N 0.210 118.938 118.700 0.046 0.000 2.370 270 N HA 0.072 4.812 4.740 0.000 0.000 0.198 270 N C 0.440 175.931 175.510 -0.032 0.000 1.156 270 N CA -0.150 52.905 53.050 0.009 0.000 0.839 270 N CB -0.061 38.434 38.487 0.014 0.000 0.989 270 N HN 0.222 nan 8.380 nan 0.000 0.468 271 L N 1.325 122.534 121.223 -0.023 0.000 2.395 271 L HA 0.152 4.492 4.340 0.000 0.000 0.269 271 L C 1.053 177.944 176.870 0.034 0.000 1.133 271 L CA -0.615 54.125 54.840 -0.166 0.000 0.812 271 L CB 1.135 42.993 42.059 -0.336 0.000 1.125 271 L HN 0.133 nan 8.230 nan 0.000 0.452 272 S N -0.100 115.617 115.700 0.028 0.000 2.632 272 S HA 0.157 4.627 4.470 0.000 0.000 0.271 272 S C 0.439 175.191 174.600 0.253 0.000 1.260 272 S CA -0.700 57.573 58.200 0.122 0.000 1.010 272 S CB 1.324 64.576 63.200 0.087 0.000 0.965 272 S HN 0.627 nan 8.310 nan 0.000 0.534 273 D N 1.630 122.149 120.400 0.199 0.000 2.263 273 D HA 0.066 4.706 4.640 0.000 0.000 0.208 273 D C 1.718 178.149 176.300 0.218 0.000 0.971 273 D CA 1.524 55.655 54.000 0.218 0.000 0.867 273 D CB -0.289 40.579 40.800 0.114 0.000 0.929 273 D HN 0.681 nan 8.370 nan 0.000 0.492 274 A N -0.045 122.873 122.820 0.163 0.000 2.238 274 A HA 0.086 4.406 4.320 0.000 0.000 0.210 274 A C 0.574 178.209 177.584 0.086 0.000 1.179 274 A CA -0.490 51.605 52.037 0.097 0.000 0.827 274 A CB -0.567 18.465 19.000 0.053 0.000 0.856 274 A HN 0.172 nan 8.150 nan 0.000 0.488 275 F N 1.549 121.471 119.950 -0.046 0.000 2.580 275 F HA 0.285 4.813 4.527 0.000 0.000 0.398 275 F C 1.268 176.881 175.800 -0.312 0.000 1.023 275 F CA 0.041 57.902 58.000 -0.231 0.000 1.188 275 F CB 0.530 39.234 39.000 -0.493 0.000 1.005 275 F HN -0.014 nan 8.300 nan 0.000 0.546 276 G N 5.212 113.423 108.800 -0.983 0.000 3.042 276 G HA2 0.008 3.968 3.960 0.000 0.000 0.212 276 G HA3 0.008 3.968 3.960 0.000 0.000 0.212 276 G C 0.025 173.862 174.900 -1.771 0.000 1.166 276 G CA -0.081 44.257 45.100 -1.270 0.000 0.767 276 G HN 0.520 nan 8.290 nan 0.000 0.546 277 F N -0.362 118.742 119.950 -1.410 0.000 2.761 277 F HA 0.416 4.943 4.527 0.000 0.000 0.367 277 F C 0.805 176.250 175.800 -0.592 0.000 1.386 277 F CA -1.638 55.814 58.000 -0.913 0.000 1.177 277 F CB 0.087 38.652 39.000 -0.725 0.000 1.092 277 F HN -0.034 nan 8.300 nan 0.000 0.517 278 Y N 0.356 120.540 120.300 -0.194 0.000 2.333 278 Y HA -0.113 4.437 4.550 0.000 0.000 0.290 278 Y C 1.691 177.660 175.900 0.114 0.000 1.144 278 Y CA 1.313 59.553 58.100 0.232 0.000 1.228 278 Y CB -0.213 38.317 38.460 0.117 0.000 0.985 278 Y HN 0.249 nan 8.280 nan 0.000 0.542 279 E N -0.479 119.752 120.200 0.052 0.000 2.365 279 E HA -0.023 4.327 4.350 0.000 0.000 0.188 279 E C 1.369 177.995 176.600 0.043 0.000 1.102 279 E CA 0.471 56.758 56.400 -0.189 0.000 0.927 279 E CB -0.083 29.447 29.700 -0.283 0.000 1.073 279 E HN 0.364 nan 8.360 nan 0.000 0.467 280 S N -0.604 115.137 115.700 0.069 0.000 2.524 280 S HA 0.145 4.615 4.470 0.000 0.000 0.215 280 S C 0.297 174.872 174.600 -0.041 0.000 0.986 280 S CA -0.447 57.744 58.200 -0.015 0.000 0.911 280 S CB 0.131 63.256 63.200 -0.125 0.000 0.805 280 S HN -0.015 nan 8.310 nan 0.000 0.501 281 F N 2.366 122.427 119.950 0.186 0.000 2.408 281 F HA 0.609 5.136 4.527 0.000 0.000 0.325 281 F C -2.496 173.487 175.800 0.304 0.000 1.082 281 F CA -2.438 55.678 58.000 0.195 0.000 1.032 281 F CB 0.393 39.496 39.000 0.171 0.000 1.259 281 F HN -0.109 nan 8.300 nan 0.000 0.503 282 P HA 0.173 nan 4.420 nan 0.000 0.276 282 P C -1.141 176.391 177.300 0.386 0.000 1.230 282 P CA 0.324 63.606 63.100 0.304 0.000 0.776 282 P CB 0.439 32.258 31.700 0.198 0.000 0.888 283 H N 0.987 120.176 119.070 0.199 0.000 2.960 283 H HA 0.654 5.210 4.556 0.000 0.000 0.323 283 H C -0.931 174.498 175.328 0.169 0.000 1.326 283 H CA -1.154 55.026 56.048 0.221 0.000 1.124 283 H CB 1.160 31.043 29.762 0.201 0.000 1.853 283 H HN 0.196 nan 8.280 nan 0.000 0.536 284 R N 0.132 120.799 120.500 0.277 0.000 2.807 284 R HA 0.627 4.967 4.340 0.000 0.000 0.276 284 R C -0.632 175.790 176.300 0.205 0.000 0.979 284 R CA -0.682 55.500 56.100 0.136 0.000 0.928 284 R CB 2.272 32.635 30.300 0.105 0.000 1.191 284 R HN 0.503 nan 8.270 nan 0.000 0.471 285 I N 2.113 122.732 120.570 0.081 0.000 2.389 285 I HA 0.351 4.521 4.170 0.000 0.000 0.288 285 I C -0.779 175.328 176.117 -0.017 0.000 0.999 285 I CA -0.979 60.331 61.300 0.017 0.000 1.129 285 I CB 1.882 39.823 38.000 -0.100 0.000 1.288 285 I HN 0.182 nan 8.210 nan 0.000 0.444 286 V N 6.702 126.623 119.914 0.011 0.000 2.435 286 V HA 0.443 4.563 4.120 0.000 0.000 0.290 286 V C -0.286 175.702 176.094 -0.177 0.000 1.030 286 V CA -0.451 61.795 62.300 -0.089 0.000 0.881 286 V CB 1.654 33.514 31.823 0.061 0.000 0.983 286 V HN 0.704 nan 8.190 nan 0.000 0.445 287 Q N 3.558 123.182 119.800 -0.293 0.000 2.315 287 Q HA 0.576 4.916 4.340 0.000 0.000 0.273 287 Q C -1.824 174.026 176.000 -0.250 0.000 1.053 287 Q CA -0.511 55.182 55.803 -0.182 0.000 0.817 287 Q CB 3.081 31.763 28.738 -0.094 0.000 1.326 287 Q HN 0.634 nan 8.270 nan 0.000 0.423 288 F N 0.849 120.856 119.950 0.095 0.000 2.458 288 F HA 0.638 5.165 4.527 0.000 0.000 0.336 288 F C 0.529 176.377 175.800 0.081 0.000 1.114 288 F CA -0.766 57.299 58.000 0.108 0.000 0.987 288 F CB 1.443 40.541 39.000 0.164 0.000 1.130 288 F HN 0.579 nan 8.300 nan 0.000 0.458 289 A N 2.176 125.146 122.820 0.249 0.000 2.313 289 A HA 0.185 4.505 4.320 0.000 0.000 0.261 289 A C 1.615 179.307 177.584 0.180 0.000 1.090 289 A CA -0.285 51.849 52.037 0.161 0.000 0.807 289 A CB 0.296 19.366 19.000 0.116 0.000 1.055 289 A HN 0.922 nan 8.150 nan 0.000 0.492 290 E N -0.083 120.196 120.200 0.131 0.000 2.086 290 E HA -0.211 4.139 4.350 0.000 0.000 0.205 290 E C 1.516 178.195 176.600 0.131 0.000 1.027 290 E CA 2.245 58.722 56.400 0.128 0.000 0.830 290 E CB -0.058 29.704 29.700 0.104 0.000 0.751 290 E HN 0.486 nan 8.360 nan 0.000 0.456 291 V N 1.059 121.046 119.914 0.122 0.000 3.461 291 V HA -0.024 4.096 4.120 0.000 0.000 0.267 291 V C 0.229 176.402 176.094 0.131 0.000 1.186 291 V CA 0.502 62.872 62.300 0.116 0.000 1.154 291 V CB -0.221 31.663 31.823 0.102 0.000 0.802 291 V HN 0.149 nan 8.190 nan 0.000 0.474 292 E N 0.642 120.945 120.200 0.171 0.000 2.301 292 E HA 0.230 4.580 4.350 0.000 0.000 0.275 292 E C 0.423 177.131 176.600 0.179 0.000 1.030 292 E CA 0.356 56.891 56.400 0.225 0.000 0.852 292 E CB 1.029 30.932 29.700 0.338 0.000 1.060 292 E HN 0.679 nan 8.360 nan 0.000 0.401 293 E N 1.412 121.696 120.200 0.139 0.000 2.633 293 E HA 0.173 4.523 4.350 0.000 0.000 0.222 293 E C -0.244 176.359 176.600 0.005 0.000 0.899 293 E CA -0.203 56.157 56.400 -0.067 0.000 1.292 293 E CB 0.661 30.334 29.700 -0.045 0.000 1.257 293 E HN 0.084 nan 8.360 nan 0.000 0.626 294 K N 0.498 121.047 120.400 0.248 0.000 2.435 294 K HA 0.612 4.932 4.320 0.000 0.000 0.251 294 K C -1.664 175.161 176.600 0.374 0.000 0.954 294 K CA -0.833 55.629 56.287 0.291 0.000 0.820 294 K CB 2.547 35.169 32.500 0.202 0.000 1.292 294 K HN 0.095 nan 8.250 nan 0.000 0.436 295 C N 0.910 120.394 119.300 0.305 0.000 2.888 295 C HA 0.624 5.084 4.460 0.000 0.000 0.308 295 C C -1.066 173.972 174.990 0.080 0.000 1.213 295 C CA -0.107 59.009 59.018 0.164 0.000 1.461 295 C CB 1.663 29.476 27.740 0.122 0.000 1.934 295 C HN 0.838 nan 8.230 nan 0.000 0.474 296 T N 6.142 120.707 114.554 0.018 0.000 2.809 296 T HA 0.552 4.902 4.350 0.000 0.000 0.284 296 T C -0.959 173.692 174.700 -0.083 0.000 0.992 296 T CA -0.439 61.664 62.100 0.005 0.000 0.957 296 T CB 1.020 69.903 68.868 0.026 0.000 0.942 296 T HN 0.453 nan 8.240 nan 0.000 0.439 297 L N 3.615 124.790 121.223 -0.080 0.000 2.309 297 L HA 0.639 4.980 4.340 0.000 0.000 0.282 297 L C -0.184 176.538 176.870 -0.247 0.000 1.036 297 L CA -0.848 53.858 54.840 -0.223 0.000 0.806 297 L CB 1.447 43.382 42.059 -0.207 0.000 1.220 297 L HN 0.433 nan 8.230 nan 0.000 0.429 298 V N 4.311 123.940 119.914 -0.475 0.000 2.407 298 V HA 0.420 4.540 4.120 0.000 0.000 0.291 298 V C -0.633 175.198 176.094 -0.438 0.000 1.018 298 V CA -0.488 61.556 62.300 -0.427 0.000 0.842 298 V CB 1.473 33.021 31.823 -0.457 0.000 0.996 298 V HN 0.408 nan 8.190 nan 0.000 0.426 299 F N 3.594 123.648 119.950 0.173 0.000 2.361 299 F HA 0.448 4.975 4.527 0.000 0.000 0.364 299 F C 1.140 177.106 175.800 0.275 0.000 1.120 299 F CA -0.362 57.765 58.000 0.212 0.000 1.102 299 F CB 1.639 40.827 39.000 0.313 0.000 1.183 299 F HN 0.571 nan 8.300 nan 0.000 0.476 300 S N 2.242 118.108 115.700 0.276 0.000 2.608 300 S HA 0.058 4.528 4.470 0.000 0.000 0.261 300 S C 1.004 175.816 174.600 0.354 0.000 1.314 300 S CA -0.757 57.603 58.200 0.267 0.000 0.992 300 S CB 0.831 64.123 63.200 0.153 0.000 0.935 300 S HN 0.686 nan 8.310 nan 0.000 0.564 301 Q N 0.040 120.040 119.800 0.333 0.000 2.439 301 Q HA -0.087 4.253 4.340 0.000 0.000 0.211 301 Q C 1.445 177.619 176.000 0.291 0.000 0.978 301 Q CA 0.995 57.024 55.803 0.377 0.000 0.897 301 Q CB -0.225 28.662 28.738 0.249 0.000 0.956 301 Q HN 0.723 nan 8.270 nan 0.000 0.483 302 Q N 0.021 119.930 119.800 0.181 0.000 2.365 302 Q HA -0.031 4.309 4.340 0.000 0.000 0.203 302 Q C 0.598 176.627 176.000 0.048 0.000 0.929 302 Q CA 0.291 56.163 55.803 0.115 0.000 0.948 302 Q CB 0.422 29.214 28.738 0.090 0.000 1.043 302 Q HN 0.344 nan 8.270 nan 0.000 0.505 303 E N -0.864 119.295 120.200 -0.067 0.000 2.489 303 E HA 0.087 4.437 4.350 0.000 0.000 0.204 303 E C -0.866 175.414 176.600 -0.532 0.000 1.006 303 E CA 0.020 56.216 56.400 -0.340 0.000 0.936 303 E CB 0.638 30.019 29.700 -0.530 0.000 1.002 303 E HN 0.020 nan 8.360 nan 0.000 0.488 304 F N -0.716 119.329 119.950 0.158 0.000 2.518 304 F HA 0.243 4.770 4.527 0.000 0.000 0.323 304 F C 0.678 176.582 175.800 0.173 0.000 1.129 304 F CA -0.818 57.283 58.000 0.167 0.000 0.920 304 F CB 1.525 40.691 39.000 0.278 0.000 1.160 304 F HN -0.283 nan 8.300 nan 0.000 0.440 305 V N 1.833 121.940 119.914 0.322 0.000 2.649 305 V HA 0.032 4.152 4.120 0.000 0.000 0.248 305 V C 0.724 176.937 176.094 0.198 0.000 1.054 305 V CA 2.104 64.536 62.300 0.219 0.000 1.073 305 V CB -0.031 31.889 31.823 0.161 0.000 0.699 305 V HN 0.936 nan 8.190 nan 0.000 0.463 306 T N -2.833 111.865 114.554 0.240 0.000 2.696 306 T HA 0.774 5.125 4.350 0.000 0.000 0.291 306 T C -0.197 174.617 174.700 0.190 0.000 1.095 306 T CA -0.174 62.017 62.100 0.153 0.000 1.026 306 T CB 1.457 70.379 68.868 0.090 0.000 1.390 306 T HN 0.506 nan 8.240 nan 0.000 0.513 307 A N -0.168 122.665 122.820 0.021 0.000 2.296 307 A HA 0.750 5.070 4.320 0.000 0.000 0.264 307 A C -0.485 177.148 177.584 0.081 0.000 1.097 307 A CA -0.834 51.117 52.037 -0.143 0.000 0.811 307 A CB -0.179 18.658 19.000 -0.272 0.000 1.072 307 A HN 1.047 nan 8.150 nan 0.000 0.495 308 W N -1.301 119.913 121.300 -0.144 0.000 3.017 308 W HA 0.704 5.364 4.660 0.000 0.000 0.341 308 W C -0.390 176.216 176.519 0.144 0.000 1.180 308 W CA -0.681 56.660 57.345 -0.007 0.000 1.097 308 W CB 0.375 29.755 29.460 -0.134 0.000 1.468 308 W HN 0.503 nan 8.180 nan 0.000 0.584 309 S N 1.107 117.045 115.700 0.397 0.000 2.549 309 S HA 0.082 4.552 4.470 0.000 0.000 0.279 309 S C 0.943 175.667 174.600 0.206 0.000 1.321 309 S CA 0.101 58.392 58.200 0.152 0.000 1.054 309 S CB 1.281 64.534 63.200 0.088 0.000 0.899 309 S HN 0.540 nan 8.310 nan 0.000 0.497 310 T N 2.760 117.406 114.554 0.154 0.000 2.777 310 T HA -0.096 4.254 4.350 0.000 0.000 0.266 310 T C 0.730 175.543 174.700 0.189 0.000 1.040 310 T CA 1.160 63.436 62.100 0.292 0.000 1.141 310 T CB -0.108 68.859 68.868 0.167 0.000 0.868 310 T HN 0.826 nan 8.240 nan 0.000 0.444 311 Q N -0.139 119.704 119.800 0.071 0.000 2.359 311 Q HA 0.708 5.048 4.340 0.000 0.000 0.274 311 Q C -1.821 174.186 176.000 0.013 0.000 1.074 311 Q CA -0.876 54.949 55.803 0.037 0.000 0.810 311 Q CB 2.254 30.986 28.738 -0.011 0.000 1.342 311 Q HN 0.012 nan 8.270 nan 0.000 0.427 312 V N 1.829 121.754 119.914 0.018 0.000 2.769 312 V HA 0.300 4.420 4.120 0.000 0.000 0.312 312 V C -0.267 175.827 176.094 -0.000 0.000 1.058 312 V CA -0.944 61.368 62.300 0.019 0.000 0.952 312 V CB 1.945 33.791 31.823 0.038 0.000 1.019 312 V HN 0.942 nan 8.190 nan 0.000 0.445 313 N N 4.048 122.750 118.700 0.003 0.000 2.454 313 N HA 0.085 4.825 4.740 0.000 0.000 0.260 313 N C -1.780 173.728 175.510 -0.002 0.000 1.218 313 N CA -0.707 52.338 53.050 -0.008 0.000 0.904 313 N CB 1.211 39.698 38.487 -0.001 0.000 1.065 313 N HN 0.325 nan 8.380 nan 0.000 0.462 314 P HA -0.200 nan 4.420 nan 0.000 0.217 314 P C 0.071 177.374 177.300 0.004 0.000 1.151 314 P CA 1.505 64.598 63.100 -0.012 0.000 0.849 314 P CB 0.159 31.843 31.700 -0.027 0.000 0.787 315 R N -1.152 119.351 120.500 0.006 0.000 2.346 315 R HA 0.118 4.458 4.340 0.000 0.000 0.225 315 R C 0.082 176.396 176.300 0.024 0.000 0.987 315 R CA 0.226 56.334 56.100 0.013 0.000 1.106 315 R CB -0.666 29.640 30.300 0.009 0.000 1.090 315 R HN 0.138 nan 8.270 nan 0.000 0.502 316 T N 1.555 116.128 114.554 0.032 0.000 2.737 316 T HA 0.024 4.374 4.350 0.000 0.000 0.296 316 T C 0.515 175.251 174.700 0.060 0.000 0.922 316 T CA -0.009 62.120 62.100 0.048 0.000 1.079 316 T CB 1.272 70.174 68.868 0.058 0.000 0.892 316 T HN 0.179 nan 8.240 nan 0.000 0.514 317 T N 3.005 117.591 114.554 0.053 0.000 2.900 317 T HA 0.079 4.429 4.350 0.000 0.000 0.307 317 T C 1.546 176.289 174.700 0.071 0.000 1.065 317 T CA -0.764 61.367 62.100 0.051 0.000 1.105 317 T CB 0.281 69.171 68.868 0.037 0.000 0.979 317 T HN 0.292 nan 8.240 nan 0.000 0.544 318 L N 2.635 123.891 121.223 0.055 0.000 2.042 318 L HA -0.006 4.334 4.340 0.000 0.000 0.210 318 L C 2.586 179.488 176.870 0.053 0.000 1.076 318 L CA 1.964 56.830 54.840 0.043 0.000 0.749 318 L CB -0.990 41.050 42.059 -0.031 0.000 0.893 318 L HN 0.800 nan 8.230 nan 0.000 0.432 319 E N -1.018 119.205 120.200 0.039 0.000 2.268 319 E HA -0.063 4.287 4.350 0.000 0.000 0.195 319 E C 1.855 178.492 176.600 0.061 0.000 0.995 319 E CA 1.013 57.438 56.400 0.041 0.000 0.836 319 E CB -0.293 29.422 29.700 0.025 0.000 0.763 319 E HN 0.494 nan 8.360 nan 0.000 0.491 320 A N 0.407 123.271 122.820 0.073 0.000 2.390 320 A HA 0.040 4.360 4.320 0.000 0.000 0.232 320 A C 0.461 178.115 177.584 0.116 0.000 1.233 320 A CA -0.308 51.778 52.037 0.081 0.000 0.907 320 A CB 0.269 19.306 19.000 0.062 0.000 0.967 320 A HN 0.013 nan 8.150 nan 0.000 0.512 321 D N 0.713 121.209 120.400 0.159 0.000 2.338 321 D HA 0.323 4.963 4.640 0.000 0.000 0.255 321 D C 1.129 177.587 176.300 0.264 0.000 1.237 321 D CA 0.514 54.638 54.000 0.208 0.000 0.883 321 D CB 1.061 42.040 40.800 0.298 0.000 1.087 321 D HN 0.098 nan 8.370 nan 0.000 0.485 322 G N 2.800 111.737 108.800 0.229 0.000 3.088 322 G HA2 0.065 4.025 3.960 0.000 0.000 0.212 322 G HA3 0.065 4.025 3.960 0.000 0.000 0.212 322 G C 0.428 175.550 174.900 0.369 0.000 1.173 322 G CA -0.109 45.165 45.100 0.291 0.000 0.779 322 G HN 0.508 nan 8.290 nan 0.000 0.540 323 C N 1.005 120.435 119.300 0.218 0.000 2.365 323 C HA 0.571 5.031 4.460 0.000 0.000 0.349 323 C C -1.723 173.053 174.990 -0.357 0.000 1.191 323 C CA -1.648 57.370 59.018 0.000 0.000 2.114 323 C CB 2.358 30.075 27.740 -0.038 0.000 2.367 323 C HN 0.254 nan 8.230 nan 0.000 0.530 324 P HA 0.211 nan 4.420 nan 0.000 0.272 324 P C -1.579 175.335 177.300 -0.644 0.000 1.240 324 P CA 0.222 62.728 63.100 -0.989 0.000 0.791 324 P CB 0.496 31.640 31.700 -0.926 0.000 0.978 325 Y N -1.035 118.989 120.300 -0.460 0.000 2.545 325 Y HA 0.402 4.952 4.550 0.000 0.000 0.348 325 Y C 0.345 176.133 175.900 -0.186 0.000 1.002 325 Y CA -1.120 56.825 58.100 -0.259 0.000 1.039 325 Y CB 2.141 40.471 38.460 -0.218 0.000 1.271 325 Y HN 0.155 nan 8.280 nan 0.000 0.467 326 L N 3.429 124.634 121.223 -0.031 0.000 2.292 326 L HA 0.405 4.745 4.340 0.000 0.000 0.284 326 L C -1.531 175.337 176.870 -0.003 0.000 1.065 326 L CA -0.472 54.302 54.840 -0.111 0.000 0.806 326 L CB 0.572 42.479 42.059 -0.255 0.000 1.175 326 L HN 0.715 nan 8.230 nan 0.000 0.431 327 Y N 2.962 123.195 120.300 -0.112 0.000 2.377 327 Y HA 0.562 5.112 4.550 0.000 0.000 0.339 327 Y C 0.230 176.046 175.900 -0.140 0.000 1.011 327 Y CA -0.632 57.392 58.100 -0.127 0.000 1.093 327 Y CB 2.097 40.438 38.460 -0.198 0.000 1.201 327 Y HN 0.631 nan 8.280 nan 0.000 0.455 328 A N 5.631 128.412 122.820 -0.066 0.000 2.319 328 A HA 0.796 5.116 4.320 0.000 0.000 0.310 328 A C -1.131 176.343 177.584 -0.182 0.000 1.152 328 A CA -0.490 51.368 52.037 -0.298 0.000 0.783 328 A CB 0.249 19.186 19.000 -0.105 0.000 1.184 328 A HN 0.743 nan 8.150 nan 0.000 0.474 329 I N 2.750 123.132 120.570 -0.314 0.000 2.689 329 I HA 0.362 4.532 4.170 0.000 0.000 0.299 329 I C -0.546 175.397 176.117 -0.289 0.000 1.059 329 I CA -0.777 60.378 61.300 -0.241 0.000 1.055 329 I CB 2.037 39.861 38.000 -0.293 0.000 1.243 329 I HN 0.419 nan 8.210 nan 0.000 0.425 330 I N 5.030 125.442 120.570 -0.264 0.000 2.337 330 I HA 0.037 4.207 4.170 0.000 0.000 0.291 330 I C 1.445 177.470 176.117 -0.152 0.000 1.046 330 I CA 0.310 61.433 61.300 -0.295 0.000 1.324 330 I CB 0.509 38.328 38.000 -0.302 0.000 1.409 330 I HN 0.765 nan 8.210 nan 0.000 0.494 331 H N 5.726 124.672 119.070 -0.206 0.000 2.357 331 H HA -0.150 4.406 4.556 0.000 0.000 0.301 331 H C 0.639 175.895 175.328 -0.120 0.000 1.082 331 H CA 2.591 58.553 56.048 -0.142 0.000 1.342 331 H CB 0.804 30.496 29.762 -0.116 0.000 1.389 331 H HN 0.737 nan 8.280 nan 0.000 0.511 332 D N -0.895 119.434 120.400 -0.118 0.000 3.074 332 D HA 0.095 4.735 4.640 0.000 0.000 0.227 332 D C 0.033 176.260 176.300 -0.122 0.000 1.553 332 D CA 0.358 54.274 54.000 -0.140 0.000 1.347 332 D CB 0.246 41.003 40.800 -0.072 0.000 1.021 332 D HN 0.259 nan 8.370 nan 0.000 0.260 333 S N -1.814 113.815 115.700 -0.117 0.000 2.597 333 S HA 0.507 4.977 4.470 0.000 0.000 0.274 333 S C -1.188 173.336 174.600 -0.127 0.000 1.132 333 S CA -0.964 57.175 58.200 -0.102 0.000 0.835 333 S CB 1.085 64.244 63.200 -0.068 0.000 1.092 333 S HN 0.130 nan 8.310 nan 0.000 0.457 334 T N 2.740 117.235 114.554 -0.098 0.000 2.845 334 T HA 0.785 5.135 4.350 0.000 0.000 0.288 334 T C 0.224 174.896 174.700 -0.047 0.000 0.980 334 T CA -0.076 61.961 62.100 -0.105 0.000 1.071 334 T CB 1.062 69.931 68.868 0.001 0.000 0.941 334 T HN 1.091 nan 8.240 nan 0.000 0.487 335 T N -0.741 113.781 114.554 -0.052 0.000 2.812 335 T HA 0.894 5.244 4.350 0.000 0.000 0.294 335 T C -0.421 174.288 174.700 0.015 0.000 1.159 335 T CA -0.829 61.262 62.100 -0.015 0.000 1.008 335 T CB 2.072 70.919 68.868 -0.035 0.000 1.289 335 T HN 1.019 nan 8.240 nan 0.000 0.514 336 G N -0.244 108.574 108.800 0.029 0.000 2.402 336 G HA2 0.419 4.379 3.960 0.000 0.000 0.301 336 G HA3 0.419 4.379 3.960 0.000 0.000 0.301 336 G C 0.050 174.995 174.900 0.076 0.000 1.615 336 G CA -0.006 45.133 45.100 0.066 0.000 0.889 336 G HN 1.293 nan 8.290 nan 0.000 0.647 337 T N -1.261 113.355 114.554 0.104 0.000 3.188 337 T HA 0.518 4.869 4.350 0.000 0.000 0.250 337 T C 0.460 175.248 174.700 0.147 0.000 1.077 337 T CA 0.311 62.474 62.100 0.106 0.000 0.967 337 T CB -0.014 68.908 68.868 0.090 0.000 1.006 337 T HN 0.435 nan 8.240 nan 0.000 0.552 338 I N 1.001 121.671 120.570 0.167 0.000 2.934 338 I HA 0.483 4.653 4.170 0.000 0.000 0.306 338 I C -0.570 175.607 176.117 0.099 0.000 1.110 338 I CA -0.863 60.513 61.300 0.126 0.000 1.019 338 I CB 2.534 40.616 38.000 0.136 0.000 1.227 338 I HN 0.043 nan 8.210 nan 0.000 0.434 339 S N 2.717 118.459 115.700 0.069 0.000 2.565 339 S HA 0.887 5.357 4.470 0.000 0.000 0.274 339 S C -0.075 174.571 174.600 0.077 0.000 1.309 339 S CA -0.196 58.044 58.200 0.066 0.000 1.043 339 S CB 1.129 64.358 63.200 0.048 0.000 0.939 339 S HN 1.071 nan 8.310 nan 0.000 0.504 340 G N 1.576 110.429 108.800 0.088 0.000 2.376 340 G HA2 0.324 4.284 3.960 0.000 0.000 0.302 340 G HA3 0.324 4.284 3.960 0.000 0.000 0.302 340 G C -2.145 172.831 174.900 0.126 0.000 1.586 340 G CA -0.924 44.236 45.100 0.099 0.000 0.907 340 G HN 0.532 nan 8.290 nan 0.000 0.655 341 D N -0.387 120.087 120.400 0.123 0.000 2.340 341 D HA 0.470 5.110 4.640 0.000 0.000 0.251 341 D C -0.682 175.759 176.300 0.235 0.000 1.080 341 D CA -0.096 54.002 54.000 0.165 0.000 0.971 341 D CB 2.007 42.872 40.800 0.109 0.000 1.137 341 D HN 0.165 nan 8.370 nan 0.000 0.475 342 F N 1.520 121.562 119.950 0.152 0.000 2.375 342 F HA 0.251 4.778 4.527 0.000 0.000 0.362 342 F C -0.290 175.638 175.800 0.214 0.000 1.129 342 F CA -0.670 57.437 58.000 0.180 0.000 1.154 342 F CB -0.157 38.971 39.000 0.213 0.000 1.205 342 F HN 0.079 nan 8.300 nan 0.000 0.513 343 N N 5.971 124.483 118.700 -0.314 0.000 2.392 343 N HA 0.519 5.259 4.740 0.000 0.000 0.283 343 N C -1.659 173.622 175.510 -0.382 0.000 1.003 343 N CA -0.724 52.171 53.050 -0.259 0.000 0.892 343 N CB 1.507 39.914 38.487 -0.134 0.000 1.193 343 N HN 0.304 nan 8.380 nan 0.000 0.487 344 L N 1.343 122.431 121.223 -0.226 0.000 2.346 344 L HA 0.632 4.972 4.340 0.000 0.000 0.274 344 L C 0.479 177.320 176.870 -0.048 0.000 1.007 344 L CA -0.598 54.164 54.840 -0.130 0.000 0.818 344 L CB 1.699 43.798 42.059 0.067 0.000 1.284 344 L HN 0.555 nan 8.230 nan 0.000 0.424 345 G N 1.816 110.593 108.800 -0.037 0.000 2.388 345 G HA2 0.624 4.584 3.960 0.000 0.000 0.330 345 G HA3 0.624 4.584 3.960 0.000 0.000 0.330 345 G C -1.490 173.220 174.900 -0.316 0.000 1.142 345 G CA -0.341 44.695 45.100 -0.106 0.000 0.908 345 G HN 0.344 nan 8.290 nan 0.000 0.473 346 V N 1.523 121.012 119.914 -0.709 0.000 2.577 346 V HA 0.601 4.721 4.120 0.000 0.000 0.303 346 V C -0.230 175.537 176.094 -0.545 0.000 1.042 346 V CA -0.893 61.146 62.300 -0.434 0.000 0.872 346 V CB 1.800 33.465 31.823 -0.262 0.000 0.998 346 V HN 0.862 nan 8.190 nan 0.000 0.423 347 K N 4.089 124.418 120.400 -0.119 0.000 2.471 347 K HA 0.618 4.938 4.320 0.000 0.000 0.252 347 K C -1.418 175.348 176.600 0.276 0.000 0.938 347 K CA -0.848 55.482 56.287 0.072 0.000 0.796 347 K CB 1.960 34.569 32.500 0.183 0.000 1.161 347 K HN 0.545 nan 8.250 nan 0.000 0.425 348 L N 6.603 127.986 121.223 0.268 0.000 2.363 348 L HA 0.150 4.490 4.340 0.000 0.000 0.286 348 L C 0.346 177.236 176.870 0.032 0.000 1.106 348 L CA 0.299 55.187 54.840 0.079 0.000 0.859 348 L CB 0.736 42.823 42.059 0.047 0.000 1.223 348 L HN 0.723 nan 8.230 nan 0.000 0.446 349 V N 4.684 124.634 119.914 0.060 0.000 2.295 349 V HA 0.187 4.307 4.120 0.000 0.000 0.246 349 V C 1.339 177.415 176.094 -0.030 0.000 1.049 349 V CA 1.447 63.816 62.300 0.115 0.000 1.024 349 V CB -1.211 30.767 31.823 0.258 0.000 0.648 349 V HN 0.957 nan 8.190 nan 0.000 0.447 350 G N -1.525 107.153 108.800 -0.204 0.000 2.441 350 G HA2 0.567 4.527 3.960 0.000 0.000 0.294 350 G HA3 0.567 4.527 3.960 0.000 0.000 0.294 350 G C -1.866 172.598 174.900 -0.725 0.000 1.393 350 G CA -0.741 43.899 45.100 -0.766 0.000 0.796 350 G HN 0.040 nan 8.290 nan 0.000 0.494 351 I N 0.515 120.554 120.570 -0.886 0.000 2.498 351 I HA 0.430 4.600 4.170 0.000 0.000 0.290 351 I C -0.131 175.844 176.117 -0.236 0.000 1.032 351 I CA -0.780 60.318 61.300 -0.337 0.000 1.073 351 I CB 2.362 40.291 38.000 -0.118 0.000 1.251 351 I HN 0.436 nan 8.210 nan 0.000 0.426 352 K N 5.396 125.890 120.400 0.157 0.000 2.156 352 K HA 0.247 4.567 4.320 0.000 0.000 0.271 352 K C -0.695 176.042 176.600 0.228 0.000 0.995 352 K CA -0.205 56.283 56.287 0.336 0.000 0.890 352 K CB 0.758 33.471 32.500 0.355 0.000 1.073 352 K HN 0.571 nan 8.250 nan 0.000 0.454 353 D N 2.586 123.104 120.400 0.197 0.000 2.718 353 D HA -0.244 4.396 4.640 0.000 0.000 0.242 353 D C -0.636 175.720 176.300 0.093 0.000 1.123 353 D CA 0.819 54.896 54.000 0.129 0.000 0.690 353 D CB -1.368 39.502 40.800 0.117 0.000 1.059 353 D HN 0.436 nan 8.370 nan 0.000 0.429 354 F N 0.415 120.328 119.950 -0.062 0.000 2.506 354 F HA 0.325 4.852 4.527 0.000 0.000 0.351 354 F C 0.102 175.792 175.800 -0.183 0.000 1.136 354 F CA -0.501 57.409 58.000 -0.150 0.000 1.298 354 F CB 0.787 39.636 39.000 -0.253 0.000 1.145 354 F HN 0.199 nan 8.300 nan 0.000 0.593 355 C N 5.323 123.860 119.300 -1.271 0.000 2.522 355 C HA 0.648 5.108 4.460 0.000 0.000 0.344 355 C C 0.241 174.369 174.990 -1.437 0.000 1.104 355 C CA -0.565 57.773 59.018 -1.133 0.000 1.317 355 C CB 0.123 27.552 27.740 -0.518 0.000 1.896 355 C HN 1.116 nan 8.230 nan 0.000 0.443 356 G N 4.195 112.048 108.800 -1.577 0.000 2.332 356 G HA2 0.716 4.676 3.960 0.000 0.000 0.310 356 G HA3 0.716 4.676 3.960 0.000 0.000 0.310 356 G C -0.885 173.828 174.900 -0.313 0.000 1.123 356 G CA -0.254 44.111 45.100 -1.225 0.000 0.873 356 G HN 0.717 nan 8.290 nan 0.000 0.460 357 I N 2.046 122.653 120.570 0.061 0.000 2.439 357 I HA 0.567 4.737 4.170 0.000 0.000 0.285 357 I C 0.677 176.973 176.117 0.297 0.000 1.021 357 I CA -0.240 61.160 61.300 0.166 0.000 1.091 357 I CB 1.521 39.576 38.000 0.092 0.000 1.242 357 I HN 0.976 nan 8.210 nan 0.000 0.439 358 G N 4.061 113.006 108.800 0.243 0.000 2.819 358 G HA2 -0.175 3.785 3.960 0.000 0.000 0.682 358 G HA3 -0.175 3.785 3.960 0.000 0.000 0.682 358 G C -0.483 174.464 174.900 0.078 0.000 1.481 358 G CA -0.817 44.379 45.100 0.159 0.000 0.904 358 G HN 0.567 nan 8.290 nan 0.000 0.563 359 S N 0.446 116.136 115.700 -0.017 0.000 2.537 359 S HA 0.468 4.938 4.470 0.000 0.000 0.275 359 S C 0.459 174.998 174.600 -0.102 0.000 1.272 359 S CA -0.449 57.681 58.200 -0.117 0.000 1.050 359 S CB 1.343 64.471 63.200 -0.120 0.000 0.961 359 S HN 0.862 nan 8.310 nan 0.000 0.496 360 N N 2.811 121.425 118.700 -0.145 0.000 2.414 360 N HA 0.361 5.101 4.740 0.000 0.000 0.256 360 N C -1.917 173.520 175.510 -0.121 0.000 1.029 360 N CA -1.971 51.003 53.050 -0.127 0.000 0.948 360 N CB 1.150 39.562 38.487 -0.125 0.000 1.102 360 N HN 0.177 nan 8.380 nan 0.000 0.496 361 P HA 0.202 nan 4.420 nan 0.000 0.222 361 P C -0.327 176.924 177.300 -0.081 0.000 1.153 361 P CA 0.480 63.532 63.100 -0.080 0.000 0.798 361 P CB -0.044 31.619 31.700 -0.061 0.000 0.796 362 G N -0.544 108.203 108.800 -0.089 0.000 2.650 362 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 362 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 362 G C -1.160 173.688 174.900 -0.087 0.000 1.205 362 G CA -0.903 44.142 45.100 -0.091 0.000 0.781 362 G HN 0.105 nan 8.290 nan 0.000 0.648 363 I N 0.872 121.378 120.570 -0.105 0.000 2.533 363 I HA 0.301 4.471 4.170 0.000 0.000 0.290 363 I C -0.747 175.273 176.117 -0.162 0.000 1.056 363 I CA -0.854 60.381 61.300 -0.107 0.000 1.057 363 I CB 2.173 40.115 38.000 -0.097 0.000 1.240 363 I HN 0.596 nan 8.210 nan 0.000 0.423 364 D N 4.454 124.763 120.400 -0.152 0.000 2.308 364 D HA 0.543 5.183 4.640 0.000 0.000 0.251 364 D C 0.291 176.421 176.300 -0.285 0.000 1.127 364 D CA 1.123 54.991 54.000 -0.221 0.000 0.876 364 D CB 1.073 41.805 40.800 -0.112 0.000 1.176 364 D HN 0.851 nan 8.370 nan 0.000 0.446 365 G N 2.272 110.734 108.800 -0.564 0.000 2.746 365 G HA2 0.157 4.117 3.960 0.000 0.000 0.685 365 G HA3 0.157 4.117 3.960 0.000 0.000 0.685 365 G C -0.961 173.758 174.900 -0.302 0.000 1.350 365 G CA -0.295 44.543 45.100 -0.436 0.000 0.837 365 G HN 0.777 nan 8.290 nan 0.000 0.564 366 S N -0.134 115.469 115.700 -0.161 0.000 2.541 366 S HA 0.738 5.208 4.470 0.000 0.000 0.271 366 S C 0.135 174.714 174.600 -0.035 0.000 1.133 366 S CA -1.036 57.110 58.200 -0.089 0.000 0.876 366 S CB 1.960 65.118 63.200 -0.070 0.000 1.105 366 S HN 0.915 nan 8.310 nan 0.000 0.470 367 R N 0.416 120.904 120.500 -0.021 0.000 2.905 367 R HA 0.239 4.579 4.340 0.000 0.000 0.273 367 R C -0.204 176.093 176.300 -0.005 0.000 1.033 367 R CA -0.566 55.532 56.100 -0.003 0.000 1.182 367 R CB 0.040 30.348 30.300 0.012 0.000 1.097 367 R HN 0.396 nan 8.270 nan 0.000 0.504 368 L N 2.000 123.224 121.223 0.001 0.000 2.416 368 L HA 0.117 4.457 4.340 0.000 0.000 0.272 368 L C -0.191 176.677 176.870 -0.003 0.000 1.161 368 L CA 0.052 54.890 54.840 -0.004 0.000 0.845 368 L CB 0.436 42.495 42.059 -0.001 0.000 1.119 368 L HN 0.392 nan 8.230 nan 0.000 0.464 369 L N 0.000 121.217 121.223 -0.010 0.000 2.949 369 L HA 0.000 4.340 4.340 0.000 0.000 0.249 369 L CA 0.000 54.849 54.840 0.015 0.000 0.813 369 L CB 0.000 42.077 42.059 0.030 0.000 0.961 369 L HN 0.000 nan 8.230 nan 0.000 0.502