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 3hvf_1_B DATA FIRST_RESID 26 DATA SEQUENCE TSAVQQKLAA LEKSSGGRLG VALIDTADNT QVXLYRGDER FPMCGTSKVM DATA SEQUENCE AAAAVLKQSE TQKQLLNQPV EIKPADLVNY NPIAEKHVNG TMTLAELSAA DATA SEQUENCE ALQYSDNTAM NKLIAQLGGP GGVTAFARAI GDETFRLDRT EPTLNTAIPG DATA SEQUENCE DPRDTTTPRA MAQTLRQLTL GHALGETQRA QLVTWLKGNT TGAASIRAGL DATA SEQUENCE PTSWTAGDKT GSGXDYGTTN DIAVIWPXQG RAPLVLVTYF TQPQQNAESR DATA SEQUENCE RDVLASAARI IAEGL 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 26 T HA 0.000 nan 4.350 nan 0.000 0.228 26 T C 0.000 174.700 174.700 0.000 0.000 1.109 26 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 26 T CB 0.000 68.869 68.868 0.002 0.000 0.612 27 S N 0.968 116.668 115.700 -0.001 0.000 2.568 27 S HA 0.903 5.373 4.470 -0.000 0.000 0.293 27 S C 0.268 174.870 174.600 0.003 0.000 1.089 27 S CA -0.701 57.499 58.200 0.000 0.000 0.945 27 S CB 1.744 64.941 63.200 -0.004 0.000 1.077 27 S HN 1.336 nan 8.310 nan 0.000 0.485 28 A N 0.960 123.785 122.820 0.008 0.000 2.371 28 A HA 0.451 4.771 4.320 -0.000 0.000 0.257 28 A C 1.345 178.935 177.584 0.010 0.000 1.089 28 A CA -0.447 51.598 52.037 0.013 0.000 0.794 28 A CB 0.141 19.153 19.000 0.021 0.000 1.029 28 A HN 0.888 nan 8.150 nan 0.000 0.488 29 V N 1.284 121.205 119.914 0.012 0.000 2.392 29 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 29 V C 2.248 178.346 176.094 0.007 0.000 1.059 29 V CA 2.635 64.936 62.300 0.003 0.000 1.051 29 V CB -0.625 31.203 31.823 0.010 0.000 0.658 29 V HN 0.903 nan 8.190 nan 0.000 0.455 30 Q N -0.414 119.413 119.800 0.045 0.000 2.084 30 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 30 Q C 2.255 178.292 176.000 0.062 0.000 0.978 30 Q CA 2.273 58.134 55.803 0.096 0.000 0.844 30 Q CB -0.403 28.407 28.738 0.119 0.000 0.898 30 Q HN 0.763 nan 8.270 nan 0.000 0.426 31 Q N 0.290 120.111 119.800 0.036 0.000 2.061 31 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 31 Q C 2.083 178.074 176.000 -0.015 0.000 0.984 31 Q CA 1.264 57.080 55.803 0.022 0.000 0.846 31 Q CB -0.037 28.710 28.738 0.015 0.000 0.902 31 Q HN 0.309 nan 8.270 nan 0.000 0.421 32 K N 0.369 120.748 120.400 -0.036 0.000 2.057 32 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 32 K C 2.121 178.645 176.600 -0.127 0.000 1.050 32 K CA 0.935 57.183 56.287 -0.066 0.000 0.935 32 K CB -0.098 32.367 32.500 -0.059 0.000 0.715 32 K HN 0.178 nan 8.250 nan 0.000 0.439 33 L N 0.604 121.710 121.223 -0.196 0.000 2.056 33 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 33 L C 2.628 179.189 176.870 -0.514 0.000 1.078 33 L CA 0.970 55.564 54.840 -0.411 0.000 0.749 33 L CB -0.571 41.131 42.059 -0.594 0.000 0.901 33 L HN 0.185 nan 8.230 nan 0.000 0.433 34 A N 0.123 122.757 122.820 -0.309 0.000 1.902 34 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 34 A C 2.531 180.102 177.584 -0.021 0.000 1.181 34 A CA 1.724 53.735 52.037 -0.043 0.000 0.623 34 A CB -0.664 18.433 19.000 0.162 0.000 0.818 34 A HN 0.393 nan 8.150 nan 0.000 0.443 35 A N -0.456 122.339 122.820 -0.041 0.000 1.898 35 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 35 A C 2.132 179.692 177.584 -0.040 0.000 1.181 35 A CA 1.694 53.717 52.037 -0.024 0.000 0.620 35 A CB -0.615 18.369 19.000 -0.026 0.000 0.819 35 A HN 0.749 nan 8.150 nan 0.000 0.442 36 L N 0.250 121.421 121.223 -0.087 0.000 2.017 36 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 36 L C 2.271 179.104 176.870 -0.062 0.000 1.073 36 L CA 2.812 57.594 54.840 -0.096 0.000 0.745 36 L CB -0.744 41.226 42.059 -0.148 0.000 0.894 36 L HN 0.610 nan 8.230 nan 0.000 0.432 37 E N -0.392 119.779 120.200 -0.050 0.000 2.058 37 E HA -0.324 4.026 4.350 -0.000 0.000 0.194 37 E C 2.298 178.969 176.600 0.119 0.000 0.997 37 E CA 1.658 58.108 56.400 0.083 0.000 0.801 37 E CB -0.186 29.608 29.700 0.155 0.000 0.746 37 E HN 0.541 nan 8.360 nan 0.000 0.450 38 K N 0.094 120.544 120.400 0.082 0.000 2.063 38 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 38 K C 2.339 178.978 176.600 0.065 0.000 1.048 38 K CA 1.439 57.773 56.287 0.079 0.000 0.928 38 K CB -0.232 32.304 32.500 0.060 0.000 0.713 38 K HN 0.019 nan 8.250 nan 0.000 0.442 39 S N 0.174 115.897 115.700 0.038 0.000 2.383 39 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 39 S C 1.905 176.532 174.600 0.045 0.000 1.026 39 S CA 1.805 60.021 58.200 0.026 0.000 0.981 39 S CB -0.308 62.891 63.200 -0.003 0.000 0.818 39 S HN 0.543 nan 8.310 nan 0.000 0.472 40 S N -0.072 115.666 115.700 0.063 0.000 2.428 40 S HA 0.195 4.665 4.470 -0.000 0.000 0.230 40 S C 1.804 176.541 174.600 0.229 0.000 1.014 40 S CA 1.352 59.626 58.200 0.123 0.000 0.957 40 S CB -0.882 62.373 63.200 0.090 0.000 0.784 40 S HN 1.357 nan 8.310 nan 0.000 0.499 41 G N 0.186 109.099 108.800 0.188 0.000 2.179 41 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.260 41 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.260 41 G C 0.459 175.454 174.900 0.159 0.000 0.977 41 G CA 0.284 45.476 45.100 0.153 0.000 0.641 41 G HN 1.153 nan 8.290 nan 0.000 0.533 42 G N -1.024 107.934 108.800 0.264 0.000 2.990 42 G HA2 0.684 4.644 3.960 -0.000 0.000 0.208 42 G HA3 0.684 4.644 3.960 -0.000 0.000 0.208 42 G C -0.335 174.644 174.900 0.133 0.000 1.334 42 G CA -0.248 44.883 45.100 0.051 0.000 1.024 42 G HN 0.578 nan 8.290 nan 0.000 0.574 43 R N -0.503 119.990 120.500 -0.012 0.000 2.409 43 R HA 0.550 4.890 4.340 -0.000 0.000 0.313 43 R C -1.624 174.962 176.300 0.478 0.000 0.953 43 R CA -0.602 55.622 56.100 0.206 0.000 0.849 43 R CB 1.219 31.558 30.300 0.065 0.000 1.171 43 R HN 0.346 nan 8.270 nan 0.000 0.458 44 L N 3.322 124.907 121.223 0.603 0.000 2.317 44 L HA 0.752 5.092 4.340 -0.000 0.000 0.281 44 L C -0.688 176.490 176.870 0.515 0.000 1.024 44 L CA -0.076 55.108 54.840 0.573 0.000 0.810 44 L CB 2.079 44.371 42.059 0.388 0.000 1.240 44 L HN 0.718 nan 8.230 nan 0.000 0.427 45 G N 4.214 113.040 108.800 0.043 0.000 2.609 45 G HA2 0.637 4.597 3.960 -0.000 0.000 0.308 45 G HA3 0.637 4.597 3.960 -0.000 0.000 0.308 45 G C -1.882 172.937 174.900 -0.134 0.000 1.369 45 G CA -0.412 44.594 45.100 -0.156 0.000 0.958 45 G HN 0.548 nan 8.290 nan 0.000 0.499 46 V N 0.683 120.611 119.914 0.023 0.000 2.709 46 V HA 0.877 4.997 4.120 -0.000 0.000 0.308 46 V C -0.116 175.964 176.094 -0.023 0.000 1.062 46 V CA -0.753 61.529 62.300 -0.031 0.000 0.901 46 V CB 1.807 33.643 31.823 0.023 0.000 1.003 46 V HN 1.286 nan 8.190 nan 0.000 0.425 47 A N 4.318 127.089 122.820 -0.081 0.000 2.429 47 A HA 0.844 5.164 4.320 -0.000 0.000 0.289 47 A C -1.549 175.996 177.584 -0.065 0.000 1.043 47 A CA -0.390 51.614 52.037 -0.055 0.000 0.722 47 A CB 1.453 20.415 19.000 -0.064 0.000 1.243 47 A HN 0.965 nan 8.150 nan 0.000 0.415 48 L N 3.123 124.323 121.223 -0.039 0.000 2.334 48 L HA 0.859 5.199 4.340 -0.000 0.000 0.276 48 L C -1.166 175.678 176.870 -0.043 0.000 1.014 48 L CA -0.429 54.384 54.840 -0.044 0.000 0.815 48 L CB 1.297 43.340 42.059 -0.026 0.000 1.268 48 L HN 0.584 nan 8.230 nan 0.000 0.428 49 I N 3.913 124.448 120.570 -0.059 0.000 2.447 49 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 49 I C -1.175 174.896 176.117 -0.076 0.000 1.023 49 I CA -0.598 60.667 61.300 -0.059 0.000 1.083 49 I CB 1.792 39.754 38.000 -0.063 0.000 1.245 49 I HN 0.543 nan 8.210 nan 0.000 0.434 50 D N 4.616 124.977 120.400 -0.064 0.000 2.396 50 D HA 0.094 4.734 4.640 -0.000 0.000 0.225 50 D C 1.242 177.496 176.300 -0.077 0.000 1.121 50 D CA -0.287 53.666 54.000 -0.078 0.000 0.853 50 D CB 1.466 42.232 40.800 -0.057 0.000 1.043 50 D HN 0.673 nan 8.370 nan 0.000 0.500 51 T N 0.977 115.471 114.554 -0.100 0.000 3.163 51 T HA 0.021 4.370 4.350 -0.000 0.000 0.260 51 T C 1.676 176.337 174.700 -0.064 0.000 1.156 51 T CA 0.707 62.758 62.100 -0.082 0.000 1.072 51 T CB 0.019 68.828 68.868 -0.098 0.000 0.937 51 T HN 0.275 nan 8.240 nan 0.000 0.528 52 A N 2.632 125.411 122.820 -0.068 0.000 1.930 52 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 52 A C 1.839 179.402 177.584 -0.036 0.000 1.175 52 A CA 1.549 53.555 52.037 -0.052 0.000 0.627 52 A CB -0.264 18.701 19.000 -0.058 0.000 0.815 52 A HN 0.768 nan 8.150 nan 0.000 0.443 53 D N -4.833 115.546 120.400 -0.035 0.000 2.523 53 D HA 0.066 4.705 4.640 -0.000 0.000 0.269 53 D C 0.038 176.325 176.300 -0.022 0.000 1.374 53 D CA 0.112 54.097 54.000 -0.024 0.000 0.820 53 D CB -0.804 39.984 40.800 -0.020 0.000 1.211 53 D HN 0.132 nan 8.370 nan 0.000 0.502 54 N N 0.349 119.032 118.700 -0.029 0.000 2.800 54 N HA -0.147 4.592 4.740 -0.000 0.000 0.250 54 N C -0.240 175.257 175.510 -0.022 0.000 1.078 54 N CA 1.502 54.536 53.050 -0.026 0.000 0.804 54 N CB -2.218 36.258 38.487 -0.019 0.000 1.135 54 N HN 0.699 nan 8.380 nan 0.000 0.565 55 T N -1.944 112.597 114.554 -0.022 0.000 2.860 55 T HA 0.497 4.847 4.350 -0.000 0.000 0.299 55 T C 0.360 175.050 174.700 -0.017 0.000 1.045 55 T CA -0.205 61.886 62.100 -0.015 0.000 1.071 55 T CB 1.944 70.805 68.868 -0.012 0.000 0.985 55 T HN 0.182 nan 8.240 nan 0.000 0.537 56 Q N 0.013 119.808 119.800 -0.009 0.000 2.495 56 Q HA 0.758 5.098 4.340 -0.000 0.000 0.287 56 Q C -1.203 174.799 176.000 0.004 0.000 1.078 56 Q CA -1.098 54.700 55.803 -0.007 0.000 0.793 56 Q CB 2.748 31.483 28.738 -0.005 0.000 1.459 56 Q HN 0.568 nan 8.270 nan 0.000 0.422 60 Y N 3.288 123.602 120.300 0.024 0.000 2.322 60 Y HA 0.500 5.050 4.550 -0.000 0.000 0.324 60 Y C 0.383 176.339 175.900 0.094 0.000 1.027 60 Y CA -0.666 57.463 58.100 0.049 0.000 1.179 60 Y CB 1.273 39.756 38.460 0.039 0.000 1.136 60 Y HN 0.594 nan 8.280 nan 0.000 0.449 61 R N 2.873 123.215 120.500 -0.264 0.000 3.516 61 R HA -0.230 4.110 4.340 -0.000 0.000 0.271 61 R C 1.170 177.557 176.300 0.145 0.000 1.098 61 R CA 0.768 56.852 56.100 -0.026 0.000 0.732 61 R CB -1.610 28.776 30.300 0.145 0.000 1.152 61 R HN 0.994 nan 8.270 nan 0.000 0.455 62 G N 0.233 109.077 108.800 0.073 0.000 2.470 62 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 62 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 62 G C 0.822 175.785 174.900 0.105 0.000 1.121 62 G CA 0.866 46.018 45.100 0.086 0.000 0.766 62 G HN 0.378 nan 8.290 nan 0.000 0.553 63 D N 0.097 120.549 120.400 0.087 0.000 2.395 63 D HA 0.104 4.744 4.640 -0.000 0.000 0.213 63 D C 0.408 176.755 176.300 0.079 0.000 1.110 63 D CA 0.010 54.054 54.000 0.074 0.000 0.835 63 D CB 0.642 41.462 40.800 0.034 0.000 0.965 63 D HN 0.424 nan 8.370 nan 0.000 0.505 64 E N 1.060 121.335 120.200 0.124 0.000 2.313 64 E HA 0.302 4.652 4.350 -0.000 0.000 0.272 64 E C 0.223 176.880 176.600 0.095 0.000 1.038 64 E CA -0.428 55.995 56.400 0.037 0.000 0.863 64 E CB 1.759 31.416 29.700 -0.072 0.000 1.060 64 E HN -0.133 nan 8.360 nan 0.000 0.402 65 R N 1.599 122.064 120.500 -0.059 0.000 2.441 65 R HA 0.358 4.698 4.340 -0.000 0.000 0.284 65 R C -0.797 175.393 176.300 -0.183 0.000 1.070 65 R CA 0.051 56.144 56.100 -0.012 0.000 1.047 65 R CB 0.487 30.749 30.300 -0.063 0.000 1.016 65 R HN 0.337 nan 8.270 nan 0.000 0.477 66 F N 2.192 122.120 119.950 -0.036 0.000 2.576 66 F HA 0.361 4.888 4.527 0.000 0.000 0.313 66 F C -2.012 173.639 175.800 -0.249 0.000 1.078 66 F CA -2.807 55.116 58.000 -0.128 0.000 0.921 66 F CB 1.966 40.904 39.000 -0.103 0.000 1.232 66 F HN 0.327 nan 8.300 nan 0.000 0.459 67 P HA 0.214 nan 4.420 nan 0.000 0.271 67 P C 0.343 177.482 177.300 -0.269 0.000 1.226 67 P CA 0.101 63.114 63.100 -0.146 0.000 0.765 67 P CB 0.563 32.201 31.700 -0.104 0.000 0.835 68 M N 1.242 120.695 119.600 -0.245 0.000 2.254 68 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 68 M C 1.014 177.240 176.300 -0.124 0.000 1.066 68 M CA 0.919 56.069 55.300 -0.249 0.000 1.123 68 M CB -0.636 31.920 32.600 -0.073 0.000 1.388 68 M HN 0.411 nan 8.290 nan 0.000 0.425 69 C N -0.371 118.883 119.300 -0.076 0.000 0.168 69 C HA -0.268 4.192 4.460 -0.000 0.000 0.017 69 C C 2.256 177.260 174.990 0.023 0.000 0.171 69 C CA 0.271 59.275 59.018 -0.023 0.000 0.499 69 C CB -1.780 25.946 27.740 -0.022 0.000 3.212 69 C HN 0.721 nan 8.230 nan 0.000 1.118 70 G N 0.267 109.090 108.800 0.037 0.000 2.501 70 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 70 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 70 G C 1.286 176.245 174.900 0.098 0.000 1.114 70 G CA 2.395 47.534 45.100 0.064 0.000 0.757 70 G HN 1.431 nan 8.290 nan 0.000 0.559 71 T N -0.455 114.172 114.554 0.122 0.000 2.929 71 T HA -0.135 4.215 4.350 -0.000 0.000 0.271 71 T C 2.483 177.310 174.700 0.211 0.000 1.085 71 T CA 1.696 63.905 62.100 0.182 0.000 1.125 71 T CB -0.451 68.589 68.868 0.286 0.000 0.874 71 T HN 0.415 nan 8.240 nan 0.000 0.494 72 S N 1.475 117.297 115.700 0.203 0.000 2.474 72 S HA -0.016 4.454 4.470 -0.000 0.000 0.235 72 S C 1.861 176.600 174.600 0.232 0.000 0.997 72 S CA 0.449 58.827 58.200 0.297 0.000 0.949 72 S CB -0.482 62.859 63.200 0.235 0.000 0.766 72 S HN 0.619 nan 8.310 nan 0.000 0.517 73 K N 0.876 121.367 120.400 0.152 0.000 2.209 73 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 73 K C 1.875 178.532 176.600 0.095 0.000 1.048 73 K CA 1.142 57.491 56.287 0.104 0.000 0.940 73 K CB -0.427 32.118 32.500 0.074 0.000 0.729 73 K HN 0.281 nan 8.250 nan 0.000 0.451 74 V N 1.136 121.122 119.914 0.121 0.000 2.343 74 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 74 V C 2.242 178.395 176.094 0.098 0.000 1.051 74 V CA 1.625 63.994 62.300 0.114 0.000 1.036 74 V CB -0.304 31.595 31.823 0.126 0.000 0.654 74 V HN 0.327 nan 8.190 nan 0.000 0.451 75 M N 0.563 120.222 119.600 0.098 0.000 2.117 75 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 75 M C 2.040 178.348 176.300 0.013 0.000 1.065 75 M CA 2.089 57.408 55.300 0.032 0.000 1.114 75 M CB -0.624 31.838 32.600 -0.229 0.000 1.361 75 M HN 0.268 nan 8.290 nan 0.000 0.408 76 A N -0.351 122.497 122.820 0.047 0.000 1.877 76 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 76 A C 2.353 179.899 177.584 -0.064 0.000 1.186 76 A CA 1.982 54.021 52.037 0.003 0.000 0.620 76 A CB -1.450 17.578 19.000 0.047 0.000 0.822 76 A HN 0.603 nan 8.150 nan 0.000 0.443 77 A N -0.133 122.673 122.820 -0.024 0.000 1.902 77 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 77 A C 2.505 180.081 177.584 -0.014 0.000 1.181 77 A CA 2.158 54.189 52.037 -0.010 0.000 0.623 77 A CB -1.041 17.973 19.000 0.023 0.000 0.818 77 A HN 1.089 nan 8.150 nan 0.000 0.443 78 A N -0.176 122.615 122.820 -0.048 0.000 1.933 78 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 78 A C 2.482 179.701 177.584 -0.609 0.000 1.175 78 A CA 2.073 54.030 52.037 -0.132 0.000 0.628 78 A CB -0.951 18.086 19.000 0.061 0.000 0.814 78 A HN 1.059 nan 8.150 nan 0.000 0.444 79 A N -0.621 121.647 122.820 -0.920 0.000 1.902 79 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 79 A C 2.207 179.462 177.584 -0.549 0.000 1.181 79 A CA 1.771 53.035 52.037 -1.288 0.000 0.623 79 A CB -0.839 17.724 19.000 -0.728 0.000 0.818 79 A HN 0.389 nan 8.150 nan 0.000 0.443 80 V N -0.021 119.723 119.914 -0.283 0.000 2.427 80 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 80 V C 2.528 178.575 176.094 -0.078 0.000 1.051 80 V CA 1.712 63.937 62.300 -0.125 0.000 1.048 80 V CB -0.705 31.084 31.823 -0.055 0.000 0.666 80 V HN 0.557 nan 8.190 nan 0.000 0.456 81 L N -0.005 121.180 121.223 -0.064 0.000 2.042 81 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 81 L C 2.633 179.477 176.870 -0.044 0.000 1.076 81 L CA 1.788 56.620 54.840 -0.012 0.000 0.749 81 L CB -0.530 41.542 42.059 0.022 0.000 0.893 81 L HN 0.299 nan 8.230 nan 0.000 0.432 82 K N 0.324 120.654 120.400 -0.116 0.000 2.057 82 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 82 K C 2.050 178.643 176.600 -0.012 0.000 1.049 82 K CA 1.585 57.856 56.287 -0.027 0.000 0.931 82 K CB -0.207 32.310 32.500 0.029 0.000 0.714 82 K HN 0.292 nan 8.250 nan 0.000 0.440 83 Q N -0.103 119.665 119.800 -0.052 0.000 2.135 83 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 83 Q C 1.929 177.928 176.000 -0.002 0.000 0.981 83 Q CA 1.833 57.626 55.803 -0.017 0.000 0.856 83 Q CB -0.222 28.499 28.738 -0.029 0.000 0.902 83 Q HN 0.558 nan 8.270 nan 0.000 0.425 84 S N 0.211 115.909 115.700 -0.004 0.000 2.547 84 S HA -0.114 4.356 4.470 -0.000 0.000 0.235 84 S C 1.378 175.984 174.600 0.009 0.000 0.980 84 S CA 0.703 58.907 58.200 0.007 0.000 0.941 84 S CB -0.070 63.139 63.200 0.015 0.000 0.763 84 S HN 0.322 nan 8.310 nan 0.000 0.532 85 E N 0.999 121.206 120.200 0.012 0.000 2.204 85 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 85 E C 1.959 178.569 176.600 0.017 0.000 0.989 85 E CA 1.553 57.963 56.400 0.017 0.000 0.824 85 E CB -0.084 29.634 29.700 0.029 0.000 0.756 85 E HN 0.947 nan 8.360 nan 0.000 0.477 86 T N -2.967 111.597 114.554 0.017 0.000 2.964 86 T HA 0.081 4.431 4.350 -0.000 0.000 0.249 86 T C 0.980 175.688 174.700 0.013 0.000 1.000 86 T CA -0.309 61.800 62.100 0.016 0.000 0.992 86 T CB 0.237 69.117 68.868 0.020 0.000 1.087 86 T HN -0.121 nan 8.240 nan 0.000 0.489 87 Q N 1.439 121.246 119.800 0.012 0.000 2.673 87 Q HA 0.359 4.699 4.340 -0.000 0.000 0.224 87 Q C 0.564 176.570 176.000 0.009 0.000 1.226 87 Q CA -0.349 55.460 55.803 0.010 0.000 1.019 87 Q CB 0.846 29.590 28.738 0.009 0.000 1.312 87 Q HN 0.417 nan 8.270 nan 0.000 0.566 88 K N 0.500 120.905 120.400 0.008 0.000 2.211 88 K HA -0.165 4.155 4.320 -0.000 0.000 0.204 88 K C 1.062 177.667 176.600 0.008 0.000 1.047 88 K CA 0.990 57.281 56.287 0.007 0.000 0.935 88 K CB 0.306 32.809 32.500 0.006 0.000 0.728 88 K HN 0.366 nan 8.250 nan 0.000 0.452 89 Q N 0.130 119.936 119.800 0.009 0.000 2.219 89 Q HA 0.081 4.420 4.340 -0.000 0.000 0.209 89 Q C 1.564 177.572 176.000 0.013 0.000 0.854 89 Q CA 0.029 55.838 55.803 0.010 0.000 0.960 89 Q CB 0.283 29.026 28.738 0.008 0.000 1.116 89 Q HN 0.166 nan 8.270 nan 0.000 0.500 90 L N 0.697 121.928 121.223 0.014 0.000 2.043 90 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 90 L C 1.752 178.635 176.870 0.022 0.000 1.075 90 L CA 1.753 56.601 54.840 0.014 0.000 0.752 90 L CB -0.531 41.535 42.059 0.012 0.000 0.891 90 L HN 0.218 nan 8.230 nan 0.000 0.432 91 L N -0.399 120.844 121.223 0.035 0.000 2.265 91 L HA -0.160 4.180 4.340 -0.000 0.000 0.215 91 L C 1.357 178.254 176.870 0.044 0.000 1.117 91 L CA 0.710 55.585 54.840 0.058 0.000 0.782 91 L CB -0.635 41.480 42.059 0.093 0.000 0.914 91 L HN 0.405 nan 8.230 nan 0.000 0.441 92 N N -0.304 118.413 118.700 0.028 0.000 2.270 92 N HA -0.020 4.720 4.740 -0.000 0.000 0.198 92 N C 0.466 175.981 175.510 0.007 0.000 1.117 92 N CA 0.116 53.177 53.050 0.019 0.000 0.845 92 N CB 0.261 38.758 38.487 0.017 0.000 0.980 92 N HN 0.413 nan 8.380 nan 0.000 0.486 93 Q N 2.281 122.084 119.800 0.006 0.000 2.297 93 Q HA 0.162 4.502 4.340 -0.000 0.000 0.267 93 Q C -2.507 173.489 176.000 -0.008 0.000 1.006 93 Q CA -1.463 54.340 55.803 0.000 0.000 0.896 93 Q CB 0.842 29.581 28.738 0.001 0.000 1.186 93 Q HN -0.012 nan 8.270 nan 0.000 0.392 94 P HA 0.080 nan 4.420 nan 0.000 0.276 94 P C -1.320 175.970 177.300 -0.016 0.000 1.230 94 P CA -0.185 62.905 63.100 -0.018 0.000 0.776 94 P CB 1.012 32.704 31.700 -0.012 0.000 0.888 95 V N 2.871 122.771 119.914 -0.024 0.000 2.540 95 V HA 0.241 4.361 4.120 -0.000 0.000 0.302 95 V C 0.354 176.438 176.094 -0.017 0.000 1.035 95 V CA -0.847 61.441 62.300 -0.020 0.000 0.873 95 V CB 1.534 33.343 31.823 -0.025 0.000 0.992 95 V HN 0.581 nan 8.190 nan 0.000 0.428 96 E N 5.543 125.738 120.200 -0.008 0.000 2.360 96 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 96 E C -1.156 175.444 176.600 -0.001 0.000 1.022 96 E CA -0.398 56.001 56.400 -0.002 0.000 0.887 96 E CB 0.838 30.538 29.700 0.001 0.000 0.990 96 E HN 0.461 nan 8.360 nan 0.000 0.426 97 I N 4.418 124.992 120.570 0.007 0.000 2.382 97 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 97 I C -0.057 176.066 176.117 0.011 0.000 1.007 97 I CA -0.661 60.645 61.300 0.010 0.000 1.142 97 I CB 0.983 38.999 38.000 0.026 0.000 1.289 97 I HN 0.571 nan 8.210 nan 0.000 0.453 98 K N 6.983 127.387 120.400 0.006 0.000 2.118 98 K HA 0.441 4.761 4.320 -0.000 0.000 0.254 98 K C -1.769 174.832 176.600 0.001 0.000 0.961 98 K CA -1.503 54.786 56.287 0.004 0.000 0.876 98 K CB 1.306 33.807 32.500 0.003 0.000 1.077 98 K HN 0.115 nan 8.250 nan 0.000 0.440 99 P HA -0.230 nan 4.420 nan 0.000 0.216 99 P C 0.788 178.086 177.300 -0.002 0.000 1.150 99 P CA 1.307 64.405 63.100 -0.004 0.000 0.843 99 P CB 0.120 31.817 31.700 -0.005 0.000 0.787 100 A N -0.544 122.276 122.820 0.000 0.000 2.121 100 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 100 A C 1.727 179.313 177.584 0.004 0.000 1.154 100 A CA 1.543 53.581 52.037 0.002 0.000 0.679 100 A CB -1.044 17.958 19.000 0.003 0.000 0.795 100 A HN 0.093 nan 8.150 nan 0.000 0.458 101 D N -0.176 120.226 120.400 0.003 0.000 2.277 101 D HA 0.057 4.697 4.640 -0.000 0.000 0.208 101 D C 0.636 176.940 176.300 0.006 0.000 0.962 101 D CA 0.253 54.256 54.000 0.005 0.000 0.865 101 D CB -0.191 40.611 40.800 0.004 0.000 0.939 101 D HN 0.398 nan 8.370 nan 0.000 0.510 102 L N 1.530 122.754 121.223 0.003 0.000 2.490 102 L HA 0.057 4.397 4.340 -0.000 0.000 0.274 102 L C 1.156 178.033 176.870 0.011 0.000 1.201 102 L CA -0.344 54.498 54.840 0.002 0.000 0.869 102 L CB 0.704 42.759 42.059 -0.006 0.000 1.123 102 L HN -0.123 nan 8.230 nan 0.000 0.484 103 V N 0.523 120.449 119.914 0.020 0.000 6.636 103 V HA 0.323 4.443 4.120 -0.000 0.000 0.271 103 V C 1.102 177.224 176.094 0.047 0.000 1.655 103 V CA 0.038 62.357 62.300 0.032 0.000 0.583 103 V CB 0.514 32.360 31.823 0.039 0.000 1.526 103 V HN 0.840 nan 8.190 nan 0.000 0.370 104 N N -0.820 117.924 118.700 0.073 0.000 2.424 104 N HA 0.022 4.762 4.740 -0.000 0.000 0.178 104 N C -0.113 175.508 175.510 0.184 0.000 1.060 104 N CA 0.740 53.850 53.050 0.100 0.000 0.901 104 N CB 0.289 38.828 38.487 0.086 0.000 0.979 104 N HN 0.855 nan 8.380 nan 0.000 0.451 105 Y N 0.752 121.061 120.300 0.015 0.000 2.294 105 Y HA 0.327 4.877 4.550 -0.001 0.000 0.329 105 Y C -1.470 174.443 175.900 0.021 0.000 1.135 105 Y CA -0.919 57.193 58.100 0.020 0.000 1.213 105 Y CB 0.667 39.144 38.460 0.027 0.000 1.141 105 Y HN -0.032 nan 8.280 nan 0.000 0.446 106 N N 7.660 126.184 118.700 -0.293 0.000 2.672 106 N HA 0.145 4.885 4.740 -0.000 0.000 0.295 106 N C -2.601 172.741 175.510 -0.279 0.000 1.924 106 N CA -1.136 51.784 53.050 -0.217 0.000 0.851 106 N CB 1.157 39.587 38.487 -0.094 0.000 1.281 106 N HN 0.474 nan 8.380 nan 0.000 0.494 107 P HA -0.061 nan 4.420 nan 0.000 0.219 107 P C 1.230 178.383 177.300 -0.245 0.000 1.146 107 P CA 0.841 63.740 63.100 -0.335 0.000 0.808 107 P CB 0.644 32.134 31.700 -0.349 0.000 0.779 108 I N -0.478 119.961 120.570 -0.218 0.000 2.729 108 I HA 0.075 4.245 4.170 -0.000 0.000 0.256 108 I C 2.533 178.639 176.117 -0.018 0.000 1.115 108 I CA 0.827 62.029 61.300 -0.164 0.000 1.446 108 I CB -1.924 35.953 38.000 -0.206 0.000 1.176 108 I HN -0.121 nan 8.210 nan 0.000 0.446 109 A N 1.726 124.529 122.820 -0.028 0.000 1.972 109 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 109 A C 2.148 179.734 177.584 0.004 0.000 1.169 109 A CA 1.810 53.862 52.037 0.024 0.000 0.635 109 A CB -0.827 18.167 19.000 -0.010 0.000 0.810 109 A HN 0.668 nan 8.150 nan 0.000 0.446 110 E N 0.312 120.477 120.200 -0.058 0.000 2.265 110 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 110 E C 1.525 178.058 176.600 -0.112 0.000 0.996 110 E CA 1.314 57.669 56.400 -0.075 0.000 0.832 110 E CB -0.286 29.361 29.700 -0.088 0.000 0.756 110 E HN 0.621 nan 8.360 nan 0.000 0.491 111 K N -0.135 120.160 120.400 -0.176 0.000 2.366 111 K HA -0.020 4.299 4.320 -0.000 0.000 0.198 111 K C 1.042 177.333 176.600 -0.515 0.000 1.044 111 K CA 0.777 56.853 56.287 -0.353 0.000 0.973 111 K CB 0.082 32.300 32.500 -0.470 0.000 0.767 111 K HN 0.373 nan 8.250 nan 0.000 0.475 112 H N -0.236 118.799 119.070 -0.059 0.000 2.674 112 H HA 0.156 4.712 4.556 -0.001 0.000 0.274 112 H C 0.017 175.322 175.328 -0.038 0.000 1.121 112 H CA -0.289 55.731 56.048 -0.047 0.000 1.132 112 H CB 0.384 30.116 29.762 -0.050 0.000 1.606 112 H HN -0.152 nan 8.280 nan 0.000 0.558 113 V N 2.705 122.629 119.914 0.017 0.000 2.788 113 V HA -0.146 3.974 4.120 -0.000 0.000 0.307 113 V C 0.977 177.075 176.094 0.007 0.000 1.069 113 V CA 0.470 62.775 62.300 0.008 0.000 1.173 113 V CB 0.250 32.065 31.823 -0.014 0.000 0.925 113 V HN 0.667 nan 8.190 nan 0.000 0.492 114 N N 2.247 120.953 118.700 0.009 0.000 2.741 114 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 114 N C 0.114 175.633 175.510 0.015 0.000 1.112 114 N CA 1.267 54.321 53.050 0.007 0.000 0.750 114 N CB -1.044 37.442 38.487 -0.001 0.000 1.119 114 N HN 1.010 nan 8.380 nan 0.000 0.561 115 G N -1.623 107.196 108.800 0.031 0.000 2.947 115 G HA2 0.747 4.707 3.960 -0.000 0.000 0.293 115 G HA3 0.747 4.707 3.960 -0.000 0.000 0.293 115 G C -0.649 174.273 174.900 0.037 0.000 1.243 115 G CA 0.391 45.517 45.100 0.043 0.000 0.802 115 G HN 0.358 nan 8.290 nan 0.000 0.560 116 T N -2.591 111.982 114.554 0.032 0.000 2.901 116 T HA 0.780 5.130 4.350 -0.000 0.000 0.293 116 T C -0.561 174.096 174.700 -0.072 0.000 1.084 116 T CA -0.675 61.419 62.100 -0.010 0.000 1.008 116 T CB 2.026 70.885 68.868 -0.014 0.000 1.170 116 T HN 0.488 nan 8.240 nan 0.000 0.509 117 M N 1.807 121.344 119.600 -0.105 0.000 2.501 117 M HA 0.476 4.956 4.480 -0.000 0.000 0.293 117 M C 0.074 176.311 176.300 -0.105 0.000 1.192 117 M CA -0.849 54.342 55.300 -0.182 0.000 0.886 117 M CB 2.947 35.409 32.600 -0.229 0.000 1.710 117 M HN 1.016 nan 8.290 nan 0.000 0.457 118 T N -1.213 113.284 114.554 -0.094 0.000 2.849 118 T HA 0.433 4.783 4.350 -0.000 0.000 0.284 118 T C 0.994 175.667 174.700 -0.045 0.000 1.004 118 T CA -0.790 61.281 62.100 -0.048 0.000 1.021 118 T CB 0.759 69.614 68.868 -0.022 0.000 1.013 118 T HN 0.649 nan 8.240 nan 0.000 0.527 119 L N 0.841 122.053 121.223 -0.019 0.000 2.191 119 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 119 L C 3.066 179.931 176.870 -0.008 0.000 1.103 119 L CA 1.383 56.212 54.840 -0.018 0.000 0.769 119 L CB -0.878 41.181 42.059 0.001 0.000 0.908 119 L HN 0.962 nan 8.230 nan 0.000 0.438 120 A N -0.042 122.806 122.820 0.047 0.000 1.873 120 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 120 A C 2.156 179.734 177.584 -0.009 0.000 1.186 120 A CA 1.516 53.635 52.037 0.137 0.000 0.616 120 A CB -0.362 18.772 19.000 0.224 0.000 0.823 120 A HN 0.412 nan 8.150 nan 0.000 0.442 121 E N -0.226 119.950 120.200 -0.039 0.000 2.110 121 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 121 E C 1.890 178.394 176.600 -0.161 0.000 0.988 121 E CA 1.114 57.454 56.400 -0.100 0.000 0.804 121 E CB -0.260 29.363 29.700 -0.128 0.000 0.745 121 E HN 0.619 nan 8.360 nan 0.000 0.458 122 L N 0.387 121.521 121.223 -0.149 0.000 2.093 122 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 122 L C 2.459 179.202 176.870 -0.211 0.000 1.085 122 L CA 0.752 55.505 54.840 -0.145 0.000 0.755 122 L CB -0.178 41.821 42.059 -0.100 0.000 0.904 122 L HN 0.037 nan 8.230 nan 0.000 0.435 123 S N -0.000 115.511 115.700 -0.315 0.000 2.356 123 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 123 S C 2.215 176.338 174.600 -0.796 0.000 1.032 123 S CA 1.236 59.115 58.200 -0.536 0.000 1.005 123 S CB -0.330 62.450 63.200 -0.700 0.000 0.867 123 S HN 0.489 nan 8.310 nan 0.000 0.449 124 A N 1.524 123.779 122.820 -0.940 0.000 1.933 124 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 124 A C 2.335 179.765 177.584 -0.255 0.000 1.175 124 A CA 1.677 53.231 52.037 -0.805 0.000 0.628 124 A CB -1.026 17.686 19.000 -0.481 0.000 0.814 124 A HN 0.507 nan 8.150 nan 0.000 0.444 125 A N -0.106 122.626 122.820 -0.147 0.000 1.898 125 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 125 A C 2.514 180.125 177.584 0.045 0.000 1.181 125 A CA 2.019 54.069 52.037 0.021 0.000 0.620 125 A CB -1.033 17.931 19.000 -0.061 0.000 0.819 125 A HN 1.031 nan 8.150 nan 0.000 0.442 126 A N -0.339 122.448 122.820 -0.054 0.000 1.902 126 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 126 A C 2.204 179.786 177.584 -0.005 0.000 1.181 126 A CA 1.582 53.609 52.037 -0.016 0.000 0.623 126 A CB -0.556 18.414 19.000 -0.050 0.000 0.818 126 A HN 0.469 nan 8.150 nan 0.000 0.443 127 L N -1.317 119.857 121.223 -0.082 0.000 2.068 127 L HA -0.161 4.178 4.340 -0.000 0.000 0.204 127 L C 2.818 179.672 176.870 -0.026 0.000 1.076 127 L CA 1.396 56.209 54.840 -0.046 0.000 0.753 127 L CB -0.490 41.520 42.059 -0.082 0.000 0.910 127 L HN 0.458 nan 8.230 nan 0.000 0.439 128 Q N -1.571 118.193 119.800 -0.059 0.000 2.354 128 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 128 Q C 1.063 176.819 176.000 -0.407 0.000 0.933 128 Q CA 0.979 56.669 55.803 -0.188 0.000 0.901 128 Q CB 0.353 28.967 28.738 -0.208 0.000 1.007 128 Q HN 0.510 nan 8.270 nan 0.000 0.495 129 Y N -1.323 118.994 120.300 0.028 0.000 2.453 129 Y HA 0.245 4.795 4.550 -0.001 0.000 0.247 129 Y C 0.774 176.768 175.900 0.157 0.000 1.124 129 Y CA -0.227 57.918 58.100 0.075 0.000 1.243 129 Y CB 1.169 39.645 38.460 0.027 0.000 1.213 129 Y HN -0.173 nan 8.280 nan 0.000 0.523 130 S N 1.456 117.283 115.700 0.212 0.000 3.641 130 S HA -0.217 4.253 4.470 -0.000 0.000 0.346 130 S C -0.160 174.616 174.600 0.293 0.000 1.074 130 S CA 0.602 58.927 58.200 0.209 0.000 1.026 130 S CB -1.284 62.019 63.200 0.172 0.000 0.908 130 S HN 0.577 nan 8.310 nan 0.000 0.479 131 D N 0.826 121.349 120.400 0.207 0.000 2.401 131 D HA 0.112 4.752 4.640 -0.000 0.000 0.254 131 D C 1.226 177.592 176.300 0.109 0.000 1.192 131 D CA -0.091 53.982 54.000 0.122 0.000 0.885 131 D CB 0.383 41.197 40.800 0.024 0.000 1.147 131 D HN 0.358 nan 8.370 nan 0.000 0.478 132 N N 2.161 120.944 118.700 0.139 0.000 2.270 132 N HA -0.095 4.645 4.740 -0.000 0.000 0.181 132 N C 1.511 177.053 175.510 0.054 0.000 1.016 132 N CA 0.782 53.894 53.050 0.104 0.000 0.870 132 N CB -0.016 38.549 38.487 0.130 0.000 0.979 132 N HN 0.423 nan 8.380 nan 0.000 0.431 133 T N 0.739 115.312 114.554 0.033 0.000 2.777 133 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 133 T C 1.951 176.653 174.700 0.004 0.000 1.040 133 T CA 1.224 63.332 62.100 0.014 0.000 1.141 133 T CB -0.249 68.619 68.868 -0.000 0.000 0.868 133 T HN 0.299 nan 8.240 nan 0.000 0.444 134 A N 1.618 124.436 122.820 -0.003 0.000 1.877 134 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 134 A C 2.252 179.828 177.584 -0.014 0.000 1.186 134 A CA 2.026 54.050 52.037 -0.022 0.000 0.620 134 A CB -0.711 18.266 19.000 -0.038 0.000 0.822 134 A HN 0.445 nan 8.150 nan 0.000 0.443 135 M N 0.598 120.203 119.600 0.009 0.000 2.108 135 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 135 M C 1.357 177.668 176.300 0.019 0.000 1.066 135 M CA 2.078 57.389 55.300 0.018 0.000 1.107 135 M CB -0.844 31.781 32.600 0.043 0.000 1.356 135 M HN 0.376 nan 8.290 nan 0.000 0.406 136 N N 0.281 118.993 118.700 0.021 0.000 2.223 136 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 136 N C 1.488 177.004 175.510 0.010 0.000 1.016 136 N CA 1.113 54.174 53.050 0.019 0.000 0.863 136 N CB -0.312 38.187 38.487 0.020 0.000 0.983 136 N HN 0.375 nan 8.380 nan 0.000 0.429 137 K N 0.811 121.211 120.400 0.000 0.000 2.097 137 K HA 0.051 4.371 4.320 -0.000 0.000 0.205 137 K C 2.112 178.707 176.600 -0.009 0.000 1.050 137 K CA 0.375 56.658 56.287 -0.007 0.000 0.938 137 K CB -0.461 32.028 32.500 -0.018 0.000 0.718 137 K HN 0.272 nan 8.250 nan 0.000 0.442 138 L N 0.455 121.670 121.223 -0.012 0.000 2.017 138 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 138 L C 2.447 179.318 176.870 0.001 0.000 1.073 138 L CA 1.077 55.908 54.840 -0.015 0.000 0.745 138 L CB -0.531 41.515 42.059 -0.022 0.000 0.894 138 L HN 0.043 nan 8.230 nan 0.000 0.432 139 I N 0.181 120.761 120.570 0.017 0.000 2.208 139 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 139 I C 2.830 178.962 176.117 0.025 0.000 1.097 139 I CA 1.254 62.574 61.300 0.032 0.000 1.363 139 I CB -0.468 37.557 38.000 0.042 0.000 1.051 139 I HN 0.214 nan 8.210 nan 0.000 0.413 140 A N 0.245 123.075 122.820 0.016 0.000 1.902 140 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 140 A C 2.241 179.832 177.584 0.011 0.000 1.181 140 A CA 1.911 53.956 52.037 0.014 0.000 0.623 140 A CB -0.634 18.372 19.000 0.010 0.000 0.818 140 A HN 0.443 nan 8.150 nan 0.000 0.443 141 Q N 0.174 119.976 119.800 0.004 0.000 2.181 141 Q HA -0.060 4.280 4.340 -0.000 0.000 0.205 141 Q C 1.452 177.454 176.000 0.004 0.000 0.980 141 Q CA 1.668 57.471 55.803 0.000 0.000 0.862 141 Q CB -0.584 28.149 28.738 -0.009 0.000 0.905 141 Q HN 0.638 nan 8.270 nan 0.000 0.429 142 L N -1.224 120.003 121.223 0.008 0.000 2.591 142 L HA 0.290 4.630 4.340 -0.000 0.000 0.228 142 L C 1.127 178.016 176.870 0.031 0.000 1.133 142 L CA 0.356 55.206 54.840 0.017 0.000 0.880 142 L CB -0.137 41.933 42.059 0.019 0.000 1.033 142 L HN 0.480 nan 8.230 nan 0.000 0.450 143 G N -0.211 108.605 108.800 0.027 0.000 2.132 143 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.234 143 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.234 143 G C 0.512 175.433 174.900 0.035 0.000 0.989 143 G CA -0.043 45.075 45.100 0.030 0.000 0.676 143 G HN 0.864 nan 8.290 nan 0.000 0.522 144 G N -1.890 106.933 108.800 0.038 0.000 2.479 144 G HA2 0.333 4.293 3.960 -0.000 0.000 0.686 144 G HA3 0.333 4.293 3.960 -0.000 0.000 0.686 144 G C -1.200 173.736 174.900 0.060 0.000 1.295 144 G CA 0.134 45.260 45.100 0.042 0.000 0.922 144 G HN 0.424 nan 8.290 nan 0.000 0.582 145 P HA -0.057 nan 4.420 nan 0.000 0.216 145 P C 2.064 179.429 177.300 0.109 0.000 1.150 145 P CA 2.297 65.448 63.100 0.084 0.000 0.843 145 P CB -0.075 31.660 31.700 0.057 0.000 0.787 146 G N -0.549 108.301 108.800 0.084 0.000 2.448 146 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 146 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 146 G C 1.733 176.699 174.900 0.109 0.000 1.127 146 G CA 0.852 46.007 45.100 0.092 0.000 0.766 146 G HN 0.377 nan 8.290 nan 0.000 0.552 147 G N 0.343 109.202 108.800 0.099 0.000 2.422 147 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.218 147 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.218 147 G C 1.707 176.691 174.900 0.141 0.000 1.140 147 G CA 1.086 46.247 45.100 0.102 0.000 0.775 147 G HN 0.319 nan 8.290 nan 0.000 0.545 148 V N 1.036 121.048 119.914 0.164 0.000 2.358 148 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 148 V C 3.097 179.354 176.094 0.272 0.000 1.047 148 V CA 2.237 64.666 62.300 0.214 0.000 1.035 148 V CB -0.914 31.066 31.823 0.262 0.000 0.658 148 V HN 0.354 nan 8.190 nan 0.000 0.452 149 T N 0.628 115.375 114.554 0.322 0.000 2.821 149 T HA -0.116 4.233 4.350 -0.000 0.000 0.267 149 T C 2.094 176.904 174.700 0.184 0.000 1.046 149 T CA 1.503 63.808 62.100 0.341 0.000 1.139 149 T CB -0.405 68.623 68.868 0.267 0.000 0.871 149 T HN 0.556 nan 8.240 nan 0.000 0.454 150 A N 1.152 124.063 122.820 0.152 0.000 1.933 150 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 150 A C 1.992 179.639 177.584 0.105 0.000 1.175 150 A CA 1.320 53.422 52.037 0.109 0.000 0.628 150 A CB -0.923 18.138 19.000 0.103 0.000 0.814 150 A HN 0.501 nan 8.150 nan 0.000 0.444 151 F N 1.088 121.037 119.950 -0.002 0.000 2.146 151 F HA -0.011 4.516 4.527 -0.001 0.000 0.298 151 F C 2.455 178.211 175.800 -0.072 0.000 1.096 151 F CA 0.991 58.970 58.000 -0.035 0.000 1.275 151 F CB -0.564 38.408 39.000 -0.047 0.000 1.008 151 F HN 0.246 nan 8.300 nan 0.000 0.480 152 A N 1.241 123.919 122.820 -0.237 0.000 1.892 152 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 152 A C 2.338 179.773 177.584 -0.248 0.000 1.188 152 A CA 1.760 53.579 52.037 -0.363 0.000 0.631 152 A CB -0.680 18.147 19.000 -0.288 0.000 0.822 152 A HN 0.371 nan 8.150 nan 0.000 0.447 153 R N -0.442 119.993 120.500 -0.109 0.000 2.096 153 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 153 R C 2.350 178.580 176.300 -0.117 0.000 1.127 153 R CA 1.328 57.386 56.100 -0.070 0.000 0.968 153 R CB -1.191 29.104 30.300 -0.007 0.000 0.861 153 R HN 0.546 nan 8.270 nan 0.000 0.440 154 A N 1.791 124.514 122.820 -0.163 0.000 2.019 154 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 154 A C 2.027 179.480 177.584 -0.218 0.000 1.164 154 A CA 1.304 53.248 52.037 -0.155 0.000 0.644 154 A CB -0.502 18.433 19.000 -0.108 0.000 0.805 154 A HN 0.458 nan 8.150 nan 0.000 0.449 155 I N -5.127 115.222 120.570 -0.369 0.000 3.861 155 I HA 0.524 4.694 4.170 -0.000 0.000 0.329 155 I C 1.042 177.045 176.117 -0.189 0.000 1.321 155 I CA 0.528 61.639 61.300 -0.315 0.000 1.126 155 I CB -0.041 37.665 38.000 -0.490 0.000 1.018 155 I HN 0.301 nan 8.210 nan 0.000 0.407 156 G N 1.415 110.127 108.800 -0.146 0.000 2.157 156 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.239 156 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.239 156 G C -0.177 174.686 174.900 -0.062 0.000 0.982 156 G CA 0.253 45.304 45.100 -0.082 0.000 0.650 156 G HN 0.573 nan 8.290 nan 0.000 0.527 157 D N 0.808 121.158 120.400 -0.082 0.000 2.380 157 D HA 0.388 5.028 4.640 -0.000 0.000 0.230 157 D C 1.135 177.447 176.300 0.020 0.000 1.154 157 D CA -0.278 53.707 54.000 -0.026 0.000 0.859 157 D CB 0.433 41.206 40.800 -0.046 0.000 1.045 157 D HN 0.493 nan 8.370 nan 0.000 0.495 158 E N 1.565 121.786 120.200 0.035 0.000 2.474 158 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 158 E C 0.744 177.387 176.600 0.072 0.000 1.039 158 E CA 0.173 56.600 56.400 0.046 0.000 0.881 158 E CB 0.752 30.468 29.700 0.026 0.000 0.970 158 E HN 0.382 nan 8.360 nan 0.000 0.486 159 T N 0.376 114.992 114.554 0.104 0.000 3.071 159 T HA 0.040 4.390 4.350 -0.000 0.000 0.239 159 T C 0.335 175.128 174.700 0.154 0.000 0.997 159 T CA -0.340 61.826 62.100 0.110 0.000 1.134 159 T CB -0.059 68.873 68.868 0.105 0.000 0.928 159 T HN 0.108 nan 8.240 nan 0.000 0.453 160 F N 5.053 125.029 119.950 0.043 0.000 2.642 160 F HA 0.167 4.694 4.527 0.001 0.000 0.371 160 F C 0.564 176.391 175.800 0.045 0.000 1.120 160 F CA -0.295 57.738 58.000 0.056 0.000 1.331 160 F CB 0.393 39.429 39.000 0.061 0.000 1.044 160 F HN 0.077 nan 8.300 nan 0.000 0.594 161 R N 5.976 126.162 120.500 -0.523 0.000 2.522 161 R HA 0.647 4.987 4.340 -0.000 0.000 0.283 161 R C -2.448 173.509 176.300 -0.571 0.000 1.074 161 R CA -1.190 54.716 56.100 -0.324 0.000 0.925 161 R CB 1.259 31.487 30.300 -0.121 0.000 1.205 161 R HN 0.648 nan 8.270 nan 0.000 0.436 162 L N 2.627 123.696 121.223 -0.257 0.000 2.313 162 L HA 0.427 4.767 4.340 -0.000 0.000 0.283 162 L C -0.286 176.569 176.870 -0.024 0.000 1.013 162 L CA 0.130 54.894 54.840 -0.127 0.000 0.816 162 L CB 1.700 43.818 42.059 0.099 0.000 1.236 162 L HN 0.833 nan 8.230 nan 0.000 0.419 163 D N 3.221 123.596 120.400 -0.042 0.000 2.469 163 D HA 0.181 4.821 4.640 -0.000 0.000 0.240 163 D C 0.268 176.566 176.300 -0.003 0.000 1.087 163 D CA 0.218 54.207 54.000 -0.018 0.000 0.876 163 D CB 1.092 41.870 40.800 -0.036 0.000 1.160 163 D HN 0.432 nan 8.370 nan 0.000 0.497 164 R N 0.452 120.949 120.500 -0.006 0.000 2.912 164 R HA 0.426 4.766 4.340 -0.000 0.000 0.262 164 R C 0.060 176.370 176.300 0.016 0.000 1.057 164 R CA -0.532 55.571 56.100 0.004 0.000 0.981 164 R CB 1.815 32.113 30.300 -0.003 0.000 1.201 164 R HN -0.060 nan 8.270 nan 0.000 0.484 165 T N -1.764 112.801 114.554 0.019 0.000 2.852 165 T HA 0.309 4.658 4.350 -0.000 0.000 0.281 165 T C 0.031 174.746 174.700 0.025 0.000 0.993 165 T CA -0.970 61.146 62.100 0.026 0.000 0.933 165 T CB 0.805 69.687 68.868 0.024 0.000 1.187 165 T HN 0.239 nan 8.240 nan 0.000 0.559 166 E N 2.073 122.292 120.200 0.031 0.000 2.331 166 E HA 0.225 4.575 4.350 -0.000 0.000 0.272 166 E C -1.612 175.007 176.600 0.031 0.000 1.036 166 E CA -2.113 54.308 56.400 0.035 0.000 0.864 166 E CB 1.298 31.026 29.700 0.046 0.000 1.035 166 E HN 0.518 nan 8.360 nan 0.000 0.408 167 P HA 0.003 nan 4.420 nan 0.000 0.267 167 P C 1.010 178.323 177.300 0.020 0.000 1.289 167 P CA 0.445 63.563 63.100 0.030 0.000 0.866 167 P CB 0.203 31.922 31.700 0.033 0.000 1.309 168 T N -0.881 113.682 114.554 0.016 0.000 2.977 168 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 168 T C 1.687 176.389 174.700 0.004 0.000 1.105 168 T CA 0.915 63.021 62.100 0.011 0.000 1.116 168 T CB -1.306 67.567 68.868 0.008 0.000 0.878 168 T HN 0.082 nan 8.240 nan 0.000 0.509 169 L N -0.265 120.960 121.223 0.004 0.000 2.549 169 L HA 0.279 4.619 4.340 -0.000 0.000 0.229 169 L C 1.373 178.234 176.870 -0.015 0.000 1.158 169 L CA 1.097 55.932 54.840 -0.010 0.000 0.842 169 L CB -0.975 41.081 42.059 -0.006 0.000 0.952 169 L HN 0.110 nan 8.230 nan 0.000 0.452 170 N N -0.008 118.691 118.700 -0.001 0.000 2.235 170 N HA 0.006 4.746 4.740 -0.000 0.000 0.209 170 N C 1.355 176.876 175.510 0.018 0.000 1.122 170 N CA 0.894 53.945 53.050 0.001 0.000 0.845 170 N CB 0.124 38.614 38.487 0.005 0.000 1.004 170 N HN 0.639 nan 8.380 nan 0.000 0.499 171 T N -1.362 113.205 114.554 0.020 0.000 2.881 171 T HA -0.037 4.313 4.350 -0.000 0.000 0.270 171 T C 1.312 176.071 174.700 0.099 0.000 1.068 171 T CA 0.893 63.026 62.100 0.056 0.000 1.131 171 T CB -0.217 68.675 68.868 0.041 0.000 0.871 171 T HN 0.229 nan 8.240 nan 0.000 0.479 172 A N 0.796 123.628 122.820 0.020 0.000 2.783 172 A HA -0.135 4.184 4.320 -0.000 0.000 0.292 172 A C 0.354 177.830 177.584 -0.181 0.000 1.495 172 A CA 0.647 52.666 52.037 -0.030 0.000 0.787 172 A CB -2.735 16.293 19.000 0.048 0.000 1.017 172 A HN 0.757 nan 8.150 nan 0.000 0.516 173 I N 0.600 121.059 120.570 -0.185 0.000 2.533 173 I HA 0.188 4.357 4.170 -0.000 0.000 0.284 173 I C -1.678 174.190 176.117 -0.414 0.000 1.109 173 I CA -1.711 59.379 61.300 -0.350 0.000 1.412 173 I CB 0.460 38.377 38.000 -0.139 0.000 1.396 173 I HN 0.134 nan 8.210 nan 0.000 0.543 174 P HA 0.044 nan 4.420 nan 0.000 0.264 174 P C 0.854 178.002 177.300 -0.252 0.000 1.193 174 P CA 0.597 63.459 63.100 -0.397 0.000 0.763 174 P CB 0.657 32.124 31.700 -0.388 0.000 0.810 175 G N 2.092 110.762 108.800 -0.217 0.000 2.253 175 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 175 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 175 G C 0.199 175.017 174.900 -0.136 0.000 0.998 175 G CA 0.071 45.075 45.100 -0.160 0.000 0.621 175 G HN 0.646 nan 8.290 nan 0.000 0.524 176 D N 1.614 121.927 120.400 -0.146 0.000 2.339 176 D HA 0.417 5.056 4.640 -0.000 0.000 0.256 176 D C -0.158 176.075 176.300 -0.112 0.000 1.214 176 D CA -1.572 52.359 54.000 -0.114 0.000 0.877 176 D CB 1.403 42.137 40.800 -0.110 0.000 1.111 176 D HN 0.212 nan 8.370 nan 0.000 0.478 177 P HA -0.006 nan 4.420 nan 0.000 0.236 177 P C 0.113 177.358 177.300 -0.092 0.000 1.177 177 P CA 0.091 63.138 63.100 -0.088 0.000 0.773 177 P CB 0.401 32.060 31.700 -0.068 0.000 0.878 178 R N 1.766 122.215 120.500 -0.086 0.000 2.570 178 R HA 0.020 4.360 4.340 -0.000 0.000 0.277 178 R C 0.257 176.489 176.300 -0.115 0.000 1.039 178 R CA 0.207 56.255 56.100 -0.088 0.000 1.065 178 R CB -0.372 29.889 30.300 -0.066 0.000 0.964 178 R HN 0.127 nan 8.270 nan 0.000 0.428 179 D N 0.499 120.808 120.400 -0.150 0.000 2.723 179 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 179 D C -0.171 176.003 176.300 -0.209 0.000 1.138 179 D CA 1.738 55.621 54.000 -0.195 0.000 0.676 179 D CB -0.992 39.735 40.800 -0.122 0.000 1.069 179 D HN 0.744 nan 8.370 nan 0.000 0.430 180 T N -3.941 110.483 114.554 -0.217 0.000 2.907 180 T HA 0.763 5.113 4.350 -0.000 0.000 0.290 180 T C -0.008 174.611 174.700 -0.135 0.000 1.066 180 T CA -0.452 61.556 62.100 -0.152 0.000 1.012 180 T CB 3.601 72.411 68.868 -0.097 0.000 1.184 180 T HN 0.043 nan 8.240 nan 0.000 0.522 181 T N -0.021 114.544 114.554 0.018 0.000 2.711 181 T HA 0.689 5.039 4.350 -0.000 0.000 0.302 181 T C -1.037 173.815 174.700 0.252 0.000 1.373 181 T CA -0.221 61.958 62.100 0.132 0.000 1.000 181 T CB 1.356 70.360 68.868 0.226 0.000 1.483 181 T HN 1.243 nan 8.240 nan 0.000 0.499 182 T N 0.453 115.154 114.554 0.246 0.000 2.929 182 T HA 0.575 4.925 4.350 -0.000 0.000 0.284 182 T C -2.133 172.708 174.700 0.236 0.000 1.014 182 T CA -1.746 60.520 62.100 0.277 0.000 1.051 182 T CB 1.328 70.300 68.868 0.173 0.000 1.028 182 T HN 0.265 nan 8.240 nan 0.000 0.485 183 P HA -0.066 nan 4.420 nan 0.000 0.215 183 P C 1.682 178.972 177.300 -0.016 0.000 1.153 183 P CA 0.788 63.865 63.100 -0.039 0.000 0.853 183 P CB 0.078 31.719 31.700 -0.099 0.000 0.788 184 R N -0.056 120.465 120.500 0.034 0.000 2.083 184 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 184 R C 2.067 178.384 176.300 0.028 0.000 1.137 184 R CA 1.931 58.044 56.100 0.023 0.000 0.951 184 R CB -0.904 29.417 30.300 0.034 0.000 0.851 184 R HN 0.071 nan 8.270 nan 0.000 0.434 185 A N 0.615 123.472 122.820 0.062 0.000 1.902 185 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 185 A C 2.072 179.700 177.584 0.073 0.000 1.181 185 A CA 1.519 53.599 52.037 0.072 0.000 0.623 185 A CB -0.452 18.613 19.000 0.109 0.000 0.818 185 A HN 0.399 nan 8.150 nan 0.000 0.443 186 M N 0.052 119.706 119.600 0.091 0.000 2.175 186 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 186 M C 2.137 178.441 176.300 0.007 0.000 1.063 186 M CA 1.457 56.807 55.300 0.084 0.000 1.119 186 M CB -0.615 32.051 32.600 0.109 0.000 1.377 186 M HN 0.391 nan 8.290 nan 0.000 0.415 187 A N -0.899 121.901 122.820 -0.033 0.000 1.898 187 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 187 A C 2.067 179.629 177.584 -0.036 0.000 1.181 187 A CA 1.870 53.875 52.037 -0.054 0.000 0.620 187 A CB -0.830 18.130 19.000 -0.067 0.000 0.819 187 A HN 0.559 nan 8.150 nan 0.000 0.442 188 Q N -0.294 119.494 119.800 -0.020 0.000 2.084 188 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 188 Q C 2.003 177.990 176.000 -0.023 0.000 0.978 188 Q CA 2.587 58.377 55.803 -0.021 0.000 0.844 188 Q CB -0.975 27.757 28.738 -0.010 0.000 0.898 188 Q HN 0.530 nan 8.270 nan 0.000 0.426 189 T N 0.761 115.308 114.554 -0.013 0.000 2.777 189 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 189 T C 1.551 176.243 174.700 -0.013 0.000 1.040 189 T CA 1.171 63.258 62.100 -0.022 0.000 1.141 189 T CB -0.362 68.496 68.868 -0.018 0.000 0.868 189 T HN 0.245 nan 8.240 nan 0.000 0.444 190 L N 1.399 122.619 121.223 -0.006 0.000 2.083 190 L HA 0.030 4.370 4.340 -0.000 0.000 0.209 190 L C 2.481 179.334 176.870 -0.029 0.000 1.083 190 L CA 1.687 56.524 54.840 -0.005 0.000 0.752 190 L CB -0.520 41.532 42.059 -0.012 0.000 0.899 190 L HN 0.091 nan 8.230 nan 0.000 0.433 191 R N -1.267 119.204 120.500 -0.047 0.000 2.073 191 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 191 R C 2.189 178.456 176.300 -0.055 0.000 1.134 191 R CA 1.491 57.552 56.100 -0.065 0.000 0.952 191 R CB -0.187 30.074 30.300 -0.066 0.000 0.850 191 R HN 0.426 nan 8.270 nan 0.000 0.433 192 Q N 0.557 120.332 119.800 -0.042 0.000 2.135 192 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 192 Q C 2.255 178.235 176.000 -0.033 0.000 0.981 192 Q CA 1.372 57.150 55.803 -0.041 0.000 0.856 192 Q CB -0.173 28.542 28.738 -0.038 0.000 0.902 192 Q HN 0.448 nan 8.270 nan 0.000 0.425 193 L N 0.108 121.327 121.223 -0.005 0.000 2.072 193 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 193 L C 2.426 179.307 176.870 0.019 0.000 1.079 193 L CA 1.695 56.556 54.840 0.034 0.000 0.752 193 L CB -0.514 41.590 42.059 0.075 0.000 0.906 193 L HN 0.309 nan 8.230 nan 0.000 0.436 194 T N -3.935 110.622 114.554 0.006 0.000 3.037 194 T HA 0.152 4.502 4.350 -0.000 0.000 0.252 194 T C 1.490 176.194 174.700 0.006 0.000 1.073 194 T CA 0.218 62.333 62.100 0.025 0.000 1.091 194 T CB 0.218 69.109 68.868 0.040 0.000 0.935 194 T HN 0.193 nan 8.240 nan 0.000 0.488 195 L N -0.343 120.849 121.223 -0.053 0.000 2.948 195 L HA 0.504 4.843 4.340 -0.000 0.000 0.259 195 L C 1.680 178.444 176.870 -0.177 0.000 1.136 195 L CA -0.110 54.686 54.840 -0.074 0.000 0.959 195 L CB 0.266 42.279 42.059 -0.075 0.000 1.370 195 L HN 0.382 nan 8.230 nan 0.000 0.552 196 G N -1.363 107.313 108.800 -0.206 0.000 2.849 196 G HA2 0.228 4.188 3.960 -0.000 0.000 0.174 196 G HA3 0.228 4.188 3.960 -0.000 0.000 0.174 196 G C -0.054 174.495 174.900 -0.586 0.000 1.370 196 G CA -0.230 44.676 45.100 -0.323 0.000 1.040 196 G HN 0.189 nan 8.290 nan 0.000 0.582 197 H N -0.164 118.912 119.070 0.010 0.000 2.492 197 H HA 0.361 4.917 4.556 -0.000 0.000 0.264 197 H C 1.703 177.042 175.328 0.017 0.000 1.150 197 H CA 0.240 56.296 56.048 0.014 0.000 0.962 197 H CB 0.620 30.386 29.762 0.008 0.000 1.766 197 H HN 0.428 nan 8.280 nan 0.000 0.589 198 A N 0.733 123.587 122.820 0.058 0.000 1.969 198 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 198 A C 1.105 178.757 177.584 0.113 0.000 1.169 198 A CA 0.809 52.879 52.037 0.056 0.000 0.635 198 A CB 0.048 19.058 19.000 0.017 0.000 0.810 198 A HN 0.215 nan 8.150 nan 0.000 0.445 199 L N -1.737 119.549 121.223 0.105 0.000 2.322 199 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 199 L C 0.930 177.852 176.870 0.087 0.000 1.012 199 L CA -0.957 53.948 54.840 0.108 0.000 0.815 199 L CB 1.451 43.563 42.059 0.090 0.000 1.295 199 L HN 0.241 nan 8.230 nan 0.000 0.438 200 G N -0.121 108.722 108.800 0.072 0.000 2.614 200 G HA2 0.040 3.999 3.960 -0.000 0.000 0.239 200 G HA3 0.040 3.999 3.960 -0.000 0.000 0.239 200 G C 0.660 175.587 174.900 0.045 0.000 1.240 200 G CA -0.089 45.048 45.100 0.062 0.000 0.842 200 G HN 0.804 nan 8.290 nan 0.000 0.584 201 E N 0.292 120.522 120.200 0.051 0.000 2.070 201 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 201 E C 2.477 179.072 176.600 -0.009 0.000 1.004 201 E CA 2.387 58.805 56.400 0.030 0.000 0.805 201 E CB -0.641 29.082 29.700 0.039 0.000 0.744 201 E HN 0.430 nan 8.360 nan 0.000 0.451 202 T N 0.326 114.868 114.554 -0.019 0.000 2.788 202 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 202 T C 1.722 176.373 174.700 -0.081 0.000 1.044 202 T CA 1.582 63.651 62.100 -0.051 0.000 1.139 202 T CB -0.250 68.591 68.868 -0.045 0.000 0.867 202 T HN 0.207 nan 8.240 nan 0.000 0.454 203 Q N 0.535 120.302 119.800 -0.055 0.000 2.123 203 Q HA 0.086 4.426 4.340 -0.000 0.000 0.199 203 Q C 2.331 178.291 176.000 -0.067 0.000 0.966 203 Q CA 1.017 56.780 55.803 -0.068 0.000 0.845 203 Q CB -0.229 28.498 28.738 -0.018 0.000 0.907 203 Q HN 0.411 nan 8.270 nan 0.000 0.439 204 R N 0.247 120.728 120.500 -0.031 0.000 2.073 204 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 204 R C 2.027 178.300 176.300 -0.045 0.000 1.134 204 R CA 1.445 57.533 56.100 -0.020 0.000 0.952 204 R CB -0.356 29.933 30.300 -0.019 0.000 0.850 204 R HN 0.282 nan 8.270 nan 0.000 0.433 205 A N 0.541 123.319 122.820 -0.070 0.000 1.902 205 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 205 A C 2.079 179.557 177.584 -0.177 0.000 1.181 205 A CA 1.659 53.639 52.037 -0.096 0.000 0.623 205 A CB -0.597 18.346 19.000 -0.094 0.000 0.818 205 A HN 0.492 nan 8.150 nan 0.000 0.443 206 Q N -0.576 119.063 119.800 -0.268 0.000 2.084 206 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 206 Q C 1.848 177.504 176.000 -0.573 0.000 0.978 206 Q CA 1.771 57.246 55.803 -0.547 0.000 0.844 206 Q CB -0.524 27.808 28.738 -0.677 0.000 0.898 206 Q HN 0.510 nan 8.270 nan 0.000 0.426 207 L N -0.601 120.477 121.223 -0.241 0.000 2.017 207 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 207 L C 2.097 179.022 176.870 0.091 0.000 1.073 207 L CA 1.585 56.448 54.840 0.039 0.000 0.745 207 L CB -0.740 41.378 42.059 0.098 0.000 0.894 207 L HN 0.166 nan 8.230 nan 0.000 0.432 208 V N -0.774 119.164 119.914 0.039 0.000 2.343 208 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 208 V C 2.478 178.611 176.094 0.065 0.000 1.051 208 V CA 2.159 64.521 62.300 0.104 0.000 1.036 208 V CB -0.986 30.908 31.823 0.118 0.000 0.654 208 V HN 0.545 nan 8.190 nan 0.000 0.451 209 T N -1.230 113.297 114.554 -0.046 0.000 2.720 209 T HA -0.218 4.131 4.350 -0.000 0.000 0.268 209 T C 1.583 176.334 174.700 0.085 0.000 1.037 209 T CA 1.682 63.749 62.100 -0.055 0.000 1.144 209 T CB -0.315 68.445 68.868 -0.180 0.000 0.864 209 T HN 0.504 nan 8.240 nan 0.000 0.444 210 W N 1.377 122.695 121.300 0.030 0.000 2.355 210 W HA 0.095 4.755 4.660 0.000 0.000 0.309 210 W C 2.148 178.687 176.519 0.035 0.000 1.206 210 W CA 0.215 57.579 57.345 0.032 0.000 1.284 210 W CB -1.357 28.124 29.460 0.035 0.000 1.145 210 W HN 0.278 nan 8.180 nan 0.000 0.502 211 L N 0.213 121.608 121.223 0.286 0.000 2.042 211 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 211 L C 2.349 179.312 176.870 0.155 0.000 1.076 211 L CA 1.506 56.462 54.840 0.193 0.000 0.749 211 L CB -0.885 41.286 42.059 0.186 0.000 0.893 211 L HN -0.081 nan 8.230 nan 0.000 0.432 212 K N -0.176 120.315 120.400 0.152 0.000 2.280 212 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 212 K C 1.752 178.402 176.600 0.083 0.000 1.047 212 K CA 1.031 57.387 56.287 0.115 0.000 0.942 212 K CB -0.234 32.304 32.500 0.064 0.000 0.739 212 K HN 0.384 nan 8.250 nan 0.000 0.457 213 G N 0.917 109.775 108.800 0.097 0.000 3.141 213 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 213 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 213 G C 0.119 175.025 174.900 0.009 0.000 1.170 213 G CA -0.423 44.718 45.100 0.068 0.000 0.769 213 G HN 0.156 nan 8.290 nan 0.000 0.546 214 N N 0.990 119.699 118.700 0.014 0.000 2.407 214 N HA 0.028 4.768 4.740 -0.000 0.000 0.250 214 N C 1.714 177.166 175.510 -0.096 0.000 1.236 214 N CA 1.022 54.042 53.050 -0.050 0.000 0.879 214 N CB 1.090 39.578 38.487 0.001 0.000 1.088 214 N HN 0.057 nan 8.380 nan 0.000 0.450 215 T N -2.059 112.374 114.554 -0.201 0.000 3.044 215 T HA -0.006 4.344 4.350 -0.000 0.000 0.250 215 T C 1.254 175.906 174.700 -0.080 0.000 1.081 215 T CA 0.789 62.786 62.100 -0.173 0.000 1.040 215 T CB -0.442 68.230 68.868 -0.327 0.000 0.962 215 T HN 0.562 nan 8.240 nan 0.000 0.506 216 T N -1.982 112.537 114.554 -0.059 0.000 3.105 216 T HA 0.414 4.764 4.350 -0.000 0.000 0.253 216 T C 1.699 176.400 174.700 0.002 0.000 1.047 216 T CA 0.245 62.338 62.100 -0.012 0.000 0.944 216 T CB 0.069 68.939 68.868 0.003 0.000 1.016 216 T HN 0.360 nan 8.240 nan 0.000 0.544 217 G N 0.221 109.022 108.800 0.003 0.000 3.159 217 G HA2 0.474 4.434 3.960 -0.000 0.000 0.232 217 G HA3 0.474 4.434 3.960 -0.000 0.000 0.232 217 G C 1.437 176.344 174.900 0.012 0.000 1.116 217 G CA 0.231 45.340 45.100 0.014 0.000 0.767 217 G HN 0.566 nan 8.290 nan 0.000 0.547 218 A N 0.764 123.589 122.820 0.008 0.000 2.070 218 A HA 0.343 4.663 4.320 -0.000 0.000 0.220 218 A C 2.401 179.983 177.584 -0.003 0.000 1.159 218 A CA 1.879 53.919 52.037 0.005 0.000 0.656 218 A CB -0.158 18.845 19.000 0.005 0.000 0.800 218 A HN 0.649 nan 8.150 nan 0.000 0.453 219 A N -1.328 121.490 122.820 -0.003 0.000 2.308 219 A HA 0.442 4.762 4.320 -0.000 0.000 0.217 219 A C 1.656 179.231 177.584 -0.016 0.000 1.216 219 A CA 0.867 52.898 52.037 -0.011 0.000 0.864 219 A CB -0.044 18.952 19.000 -0.006 0.000 0.902 219 A HN 0.396 nan 8.150 nan 0.000 0.499 220 S N -0.623 115.072 115.700 -0.009 0.000 3.997 220 S HA 0.326 4.796 4.470 -0.000 0.000 0.204 220 S C 1.480 176.068 174.600 -0.020 0.000 1.001 220 S CA -0.050 58.144 58.200 -0.011 0.000 1.662 220 S CB -0.472 62.733 63.200 0.008 0.000 0.765 220 S HN 0.288 nan 8.310 nan 0.000 0.681 221 I N 1.515 122.078 120.570 -0.012 0.000 2.145 221 I HA -0.249 3.921 4.170 -0.000 0.000 0.244 221 I C 2.729 178.837 176.117 -0.014 0.000 1.075 221 I CA 1.416 62.706 61.300 -0.017 0.000 1.332 221 I CB -0.271 37.726 38.000 -0.005 0.000 1.033 221 I HN 0.303 nan 8.210 nan 0.000 0.410 222 R N 1.362 121.864 120.500 0.002 0.000 2.117 222 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 222 R C 2.101 178.383 176.300 -0.029 0.000 1.143 222 R CA 1.777 57.880 56.100 0.005 0.000 0.968 222 R CB -0.690 29.624 30.300 0.023 0.000 0.863 222 R HN 0.416 nan 8.270 nan 0.000 0.444 223 A N -1.068 121.730 122.820 -0.036 0.000 2.121 223 A HA 0.038 4.357 4.320 -0.000 0.000 0.218 223 A C 1.930 179.467 177.584 -0.079 0.000 1.154 223 A CA 1.364 53.370 52.037 -0.052 0.000 0.679 223 A CB -0.613 18.360 19.000 -0.044 0.000 0.795 223 A HN 0.477 nan 8.150 nan 0.000 0.458 224 G N -1.126 107.621 108.800 -0.088 0.000 3.088 224 G HA2 0.431 4.391 3.960 -0.000 0.000 0.217 224 G HA3 0.431 4.391 3.960 -0.000 0.000 0.217 224 G C 0.309 175.100 174.900 -0.182 0.000 1.159 224 G CA -0.240 44.790 45.100 -0.117 0.000 0.760 224 G HN 0.350 nan 8.290 nan 0.000 0.550 225 L N 0.528 121.628 121.223 -0.206 0.000 2.334 225 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 225 L C -2.281 174.298 176.870 -0.485 0.000 1.020 225 L CA -2.277 52.326 54.840 -0.395 0.000 0.812 225 L CB 1.778 43.709 42.059 -0.214 0.000 1.264 225 L HN -0.196 nan 8.230 nan 0.000 0.439 226 P HA 0.019 nan 4.420 nan 0.000 0.266 226 P C 0.511 177.589 177.300 -0.370 0.000 1.195 226 P CA 0.068 62.781 63.100 -0.646 0.000 0.768 226 P CB 0.550 31.676 31.700 -0.957 0.000 0.838 227 T N 0.354 114.808 114.554 -0.166 0.000 2.759 227 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 227 T C 1.767 176.496 174.700 0.049 0.000 1.042 227 T CA 2.027 64.101 62.100 -0.044 0.000 1.140 227 T CB -0.662 68.190 68.868 -0.027 0.000 0.864 227 T HN 0.602 nan 8.240 nan 0.000 0.455 228 S N -0.381 115.374 115.700 0.092 0.000 2.442 228 S HA -0.077 4.392 4.470 -0.000 0.000 0.236 228 S C 0.456 175.271 174.600 0.358 0.000 1.007 228 S CA 0.102 58.427 58.200 0.208 0.000 0.965 228 S CB -0.609 62.731 63.200 0.233 0.000 0.773 228 S HN 0.443 nan 8.310 nan 0.000 0.504 229 W N 3.247 124.573 121.300 0.045 0.000 2.150 229 W HA 0.515 5.174 4.660 -0.000 0.000 0.341 229 W C 0.902 177.477 176.519 0.093 0.000 1.276 229 W CA -0.913 56.476 57.345 0.073 0.000 1.238 229 W CB -0.213 29.284 29.460 0.062 0.000 1.128 229 W HN 0.202 nan 8.180 nan 0.000 0.581 230 T N -0.570 114.196 114.554 0.354 0.000 2.918 230 T HA 0.927 5.277 4.350 -0.000 0.000 0.286 230 T C -0.618 174.334 174.700 0.420 0.000 1.026 230 T CA -0.690 61.584 62.100 0.290 0.000 1.031 230 T CB 2.192 71.156 68.868 0.160 0.000 1.046 230 T HN 0.782 nan 8.240 nan 0.000 0.479 231 A N 0.648 123.680 122.820 0.352 0.000 2.610 231 A HA 0.911 5.231 4.320 -0.000 0.000 0.291 231 A C -0.340 177.427 177.584 0.305 0.000 1.086 231 A CA -0.623 51.635 52.037 0.368 0.000 0.677 231 A CB 1.276 20.410 19.000 0.223 0.000 1.278 231 A HN 1.495 nan 8.150 nan 0.000 0.414 232 G N 0.430 109.407 108.800 0.296 0.000 2.542 232 G HA2 0.677 4.637 3.960 -0.000 0.000 0.311 232 G HA3 0.677 4.637 3.960 -0.000 0.000 0.311 232 G C -1.416 173.565 174.900 0.134 0.000 1.298 232 G CA 0.071 45.299 45.100 0.214 0.000 0.973 232 G HN 1.051 nan 8.290 nan 0.000 0.487 233 D N -0.080 120.382 120.400 0.104 0.000 2.596 233 D HA 0.572 5.211 4.640 -0.000 0.000 0.262 233 D C -1.383 174.961 176.300 0.073 0.000 1.210 233 D CA -0.882 53.163 54.000 0.076 0.000 0.873 233 D CB 2.655 43.490 40.800 0.059 0.000 1.408 233 D HN 0.307 nan 8.370 nan 0.000 0.441 234 K N 0.683 121.126 120.400 0.072 0.000 2.578 234 K HA 0.378 4.698 4.320 -0.000 0.000 0.250 234 K C -0.649 175.999 176.600 0.081 0.000 0.955 234 K CA -0.333 56.000 56.287 0.076 0.000 0.825 234 K CB 1.403 33.959 32.500 0.092 0.000 1.151 234 K HN 0.591 nan 8.250 nan 0.000 0.432 235 T N -0.061 114.533 114.554 0.066 0.000 2.788 235 T HA 0.825 5.175 4.350 -0.000 0.000 0.280 235 T C 0.412 175.157 174.700 0.075 0.000 0.984 235 T CA -0.472 61.669 62.100 0.068 0.000 0.972 235 T CB 1.436 70.330 68.868 0.042 0.000 1.039 235 T HN 0.595 nan 8.240 nan 0.000 0.530 236 G N -0.485 108.358 108.800 0.073 0.000 2.720 236 G HA2 0.587 4.547 3.960 -0.000 0.000 0.295 236 G HA3 0.587 4.547 3.960 -0.000 0.000 0.295 236 G C -1.060 173.861 174.900 0.035 0.000 1.437 236 G CA -0.460 44.671 45.100 0.051 0.000 0.886 236 G HN 1.346 nan 8.290 nan 0.000 0.509 237 S N -0.718 114.986 115.700 0.007 0.000 2.570 237 S HA 0.954 5.424 4.470 -0.000 0.000 0.270 237 S C -0.221 174.376 174.600 -0.006 0.000 1.149 237 S CA 0.041 58.244 58.200 0.005 0.000 0.837 237 S CB 1.894 65.087 63.200 -0.012 0.000 1.124 237 S HN 2.305 nan 8.310 nan 0.000 0.465 241 Y N 0.653 120.928 120.300 -0.041 0.000 3.825 241 Y HA -0.127 4.422 4.550 -0.002 0.000 0.221 241 Y C 1.290 177.151 175.900 -0.064 0.000 1.195 241 Y CA 1.444 59.510 58.100 -0.057 0.000 1.699 241 Y CB -1.704 36.711 38.460 -0.075 0.000 1.531 241 Y HN 0.808 nan 8.280 nan 0.000 0.640 242 G N -0.054 108.760 108.800 0.023 0.000 2.321 242 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.287 242 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.287 242 G C 0.227 175.165 174.900 0.063 0.000 1.018 242 G CA 0.529 45.653 45.100 0.040 0.000 0.855 242 G HN 0.561 nan 8.290 nan 0.000 0.507 243 T N 1.357 115.946 114.554 0.058 0.000 2.817 243 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 243 T C 0.484 175.244 174.700 0.100 0.000 0.958 243 T CA 1.063 63.200 62.100 0.060 0.000 1.157 243 T CB 0.820 69.711 68.868 0.039 0.000 0.898 243 T HN 0.329 nan 8.240 nan 0.000 0.536 244 T N 5.598 120.260 114.554 0.180 0.000 2.965 244 T HA 0.444 4.793 4.350 -0.000 0.000 0.306 244 T C -0.420 174.406 174.700 0.209 0.000 0.991 244 T CA -0.991 61.222 62.100 0.190 0.000 1.001 244 T CB 0.766 69.781 68.868 0.246 0.000 0.984 244 T HN 0.425 nan 8.240 nan 0.000 0.446 245 N N 1.995 120.793 118.700 0.164 0.000 2.380 245 N HA 0.761 5.501 4.740 -0.000 0.000 0.290 245 N C -1.454 174.163 175.510 0.178 0.000 1.236 245 N CA -0.694 52.500 53.050 0.241 0.000 0.780 245 N CB 2.266 40.917 38.487 0.273 0.000 1.438 245 N HN 0.595 nan 8.380 nan 0.000 0.491 246 D N 0.114 120.617 120.400 0.172 0.000 2.836 246 D HA 0.450 5.090 4.640 -0.000 0.000 0.215 246 D C -1.325 174.992 176.300 0.029 0.000 1.255 246 D CA -0.481 53.573 54.000 0.090 0.000 0.822 246 D CB 1.380 42.207 40.800 0.045 0.000 1.656 246 D HN 0.496 nan 8.370 nan 0.000 0.511 247 I N -0.240 120.350 120.570 0.034 0.000 2.582 247 I HA 0.996 5.166 4.170 -0.000 0.000 0.292 247 I C -1.217 174.902 176.117 0.002 0.000 1.066 247 I CA -0.814 60.475 61.300 -0.018 0.000 1.053 247 I CB 2.016 40.015 38.000 -0.002 0.000 1.241 247 I HN 0.432 nan 8.210 nan 0.000 0.421 248 A N 4.892 127.696 122.820 -0.027 0.000 2.572 248 A HA 0.818 5.138 4.320 -0.000 0.000 0.295 248 A C -1.426 176.114 177.584 -0.074 0.000 1.072 248 A CA -0.655 51.371 52.037 -0.017 0.000 0.691 248 A CB 2.068 21.070 19.000 0.003 0.000 1.291 248 A HN 0.578 nan 8.150 nan 0.000 0.404 249 V N 2.004 121.858 119.914 -0.099 0.000 2.417 249 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 249 V C -0.514 175.339 176.094 -0.403 0.000 1.024 249 V CA -0.123 61.992 62.300 -0.308 0.000 0.861 249 V CB 1.043 32.660 31.823 -0.343 0.000 0.985 249 V HN 0.675 nan 8.190 nan 0.000 0.436 250 I N 3.551 123.814 120.570 -0.511 0.000 2.569 250 I HA 0.447 4.617 4.170 -0.000 0.000 0.296 250 I C -0.879 174.940 176.117 -0.497 0.000 1.028 250 I CA -0.394 60.739 61.300 -0.278 0.000 1.082 250 I CB 2.360 40.337 38.000 -0.039 0.000 1.264 250 I HN 0.526 nan 8.210 nan 0.000 0.429 251 W N 6.520 127.779 121.300 -0.068 0.000 2.394 251 W HA 0.345 5.005 4.660 -0.000 0.000 0.312 251 W C -2.611 173.707 176.519 -0.335 0.000 0.981 251 W CA -1.557 55.690 57.345 -0.164 0.000 1.519 251 W CB 1.288 30.691 29.460 -0.095 0.000 1.304 251 W HN 0.157 nan 8.180 nan 0.000 0.412 255 G N 3.103 111.858 108.800 -0.076 0.000 2.168 255 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 255 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 255 G C -0.195 174.663 174.900 -0.070 0.000 0.997 255 G CA 1.153 46.223 45.100 -0.051 0.000 0.708 255 G HN 0.669 nan 8.290 nan 0.000 0.520 256 R N -1.814 118.619 120.500 -0.112 0.000 2.781 256 R HA 0.830 5.169 4.340 -0.000 0.000 0.269 256 R C 0.200 176.438 176.300 -0.103 0.000 1.025 256 R CA -0.514 55.520 56.100 -0.110 0.000 0.914 256 R CB 0.471 30.684 30.300 -0.145 0.000 1.236 256 R HN 1.074 nan 8.270 nan 0.000 0.465 257 A N 1.706 124.472 122.820 -0.090 0.000 2.466 257 A HA 0.397 4.717 4.320 -0.000 0.000 0.238 257 A C -1.996 175.484 177.584 -0.172 0.000 1.074 257 A CA -1.124 50.863 52.037 -0.082 0.000 0.774 257 A CB -0.441 18.517 19.000 -0.069 0.000 1.015 257 A HN 0.593 nan 8.150 nan 0.000 0.498 258 P HA 0.337 nan 4.420 nan 0.000 0.272 258 P C -0.822 176.257 177.300 -0.369 0.000 1.230 258 P CA 0.114 62.924 63.100 -0.484 0.000 0.788 258 P CB 0.458 31.649 31.700 -0.848 0.000 0.949 259 L N 0.328 121.316 121.223 -0.393 0.000 2.322 259 L HA 0.637 4.977 4.340 -0.000 0.000 0.269 259 L C -0.170 176.540 176.870 -0.267 0.000 1.012 259 L CA -1.304 53.383 54.840 -0.254 0.000 0.815 259 L CB 1.877 43.834 42.059 -0.168 0.000 1.295 259 L HN 0.042 nan 8.230 nan 0.000 0.438 260 V N 2.629 122.434 119.914 -0.181 0.000 2.487 260 V HA 0.516 4.636 4.120 -0.000 0.000 0.298 260 V C -0.803 175.224 176.094 -0.112 0.000 1.028 260 V CA -0.472 61.734 62.300 -0.156 0.000 0.860 260 V CB 2.125 33.868 31.823 -0.134 0.000 0.991 260 V HN 0.448 nan 8.190 nan 0.000 0.427 261 L N 6.138 127.300 121.223 -0.102 0.000 2.410 261 L HA 0.790 5.130 4.340 -0.000 0.000 0.270 261 L C -0.943 175.855 176.870 -0.121 0.000 0.983 261 L CA -0.164 54.621 54.840 -0.092 0.000 0.822 261 L CB 2.158 44.182 42.059 -0.059 0.000 1.285 261 L HN 0.420 nan 8.230 nan 0.000 0.409 262 V N 3.088 122.898 119.914 -0.173 0.000 2.495 262 V HA 0.726 4.846 4.120 -0.000 0.000 0.298 262 V C -0.322 175.582 176.094 -0.317 0.000 1.031 262 V CA -0.246 61.872 62.300 -0.303 0.000 0.871 262 V CB 2.054 33.619 31.823 -0.431 0.000 0.988 262 V HN 0.865 nan 8.190 nan 0.000 0.432 263 T N 1.672 116.044 114.554 -0.303 0.000 2.906 263 T HA 0.669 5.019 4.350 -0.000 0.000 0.302 263 T C -1.240 173.413 174.700 -0.078 0.000 1.002 263 T CA -0.593 61.396 62.100 -0.186 0.000 0.988 263 T CB 0.747 69.565 68.868 -0.083 0.000 0.972 263 T HN 0.273 nan 8.240 nan 0.000 0.447 264 Y N 2.404 122.573 120.300 -0.218 0.000 2.409 264 Y HA 0.808 5.358 4.550 0.001 0.000 0.339 264 Y C -0.689 175.160 175.900 -0.085 0.000 1.033 264 Y CA -2.378 55.564 58.100 -0.263 0.000 1.094 264 Y CB 1.946 39.987 38.460 -0.698 0.000 1.210 264 Y HN 0.818 nan 8.280 nan 0.000 0.456 265 F N 1.318 121.331 119.950 0.105 0.000 2.588 265 F HA 0.591 5.118 4.527 0.001 0.000 0.314 265 F C -0.934 174.985 175.800 0.198 0.000 1.134 265 F CA -0.423 57.674 58.000 0.161 0.000 0.961 265 F CB 2.021 41.079 39.000 0.097 0.000 1.239 265 F HN 0.397 nan 8.300 nan 0.000 0.448 266 T N 4.609 118.886 114.554 -0.462 0.000 2.894 266 T HA 0.570 4.920 4.350 -0.000 0.000 0.309 266 T C -1.491 172.878 174.700 -0.552 0.000 1.208 266 T CA -0.361 61.520 62.100 -0.363 0.000 1.016 266 T CB 1.773 70.598 68.868 -0.071 0.000 1.192 266 T HN 0.751 nan 8.240 nan 0.000 0.491 267 Q N 2.070 121.700 119.800 -0.284 0.000 2.445 267 Q HA 0.409 4.749 4.340 -0.000 0.000 0.281 267 Q C -1.900 174.118 176.000 0.030 0.000 1.101 267 Q CA -2.229 53.469 55.803 -0.175 0.000 0.833 267 Q CB 1.959 30.627 28.738 -0.116 0.000 1.416 267 Q HN 0.319 nan 8.270 nan 0.000 0.451 268 P HA -0.146 nan 4.420 nan 0.000 0.219 268 P C -0.461 176.956 177.300 0.195 0.000 1.150 268 P CA 1.133 64.292 63.100 0.098 0.000 0.814 268 P CB 0.289 32.016 31.700 0.046 0.000 0.787 269 Q N 0.240 120.096 119.800 0.093 0.000 2.256 269 Q HA 0.135 4.475 4.340 -0.000 0.000 0.254 269 Q C 0.915 176.740 176.000 -0.292 0.000 0.916 269 Q CA -0.355 55.430 55.803 -0.030 0.000 0.932 269 Q CB 1.322 30.034 28.738 -0.043 0.000 1.207 269 Q HN 0.172 nan 8.270 nan 0.000 0.426 270 Q N 2.672 122.080 119.800 -0.654 0.000 2.152 270 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 270 Q C 0.545 176.211 176.000 -0.556 0.000 0.985 270 Q CA 2.225 57.307 55.803 -1.201 0.000 0.863 270 Q CB 0.212 28.447 28.738 -0.839 0.000 0.904 270 Q HN 0.825 nan 8.270 nan 0.000 0.422 271 N N -0.481 118.041 118.700 -0.297 0.000 2.279 271 N HA 0.161 4.900 4.740 -0.000 0.000 0.226 271 N C -0.600 174.849 175.510 -0.102 0.000 1.126 271 N CA 0.414 53.364 53.050 -0.166 0.000 0.846 271 N CB 0.013 38.430 38.487 -0.116 0.000 1.050 271 N HN 0.202 nan 8.380 nan 0.000 0.502 272 A N 0.969 123.730 122.820 -0.098 0.000 2.507 272 A HA 0.167 4.487 4.320 -0.000 0.000 0.235 272 A C 0.659 178.241 177.584 -0.004 0.000 1.070 272 A CA -0.408 51.611 52.037 -0.029 0.000 0.768 272 A CB -0.038 18.960 19.000 -0.004 0.000 1.011 272 A HN 0.630 nan 8.150 nan 0.000 0.502 273 E N 1.298 121.512 120.200 0.023 0.000 2.374 273 E HA 0.405 4.754 4.350 -0.000 0.000 0.260 273 E C 0.076 176.716 176.600 0.066 0.000 1.101 273 E CA -0.078 56.342 56.400 0.033 0.000 0.907 273 E CB 0.589 30.309 29.700 0.033 0.000 1.014 273 E HN 0.654 nan 8.360 nan 0.000 0.427 274 S N 2.276 118.010 115.700 0.057 0.000 2.572 274 S HA 0.198 4.667 4.470 -0.000 0.000 0.279 274 S C 0.192 174.850 174.600 0.096 0.000 1.341 274 S CA -0.800 57.450 58.200 0.082 0.000 1.043 274 S CB 0.703 63.931 63.200 0.047 0.000 0.887 274 S HN 0.546 nan 8.310 nan 0.000 0.516 275 R N 1.526 122.107 120.500 0.134 0.000 2.738 275 R HA 0.268 4.608 4.340 -0.000 0.000 0.280 275 R C 0.730 177.022 176.300 -0.012 0.000 1.456 275 R CA -0.224 55.915 56.100 0.064 0.000 1.612 275 R CB 0.076 30.433 30.300 0.095 0.000 1.286 275 R HN 0.758 nan 8.270 nan 0.000 0.660 276 R N 0.700 121.201 120.500 0.002 0.000 2.159 276 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 276 R C 1.406 177.670 176.300 -0.060 0.000 1.131 276 R CA 1.872 57.963 56.100 -0.016 0.000 0.982 276 R CB 0.116 30.415 30.300 -0.003 0.000 0.868 276 R HN 0.443 nan 8.270 nan 0.000 0.453 277 D N 0.319 120.677 120.400 -0.071 0.000 2.178 277 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 277 D C 1.680 177.895 176.300 -0.143 0.000 0.980 277 D CA 1.019 54.965 54.000 -0.090 0.000 0.842 277 D CB -0.239 40.516 40.800 -0.075 0.000 0.948 277 D HN 0.093 nan 8.370 nan 0.000 0.472 278 V N 1.248 121.027 119.914 -0.225 0.000 2.427 278 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 278 V C 2.805 178.744 176.094 -0.259 0.000 1.051 278 V CA 1.018 63.110 62.300 -0.346 0.000 1.048 278 V CB -0.472 30.895 31.823 -0.760 0.000 0.666 278 V HN 0.220 nan 8.190 nan 0.000 0.456 279 L N 0.140 121.251 121.223 -0.186 0.000 2.056 279 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 279 L C 2.792 179.605 176.870 -0.095 0.000 1.078 279 L CA 1.547 56.321 54.840 -0.109 0.000 0.749 279 L CB -0.981 41.050 42.059 -0.047 0.000 0.901 279 L HN 0.351 nan 8.230 nan 0.000 0.433 280 A N -0.181 122.585 122.820 -0.090 0.000 1.908 280 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 280 A C 2.536 180.063 177.584 -0.095 0.000 1.181 280 A CA 2.190 54.178 52.037 -0.081 0.000 0.627 280 A CB -0.641 18.316 19.000 -0.072 0.000 0.818 280 A HN 0.375 nan 8.150 nan 0.000 0.445 281 S N -0.250 115.383 115.700 -0.111 0.000 2.368 281 S HA -0.029 4.441 4.470 -0.000 0.000 0.225 281 S C 2.301 176.833 174.600 -0.114 0.000 1.030 281 S CA 1.161 59.294 58.200 -0.113 0.000 0.999 281 S CB -0.457 62.668 63.200 -0.126 0.000 0.844 281 S HN 0.802 nan 8.310 nan 0.000 0.459 282 A N 1.617 124.362 122.820 -0.125 0.000 1.902 282 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 282 A C 2.365 179.897 177.584 -0.087 0.000 1.181 282 A CA 1.710 53.677 52.037 -0.116 0.000 0.623 282 A CB -1.113 17.815 19.000 -0.121 0.000 0.818 282 A HN 0.515 nan 8.150 nan 0.000 0.443 283 A N -0.427 122.347 122.820 -0.078 0.000 1.933 283 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 283 A C 2.239 179.782 177.584 -0.069 0.000 1.175 283 A CA 1.777 53.779 52.037 -0.058 0.000 0.628 283 A CB -0.483 18.486 19.000 -0.052 0.000 0.814 283 A HN 0.558 nan 8.150 nan 0.000 0.444 284 R N -0.377 120.069 120.500 -0.090 0.000 2.081 284 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 284 R C 1.919 178.171 176.300 -0.080 0.000 1.131 284 R CA 1.653 57.691 56.100 -0.103 0.000 0.960 284 R CB -0.390 29.849 30.300 -0.102 0.000 0.856 284 R HN 0.549 nan 8.270 nan 0.000 0.436 285 I N 0.646 121.173 120.570 -0.072 0.000 2.226 285 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 285 I C 2.046 178.142 176.117 -0.035 0.000 1.100 285 I CA 0.916 62.181 61.300 -0.058 0.000 1.374 285 I CB -0.184 37.772 38.000 -0.073 0.000 1.057 285 I HN 0.226 nan 8.210 nan 0.000 0.413 286 I N 0.907 121.461 120.570 -0.028 0.000 2.179 286 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 286 I C 2.838 178.980 176.117 0.042 0.000 1.088 286 I CA 1.763 63.066 61.300 0.005 0.000 1.357 286 I CB -1.519 36.485 38.000 0.008 0.000 1.051 286 I HN 0.188 nan 8.210 nan 0.000 0.409 287 A N 0.360 123.199 122.820 0.030 0.000 1.933 287 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 287 A C 2.195 179.807 177.584 0.048 0.000 1.175 287 A CA 1.500 53.575 52.037 0.063 0.000 0.628 287 A CB -0.613 18.284 19.000 -0.171 0.000 0.814 287 A HN 0.487 nan 8.150 nan 0.000 0.444 288 E N -0.981 119.213 120.200 -0.010 0.000 2.347 288 E HA -0.026 4.323 4.350 -0.000 0.000 0.196 288 E C 1.753 178.363 176.600 0.018 0.000 1.008 288 E CA 0.497 56.893 56.400 -0.006 0.000 0.852 288 E CB -0.132 29.549 29.700 -0.032 0.000 0.783 288 E HN 0.613 nan 8.360 nan 0.000 0.505 289 G N 0.348 109.162 108.800 0.024 0.000 2.986 289 G HA2 0.039 3.999 3.960 -0.000 0.000 0.213 289 G HA3 0.039 3.999 3.960 -0.000 0.000 0.213 289 G C 0.564 175.488 174.900 0.040 0.000 1.156 289 G CA -0.330 44.785 45.100 0.025 0.000 0.763 289 G HN -0.019 nan 8.290 nan 0.000 0.547 290 L N 0.000 121.265 121.223 0.070 0.000 2.949 290 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 290 L CA 0.000 54.887 54.840 0.078 0.000 0.813 290 L CB 0.000 42.148 42.059 0.149 0.000 0.961 290 L HN 0.000 nan 8.230 nan 0.000 0.502