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 2f9q_1_D DATA FIRST_RESID 34 DATA SEQUENCE PPGPLPXXXX XXXXXXXXXN TPYCFDQLRR RFGDVFSLQL AWTPVVVLNG DATA SEQUENCE LAAVREALVT HGEDTADRPP VPITQILGFG PRSQGVFLAR YGPAWREQRR DATA SEQUENCE FSVSTLRNLG LGKKSLEQWV TEEAACLCAA FANHSGRPFR PNGLLDKAVS DATA SEQUENCE NVIASLTCGR RFEYDDPRFL RLLDLAQEGL KEESGFLREV LNAVPVDRHI DATA SEQUENCE PALAGKVLRF QKAFLTQLDE LLTEHRMTWD PAQPPRDLTE AFLAEMEKAK DATA SEQUENCE GNPESSFNDE NLRIVVADLF SAGMVTTSTT LAWGLLLMIL HPDVQRRVQQ DATA SEQUENCE EIDDVIGQVR RPEMGDQAHM PYTTAVIHEV QRFGDIVPLG MTHMTSRDIE DATA SEQUENCE VQGFRIPKGT TLITNLSSVL KDEAVWEKPF RFHPEHFLDA QGHFVKPEAF DATA SEQUENCE LPFSAGRRAC LGEPLARMEL FLFFTSLLQH FSFSVPTGQP RPSHHGVFAF DATA SEQUENCE LVSPSPYELC AVPR 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 34 P HA 0.000 nan 4.420 nan 0.000 0.216 34 P C 0.000 176.998 177.300 -0.503 0.000 1.155 34 P CA 0.000 62.798 63.100 -0.503 0.000 0.800 34 P CB 0.000 31.581 31.700 -0.199 0.000 0.726 35 P HA 0.106 nan 4.420 nan 0.000 0.277 35 P C 0.715 177.749 177.300 -0.444 0.000 1.751 35 P CA 1.902 64.806 63.100 -0.327 0.000 1.526 35 P CB -0.157 31.424 31.700 -0.199 0.000 0.467 36 G N -2.965 105.230 108.800 -1.009 0.000 2.675 36 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 36 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 36 G C -3.069 171.319 174.900 -0.854 0.000 1.215 36 G CA -0.495 43.866 45.100 -1.231 0.000 0.777 36 G HN 0.519 nan 8.290 nan 0.000 0.638 37 P HA 0.666 nan 4.420 nan 0.000 0.279 37 P C -0.251 177.068 177.300 0.032 0.000 1.252 37 P CA -0.486 62.634 63.100 0.034 0.000 0.811 37 P CB 1.235 33.030 31.700 0.158 0.000 1.035 38 L N 2.244 123.516 121.223 0.082 0.000 2.333 38 L HA 0.615 4.954 4.340 -0.000 0.000 0.269 38 L C -1.444 175.470 176.870 0.073 0.000 1.010 38 L CA -1.558 53.319 54.840 0.061 0.000 0.818 38 L CB 0.976 43.062 42.059 0.044 0.000 1.306 38 L HN 0.427 nan 8.230 nan 0.000 0.430 54 T N -2.480 112.088 114.554 0.024 0.000 3.044 54 T HA 0.269 4.619 4.350 -0.000 0.000 0.255 54 T C -1.492 172.847 174.700 -0.602 0.000 1.073 54 T CA 0.755 62.687 62.100 -0.280 0.000 1.125 54 T CB -0.234 68.487 68.868 -0.244 0.000 0.908 54 T HN 0.340 nan 8.240 nan 0.000 0.480 55 P HA 0.119 nan 4.420 nan 0.000 0.216 55 P C 0.910 178.028 177.300 -0.303 0.000 1.151 55 P CA 0.735 63.541 63.100 -0.490 0.000 0.863 55 P CB -0.347 30.939 31.700 -0.691 0.000 0.790 56 Y N -0.040 120.112 120.300 -0.248 0.000 2.298 56 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 56 Y C 2.950 178.799 175.900 -0.085 0.000 1.164 56 Y CA 1.082 59.102 58.100 -0.134 0.000 1.229 56 Y CB -1.591 36.779 38.460 -0.150 0.000 0.977 56 Y HN 0.122 nan 8.280 nan 0.000 0.538 57 C N -0.149 119.147 119.300 -0.007 0.000 2.496 57 C HA -0.224 4.236 4.460 -0.000 0.000 0.281 57 C C 2.629 177.691 174.990 0.120 0.000 1.250 57 C CA 0.914 59.934 59.018 0.004 0.000 1.717 57 C CB -1.438 26.253 27.740 -0.082 0.000 2.082 57 C HN 0.580 nan 8.230 nan 0.000 0.472 58 F N 0.721 120.715 119.950 0.073 0.000 2.287 58 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 58 F C 2.212 178.076 175.800 0.106 0.000 1.069 58 F CA 1.329 59.419 58.000 0.150 0.000 1.372 58 F CB -0.376 38.754 39.000 0.218 0.000 1.056 58 F HN 0.388 nan 8.300 nan 0.000 0.523 59 D N -0.045 120.498 120.400 0.237 0.000 2.178 59 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 59 D C 2.145 178.508 176.300 0.106 0.000 0.974 59 D CA 1.028 55.119 54.000 0.151 0.000 0.841 59 D CB 0.005 40.860 40.800 0.091 0.000 0.953 59 D HN 0.131 nan 8.370 nan 0.000 0.478 60 Q N -0.100 119.750 119.800 0.084 0.000 2.016 60 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 60 Q C 2.602 178.593 176.000 -0.015 0.000 0.978 60 Q CA 0.770 56.593 55.803 0.032 0.000 0.833 60 Q CB -0.703 28.052 28.738 0.028 0.000 0.895 60 Q HN 0.353 nan 8.270 nan 0.000 0.427 61 L N 0.683 121.871 121.223 -0.058 0.000 2.079 61 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 61 L C 2.673 179.380 176.870 -0.272 0.000 1.081 61 L CA 1.453 56.142 54.840 -0.252 0.000 0.752 61 L CB -0.554 41.084 42.059 -0.701 0.000 0.896 61 L HN 0.185 nan 8.230 nan 0.000 0.433 62 R N 0.874 121.328 120.500 -0.077 0.000 2.080 62 R HA -0.203 4.137 4.340 -0.000 0.000 0.236 62 R C 2.273 178.619 176.300 0.078 0.000 1.137 62 R CA 1.917 58.099 56.100 0.137 0.000 0.943 62 R CB -0.290 30.135 30.300 0.208 0.000 0.846 62 R HN 0.346 nan 8.270 nan 0.000 0.431 63 R N 0.451 120.973 120.500 0.036 0.000 2.325 63 R HA -0.028 4.311 4.340 -0.000 0.000 0.214 63 R C 1.432 177.703 176.300 -0.048 0.000 0.961 63 R CA 0.869 56.976 56.100 0.012 0.000 1.086 63 R CB 0.013 30.325 30.300 0.021 0.000 1.037 63 R HN 0.256 nan 8.270 nan 0.000 0.493 64 R N -1.157 119.285 120.500 -0.096 0.000 2.412 64 R HA 0.169 4.509 4.340 -0.000 0.000 0.212 64 R C 0.224 176.278 176.300 -0.410 0.000 0.878 64 R CA 0.091 56.030 56.100 -0.269 0.000 1.022 64 R CB 0.339 30.432 30.300 -0.346 0.000 1.265 64 R HN 0.224 nan 8.270 nan 0.000 0.620 65 F N 0.401 120.299 119.950 -0.087 0.000 2.798 65 F HA 0.452 4.979 4.527 -0.000 0.000 0.328 65 F C 0.746 176.564 175.800 0.029 0.000 1.098 65 F CA 0.325 58.291 58.000 -0.057 0.000 1.172 65 F CB 1.873 40.789 39.000 -0.140 0.000 1.072 65 F HN 0.311 nan 8.300 nan 0.000 0.555 66 G N 0.800 109.722 108.800 0.203 0.000 2.725 66 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 66 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 66 G C -0.041 175.015 174.900 0.260 0.000 1.357 66 G CA -0.125 45.097 45.100 0.203 0.000 0.866 66 G HN 0.074 nan 8.290 nan 0.000 0.548 67 D N -0.800 119.720 120.400 0.201 0.000 2.103 67 D HA 0.045 4.684 4.640 -0.000 0.000 0.199 67 D C 1.669 178.022 176.300 0.089 0.000 0.978 67 D CA 1.795 55.887 54.000 0.153 0.000 0.829 67 D CB -0.183 40.675 40.800 0.097 0.000 0.981 67 D HN 0.518 nan 8.370 nan 0.000 0.464 68 V N 2.227 122.193 119.914 0.087 0.000 2.432 68 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 68 V C -0.054 175.992 176.094 -0.079 0.000 1.043 68 V CA -0.549 61.715 62.300 -0.061 0.000 0.925 68 V CB 0.094 31.947 31.823 0.051 0.000 0.985 68 V HN 0.042 nan 8.190 nan 0.000 0.466 69 F N 1.556 121.367 119.950 -0.232 0.000 2.692 69 F HA 0.862 5.389 4.527 -0.000 0.000 0.320 69 F C -0.347 175.247 175.800 -0.344 0.000 1.123 69 F CA -0.968 56.830 58.000 -0.338 0.000 0.961 69 F CB 1.801 40.611 39.000 -0.317 0.000 1.383 69 F HN 0.234 nan 8.300 nan 0.000 0.483 70 S N 1.449 117.103 115.700 -0.077 0.000 2.472 70 S HA 0.734 5.204 4.470 -0.000 0.000 0.303 70 S C -1.171 173.420 174.600 -0.015 0.000 1.099 70 S CA -0.482 57.648 58.200 -0.118 0.000 1.077 70 S CB 1.342 64.445 63.200 -0.161 0.000 1.031 70 S HN 0.485 nan 8.310 nan 0.000 0.487 71 L N 2.948 124.170 121.223 -0.001 0.000 2.334 71 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 71 L C 0.688 177.590 176.870 0.054 0.000 1.036 71 L CA 0.387 55.262 54.840 0.058 0.000 0.807 71 L CB 0.821 42.941 42.059 0.103 0.000 1.231 71 L HN 0.845 nan 8.230 nan 0.000 0.438 72 Q N 1.102 120.961 119.800 0.098 0.000 2.475 72 Q HA -0.240 4.100 4.340 -0.000 0.000 0.280 72 Q C 1.204 177.296 176.000 0.154 0.000 1.234 72 Q CA 0.441 56.352 55.803 0.180 0.000 0.873 72 Q CB -1.090 27.754 28.738 0.176 0.000 1.256 72 Q HN 0.631 nan 8.270 nan 0.000 0.475 73 L N -0.938 120.323 121.223 0.062 0.000 2.030 73 L HA -0.348 3.992 4.340 -0.000 0.000 0.222 73 L C 2.145 179.012 176.870 -0.005 0.000 1.082 73 L CA 2.212 57.054 54.840 0.004 0.000 0.785 73 L CB -0.529 41.506 42.059 -0.039 0.000 0.895 73 L HN 0.625 nan 8.230 nan 0.000 0.439 74 A N -1.870 120.934 122.820 -0.026 0.000 2.066 74 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 74 A C 1.360 178.737 177.584 -0.345 0.000 1.157 74 A CA 0.792 52.698 52.037 -0.218 0.000 0.670 74 A CB -0.396 18.402 19.000 -0.337 0.000 0.804 74 A HN 0.497 nan 8.150 nan 0.000 0.453 75 W N 0.219 121.515 121.300 -0.006 0.000 3.770 75 W HA 0.258 4.918 4.660 -0.000 0.000 0.434 75 W C 0.802 177.318 176.519 -0.006 0.000 2.680 75 W CA 1.175 58.518 57.345 -0.003 0.000 1.413 75 W CB -0.934 28.528 29.460 0.003 0.000 2.116 75 W HN 0.062 nan 8.180 nan 0.000 0.469 76 T N 0.141 114.859 114.554 0.272 0.000 2.770 76 T HA 0.407 4.757 4.350 -0.000 0.000 0.283 76 T C -2.489 172.271 174.700 0.099 0.000 0.988 76 T CA -2.381 59.797 62.100 0.129 0.000 0.957 76 T CB 1.309 70.233 68.868 0.093 0.000 0.930 76 T HN -0.161 nan 8.240 nan 0.000 0.443 77 P HA 0.190 nan 4.420 nan 0.000 0.264 77 P C -0.672 176.628 177.300 -0.001 0.000 1.193 77 P CA -0.290 62.819 63.100 0.015 0.000 0.763 77 P CB 0.671 32.358 31.700 -0.021 0.000 0.810 78 V N 5.010 124.918 119.914 -0.009 0.000 2.417 78 V HA 0.220 4.339 4.120 -0.000 0.000 0.291 78 V C 0.385 176.416 176.094 -0.106 0.000 1.024 78 V CA -0.705 61.576 62.300 -0.031 0.000 0.861 78 V CB 2.122 33.950 31.823 0.008 0.000 0.985 78 V HN 0.266 nan 8.190 nan 0.000 0.436 79 V N 5.816 125.640 119.914 -0.150 0.000 2.427 79 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 79 V C -0.168 175.700 176.094 -0.377 0.000 1.034 79 V CA -0.562 61.582 62.300 -0.260 0.000 0.893 79 V CB 1.976 33.675 31.823 -0.206 0.000 0.982 79 V HN 0.606 nan 8.190 nan 0.000 0.452 80 V N 6.488 125.993 119.914 -0.680 0.000 2.347 80 V HA 0.451 4.571 4.120 -0.000 0.000 0.280 80 V C -0.156 175.501 176.094 -0.729 0.000 1.021 80 V CA -0.499 61.292 62.300 -0.848 0.000 0.847 80 V CB 1.329 32.240 31.823 -1.520 0.000 0.990 80 V HN 0.620 nan 8.190 nan 0.000 0.444 81 L N 4.793 125.764 121.223 -0.421 0.000 2.289 81 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 81 L C 0.998 177.745 176.870 -0.205 0.000 1.049 81 L CA -0.043 54.636 54.840 -0.268 0.000 0.804 81 L CB 0.931 42.880 42.059 -0.184 0.000 1.195 81 L HN 0.625 nan 8.230 nan 0.000 0.428 82 N N 1.417 120.042 118.700 -0.125 0.000 2.559 82 N HA 0.071 4.811 4.740 -0.000 0.000 0.247 82 N C 0.787 176.293 175.510 -0.007 0.000 1.063 82 N CA 0.209 53.228 53.050 -0.050 0.000 0.876 82 N CB 0.566 39.061 38.487 0.012 0.000 1.608 82 N HN 0.706 nan 8.380 nan 0.000 0.467 83 G N 1.726 110.528 108.800 0.003 0.000 2.750 83 G HA2 0.105 4.065 3.960 -0.000 0.000 0.250 83 G HA3 0.105 4.065 3.960 -0.000 0.000 0.250 83 G C 1.112 176.012 174.900 -0.001 0.000 1.230 83 G CA -0.291 44.815 45.100 0.009 0.000 0.883 83 G HN 0.146 nan 8.290 nan 0.000 0.573 84 L N 1.085 122.309 121.223 0.002 0.000 2.046 84 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 84 L C 2.914 179.781 176.870 -0.006 0.000 1.077 84 L CA 2.735 57.575 54.840 0.000 0.000 0.747 84 L CB -0.855 41.200 42.059 -0.007 0.000 0.896 84 L HN 0.593 nan 8.230 nan 0.000 0.432 85 A N 0.039 122.855 122.820 -0.007 0.000 1.873 85 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 85 A C 2.503 180.087 177.584 0.000 0.000 1.193 85 A CA 2.403 54.438 52.037 -0.004 0.000 0.629 85 A CB -1.412 17.587 19.000 -0.001 0.000 0.826 85 A HN 0.636 nan 8.150 nan 0.000 0.447 86 A N -0.884 121.936 122.820 -0.001 0.000 1.902 86 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 86 A C 2.251 179.819 177.584 -0.026 0.000 1.181 86 A CA 1.861 53.894 52.037 -0.007 0.000 0.623 86 A CB -0.906 18.084 19.000 -0.016 0.000 0.818 86 A HN 0.430 nan 8.150 nan 0.000 0.443 87 V N -0.303 119.590 119.914 -0.035 0.000 2.358 87 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 87 V C 2.635 178.709 176.094 -0.033 0.000 1.047 87 V CA 2.047 64.315 62.300 -0.052 0.000 1.035 87 V CB -0.755 31.038 31.823 -0.049 0.000 0.658 87 V HN 0.524 nan 8.190 nan 0.000 0.452 88 R N -0.206 120.287 120.500 -0.012 0.000 2.073 88 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 88 R C 2.433 178.738 176.300 0.008 0.000 1.134 88 R CA 1.879 57.979 56.100 -0.000 0.000 0.952 88 R CB -0.274 30.028 30.300 0.003 0.000 0.850 88 R HN 0.621 nan 8.270 nan 0.000 0.433 89 E N -0.367 119.844 120.200 0.020 0.000 2.118 89 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 89 E C 1.597 178.274 176.600 0.129 0.000 0.992 89 E CA 1.368 57.806 56.400 0.064 0.000 0.804 89 E CB 0.024 29.764 29.700 0.066 0.000 0.741 89 E HN 0.408 nan 8.360 nan 0.000 0.458 90 A N 0.120 122.973 122.820 0.054 0.000 1.935 90 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 90 A C 2.005 179.600 177.584 0.018 0.000 1.178 90 A CA 0.539 52.598 52.037 0.035 0.000 0.640 90 A CB -0.088 18.879 19.000 -0.056 0.000 0.825 90 A HN 0.242 nan 8.150 nan 0.000 0.447 91 L N -1.010 120.200 121.223 -0.023 0.000 2.357 91 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 91 L C 2.063 178.942 176.870 0.016 0.000 1.075 91 L CA 0.298 55.117 54.840 -0.035 0.000 0.830 91 L CB -0.028 41.979 42.059 -0.087 0.000 0.996 91 L HN 0.215 nan 8.230 nan 0.000 0.467 92 V N -1.212 118.710 119.914 0.014 0.000 2.423 92 V HA -0.096 4.024 4.120 -0.000 0.000 0.233 92 V C 2.405 178.489 176.094 -0.016 0.000 1.067 92 V CA 1.693 64.001 62.300 0.013 0.000 1.073 92 V CB -0.648 31.182 31.823 0.011 0.000 0.715 92 V HN 0.249 nan 8.190 nan 0.000 0.485 93 T N 0.228 114.753 114.554 -0.048 0.000 2.597 93 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 93 T C 1.467 176.005 174.700 -0.269 0.000 1.053 93 T CA 2.018 64.017 62.100 -0.169 0.000 1.165 93 T CB -0.438 68.306 68.868 -0.207 0.000 0.863 93 T HN 0.529 nan 8.240 nan 0.000 0.427 94 H N 0.050 119.108 119.070 -0.020 0.000 2.519 94 H HA 0.334 4.890 4.556 -0.000 0.000 0.289 94 H C 2.205 177.512 175.328 -0.036 0.000 1.040 94 H CA 0.148 56.179 56.048 -0.028 0.000 1.165 94 H CB -0.311 29.429 29.762 -0.037 0.000 1.462 94 H HN 0.437 nan 8.280 nan 0.000 0.555 95 G N 1.342 110.169 108.800 0.045 0.000 2.517 95 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.222 95 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.222 95 G C 1.653 176.561 174.900 0.013 0.000 1.109 95 G CA 0.870 45.993 45.100 0.038 0.000 0.746 95 G HN 0.308 nan 8.290 nan 0.000 0.576 96 E N 0.340 120.543 120.200 0.005 0.000 2.285 96 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 96 E C 1.456 177.928 176.600 -0.214 0.000 0.997 96 E CA 0.662 57.042 56.400 -0.033 0.000 0.845 96 E CB 0.047 29.776 29.700 0.049 0.000 0.782 96 E HN 0.323 nan 8.360 nan 0.000 0.491 97 D N -1.226 119.097 120.400 -0.127 0.000 2.349 97 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 97 D C 0.595 176.790 176.300 -0.175 0.000 1.063 97 D CA 0.853 54.754 54.000 -0.165 0.000 0.847 97 D CB 0.751 41.523 40.800 -0.045 0.000 0.933 97 D HN 0.242 nan 8.370 nan 0.000 0.513 98 T N -3.151 111.317 114.554 -0.143 0.000 3.231 98 T HA 0.401 4.751 4.350 -0.000 0.000 0.292 98 T C 1.205 175.895 174.700 -0.016 0.000 1.001 98 T CA -0.281 61.778 62.100 -0.068 0.000 0.920 98 T CB 0.533 69.389 68.868 -0.020 0.000 1.140 98 T HN -0.052 nan 8.240 nan 0.000 0.525 99 A N 0.910 123.596 122.820 -0.223 0.000 2.327 99 A HA 0.401 4.721 4.320 -0.000 0.000 0.228 99 A C 0.516 177.823 177.584 -0.462 0.000 1.275 99 A CA -0.251 51.605 52.037 -0.302 0.000 0.875 99 A CB -0.404 18.412 19.000 -0.306 0.000 0.925 99 A HN 0.518 nan 8.150 nan 0.000 0.493 100 D N -0.376 119.820 120.400 -0.340 0.000 2.340 100 D HA 0.512 5.152 4.640 -0.000 0.000 0.251 100 D C -0.110 176.031 176.300 -0.265 0.000 1.080 100 D CA -0.386 53.461 54.000 -0.255 0.000 0.971 100 D CB 0.798 41.515 40.800 -0.139 0.000 1.137 100 D HN 0.013 nan 8.370 nan 0.000 0.475 101 R N 1.242 121.612 120.500 -0.216 0.000 2.445 101 R HA 0.540 4.880 4.340 -0.000 0.000 0.308 101 R C -2.444 173.802 176.300 -0.090 0.000 0.961 101 R CA -2.215 53.771 56.100 -0.191 0.000 0.862 101 R CB 1.575 31.758 30.300 -0.194 0.000 1.144 101 R HN 0.289 nan 8.270 nan 0.000 0.447 102 P HA 0.202 nan 4.420 nan 0.000 0.275 102 P C -2.461 174.830 177.300 -0.014 0.000 1.227 102 P CA -1.238 61.848 63.100 -0.022 0.000 0.781 102 P CB 0.120 31.819 31.700 -0.002 0.000 0.906 103 P HA 0.035 nan 4.420 nan 0.000 0.267 103 P C -0.693 176.598 177.300 -0.015 0.000 1.200 103 P CA 0.256 63.351 63.100 -0.008 0.000 0.772 103 P CB 0.370 32.068 31.700 -0.004 0.000 0.855 104 V N -1.383 118.507 119.914 -0.040 0.000 2.971 104 V HA 0.416 4.536 4.120 -0.000 0.000 0.309 104 V C -2.284 173.723 176.094 -0.145 0.000 1.130 104 V CA -2.267 59.995 62.300 -0.064 0.000 0.964 104 V CB 1.598 33.381 31.823 -0.066 0.000 1.029 104 V HN 0.178 nan 8.190 nan 0.000 0.427 105 P HA 0.079 nan 4.420 nan 0.000 0.225 105 P C 1.511 178.506 177.300 -0.508 0.000 1.148 105 P CA 0.974 63.896 63.100 -0.296 0.000 0.779 105 P CB 0.106 31.661 31.700 -0.242 0.000 0.780 106 I N -0.121 120.091 120.570 -0.597 0.000 2.118 106 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 106 I C 2.539 178.285 176.117 -0.619 0.000 1.070 106 I CA 2.335 63.270 61.300 -0.607 0.000 1.327 106 I CB -1.556 36.184 38.000 -0.434 0.000 1.034 106 I HN 0.119 nan 8.210 nan 0.000 0.405 107 T N -1.227 112.971 114.554 -0.594 0.000 2.684 107 T HA -0.334 4.016 4.350 -0.000 0.000 0.267 107 T C 1.869 176.262 174.700 -0.512 0.000 1.036 107 T CA 1.922 63.527 62.100 -0.826 0.000 1.148 107 T CB -0.577 68.142 68.868 -0.248 0.000 0.863 107 T HN 0.435 nan 8.240 nan 0.000 0.436 108 Q N 0.297 119.923 119.800 -0.290 0.000 2.046 108 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 108 Q C 2.453 178.348 176.000 -0.176 0.000 0.975 108 Q CA 1.543 57.246 55.803 -0.166 0.000 0.836 108 Q CB -0.299 28.367 28.738 -0.121 0.000 0.896 108 Q HN 0.684 nan 8.270 nan 0.000 0.428 109 I N 0.538 120.960 120.570 -0.246 0.000 2.163 109 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 109 I C 1.813 177.829 176.117 -0.169 0.000 1.085 109 I CA 1.072 62.250 61.300 -0.203 0.000 1.347 109 I CB -0.148 37.690 38.000 -0.270 0.000 1.044 109 I HN 0.279 nan 8.210 nan 0.000 0.408 110 L N 0.893 121.963 121.223 -0.255 0.000 2.622 110 L HA 0.060 4.400 4.340 -0.000 0.000 0.233 110 L C 1.191 178.056 176.870 -0.007 0.000 1.156 110 L CA 0.372 55.120 54.840 -0.153 0.000 0.866 110 L CB -1.060 40.846 42.059 -0.254 0.000 0.980 110 L HN 0.516 nan 8.230 nan 0.000 0.448 111 G N -0.226 108.561 108.800 -0.023 0.000 2.333 111 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.296 111 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.296 111 G C 0.507 175.540 174.900 0.222 0.000 1.059 111 G CA 0.108 45.250 45.100 0.070 0.000 1.050 111 G HN 0.314 nan 8.290 nan 0.000 0.508 112 F N 0.690 120.628 119.950 -0.019 0.000 1.990 112 F HA 0.245 4.772 4.527 -0.000 0.000 0.293 112 F C 2.405 178.201 175.800 -0.006 0.000 1.244 112 F CA 1.233 59.227 58.000 -0.010 0.000 1.153 112 F CB -0.426 38.571 39.000 -0.005 0.000 0.975 112 F HN 0.915 nan 8.300 nan 0.000 0.492 113 G N 0.434 109.371 108.800 0.229 0.000 2.539 113 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.256 113 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.256 113 G C -1.929 173.002 174.900 0.052 0.000 1.233 113 G CA -0.155 45.008 45.100 0.105 0.000 0.936 113 G HN 0.277 nan 8.290 nan 0.000 0.571 114 P HA -0.144 nan 4.420 nan 0.000 0.206 114 P C 1.020 178.316 177.300 -0.005 0.000 1.142 114 P CA 2.563 65.670 63.100 0.012 0.000 0.946 114 P CB -0.220 31.483 31.700 0.006 0.000 0.777 115 R N -1.063 119.421 120.500 -0.027 0.000 2.776 115 R HA 0.449 4.789 4.340 -0.000 0.000 0.391 115 R C -0.392 175.857 176.300 -0.086 0.000 1.116 115 R CA -0.164 55.904 56.100 -0.053 0.000 1.056 115 R CB -0.190 30.082 30.300 -0.046 0.000 1.369 115 R HN 0.007 nan 8.270 nan 0.000 0.590 116 S N 0.476 116.108 115.700 -0.113 0.000 2.694 116 S HA 0.171 4.641 4.470 -0.000 0.000 0.232 116 S C -0.563 173.780 174.600 -0.429 0.000 1.017 116 S CA -0.763 57.323 58.200 -0.191 0.000 1.139 116 S CB 0.490 63.624 63.200 -0.109 0.000 1.247 116 S HN 0.366 nan 8.310 nan 0.000 0.452 117 Q N 0.206 119.750 119.800 -0.426 0.000 2.359 117 Q HA 0.781 5.121 4.340 -0.000 0.000 0.275 117 Q C 0.921 176.679 176.000 -0.402 0.000 1.082 117 Q CA -1.151 54.240 55.803 -0.686 0.000 0.849 117 Q CB 0.960 29.595 28.738 -0.171 0.000 1.377 117 Q HN 0.285 nan 8.270 nan 0.000 0.452 118 G N -0.194 108.431 108.800 -0.291 0.000 3.224 118 G HA2 0.208 4.168 3.960 -0.000 0.000 0.161 118 G HA3 0.208 4.168 3.960 -0.000 0.000 0.161 118 G C 0.454 175.414 174.900 0.099 0.000 1.872 118 G CA 0.205 45.274 45.100 -0.051 0.000 1.012 118 G HN 0.369 nan 8.290 nan 0.000 0.504 119 V N -1.370 118.680 119.914 0.226 0.000 2.948 119 V HA 0.207 4.327 4.120 -0.000 0.000 0.234 119 V C 2.091 178.444 176.094 0.433 0.000 1.205 119 V CA 0.329 62.839 62.300 0.350 0.000 1.234 119 V CB -0.660 31.316 31.823 0.255 0.000 1.020 119 V HN 0.376 nan 8.190 nan 0.000 0.491 120 F N 1.285 121.382 119.950 0.245 0.000 2.065 120 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 120 F C 1.728 177.623 175.800 0.158 0.000 1.112 120 F CA 2.068 60.191 58.000 0.206 0.000 1.212 120 F CB 0.080 39.191 39.000 0.185 0.000 0.975 120 F HN 0.011 nan 8.300 nan 0.000 0.476 121 L N -0.665 120.783 121.223 0.376 0.000 2.667 121 L HA 0.352 4.692 4.340 -0.000 0.000 0.232 121 L C 0.818 177.802 176.870 0.192 0.000 1.138 121 L CA -0.283 54.706 54.840 0.249 0.000 0.921 121 L CB -0.772 41.487 42.059 0.334 0.000 1.180 121 L HN 0.027 nan 8.230 nan 0.000 0.487 122 A N 0.936 123.876 122.820 0.199 0.000 2.425 122 A HA 0.381 4.701 4.320 -0.000 0.000 0.242 122 A C 0.342 177.952 177.584 0.043 0.000 1.077 122 A CA -0.054 52.086 52.037 0.171 0.000 0.781 122 A CB 0.274 19.431 19.000 0.261 0.000 1.020 122 A HN 0.308 nan 8.150 nan 0.000 0.494 123 R N -0.210 120.321 120.500 0.051 0.000 2.500 123 R HA 0.234 4.574 4.340 -0.000 0.000 0.277 123 R C -0.775 175.526 176.300 0.001 0.000 1.026 123 R CA -0.494 55.604 56.100 -0.003 0.000 1.058 123 R CB 0.681 31.000 30.300 0.032 0.000 1.078 123 R HN 0.742 nan 8.270 nan 0.000 0.509 124 Y N 0.896 121.089 120.300 -0.178 0.000 2.805 124 Y HA 0.147 4.697 4.550 -0.000 0.000 0.331 124 Y C 0.547 176.458 175.900 0.020 0.000 1.241 124 Y CA 1.874 59.886 58.100 -0.146 0.000 1.546 124 Y CB 0.190 38.542 38.460 -0.181 0.000 1.248 124 Y HN 0.765 nan 8.280 nan 0.000 0.559 125 G N 5.311 113.853 108.800 -0.431 0.000 2.337 125 G HA2 0.088 4.048 3.960 -0.000 0.000 0.298 125 G HA3 0.088 4.048 3.960 -0.000 0.000 0.298 125 G C -2.565 172.245 174.900 -0.149 0.000 1.335 125 G CA -0.558 44.387 45.100 -0.257 0.000 0.875 125 G HN 0.285 nan 8.290 nan 0.000 0.579 126 P HA -0.200 nan 4.420 nan 0.000 0.216 126 P C 2.271 179.540 177.300 -0.050 0.000 1.167 126 P CA 3.094 66.155 63.100 -0.064 0.000 0.914 126 P CB -0.241 31.432 31.700 -0.044 0.000 0.793 127 A N -0.777 122.022 122.820 -0.034 0.000 1.881 127 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 127 A C 2.311 179.888 177.584 -0.010 0.000 1.215 127 A CA 2.507 54.521 52.037 -0.038 0.000 0.648 127 A CB -2.094 16.900 19.000 -0.010 0.000 0.832 127 A HN 0.372 nan 8.150 nan 0.000 0.455 128 W N 0.271 121.506 121.300 -0.108 0.000 2.409 128 W HA -0.092 4.567 4.660 -0.000 0.000 0.299 128 W C 2.418 178.905 176.519 -0.054 0.000 1.203 128 W CA 1.663 58.968 57.345 -0.067 0.000 1.298 128 W CB -0.164 29.272 29.460 -0.040 0.000 1.127 128 W HN 0.249 nan 8.180 nan 0.000 0.528 129 R N 0.339 120.787 120.500 -0.087 0.000 2.082 129 R HA -0.208 4.132 4.340 -0.000 0.000 0.234 129 R C 2.177 178.319 176.300 -0.264 0.000 1.136 129 R CA 1.885 57.824 56.100 -0.269 0.000 0.935 129 R CB -0.952 29.311 30.300 -0.061 0.000 0.842 129 R HN 0.193 nan 8.270 nan 0.000 0.430 130 E N 0.213 120.316 120.200 -0.162 0.000 2.197 130 E HA -0.264 4.086 4.350 -0.000 0.000 0.205 130 E C 1.919 178.425 176.600 -0.156 0.000 1.029 130 E CA 1.525 57.842 56.400 -0.138 0.000 0.828 130 E CB 0.072 29.650 29.700 -0.203 0.000 0.737 130 E HN 0.361 nan 8.360 nan 0.000 0.464 131 Q N -1.012 118.644 119.800 -0.240 0.000 2.392 131 Q HA 0.091 4.430 4.340 -0.000 0.000 0.219 131 Q C 2.043 177.961 176.000 -0.136 0.000 0.895 131 Q CA -0.019 55.688 55.803 -0.158 0.000 0.929 131 Q CB 0.242 28.881 28.738 -0.164 0.000 1.077 131 Q HN 0.164 nan 8.270 nan 0.000 0.532 132 R N 0.716 120.966 120.500 -0.416 0.000 2.062 132 R HA -0.047 4.292 4.340 -0.000 0.000 0.229 132 R C 2.063 178.242 176.300 -0.200 0.000 1.128 132 R CA 0.945 56.791 56.100 -0.425 0.000 0.960 132 R CB 0.114 29.881 30.300 -0.888 0.000 0.855 132 R HN -0.006 nan 8.270 nan 0.000 0.432 133 R N 0.042 120.433 120.500 -0.182 0.000 2.162 133 R HA -0.238 4.102 4.340 -0.000 0.000 0.245 133 R C 2.035 178.353 176.300 0.029 0.000 1.129 133 R CA 2.553 58.620 56.100 -0.055 0.000 0.940 133 R CB -0.915 29.375 30.300 -0.017 0.000 0.875 133 R HN 0.281 nan 8.270 nan 0.000 0.437 134 F N 0.189 120.127 119.950 -0.020 0.000 2.113 134 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 134 F C 2.127 177.965 175.800 0.062 0.000 1.103 134 F CA 1.861 59.904 58.000 0.071 0.000 1.248 134 F CB -0.284 38.831 39.000 0.192 0.000 0.999 134 F HN -0.022 nan 8.300 nan 0.000 0.475 135 S N 0.428 116.055 115.700 -0.122 0.000 2.368 135 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 135 S C 2.308 176.807 174.600 -0.168 0.000 1.029 135 S CA 1.353 59.437 58.200 -0.193 0.000 0.988 135 S CB -0.762 62.452 63.200 0.024 0.000 0.838 135 S HN 0.492 nan 8.310 nan 0.000 0.462 136 V N 0.419 120.269 119.914 -0.107 0.000 2.358 136 V HA -0.110 4.010 4.120 -0.000 0.000 0.246 136 V C 2.063 178.096 176.094 -0.103 0.000 1.047 136 V CA 2.144 64.394 62.300 -0.082 0.000 1.035 136 V CB -1.237 30.555 31.823 -0.052 0.000 0.658 136 V HN 0.359 nan 8.190 nan 0.000 0.452 137 S N 0.695 116.322 115.700 -0.123 0.000 2.359 137 S HA -0.226 4.244 4.470 -0.000 0.000 0.223 137 S C 2.009 176.510 174.600 -0.165 0.000 1.039 137 S CA 2.517 60.643 58.200 -0.123 0.000 1.042 137 S CB -0.760 62.375 63.200 -0.109 0.000 0.915 137 S HN 0.841 nan 8.310 nan 0.000 0.439 138 T N 2.295 116.673 114.554 -0.294 0.000 2.821 138 T HA 0.098 4.448 4.350 -0.000 0.000 0.267 138 T C 1.692 176.304 174.700 -0.146 0.000 1.046 138 T CA 0.829 62.758 62.100 -0.285 0.000 1.139 138 T CB -0.235 68.305 68.868 -0.547 0.000 0.871 138 T HN 0.269 nan 8.240 nan 0.000 0.454 139 L N 0.045 121.196 121.223 -0.121 0.000 2.240 139 L HA 0.105 4.445 4.340 -0.000 0.000 0.211 139 L C 2.784 179.618 176.870 -0.060 0.000 1.106 139 L CA 0.851 55.656 54.840 -0.059 0.000 0.793 139 L CB -0.365 41.675 42.059 -0.033 0.000 0.927 139 L HN 0.102 nan 8.230 nan 0.000 0.446 140 R N 0.072 120.530 120.500 -0.070 0.000 2.075 140 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 140 R C 2.142 178.404 176.300 -0.063 0.000 1.126 140 R CA 1.248 57.312 56.100 -0.061 0.000 0.963 140 R CB -0.104 30.163 30.300 -0.055 0.000 0.858 140 R HN 0.378 nan 8.270 nan 0.000 0.435 141 N N 0.429 119.088 118.700 -0.067 0.000 2.171 141 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 141 N C 1.758 177.222 175.510 -0.076 0.000 1.021 141 N CA 1.134 54.147 53.050 -0.061 0.000 0.854 141 N CB -0.093 38.363 38.487 -0.051 0.000 0.994 141 N HN 0.192 nan 8.380 nan 0.000 0.426 142 L N 0.322 121.493 121.223 -0.086 0.000 2.179 142 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 142 L C 2.390 179.154 176.870 -0.176 0.000 1.096 142 L CA 0.671 55.428 54.840 -0.139 0.000 0.779 142 L CB -0.799 41.198 42.059 -0.103 0.000 0.922 142 L HN 0.151 nan 8.230 nan 0.000 0.443 143 G N 1.020 109.751 108.800 -0.114 0.000 2.679 143 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.217 143 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.217 143 G C 1.399 176.232 174.900 -0.111 0.000 1.267 143 G CA 1.131 46.171 45.100 -0.101 0.000 0.799 143 G HN 0.203 nan 8.290 nan 0.000 0.606 144 L N -0.202 120.968 121.223 -0.089 0.000 2.121 144 L HA 0.251 4.591 4.340 -0.000 0.000 0.200 144 L C 2.910 179.725 176.870 -0.093 0.000 1.132 144 L CA 0.756 55.547 54.840 -0.082 0.000 0.782 144 L CB -1.579 40.444 42.059 -0.059 0.000 0.940 144 L HN 0.464 nan 8.230 nan 0.000 0.458 145 G N 0.954 109.708 108.800 -0.076 0.000 3.191 145 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.357 145 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.357 145 G C 0.923 175.781 174.900 -0.069 0.000 1.651 145 G CA 1.540 46.599 45.100 -0.069 0.000 1.737 145 G HN 0.468 nan 8.290 nan 0.000 0.865 146 K N 0.490 120.833 120.400 -0.095 0.000 3.278 146 K HA 0.381 4.701 4.320 -0.000 0.000 0.200 146 K C 0.261 176.783 176.600 -0.130 0.000 1.107 146 K CA 0.129 56.363 56.287 -0.088 0.000 0.923 146 K CB 0.690 33.152 32.500 -0.064 0.000 0.787 146 K HN 0.535 nan 8.250 nan 0.000 0.481 147 K N -1.081 119.235 120.400 -0.141 0.000 3.274 147 K HA -0.284 4.036 4.320 -0.000 0.000 0.305 147 K C 0.983 177.404 176.600 -0.299 0.000 1.225 147 K CA 0.750 56.937 56.287 -0.167 0.000 0.904 147 K CB -1.703 30.730 32.500 -0.113 0.000 1.227 147 K HN 0.184 nan 8.250 nan 0.000 0.453 148 S N 0.967 116.422 115.700 -0.408 0.000 2.392 148 S HA -0.164 4.305 4.470 -0.000 0.000 0.225 148 S C 1.763 175.637 174.600 -1.210 0.000 1.041 148 S CA 1.732 59.438 58.200 -0.822 0.000 1.100 148 S CB -0.099 62.638 63.200 -0.772 0.000 1.029 148 S HN 0.358 nan 8.310 nan 0.000 0.424 149 L N 0.918 121.652 121.223 -0.814 0.000 2.043 149 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 149 L C 2.694 179.437 176.870 -0.211 0.000 1.075 149 L CA 1.636 56.221 54.840 -0.425 0.000 0.752 149 L CB -0.522 41.439 42.059 -0.163 0.000 0.891 149 L HN 0.462 nan 8.230 nan 0.000 0.432 150 E N -0.286 119.792 120.200 -0.203 0.000 2.051 150 E HA -0.316 4.034 4.350 -0.000 0.000 0.192 150 E C 2.135 178.681 176.600 -0.091 0.000 0.991 150 E CA 1.538 57.873 56.400 -0.108 0.000 0.799 150 E CB 0.005 29.654 29.700 -0.086 0.000 0.748 150 E HN 0.408 nan 8.360 nan 0.000 0.449 151 Q N -0.177 119.521 119.800 -0.169 0.000 1.998 151 Q HA -0.220 4.119 4.340 -0.000 0.000 0.209 151 Q C 1.887 177.940 176.000 0.089 0.000 1.002 151 Q CA 2.487 58.244 55.803 -0.076 0.000 0.858 151 Q CB -0.289 28.365 28.738 -0.139 0.000 0.932 151 Q HN 0.402 nan 8.270 nan 0.000 0.416 152 W N -0.124 121.183 121.300 0.011 0.000 2.321 152 W HA -0.157 4.503 4.660 -0.000 0.000 0.306 152 W C 2.198 178.734 176.519 0.029 0.000 1.217 152 W CA 0.860 58.219 57.345 0.023 0.000 1.257 152 W CB -1.182 28.295 29.460 0.029 0.000 1.145 152 W HN 0.158 nan 8.180 nan 0.000 0.509 153 V N 0.681 120.715 119.914 0.201 0.000 2.270 153 V HA -0.300 3.819 4.120 -0.000 0.000 0.245 153 V C 2.304 178.366 176.094 -0.054 0.000 1.043 153 V CA 2.817 65.132 62.300 0.024 0.000 1.014 153 V CB -1.636 30.122 31.823 -0.110 0.000 0.645 153 V HN 0.138 nan 8.190 nan 0.000 0.447 154 T N 1.177 115.714 114.554 -0.028 0.000 2.759 154 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 154 T C 1.674 176.403 174.700 0.048 0.000 1.042 154 T CA 1.873 63.963 62.100 -0.016 0.000 1.140 154 T CB -0.456 68.414 68.868 0.004 0.000 0.864 154 T HN 0.851 nan 8.240 nan 0.000 0.455 155 E N 1.465 121.718 120.200 0.090 0.000 2.107 155 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 155 E C 2.139 178.825 176.600 0.143 0.000 0.982 155 E CA 0.987 57.450 56.400 0.105 0.000 0.809 155 E CB -0.245 29.520 29.700 0.108 0.000 0.756 155 E HN 0.339 nan 8.360 nan 0.000 0.459 156 E N 1.520 121.844 120.200 0.207 0.000 2.153 156 E HA -0.092 4.258 4.350 -0.000 0.000 0.194 156 E C 1.958 178.835 176.600 0.461 0.000 0.988 156 E CA 1.447 58.050 56.400 0.339 0.000 0.811 156 E CB -0.313 29.660 29.700 0.455 0.000 0.746 156 E HN 0.375 nan 8.360 nan 0.000 0.466 157 A N 0.339 123.383 122.820 0.374 0.000 1.969 157 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 157 A C 2.336 180.044 177.584 0.208 0.000 1.169 157 A CA 1.707 53.968 52.037 0.375 0.000 0.635 157 A CB -0.664 18.407 19.000 0.118 0.000 0.810 157 A HN 0.333 nan 8.150 nan 0.000 0.445 158 A N -0.974 121.927 122.820 0.134 0.000 1.929 158 A HA -0.096 4.223 4.320 -0.000 0.000 0.216 158 A C 2.261 179.882 177.584 0.062 0.000 1.176 158 A CA 1.528 53.601 52.037 0.059 0.000 0.628 158 A CB -1.109 17.921 19.000 0.050 0.000 0.816 158 A HN 0.593 nan 8.150 nan 0.000 0.444 159 C N -1.213 118.147 119.300 0.101 0.000 2.453 159 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 159 C C 2.479 177.580 174.990 0.185 0.000 1.262 159 C CA 0.951 60.003 59.018 0.056 0.000 1.718 159 C CB -1.435 26.283 27.740 -0.036 0.000 2.031 159 C HN 0.650 nan 8.230 nan 0.000 0.480 160 L N 0.995 122.402 121.223 0.306 0.000 2.043 160 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 160 L C 2.410 179.427 176.870 0.245 0.000 1.075 160 L CA 1.903 56.945 54.840 0.336 0.000 0.752 160 L CB -0.998 41.186 42.059 0.210 0.000 0.891 160 L HN 0.433 nan 8.230 nan 0.000 0.432 161 C N -0.969 118.423 119.300 0.154 0.000 2.440 161 C HA -0.037 4.423 4.460 -0.000 0.000 0.278 161 C C 2.961 178.122 174.990 0.285 0.000 1.295 161 C CA 0.499 59.632 59.018 0.192 0.000 1.738 161 C CB -1.482 26.165 27.740 -0.154 0.000 1.987 161 C HN 0.730 nan 8.230 nan 0.000 0.492 162 A N 0.633 123.550 122.820 0.161 0.000 1.877 162 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 162 A C 2.388 180.089 177.584 0.196 0.000 1.186 162 A CA 2.111 54.232 52.037 0.140 0.000 0.620 162 A CB -1.037 17.995 19.000 0.053 0.000 0.822 162 A HN 0.555 nan 8.150 nan 0.000 0.443 163 A N -1.185 121.787 122.820 0.253 0.000 1.908 163 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 163 A C 1.964 179.707 177.584 0.266 0.000 1.181 163 A CA 1.697 53.904 52.037 0.282 0.000 0.627 163 A CB -0.773 18.518 19.000 0.485 0.000 0.818 163 A HN 0.434 nan 8.150 nan 0.000 0.445 164 F N 0.178 120.161 119.950 0.055 0.000 2.069 164 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 164 F C 2.845 178.564 175.800 -0.135 0.000 1.113 164 F CA 0.899 58.824 58.000 -0.125 0.000 1.214 164 F CB -0.888 37.921 39.000 -0.318 0.000 0.978 164 F HN 0.258 nan 8.300 nan 0.000 0.474 165 A N -0.137 122.862 122.820 0.298 0.000 2.024 165 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 165 A C 1.935 179.598 177.584 0.131 0.000 1.164 165 A CA 1.886 54.128 52.037 0.343 0.000 0.643 165 A CB -1.180 18.087 19.000 0.446 0.000 0.806 165 A HN 0.567 nan 8.150 nan 0.000 0.451 166 N N -1.401 117.325 118.700 0.043 0.000 2.519 166 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 166 N C 0.851 176.220 175.510 -0.235 0.000 1.062 166 N CA 0.816 53.811 53.050 -0.092 0.000 0.910 166 N CB -0.211 38.197 38.487 -0.133 0.000 0.958 166 N HN 0.697 nan 8.380 nan 0.000 0.445 167 H N -0.097 118.841 119.070 -0.219 0.000 2.539 167 H HA 0.201 4.757 4.556 -0.000 0.000 0.267 167 H C 0.306 175.574 175.328 -0.100 0.000 0.982 167 H CA 0.065 55.953 56.048 -0.267 0.000 1.146 167 H CB 0.387 29.766 29.762 -0.637 0.000 1.382 167 H HN -0.060 nan 8.280 nan 0.000 0.577 168 S N 0.081 115.810 115.700 0.047 0.000 3.549 168 S HA -0.241 4.229 4.470 -0.000 0.000 0.366 168 S C 1.769 176.422 174.600 0.088 0.000 1.012 168 S CA 0.672 58.911 58.200 0.066 0.000 1.141 168 S CB -1.818 61.401 63.200 0.032 0.000 0.910 168 S HN 1.019 nan 8.310 nan 0.000 0.471 169 G N 0.050 108.921 108.800 0.118 0.000 2.270 169 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.268 169 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.268 169 G C 0.215 175.184 174.900 0.114 0.000 0.982 169 G CA 0.669 45.841 45.100 0.119 0.000 0.628 169 G HN 0.629 nan 8.290 nan 0.000 0.544 170 R N 1.546 122.113 120.500 0.111 0.000 2.522 170 R HA 0.241 4.581 4.340 -0.000 0.000 0.284 170 R C -1.940 174.461 176.300 0.168 0.000 1.032 170 R CA -1.138 55.026 56.100 0.108 0.000 1.049 170 R CB 0.240 30.591 30.300 0.086 0.000 0.956 170 R HN 0.282 nan 8.270 nan 0.000 0.422 171 P HA 0.152 nan 4.420 nan 0.000 0.275 171 P C -0.892 176.476 177.300 0.114 0.000 1.228 171 P CA 0.092 63.240 63.100 0.080 0.000 0.786 171 P CB 0.434 32.133 31.700 -0.002 0.000 0.927 172 F N -0.557 119.243 119.950 -0.249 0.000 2.711 172 F HA 0.636 5.163 4.527 -0.000 0.000 0.313 172 F C -0.861 174.713 175.800 -0.377 0.000 1.141 172 F CA -1.516 56.272 58.000 -0.353 0.000 0.941 172 F CB 1.454 40.054 39.000 -0.665 0.000 1.349 172 F HN 0.223 nan 8.300 nan 0.000 0.464 173 R N 1.251 121.510 120.500 -0.402 0.000 2.294 173 R HA 0.462 4.802 4.340 -0.000 0.000 0.319 173 R C -2.613 173.411 176.300 -0.461 0.000 0.984 173 R CA -1.641 54.101 56.100 -0.596 0.000 0.861 173 R CB 1.572 31.574 30.300 -0.498 0.000 1.104 173 R HN 0.474 nan 8.270 nan 0.000 0.451 174 P HA -0.046 nan 4.420 nan 0.000 0.241 174 P C 0.064 177.298 177.300 -0.110 0.000 1.191 174 P CA 0.388 63.326 63.100 -0.269 0.000 0.771 174 P CB 0.120 31.684 31.700 -0.226 0.000 0.929 175 N N 0.910 119.487 118.700 -0.206 0.000 2.036 175 N HA -0.152 4.588 4.740 -0.000 0.000 0.195 175 N C 2.122 177.569 175.510 -0.105 0.000 1.037 175 N CA 1.985 54.946 53.050 -0.150 0.000 0.855 175 N CB -1.073 37.297 38.487 -0.196 0.000 1.033 175 N HN 0.209 nan 8.380 nan 0.000 0.423 176 G N 2.006 110.740 108.800 -0.109 0.000 2.446 176 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.217 176 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.217 176 G C 1.743 176.576 174.900 -0.112 0.000 1.168 176 G CA 0.436 45.469 45.100 -0.111 0.000 0.771 176 G HN 0.171 nan 8.290 nan 0.000 0.551 177 L N -0.163 121.027 121.223 -0.054 0.000 2.093 177 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 177 L C 2.916 179.755 176.870 -0.052 0.000 1.085 177 L CA 0.474 55.289 54.840 -0.041 0.000 0.755 177 L CB -0.299 41.854 42.059 0.156 0.000 0.904 177 L HN 0.201 nan 8.230 nan 0.000 0.435 178 L N -0.654 120.571 121.223 0.002 0.000 2.083 178 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 178 L C 2.220 179.035 176.870 -0.092 0.000 1.083 178 L CA 1.017 55.827 54.840 -0.051 0.000 0.752 178 L CB -0.631 41.424 42.059 -0.008 0.000 0.899 178 L HN 0.306 nan 8.230 nan 0.000 0.433 179 D N 0.333 120.681 120.400 -0.087 0.000 2.117 179 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 179 D C 2.167 178.427 176.300 -0.067 0.000 0.987 179 D CA 1.229 55.182 54.000 -0.078 0.000 0.829 179 D CB -0.037 40.697 40.800 -0.110 0.000 0.961 179 D HN 0.301 nan 8.370 nan 0.000 0.460 180 K N 0.871 121.182 120.400 -0.149 0.000 2.026 180 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 180 K C 2.203 178.870 176.600 0.112 0.000 1.048 180 K CA 1.235 57.476 56.287 -0.076 0.000 0.929 180 K CB -0.099 32.133 32.500 -0.446 0.000 0.713 180 K HN 0.016 nan 8.250 nan 0.000 0.439 181 A N 0.975 123.756 122.820 -0.064 0.000 1.845 181 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 181 A C 2.406 180.055 177.584 0.109 0.000 1.195 181 A CA 1.672 53.739 52.037 0.050 0.000 0.616 181 A CB -0.881 17.994 19.000 -0.208 0.000 0.832 181 A HN 0.067 nan 8.150 nan 0.000 0.443 182 V N 0.018 119.921 119.914 -0.019 0.000 2.287 182 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 182 V C 2.782 178.993 176.094 0.194 0.000 1.053 182 V CA 2.414 64.780 62.300 0.111 0.000 1.027 182 V CB -1.087 30.773 31.823 0.062 0.000 0.646 182 V HN 0.553 nan 8.190 nan 0.000 0.447 183 S N 0.279 116.120 115.700 0.234 0.000 2.365 183 S HA -0.244 4.226 4.470 -0.000 0.000 0.225 183 S C 1.945 176.795 174.600 0.417 0.000 1.039 183 S CA 1.786 60.216 58.200 0.384 0.000 1.033 183 S CB -0.546 62.962 63.200 0.515 0.000 0.887 183 S HN 0.605 nan 8.310 nan 0.000 0.447 184 N N 1.080 120.028 118.700 0.414 0.000 2.149 184 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 184 N C 1.650 177.255 175.510 0.159 0.000 1.019 184 N CA 0.887 54.102 53.050 0.275 0.000 0.857 184 N CB -0.692 37.945 38.487 0.249 0.000 0.997 184 N HN 0.202 nan 8.380 nan 0.000 0.426 185 V N 0.892 120.930 119.914 0.206 0.000 2.332 185 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 185 V C 2.044 178.170 176.094 0.053 0.000 1.055 185 V CA 1.220 63.630 62.300 0.184 0.000 1.038 185 V CB -0.370 31.626 31.823 0.289 0.000 0.651 185 V HN 0.168 nan 8.190 nan 0.000 0.450 186 I N 0.640 121.177 120.570 -0.055 0.000 2.315 186 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 186 I C 2.536 178.465 176.117 -0.313 0.000 1.117 186 I CA 1.520 62.632 61.300 -0.313 0.000 1.404 186 I CB -0.917 36.649 38.000 -0.723 0.000 1.071 186 I HN 0.191 nan 8.210 nan 0.000 0.419 187 A N -0.310 122.469 122.820 -0.068 0.000 1.908 187 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 187 A C 2.505 180.007 177.584 -0.136 0.000 1.181 187 A CA 2.255 54.394 52.037 0.170 0.000 0.627 187 A CB -0.938 18.302 19.000 0.399 0.000 0.818 187 A HN 0.417 nan 8.150 nan 0.000 0.445 188 S N -0.413 115.109 115.700 -0.297 0.000 2.356 188 S HA -0.159 4.311 4.470 -0.000 0.000 0.223 188 S C 1.831 175.932 174.600 -0.833 0.000 1.032 188 S CA 1.451 59.217 58.200 -0.723 0.000 1.005 188 S CB -0.494 62.140 63.200 -0.944 0.000 0.867 188 S HN 0.453 nan 8.310 nan 0.000 0.449 189 L N 1.792 122.757 121.223 -0.430 0.000 2.127 189 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 189 L C 2.218 179.077 176.870 -0.019 0.000 1.089 189 L CA 2.219 57.006 54.840 -0.088 0.000 0.757 189 L CB -0.830 41.276 42.059 0.078 0.000 0.899 189 L HN 0.577 nan 8.230 nan 0.000 0.434 190 T N -7.729 106.804 114.554 -0.036 0.000 2.975 190 T HA 0.094 4.444 4.350 -0.000 0.000 0.261 190 T C 1.273 176.032 174.700 0.099 0.000 0.984 190 T CA 0.476 62.628 62.100 0.087 0.000 0.911 190 T CB -0.693 68.259 68.868 0.139 0.000 1.127 190 T HN 0.268 nan 8.240 nan 0.000 0.514 191 C N 0.493 119.746 119.300 -0.079 0.000 3.580 191 C HA 0.769 5.229 4.460 -0.000 0.000 0.337 191 C C 2.331 176.880 174.990 -0.734 0.000 1.412 191 C CA -0.044 58.801 59.018 -0.288 0.000 1.797 191 C CB -0.025 27.635 27.740 -0.133 0.000 2.470 191 C HN 0.849 nan 8.230 nan 0.000 0.691 192 G N 1.993 110.498 108.800 -0.492 0.000 3.206 192 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.217 192 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.217 192 G C 0.239 174.883 174.900 -0.428 0.000 1.350 192 G CA 0.461 45.315 45.100 -0.409 0.000 0.836 192 G HN 0.559 nan 8.290 nan 0.000 0.548 193 R N 1.410 121.639 120.500 -0.453 0.000 2.602 193 R HA 0.857 5.197 4.340 -0.000 0.000 0.237 193 R C 0.791 176.774 176.300 -0.528 0.000 1.219 193 R CA -0.271 55.565 56.100 -0.441 0.000 1.121 193 R CB 0.130 30.189 30.300 -0.401 0.000 1.408 193 R HN 0.897 nan 8.270 nan 0.000 0.559 194 R N -0.989 119.224 120.500 -0.478 0.000 2.810 194 R HA 0.543 4.883 4.340 -0.000 0.000 0.245 194 R C -1.044 174.870 176.300 -0.642 0.000 1.168 194 R CA -0.744 55.095 56.100 -0.435 0.000 1.096 194 R CB 0.859 31.035 30.300 -0.208 0.000 1.259 194 R HN 0.426 nan 8.270 nan 0.000 0.518 195 F N -0.097 119.615 119.950 -0.396 0.000 2.495 195 F HA 0.268 4.795 4.527 -0.000 0.000 0.327 195 F C 0.114 175.725 175.800 -0.316 0.000 1.103 195 F CA -1.081 56.626 58.000 -0.489 0.000 0.949 195 F CB 2.064 40.416 39.000 -1.080 0.000 1.142 195 F HN 0.519 nan 8.300 nan 0.000 0.457 196 E N 1.762 122.009 120.200 0.079 0.000 2.529 196 E HA -0.065 4.285 4.350 -0.000 0.000 0.259 196 E C 0.570 177.391 176.600 0.368 0.000 0.966 196 E CA 0.708 57.177 56.400 0.116 0.000 0.937 196 E CB 0.084 29.846 29.700 0.104 0.000 0.923 196 E HN 0.568 nan 8.360 nan 0.000 0.468 197 Y N 1.461 121.889 120.300 0.213 0.000 2.298 197 Y HA -0.269 4.281 4.550 -0.000 0.000 0.287 197 Y C 1.393 177.448 175.900 0.259 0.000 1.164 197 Y CA 0.742 59.037 58.100 0.325 0.000 1.229 197 Y CB 0.126 38.714 38.460 0.214 0.000 0.977 197 Y HN 0.528 nan 8.280 nan 0.000 0.538 198 D N -1.274 119.322 120.400 0.326 0.000 2.349 198 D HA -0.053 4.587 4.640 -0.000 0.000 0.214 198 D C 0.059 176.465 176.300 0.177 0.000 1.063 198 D CA -0.012 54.106 54.000 0.198 0.000 0.847 198 D CB -0.509 40.366 40.800 0.125 0.000 0.933 198 D HN 0.010 nan 8.370 nan 0.000 0.513 199 D N 1.403 121.949 120.400 0.243 0.000 2.412 199 D HA 0.009 4.649 4.640 -0.000 0.000 0.257 199 D C -1.417 174.975 176.300 0.153 0.000 1.217 199 D CA -1.704 52.421 54.000 0.208 0.000 0.897 199 D CB 1.514 42.482 40.800 0.281 0.000 1.132 199 D HN -0.078 nan 8.370 nan 0.000 0.493 200 P HA -0.159 nan 4.420 nan 0.000 0.217 200 P C 1.371 178.677 177.300 0.011 0.000 1.151 200 P CA 1.028 64.151 63.100 0.039 0.000 0.849 200 P CB 0.244 31.964 31.700 0.032 0.000 0.787 201 R N -1.877 118.634 120.500 0.018 0.000 2.092 201 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 201 R C 2.315 178.535 176.300 -0.133 0.000 1.119 201 R CA 1.193 57.269 56.100 -0.041 0.000 0.970 201 R CB -1.147 29.147 30.300 -0.009 0.000 0.864 201 R HN 0.326 nan 8.270 nan 0.000 0.440 202 F N 1.266 120.998 119.950 -0.365 0.000 2.128 202 F HA -0.120 4.407 4.527 -0.000 0.000 0.295 202 F C 2.116 177.776 175.800 -0.234 0.000 1.100 202 F CA 0.833 58.536 58.000 -0.494 0.000 1.260 202 F CB -0.047 38.731 39.000 -0.369 0.000 1.009 202 F HN -0.121 nan 8.300 nan 0.000 0.476 203 L N 0.320 121.437 121.223 -0.177 0.000 2.043 203 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 203 L C 2.666 179.423 176.870 -0.187 0.000 1.075 203 L CA 1.530 56.234 54.840 -0.225 0.000 0.752 203 L CB -0.853 41.148 42.059 -0.096 0.000 0.891 203 L HN 0.122 nan 8.230 nan 0.000 0.432 204 R N 0.241 120.668 120.500 -0.121 0.000 2.083 204 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 204 R C 2.398 178.634 176.300 -0.107 0.000 1.137 204 R CA 1.728 57.774 56.100 -0.089 0.000 0.951 204 R CB -0.404 29.860 30.300 -0.061 0.000 0.851 204 R HN 0.222 nan 8.270 nan 0.000 0.434 205 L N 1.242 122.378 121.223 -0.145 0.000 1.990 205 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 205 L C 2.231 178.976 176.870 -0.209 0.000 1.072 205 L CA 1.671 56.435 54.840 -0.128 0.000 0.755 205 L CB -0.374 41.584 42.059 -0.169 0.000 0.889 205 L HN 0.212 nan 8.230 nan 0.000 0.432 206 L N -0.900 120.132 121.223 -0.318 0.000 1.970 206 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 206 L C 2.413 179.127 176.870 -0.260 0.000 1.071 206 L CA 1.729 56.372 54.840 -0.329 0.000 0.751 206 L CB -1.131 40.662 42.059 -0.443 0.000 0.889 206 L HN 0.359 nan 8.230 nan 0.000 0.432 207 D N 0.588 120.867 120.400 -0.200 0.000 2.127 207 D HA -0.219 4.421 4.640 -0.000 0.000 0.190 207 D C 2.342 178.593 176.300 -0.081 0.000 1.000 207 D CA 1.575 55.503 54.000 -0.119 0.000 0.839 207 D CB -0.233 40.539 40.800 -0.048 0.000 0.955 207 D HN 0.178 nan 8.370 nan 0.000 0.446 208 L N -0.059 121.136 121.223 -0.048 0.000 2.081 208 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 208 L C 2.544 179.218 176.870 -0.326 0.000 1.080 208 L CA 1.440 56.283 54.840 0.004 0.000 0.754 208 L CB -0.438 41.669 42.059 0.081 0.000 0.893 208 L HN 0.073 nan 8.230 nan 0.000 0.433 209 A N -1.184 121.221 122.820 -0.691 0.000 2.014 209 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 209 A C 2.141 179.441 177.584 -0.474 0.000 1.163 209 A CA 1.079 52.491 52.037 -1.041 0.000 0.652 209 A CB -0.215 18.176 19.000 -1.016 0.000 0.808 209 A HN 0.351 nan 8.150 nan 0.000 0.449 210 Q N -0.547 119.066 119.800 -0.312 0.000 1.969 210 Q HA -0.131 4.208 4.340 -0.000 0.000 0.198 210 Q C 2.117 177.991 176.000 -0.210 0.000 0.978 210 Q CA 1.851 57.522 55.803 -0.220 0.000 0.830 210 Q CB -0.250 28.373 28.738 -0.192 0.000 0.896 210 Q HN 0.642 nan 8.270 nan 0.000 0.431 211 E N -0.490 119.569 120.200 -0.235 0.000 2.153 211 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 211 E C 1.720 178.200 176.600 -0.200 0.000 0.988 211 E CA 1.443 57.646 56.400 -0.328 0.000 0.811 211 E CB -0.590 28.673 29.700 -0.729 0.000 0.746 211 E HN 0.420 nan 8.360 nan 0.000 0.466 212 G N 0.003 108.749 108.800 -0.091 0.000 2.471 212 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 212 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 212 G C 1.396 176.270 174.900 -0.043 0.000 1.125 212 G CA 0.746 45.846 45.100 0.001 0.000 0.775 212 G HN 0.342 nan 8.290 nan 0.000 0.548 213 L N -0.235 120.924 121.223 -0.107 0.000 2.307 213 L HA 0.378 4.717 4.340 -0.000 0.000 0.211 213 L C 2.510 179.332 176.870 -0.080 0.000 1.099 213 L CA 1.317 56.100 54.840 -0.094 0.000 0.816 213 L CB -0.203 41.784 42.059 -0.120 0.000 0.952 213 L HN 0.035 nan 8.230 nan 0.000 0.455 214 K N -0.103 120.236 120.400 -0.103 0.000 2.025 214 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 214 K C 1.873 178.427 176.600 -0.076 0.000 1.049 214 K CA 1.818 58.044 56.287 -0.102 0.000 0.933 214 K CB -0.135 32.281 32.500 -0.140 0.000 0.714 214 K HN 0.397 nan 8.250 nan 0.000 0.438 215 E N 0.899 121.065 120.200 -0.057 0.000 2.118 215 E HA -0.237 4.112 4.350 -0.000 0.000 0.195 215 E C 1.784 178.447 176.600 0.106 0.000 0.992 215 E CA 1.563 57.971 56.400 0.014 0.000 0.804 215 E CB -0.125 29.613 29.700 0.064 0.000 0.741 215 E HN 0.521 nan 8.360 nan 0.000 0.458 216 E N 1.051 121.297 120.200 0.076 0.000 2.230 216 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 216 E C 2.049 178.696 176.600 0.078 0.000 0.987 216 E CA 1.096 57.577 56.400 0.136 0.000 0.841 216 E CB -0.098 29.627 29.700 0.041 0.000 0.783 216 E HN 0.172 nan 8.360 nan 0.000 0.481 217 S N 1.255 116.939 115.700 -0.028 0.000 2.423 217 S HA -0.045 4.425 4.470 -0.000 0.000 0.231 217 S C 2.162 176.686 174.600 -0.127 0.000 1.014 217 S CA 0.669 58.803 58.200 -0.110 0.000 0.965 217 S CB -0.674 62.472 63.200 -0.090 0.000 0.785 217 S HN 0.386 nan 8.310 nan 0.000 0.495 218 G N 1.397 110.122 108.800 -0.124 0.000 2.514 218 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 218 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 218 G C 1.090 175.831 174.900 -0.266 0.000 1.198 218 G CA 1.040 46.001 45.100 -0.231 0.000 0.780 218 G HN 0.579 nan 8.290 nan 0.000 0.565 219 F N 0.332 120.217 119.950 -0.108 0.000 2.293 219 F HA 0.145 4.671 4.527 -0.000 0.000 0.300 219 F C 2.528 178.247 175.800 -0.136 0.000 1.086 219 F CA 0.493 58.431 58.000 -0.104 0.000 1.375 219 F CB -0.115 38.829 39.000 -0.094 0.000 1.045 219 F HN 0.031 nan 8.300 nan 0.000 0.516 220 L N 0.101 121.306 121.223 -0.031 0.000 2.240 220 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 220 L C 2.465 179.113 176.870 -0.369 0.000 1.106 220 L CA 0.783 55.479 54.840 -0.239 0.000 0.793 220 L CB -0.343 41.464 42.059 -0.420 0.000 0.927 220 L HN 0.141 nan 8.230 nan 0.000 0.446 221 R N -0.728 119.618 120.500 -0.258 0.000 2.210 221 R HA -0.041 4.298 4.340 -0.000 0.000 0.203 221 R C 1.561 177.874 176.300 0.021 0.000 1.010 221 R CA 0.513 56.578 56.100 -0.059 0.000 1.008 221 R CB -0.248 30.076 30.300 0.041 0.000 0.923 221 R HN 0.145 nan 8.270 nan 0.000 0.469 222 E N 1.165 121.351 120.200 -0.024 0.000 2.347 222 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 222 E C 1.060 177.675 176.600 0.025 0.000 1.008 222 E CA 0.297 56.695 56.400 -0.003 0.000 0.852 222 E CB 0.274 29.955 29.700 -0.032 0.000 0.783 222 E HN 0.027 nan 8.360 nan 0.000 0.505 223 V N 1.175 121.105 119.914 0.028 0.000 3.513 223 V HA -0.014 4.106 4.120 -0.000 0.000 0.311 223 V C 0.373 176.513 176.094 0.076 0.000 1.218 223 V CA 0.634 62.959 62.300 0.042 0.000 1.266 223 V CB -0.465 31.372 31.823 0.023 0.000 1.074 223 V HN 0.270 nan 8.190 nan 0.000 0.421 224 L N 1.201 122.482 121.223 0.096 0.000 2.984 224 L HA 0.422 4.762 4.340 -0.000 0.000 0.246 224 L C 0.845 177.764 176.870 0.080 0.000 1.268 224 L CA -0.073 54.840 54.840 0.121 0.000 1.054 224 L CB -0.547 41.626 42.059 0.191 0.000 1.393 224 L HN 0.522 nan 8.230 nan 0.000 0.532 225 N N 0.029 118.757 118.700 0.047 0.000 2.602 225 N HA 0.061 4.801 4.740 -0.000 0.000 0.361 225 N C 0.434 175.948 175.510 0.007 0.000 1.005 225 N CA -0.160 52.901 53.050 0.019 0.000 1.784 225 N CB 0.351 38.831 38.487 -0.010 0.000 0.718 225 N HN 0.013 nan 8.380 nan 0.000 1.682 226 A N 2.125 124.937 122.820 -0.012 0.000 2.429 226 A HA 0.410 4.730 4.320 -0.000 0.000 0.242 226 A C 0.555 178.142 177.584 0.005 0.000 1.088 226 A CA -0.199 51.827 52.037 -0.018 0.000 0.784 226 A CB 0.253 19.230 19.000 -0.038 0.000 1.038 226 A HN 0.297 nan 8.150 nan 0.000 0.501 227 V N 2.739 122.657 119.914 0.007 0.000 2.740 227 V HA 0.118 4.238 4.120 -0.000 0.000 0.303 227 V C -0.820 175.283 176.094 0.015 0.000 1.054 227 V CA -0.701 61.609 62.300 0.016 0.000 1.106 227 V CB 0.316 32.152 31.823 0.021 0.000 0.957 227 V HN 0.981 nan 8.190 nan 0.000 0.486 228 P HA -0.184 nan 4.420 nan 0.000 0.227 228 P C 0.017 177.319 177.300 0.003 0.000 1.106 228 P CA 2.823 65.928 63.100 0.007 0.000 0.998 228 P CB -0.276 31.429 31.700 0.007 0.000 0.769 229 V N -5.676 114.241 119.914 0.005 0.000 2.444 229 V HA 0.351 4.471 4.120 -0.000 0.000 0.277 229 V C 0.446 176.542 176.094 0.003 0.000 1.779 229 V CA -0.089 62.213 62.300 0.002 0.000 0.781 229 V CB -0.658 31.157 31.823 -0.013 0.000 1.322 229 V HN 0.140 nan 8.190 nan 0.000 0.396 230 D N 2.844 123.247 120.400 0.005 0.000 2.489 230 D HA 0.521 5.161 4.640 -0.000 0.000 0.265 230 D C 1.734 178.037 176.300 0.004 0.000 1.305 230 D CA 2.835 56.839 54.000 0.006 0.000 0.963 230 D CB -0.487 40.317 40.800 0.007 0.000 0.984 230 D HN 2.768 nan 8.370 nan 0.000 0.492 231 R N -2.946 117.555 120.500 0.002 0.000 4.074 231 R HA -0.232 4.108 4.340 -0.000 0.000 0.379 231 R C 1.292 177.590 176.300 -0.002 0.000 0.711 231 R CA 3.331 59.432 56.100 0.002 0.000 1.712 231 R CB -2.734 27.569 30.300 0.006 0.000 2.173 231 R HN 2.363 nan 8.270 nan 0.000 0.449 232 H N -1.530 117.538 119.070 -0.002 0.000 2.541 232 H HA 0.888 5.443 4.556 -0.000 0.000 0.246 232 H C 0.921 176.245 175.328 -0.006 0.000 1.341 232 H CA 0.403 56.449 56.048 -0.004 0.000 1.469 232 H CB -0.464 29.298 29.762 -0.000 0.000 1.472 232 H HN 1.895 nan 8.280 nan 0.000 0.503 233 I N 1.549 122.111 120.570 -0.014 0.000 3.058 233 I HA 0.471 4.641 4.170 -0.000 0.000 0.299 233 I C 0.264 176.378 176.117 -0.005 0.000 1.238 233 I CA -0.409 60.884 61.300 -0.011 0.000 1.423 233 I CB -0.614 37.368 38.000 -0.029 0.000 1.330 233 I HN 0.656 nan 8.210 nan 0.000 0.589 234 P HA 0.203 nan 4.420 nan 0.000 0.226 234 P C 1.431 178.733 177.300 0.003 0.000 1.146 234 P CA 3.302 66.406 63.100 0.005 0.000 0.773 234 P CB -0.423 31.283 31.700 0.010 0.000 0.772 235 A N -3.659 119.160 122.820 -0.002 0.000 4.411 235 A HA -0.278 4.042 4.320 -0.000 0.000 0.252 235 A C 2.454 180.040 177.584 0.003 0.000 0.659 235 A CA 2.574 54.609 52.037 -0.004 0.000 1.147 235 A CB -2.363 16.634 19.000 -0.005 0.000 1.142 235 A HN 1.267 nan 8.150 nan 0.000 0.682 236 L N -1.557 119.670 121.223 0.007 0.000 2.187 236 L HA 0.363 4.702 4.340 -0.000 0.000 0.213 236 L C 3.020 179.902 176.870 0.020 0.000 1.100 236 L CA 2.949 57.796 54.840 0.011 0.000 0.765 236 L CB -2.364 39.701 42.059 0.010 0.000 0.904 236 L HN 2.059 nan 8.230 nan 0.000 0.437 237 A N 0.114 122.948 122.820 0.024 0.000 2.194 237 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 237 A C 2.690 180.293 177.584 0.031 0.000 1.162 237 A CA 1.684 53.746 52.037 0.041 0.000 0.674 237 A CB -1.462 17.558 19.000 0.034 0.000 0.789 237 A HN 1.069 nan 8.150 nan 0.000 0.470 238 G N -0.077 108.731 108.800 0.013 0.000 2.721 238 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.218 238 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.218 238 G C 1.686 176.602 174.900 0.026 0.000 1.265 238 G CA 2.542 47.647 45.100 0.008 0.000 0.796 238 G HN 0.940 nan 8.290 nan 0.000 0.620 239 K N -0.025 120.394 120.400 0.031 0.000 2.588 239 K HA 0.154 4.474 4.320 -0.000 0.000 0.196 239 K C 2.260 178.901 176.600 0.069 0.000 1.044 239 K CA 1.716 58.029 56.287 0.043 0.000 0.934 239 K CB -0.726 31.794 32.500 0.033 0.000 0.773 239 K HN 0.383 nan 8.250 nan 0.000 0.489 240 V N -0.460 119.505 119.914 0.085 0.000 2.825 240 V HA 0.106 4.226 4.120 -0.000 0.000 0.246 240 V C 1.761 177.947 176.094 0.153 0.000 1.068 240 V CA 0.777 63.156 62.300 0.131 0.000 1.088 240 V CB 0.038 31.991 31.823 0.218 0.000 0.733 240 V HN 0.536 nan 8.190 nan 0.000 0.468 241 L N -0.085 121.206 121.223 0.113 0.000 2.872 241 L HA 0.266 4.606 4.340 -0.000 0.000 0.245 241 L C 2.102 179.045 176.870 0.121 0.000 1.211 241 L CA -0.099 54.806 54.840 0.108 0.000 1.013 241 L CB -0.235 41.841 42.059 0.029 0.000 1.326 241 L HN 0.259 nan 8.230 nan 0.000 0.525 242 R N 0.309 120.887 120.500 0.130 0.000 2.190 242 R HA -0.259 4.081 4.340 -0.000 0.000 0.255 242 R C 1.762 178.098 176.300 0.059 0.000 1.143 242 R CA 1.969 58.118 56.100 0.082 0.000 0.965 242 R CB -0.694 29.658 30.300 0.086 0.000 0.889 242 R HN 0.226 nan 8.270 nan 0.000 0.448 243 F N 0.609 120.566 119.950 0.011 0.000 2.293 243 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 243 F C 2.805 178.635 175.800 0.050 0.000 1.089 243 F CA 1.119 59.125 58.000 0.009 0.000 1.377 243 F CB -0.297 38.686 39.000 -0.028 0.000 1.051 243 F HN -0.017 nan 8.300 nan 0.000 0.511 244 Q N 1.150 121.090 119.800 0.232 0.000 2.119 244 Q HA -0.153 4.186 4.340 -0.000 0.000 0.201 244 Q C 1.873 177.988 176.000 0.192 0.000 0.972 244 Q CA 1.744 57.675 55.803 0.214 0.000 0.847 244 Q CB -0.217 28.603 28.738 0.137 0.000 0.903 244 Q HN 0.279 nan 8.270 nan 0.000 0.433 245 K N -0.509 119.954 120.400 0.105 0.000 2.103 245 K HA 0.029 4.349 4.320 -0.000 0.000 0.204 245 K C 2.026 178.642 176.600 0.026 0.000 1.052 245 K CA 1.023 57.340 56.287 0.050 0.000 0.945 245 K CB -0.207 32.304 32.500 0.017 0.000 0.722 245 K HN 0.220 nan 8.250 nan 0.000 0.443 246 A N 1.528 124.354 122.820 0.010 0.000 1.930 246 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 246 A C 1.962 179.568 177.584 0.037 0.000 1.175 246 A CA 0.917 52.928 52.037 -0.044 0.000 0.627 246 A CB -0.590 18.299 19.000 -0.184 0.000 0.815 246 A HN 0.330 nan 8.150 nan 0.000 0.443 247 F N 0.804 120.715 119.950 -0.066 0.000 2.186 247 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 247 F C 1.795 177.555 175.800 -0.066 0.000 1.090 247 F CA 1.255 59.214 58.000 -0.069 0.000 1.307 247 F CB -0.374 38.603 39.000 -0.039 0.000 1.019 247 F HN 0.136 nan 8.300 nan 0.000 0.489 248 L N -0.562 120.557 121.223 -0.173 0.000 2.046 248 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 248 L C 2.301 179.053 176.870 -0.198 0.000 1.077 248 L CA 1.796 56.474 54.840 -0.269 0.000 0.747 248 L CB -1.371 40.627 42.059 -0.102 0.000 0.896 248 L HN 0.090 nan 8.230 nan 0.000 0.432 249 T N -1.167 113.321 114.554 -0.110 0.000 2.803 249 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 249 T C 1.878 176.523 174.700 -0.090 0.000 1.052 249 T CA 1.255 63.305 62.100 -0.083 0.000 1.136 249 T CB -0.114 68.720 68.868 -0.057 0.000 0.864 249 T HN 0.337 nan 8.240 nan 0.000 0.467 250 Q N 0.000 119.736 119.800 -0.107 0.000 2.137 250 Q HA 0.063 4.403 4.340 -0.000 0.000 0.198 250 Q C 2.302 178.232 176.000 -0.117 0.000 0.960 250 Q CA 0.651 56.402 55.803 -0.088 0.000 0.847 250 Q CB -0.098 28.605 28.738 -0.057 0.000 0.915 250 Q HN 0.500 nan 8.270 nan 0.000 0.448 251 L N 0.646 121.735 121.223 -0.223 0.000 1.976 251 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 251 L C 2.287 179.088 176.870 -0.116 0.000 1.071 251 L CA 1.488 56.201 54.840 -0.212 0.000 0.746 251 L CB -0.741 41.096 42.059 -0.370 0.000 0.890 251 L HN 0.270 nan 8.230 nan 0.000 0.432 252 D N 0.384 120.707 120.400 -0.128 0.000 2.242 252 D HA -0.311 4.329 4.640 -0.000 0.000 0.190 252 D C 2.002 178.277 176.300 -0.041 0.000 1.012 252 D CA 2.233 56.184 54.000 -0.082 0.000 0.875 252 D CB 0.031 40.785 40.800 -0.077 0.000 0.922 252 D HN 0.608 nan 8.370 nan 0.000 0.448 253 E N -0.518 119.663 120.200 -0.032 0.000 2.190 253 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 253 E C 2.559 179.172 176.600 0.023 0.000 0.978 253 E CA 0.134 56.532 56.400 -0.003 0.000 0.839 253 E CB -0.527 29.171 29.700 -0.004 0.000 0.787 253 E HN 0.346 nan 8.360 nan 0.000 0.473 254 L N 1.005 122.242 121.223 0.023 0.000 2.046 254 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 254 L C 2.566 179.485 176.870 0.081 0.000 1.077 254 L CA 1.125 56.006 54.840 0.068 0.000 0.747 254 L CB -0.410 41.705 42.059 0.094 0.000 0.896 254 L HN 0.260 nan 8.230 nan 0.000 0.432 255 L N -4.396 116.864 121.223 0.061 0.000 2.341 255 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 255 L C 2.223 179.143 176.870 0.083 0.000 1.115 255 L CA 1.177 56.074 54.840 0.093 0.000 0.820 255 L CB -1.639 40.441 42.059 0.036 0.000 0.944 255 L HN -0.111 nan 8.230 nan 0.000 0.452 256 T N 0.868 115.451 114.554 0.049 0.000 2.788 256 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 256 T C 1.671 176.420 174.700 0.082 0.000 1.044 256 T CA 1.883 64.013 62.100 0.050 0.000 1.139 256 T CB -0.213 68.673 68.868 0.029 0.000 0.867 256 T HN 0.783 nan 8.240 nan 0.000 0.454 257 E N -0.520 119.736 120.200 0.094 0.000 2.371 257 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 257 E C 1.882 178.585 176.600 0.172 0.000 1.012 257 E CA 0.631 57.095 56.400 0.107 0.000 0.860 257 E CB -0.313 29.434 29.700 0.079 0.000 0.811 257 E HN 0.437 nan 8.360 nan 0.000 0.502 258 H N 2.320 121.422 119.070 0.052 0.000 2.389 258 H HA 0.051 4.607 4.556 -0.000 0.000 0.299 258 H C 2.033 177.434 175.328 0.121 0.000 1.081 258 H CA 1.603 57.691 56.048 0.065 0.000 1.345 258 H CB -0.016 29.766 29.762 0.034 0.000 1.393 258 H HN 0.136 nan 8.280 nan 0.000 0.520 259 R N -0.477 120.108 120.500 0.142 0.000 2.159 259 R HA -0.098 4.241 4.340 -0.000 0.000 0.237 259 R C 1.798 178.240 176.300 0.236 0.000 1.131 259 R CA 1.582 57.762 56.100 0.133 0.000 0.982 259 R CB 0.049 30.406 30.300 0.095 0.000 0.868 259 R HN 0.363 nan 8.270 nan 0.000 0.453 260 M N -1.756 117.953 119.600 0.181 0.000 2.447 260 M HA 0.028 4.507 4.480 -0.000 0.000 0.266 260 M C 1.948 178.332 176.300 0.141 0.000 1.120 260 M CA 0.943 56.329 55.300 0.144 0.000 1.166 260 M CB 0.127 32.788 32.600 0.102 0.000 1.349 260 M HN -0.006 nan 8.290 nan 0.000 0.463 261 T N 0.395 115.057 114.554 0.181 0.000 2.737 261 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 261 T C 0.104 174.919 174.700 0.192 0.000 1.040 261 T CA 1.104 63.316 62.100 0.188 0.000 1.142 261 T CB -0.301 68.733 68.868 0.276 0.000 0.861 261 T HN 0.500 nan 8.240 nan 0.000 0.456 262 W N 3.621 124.922 121.300 0.003 0.000 2.308 262 W HA 0.250 4.910 4.660 -0.000 0.000 0.324 262 W C -0.437 176.075 176.519 -0.012 0.000 1.387 262 W CA -1.310 56.011 57.345 -0.040 0.000 1.250 262 W CB 0.207 29.585 29.460 -0.136 0.000 1.257 262 W HN -0.094 nan 8.180 nan 0.000 0.554 263 D N 8.837 128.956 120.400 -0.468 0.000 2.411 263 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 263 D C -1.189 174.512 176.300 -0.998 0.000 1.156 263 D CA -2.044 51.618 54.000 -0.563 0.000 0.874 263 D CB 1.478 42.143 40.800 -0.224 0.000 1.034 263 D HN 0.260 nan 8.370 nan 0.000 0.502 264 P HA -0.052 nan 4.420 nan 0.000 0.225 264 P C 0.420 177.467 177.300 -0.422 0.000 1.148 264 P CA 0.406 62.772 63.100 -1.224 0.000 0.779 264 P CB 0.307 31.411 31.700 -0.995 0.000 0.780 265 A N -0.579 122.055 122.820 -0.311 0.000 2.833 265 A HA 0.261 4.581 4.320 -0.000 0.000 0.293 265 A C 0.480 178.011 177.584 -0.089 0.000 1.338 265 A CA -0.080 51.868 52.037 -0.149 0.000 0.959 265 A CB -0.264 18.661 19.000 -0.126 0.000 1.094 265 A HN 0.095 nan 8.150 nan 0.000 0.569 266 Q N 0.422 120.184 119.800 -0.063 0.000 2.482 266 Q HA 0.318 4.658 4.340 -0.000 0.000 0.286 266 Q C -2.954 173.087 176.000 0.067 0.000 1.007 266 Q CA -1.930 53.871 55.803 -0.002 0.000 0.801 266 Q CB 2.709 31.440 28.738 -0.011 0.000 1.455 266 Q HN 0.206 nan 8.270 nan 0.000 0.398 267 P HA 0.120 nan 4.420 nan 0.000 0.266 267 P C -2.510 174.879 177.300 0.149 0.000 1.215 267 P CA -0.852 62.306 63.100 0.097 0.000 0.763 267 P CB -0.497 31.242 31.700 0.065 0.000 0.806 268 P HA -0.008 nan 4.420 nan 0.000 0.263 268 P C 1.063 178.482 177.300 0.198 0.000 1.168 268 P CA 0.437 63.678 63.100 0.235 0.000 0.759 268 P CB 0.450 32.265 31.700 0.192 0.000 0.782 269 R N 1.396 122.037 120.500 0.235 0.000 2.128 269 R HA 0.063 4.403 4.340 -0.000 0.000 0.211 269 R C 0.446 176.947 176.300 0.335 0.000 1.067 269 R CA 0.961 57.215 56.100 0.257 0.000 1.010 269 R CB -0.033 30.429 30.300 0.270 0.000 0.922 269 R HN 0.649 nan 8.270 nan 0.000 0.457 270 D N -1.545 119.043 120.400 0.314 0.000 2.732 270 D HA 0.056 4.696 4.640 -0.000 0.000 0.292 270 D C 0.536 176.986 176.300 0.249 0.000 1.135 270 D CA -0.769 53.442 54.000 0.352 0.000 1.071 270 D CB 0.475 41.436 40.800 0.268 0.000 1.457 270 D HN -0.148 nan 8.370 nan 0.000 0.547 271 L N -0.518 120.849 121.223 0.240 0.000 2.083 271 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 271 L C 1.772 178.833 176.870 0.318 0.000 1.083 271 L CA 1.784 56.775 54.840 0.252 0.000 0.752 271 L CB -0.489 41.700 42.059 0.216 0.000 0.899 271 L HN 0.577 nan 8.230 nan 0.000 0.433 272 T N -0.501 114.172 114.554 0.198 0.000 2.684 272 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 272 T C 1.646 176.303 174.700 -0.071 0.000 1.036 272 T CA 1.735 63.884 62.100 0.080 0.000 1.148 272 T CB -0.274 68.647 68.868 0.089 0.000 0.863 272 T HN 0.461 nan 8.240 nan 0.000 0.436 273 E N 1.341 121.446 120.200 -0.159 0.000 2.058 273 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 273 E C 2.653 179.128 176.600 -0.208 0.000 0.997 273 E CA 1.184 57.336 56.400 -0.414 0.000 0.801 273 E CB -0.321 29.311 29.700 -0.112 0.000 0.746 273 E HN 0.509 nan 8.360 nan 0.000 0.450 274 A N 0.962 123.838 122.820 0.093 0.000 1.978 274 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 274 A C 1.957 179.678 177.584 0.230 0.000 1.170 274 A CA 1.075 53.243 52.037 0.219 0.000 0.636 274 A CB -0.725 18.462 19.000 0.312 0.000 0.810 274 A HN 0.283 nan 8.150 nan 0.000 0.448 275 F N 0.299 120.303 119.950 0.090 0.000 2.113 275 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 275 F C 1.986 177.596 175.800 -0.317 0.000 1.103 275 F CA 1.701 59.562 58.000 -0.231 0.000 1.248 275 F CB -0.145 38.767 39.000 -0.148 0.000 0.999 275 F HN 0.138 nan 8.300 nan 0.000 0.475 276 L N -0.165 120.960 121.223 -0.163 0.000 2.042 276 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 276 L C 2.774 179.418 176.870 -0.377 0.000 1.076 276 L CA 1.133 55.709 54.840 -0.440 0.000 0.749 276 L CB -1.240 40.108 42.059 -1.186 0.000 0.893 276 L HN 0.234 nan 8.230 nan 0.000 0.432 277 A N 0.100 122.747 122.820 -0.289 0.000 1.865 277 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 277 A C 2.198 179.679 177.584 -0.173 0.000 1.191 277 A CA 1.998 54.031 52.037 -0.007 0.000 0.623 277 A CB -0.582 18.473 19.000 0.092 0.000 0.826 277 A HN 0.379 nan 8.150 nan 0.000 0.444 278 E N -0.851 119.110 120.200 -0.398 0.000 2.333 278 E HA -0.152 4.198 4.350 -0.000 0.000 0.198 278 E C 1.804 177.963 176.600 -0.735 0.000 1.007 278 E CA 1.224 57.176 56.400 -0.747 0.000 0.845 278 E CB -0.269 28.580 29.700 -1.418 0.000 0.766 278 E HN 0.661 nan 8.360 nan 0.000 0.507 279 M N -0.454 118.870 119.600 -0.461 0.000 2.134 279 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 279 M C 2.022 178.257 176.300 -0.110 0.000 1.076 279 M CA 1.658 56.825 55.300 -0.222 0.000 1.143 279 M CB 0.005 32.562 32.600 -0.071 0.000 1.346 279 M HN -0.032 nan 8.290 nan 0.000 0.421 280 E N 0.753 120.923 120.200 -0.051 0.000 2.118 280 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 280 E C 1.675 178.255 176.600 -0.033 0.000 0.992 280 E CA 1.849 58.254 56.400 0.008 0.000 0.804 280 E CB -0.096 29.659 29.700 0.091 0.000 0.741 280 E HN 0.383 nan 8.360 nan 0.000 0.458 281 K N -0.437 119.913 120.400 -0.083 0.000 2.000 281 K HA -0.150 4.170 4.320 -0.000 0.000 0.218 281 K C 1.919 178.465 176.600 -0.089 0.000 1.053 281 K CA 1.877 58.104 56.287 -0.101 0.000 0.946 281 K CB -0.389 32.010 32.500 -0.168 0.000 0.723 281 K HN 0.224 nan 8.250 nan 0.000 0.446 282 A N 1.170 123.919 122.820 -0.119 0.000 2.238 282 A HA -0.062 4.257 4.320 -0.000 0.000 0.208 282 A C 1.553 179.121 177.584 -0.027 0.000 1.177 282 A CA 0.956 52.954 52.037 -0.065 0.000 0.804 282 A CB -0.350 18.619 19.000 -0.051 0.000 0.823 282 A HN 0.401 nan 8.150 nan 0.000 0.482 283 K N 0.147 120.533 120.400 -0.025 0.000 2.163 283 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 283 K C 1.621 178.220 176.600 -0.001 0.000 1.048 283 K CA 2.204 58.489 56.287 -0.004 0.000 0.928 283 K CB -1.436 31.065 32.500 0.002 0.000 0.716 283 K HN 0.223 nan 8.250 nan 0.000 0.459 284 G N 1.307 110.104 108.800 -0.006 0.000 2.736 284 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.214 284 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.214 284 G C 0.291 175.190 174.900 -0.000 0.000 1.327 284 G CA 0.517 45.615 45.100 -0.003 0.000 0.818 284 G HN 0.518 nan 8.290 nan 0.000 0.611 285 N N 2.037 120.736 118.700 -0.001 0.000 1.923 285 N HA -0.069 4.671 4.740 -0.000 0.000 0.305 285 N C -0.861 174.653 175.510 0.006 0.000 1.339 285 N CA -0.296 52.756 53.050 0.003 0.000 0.825 285 N CB 1.202 39.692 38.487 0.005 0.000 1.095 285 N HN 0.095 nan 8.380 nan 0.000 0.498 286 P HA -0.098 nan 4.420 nan 0.000 0.218 286 P C 0.033 177.336 177.300 0.005 0.000 1.149 286 P CA 1.258 64.361 63.100 0.006 0.000 0.817 286 P CB 0.534 32.236 31.700 0.005 0.000 0.785 287 E N -0.228 119.974 120.200 0.003 0.000 3.837 287 E HA 0.383 4.733 4.350 -0.000 0.000 0.280 287 E C -0.203 176.398 176.600 0.002 0.000 1.282 287 E CA -0.501 55.898 56.400 -0.001 0.000 1.431 287 E CB 0.177 29.875 29.700 -0.004 0.000 1.509 287 E HN 0.025 nan 8.360 nan 0.000 0.728 288 S N -0.901 114.794 115.700 -0.007 0.000 2.915 288 S HA -0.119 4.351 4.470 -0.000 0.000 0.856 288 S C 0.132 174.703 174.600 -0.049 0.000 0.921 288 S CA 0.347 58.547 58.200 0.001 0.000 1.422 288 S CB -1.183 62.054 63.200 0.062 0.000 1.018 288 S HN 0.706 nan 8.310 nan 0.000 0.230 289 S N 3.354 118.952 115.700 -0.170 0.000 2.671 289 S HA 0.314 4.784 4.470 -0.000 0.000 0.220 289 S C 0.231 174.619 174.600 -0.353 0.000 0.951 289 S CA -0.158 57.886 58.200 -0.260 0.000 0.932 289 S CB -0.553 62.449 63.200 -0.329 0.000 0.777 289 S HN 0.636 nan 8.310 nan 0.000 0.508 290 F N 3.768 123.615 119.950 -0.172 0.000 2.606 290 F HA 0.398 4.925 4.527 -0.000 0.000 0.347 290 F C 0.633 176.412 175.800 -0.034 0.000 1.207 290 F CA -0.870 56.950 58.000 -0.300 0.000 1.306 290 F CB -0.130 38.524 39.000 -0.577 0.000 1.657 290 F HN 0.220 nan 8.300 nan 0.000 0.606 291 N N 0.158 118.976 118.700 0.196 0.000 2.530 291 N HA 0.177 4.916 4.740 -0.000 0.000 0.283 291 N C 0.338 175.950 175.510 0.170 0.000 1.238 291 N CA -0.546 52.589 53.050 0.141 0.000 0.971 291 N CB 0.686 39.203 38.487 0.050 0.000 1.195 291 N HN 0.129 nan 8.380 nan 0.000 0.583 292 D N 0.455 120.897 120.400 0.070 0.000 2.117 292 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 292 D C 1.323 177.593 176.300 -0.050 0.000 0.982 292 D CA 1.109 55.110 54.000 0.001 0.000 0.828 292 D CB 0.070 40.870 40.800 -0.000 0.000 0.967 292 D HN 0.494 nan 8.370 nan 0.000 0.464 293 E N 0.558 120.740 120.200 -0.031 0.000 2.086 293 E HA -0.274 4.076 4.350 -0.000 0.000 0.205 293 E C 1.788 178.325 176.600 -0.106 0.000 1.027 293 E CA 1.081 57.448 56.400 -0.056 0.000 0.830 293 E CB -0.431 29.246 29.700 -0.039 0.000 0.751 293 E HN 0.454 nan 8.360 nan 0.000 0.456 294 N N -0.040 118.603 118.700 -0.095 0.000 2.376 294 N HA -0.098 4.642 4.740 -0.000 0.000 0.177 294 N C 2.030 177.390 175.510 -0.250 0.000 1.024 294 N CA 0.046 53.012 53.050 -0.141 0.000 0.893 294 N CB 0.101 38.550 38.487 -0.064 0.000 0.980 294 N HN -0.021 nan 8.380 nan 0.000 0.439 295 L N 2.658 123.638 121.223 -0.405 0.000 1.990 295 L HA -0.224 4.115 4.340 -0.000 0.000 0.213 295 L C 2.334 178.933 176.870 -0.452 0.000 1.072 295 L CA 1.818 56.140 54.840 -0.863 0.000 0.755 295 L CB -0.602 40.950 42.059 -0.844 0.000 0.889 295 L HN 0.182 nan 8.230 nan 0.000 0.432 296 R N -0.476 119.855 120.500 -0.281 0.000 2.115 296 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 296 R C 2.150 178.355 176.300 -0.159 0.000 1.111 296 R CA 1.955 57.936 56.100 -0.199 0.000 0.976 296 R CB -1.000 29.200 30.300 -0.167 0.000 0.870 296 R HN 0.490 nan 8.270 nan 0.000 0.445 297 I N 1.164 121.641 120.570 -0.154 0.000 2.286 297 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 297 I C 2.209 178.300 176.117 -0.043 0.000 1.104 297 I CA 0.789 62.028 61.300 -0.101 0.000 1.397 297 I CB -0.242 37.617 38.000 -0.235 0.000 1.072 297 I HN -0.030 nan 8.210 nan 0.000 0.417 298 V N 0.741 120.603 119.914 -0.087 0.000 2.343 298 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 298 V C 2.483 178.613 176.094 0.060 0.000 1.051 298 V CA 1.622 63.921 62.300 -0.002 0.000 1.036 298 V CB -0.443 31.367 31.823 -0.023 0.000 0.654 298 V HN 0.247 nan 8.190 nan 0.000 0.451 299 V N 0.219 120.143 119.914 0.016 0.000 2.358 299 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 299 V C 2.719 178.967 176.094 0.258 0.000 1.047 299 V CA 1.775 64.153 62.300 0.131 0.000 1.035 299 V CB -1.193 30.688 31.823 0.096 0.000 0.658 299 V HN 0.542 nan 8.190 nan 0.000 0.452 300 A N 0.275 123.161 122.820 0.111 0.000 1.892 300 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 300 A C 1.970 179.757 177.584 0.338 0.000 1.188 300 A CA 2.389 54.522 52.037 0.160 0.000 0.631 300 A CB -0.804 18.191 19.000 -0.008 0.000 0.822 300 A HN 0.532 nan 8.150 nan 0.000 0.447 301 D N -0.087 120.453 120.400 0.234 0.000 2.116 301 D HA -0.148 4.492 4.640 -0.000 0.000 0.193 301 D C 1.922 178.354 176.300 0.220 0.000 0.998 301 D CA 1.220 55.351 54.000 0.218 0.000 0.836 301 D CB -0.403 40.540 40.800 0.238 0.000 0.951 301 D HN 0.448 nan 8.370 nan 0.000 0.449 302 L N -0.575 120.781 121.223 0.221 0.000 2.012 302 L HA -0.199 4.140 4.340 -0.000 0.000 0.210 302 L C 2.364 179.326 176.870 0.153 0.000 1.073 302 L CA 0.928 55.867 54.840 0.165 0.000 0.748 302 L CB -0.388 41.736 42.059 0.108 0.000 0.891 302 L HN 0.008 nan 8.230 nan 0.000 0.431 303 F N 0.308 120.371 119.950 0.188 0.000 2.075 303 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 303 F C 2.911 178.797 175.800 0.142 0.000 1.113 303 F CA 1.955 60.084 58.000 0.215 0.000 1.218 303 F CB -0.518 38.701 39.000 0.366 0.000 0.984 303 F HN 0.136 nan 8.300 nan 0.000 0.472 304 S N 0.029 115.928 115.700 0.332 0.000 2.345 304 S HA -0.115 4.355 4.470 -0.000 0.000 0.219 304 S C 2.290 176.910 174.600 0.034 0.000 1.031 304 S CA 0.704 58.971 58.200 0.112 0.000 0.984 304 S CB -1.283 61.939 63.200 0.036 0.000 0.874 304 S HN 0.293 nan 8.310 nan 0.000 0.451 305 A N 2.286 125.106 122.820 -0.001 0.000 1.908 305 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 305 A C 2.327 179.980 177.584 0.116 0.000 1.181 305 A CA 1.875 53.922 52.037 0.017 0.000 0.627 305 A CB -1.770 17.297 19.000 0.111 0.000 0.818 305 A HN 0.612 nan 8.150 nan 0.000 0.445 306 G N -0.624 108.255 108.800 0.131 0.000 2.505 306 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 306 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 306 G C 1.681 176.656 174.900 0.126 0.000 1.237 306 G CA 1.308 46.486 45.100 0.131 0.000 0.802 306 G HN 0.557 nan 8.290 nan 0.000 0.549 307 M N 0.355 120.028 119.600 0.122 0.000 2.255 307 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 307 M C 2.494 178.849 176.300 0.092 0.000 1.069 307 M CA 2.668 58.040 55.300 0.119 0.000 1.089 307 M CB -0.617 32.075 32.600 0.153 0.000 1.269 307 M HN 0.112 nan 8.290 nan 0.000 0.434 308 V N 0.956 120.911 119.914 0.069 0.000 2.343 308 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 308 V C 2.474 178.614 176.094 0.077 0.000 1.051 308 V CA 2.890 65.219 62.300 0.049 0.000 1.036 308 V CB -0.970 30.865 31.823 0.020 0.000 0.654 308 V HN 0.924 nan 8.190 nan 0.000 0.451 309 T N -2.256 112.356 114.554 0.097 0.000 2.652 309 T HA -0.223 4.126 4.350 -0.000 0.000 0.267 309 T C 1.837 176.611 174.700 0.124 0.000 1.039 309 T CA 2.272 64.439 62.100 0.111 0.000 1.153 309 T CB -1.245 67.696 68.868 0.122 0.000 0.863 309 T HN 0.539 nan 8.240 nan 0.000 0.428 310 T N 1.695 116.334 114.554 0.142 0.000 2.821 310 T HA -0.058 4.292 4.350 -0.000 0.000 0.267 310 T C 2.341 177.123 174.700 0.137 0.000 1.046 310 T CA 1.345 63.544 62.100 0.166 0.000 1.139 310 T CB -0.620 68.368 68.868 0.200 0.000 0.871 310 T HN 0.510 nan 8.240 nan 0.000 0.454 311 S N 0.915 116.674 115.700 0.098 0.000 2.368 311 S HA -0.150 4.319 4.470 -0.000 0.000 0.225 311 S C 2.167 176.814 174.600 0.079 0.000 1.030 311 S CA 1.825 60.060 58.200 0.058 0.000 0.999 311 S CB -0.788 62.425 63.200 0.023 0.000 0.844 311 S HN 0.566 nan 8.310 nan 0.000 0.459 312 T N 1.265 115.882 114.554 0.106 0.000 2.821 312 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 312 T C 1.915 176.773 174.700 0.263 0.000 1.046 312 T CA 1.710 63.895 62.100 0.142 0.000 1.139 312 T CB -0.883 68.091 68.868 0.177 0.000 0.871 312 T HN 0.499 nan 8.240 nan 0.000 0.454 313 T N 2.945 117.650 114.554 0.252 0.000 2.643 313 T HA -0.008 4.342 4.350 -0.000 0.000 0.264 313 T C 2.022 176.869 174.700 0.245 0.000 1.045 313 T CA 1.031 63.291 62.100 0.268 0.000 1.155 313 T CB -0.676 68.282 68.868 0.150 0.000 0.863 313 T HN 0.238 nan 8.240 nan 0.000 0.420 314 L N 0.990 122.326 121.223 0.189 0.000 2.051 314 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 314 L C 3.041 180.018 176.870 0.178 0.000 1.076 314 L CA 1.421 56.376 54.840 0.193 0.000 0.758 314 L CB -0.788 41.366 42.059 0.158 0.000 0.890 314 L HN 0.274 nan 8.230 nan 0.000 0.433 315 A N -0.719 122.183 122.820 0.136 0.000 1.902 315 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 315 A C 1.948 179.576 177.584 0.074 0.000 1.181 315 A CA 1.625 53.725 52.037 0.104 0.000 0.623 315 A CB -1.006 17.994 19.000 0.000 0.000 0.818 315 A HN 0.523 nan 8.150 nan 0.000 0.443 316 W N -0.163 121.185 121.300 0.080 0.000 2.358 316 W HA -0.026 4.634 4.660 -0.000 0.000 0.303 316 W C 2.547 179.047 176.519 -0.032 0.000 1.208 316 W CA 1.121 58.481 57.345 0.025 0.000 1.274 316 W CB -0.539 28.960 29.460 0.066 0.000 1.138 316 W HN 0.406 nan 8.180 nan 0.000 0.515 317 G N 0.689 109.638 108.800 0.248 0.000 2.514 317 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.217 317 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.217 317 G C 1.399 176.424 174.900 0.209 0.000 1.198 317 G CA 1.475 46.695 45.100 0.199 0.000 0.780 317 G HN 0.196 nan 8.290 nan 0.000 0.565 318 L N -0.067 121.226 121.223 0.115 0.000 2.046 318 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 318 L C 2.742 179.491 176.870 -0.202 0.000 1.077 318 L CA 0.853 55.633 54.840 -0.098 0.000 0.747 318 L CB -0.659 41.292 42.059 -0.180 0.000 0.896 318 L HN 0.273 nan 8.230 nan 0.000 0.432 319 L N 0.254 121.260 121.223 -0.361 0.000 1.989 319 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 319 L C 2.345 178.983 176.870 -0.387 0.000 1.071 319 L CA 1.791 56.201 54.840 -0.717 0.000 0.749 319 L CB -0.486 40.945 42.059 -1.047 0.000 0.890 319 L HN 0.088 nan 8.230 nan 0.000 0.431 320 L N -1.211 119.858 121.223 -0.256 0.000 2.191 320 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 320 L C 2.434 179.178 176.870 -0.210 0.000 1.103 320 L CA 0.721 55.352 54.840 -0.348 0.000 0.769 320 L CB -0.553 41.090 42.059 -0.693 0.000 0.908 320 L HN 0.363 nan 8.230 nan 0.000 0.438 321 M N -0.177 119.379 119.600 -0.073 0.000 2.099 321 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 321 M C 2.376 178.699 176.300 0.039 0.000 1.067 321 M CA 1.653 56.994 55.300 0.068 0.000 1.124 321 M CB -0.802 31.872 32.600 0.123 0.000 1.353 321 M HN 0.338 nan 8.290 nan 0.000 0.410 322 I N -2.877 117.667 120.570 -0.042 0.000 2.928 322 I HA -0.127 4.043 4.170 -0.000 0.000 0.266 322 I C 1.759 177.797 176.117 -0.131 0.000 1.234 322 I CA 0.888 62.165 61.300 -0.038 0.000 1.483 322 I CB -0.304 37.673 38.000 -0.038 0.000 1.097 322 I HN 0.075 nan 8.210 nan 0.000 0.455 323 L N 0.812 121.889 121.223 -0.244 0.000 2.446 323 L HA 0.173 4.513 4.340 -0.000 0.000 0.219 323 L C 0.600 177.074 176.870 -0.660 0.000 1.116 323 L CA 1.116 55.694 54.840 -0.437 0.000 0.844 323 L CB -0.606 41.142 42.059 -0.519 0.000 0.970 323 L HN 0.329 nan 8.230 nan 0.000 0.457 324 H N -0.716 118.339 119.070 -0.025 0.000 2.429 324 H HA 0.289 4.845 4.556 -0.000 0.000 0.231 324 H C -1.802 173.589 175.328 0.105 0.000 1.416 324 H CA -1.433 54.654 56.048 0.065 0.000 1.443 324 H CB 0.757 30.601 29.762 0.137 0.000 1.591 324 H HN 0.050 nan 8.280 nan 0.000 0.507 325 P HA -0.190 nan 4.420 nan 0.000 0.219 325 P C 1.168 178.563 177.300 0.159 0.000 1.146 325 P CA 1.079 64.259 63.100 0.134 0.000 0.808 325 P CB 0.470 32.222 31.700 0.088 0.000 0.779 326 D N 0.515 121.017 120.400 0.171 0.000 2.160 326 D HA -0.165 4.475 4.640 -0.000 0.000 0.189 326 D C 1.935 178.356 176.300 0.201 0.000 1.003 326 D CA 1.359 55.458 54.000 0.166 0.000 0.846 326 D CB -1.286 39.615 40.800 0.170 0.000 0.949 326 D HN 0.084 nan 8.370 nan 0.000 0.446 327 V N 1.113 121.198 119.914 0.286 0.000 2.427 327 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 327 V C 2.890 179.200 176.094 0.360 0.000 1.051 327 V CA 1.811 64.340 62.300 0.380 0.000 1.048 327 V CB -0.812 31.289 31.823 0.463 0.000 0.666 327 V HN 0.236 nan 8.190 nan 0.000 0.456 328 Q N 0.134 120.108 119.800 0.290 0.000 2.045 328 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 328 Q C 2.513 178.633 176.000 0.200 0.000 0.991 328 Q CA 2.115 58.069 55.803 0.251 0.000 0.851 328 Q CB -0.088 28.779 28.738 0.216 0.000 0.911 328 Q HN 0.563 nan 8.270 nan 0.000 0.418 329 R N -0.270 120.323 120.500 0.153 0.000 2.103 329 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 329 R C 2.466 178.815 176.300 0.082 0.000 1.142 329 R CA 1.824 57.983 56.100 0.099 0.000 0.960 329 R CB -0.270 30.073 30.300 0.071 0.000 0.858 329 R HN 0.271 nan 8.270 nan 0.000 0.439 330 R N 0.165 120.716 120.500 0.085 0.000 2.081 330 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 330 R C 2.347 178.703 176.300 0.094 0.000 1.131 330 R CA 1.466 57.546 56.100 -0.034 0.000 0.960 330 R CB -0.502 29.640 30.300 -0.263 0.000 0.856 330 R HN 0.088 nan 8.270 nan 0.000 0.436 331 V N 1.535 121.640 119.914 0.318 0.000 2.287 331 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 331 V C 2.299 178.512 176.094 0.199 0.000 1.053 331 V CA 1.850 64.369 62.300 0.365 0.000 1.027 331 V CB -0.550 31.507 31.823 0.390 0.000 0.646 331 V HN 0.371 nan 8.190 nan 0.000 0.447 332 Q N -1.019 118.862 119.800 0.136 0.000 2.119 332 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 332 Q C 2.477 178.506 176.000 0.049 0.000 0.972 332 Q CA 1.151 56.998 55.803 0.073 0.000 0.847 332 Q CB -0.234 28.537 28.738 0.056 0.000 0.903 332 Q HN 0.525 nan 8.270 nan 0.000 0.433 333 Q N 0.967 120.792 119.800 0.042 0.000 2.045 333 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 333 Q C 1.831 177.848 176.000 0.028 0.000 0.991 333 Q CA 1.684 57.496 55.803 0.016 0.000 0.851 333 Q CB -0.150 28.578 28.738 -0.016 0.000 0.911 333 Q HN 0.462 nan 8.270 nan 0.000 0.418 334 E N -0.272 119.963 120.200 0.058 0.000 2.106 334 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 334 E C 2.173 178.827 176.600 0.089 0.000 0.984 334 E CA 0.601 57.054 56.400 0.088 0.000 0.806 334 E CB -0.067 29.727 29.700 0.156 0.000 0.750 334 E HN 0.336 nan 8.360 nan 0.000 0.458 335 I N 1.562 122.183 120.570 0.086 0.000 2.208 335 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 335 I C 1.744 177.877 176.117 0.027 0.000 1.097 335 I CA 1.310 62.646 61.300 0.060 0.000 1.363 335 I CB -0.334 37.685 38.000 0.032 0.000 1.051 335 I HN 0.146 nan 8.210 nan 0.000 0.413 336 D N 0.572 120.980 120.400 0.013 0.000 2.178 336 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 336 D C 1.694 177.995 176.300 0.001 0.000 0.974 336 D CA 1.205 55.201 54.000 -0.006 0.000 0.841 336 D CB -0.297 40.496 40.800 -0.012 0.000 0.953 336 D HN 0.349 nan 8.370 nan 0.000 0.478 337 D N -0.634 119.776 120.400 0.015 0.000 2.123 337 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 337 D C 2.119 178.429 176.300 0.017 0.000 0.976 337 D CA 0.547 54.556 54.000 0.015 0.000 0.831 337 D CB 0.381 41.194 40.800 0.023 0.000 0.974 337 D HN 0.017 nan 8.370 nan 0.000 0.469 338 V N -0.010 119.927 119.914 0.038 0.000 2.492 338 V HA 0.025 4.145 4.120 -0.000 0.000 0.241 338 V C 2.021 178.134 176.094 0.032 0.000 1.041 338 V CA 0.815 63.140 62.300 0.043 0.000 1.057 338 V CB -0.085 31.800 31.823 0.102 0.000 0.711 338 V HN 0.151 nan 8.190 nan 0.000 0.468 339 I N -0.455 120.138 120.570 0.038 0.000 2.628 339 I HA 0.458 4.628 4.170 -0.000 0.000 0.255 339 I C 1.393 177.506 176.117 -0.005 0.000 1.119 339 I CA 0.976 62.290 61.300 0.025 0.000 1.448 339 I CB -0.357 37.658 38.000 0.026 0.000 1.133 339 I HN 0.468 nan 8.210 nan 0.000 0.438 340 G N 1.016 109.806 108.800 -0.016 0.000 2.660 340 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 340 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 340 G C 0.003 174.864 174.900 -0.066 0.000 1.345 340 G CA 0.110 45.189 45.100 -0.035 0.000 0.877 340 G HN 0.212 nan 8.290 nan 0.000 0.549 341 Q N -1.442 118.314 119.800 -0.074 0.000 2.246 341 Q HA 0.531 4.871 4.340 -0.000 0.000 0.222 341 Q C 2.228 178.160 176.000 -0.112 0.000 0.851 341 Q CA 1.330 57.065 55.803 -0.113 0.000 0.945 341 Q CB 0.761 29.439 28.738 -0.099 0.000 1.122 341 Q HN 0.613 nan 8.270 nan 0.000 0.508 342 V N 0.091 119.961 119.914 -0.073 0.000 2.490 342 V HA 0.120 4.240 4.120 -0.000 0.000 0.238 342 V C 0.796 176.867 176.094 -0.038 0.000 1.056 342 V CA 0.905 63.175 62.300 -0.051 0.000 1.075 342 V CB -0.108 31.696 31.823 -0.032 0.000 0.746 342 V HN 0.274 nan 8.190 nan 0.000 0.479 343 R N 0.995 121.478 120.500 -0.028 0.000 2.560 343 R HA 0.475 4.815 4.340 -0.000 0.000 0.270 343 R C -0.264 176.033 176.300 -0.005 0.000 1.074 343 R CA -0.657 55.439 56.100 -0.008 0.000 1.140 343 R CB 0.594 30.895 30.300 0.000 0.000 1.073 343 R HN 0.161 nan 8.270 nan 0.000 0.527 344 R N 1.552 122.062 120.500 0.017 0.000 2.347 344 R HA 0.159 4.499 4.340 -0.000 0.000 0.304 344 R C -2.096 174.219 176.300 0.025 0.000 1.072 344 R CA -1.590 54.528 56.100 0.031 0.000 0.980 344 R CB 0.336 30.661 30.300 0.042 0.000 0.986 344 R HN 0.472 nan 8.270 nan 0.000 0.448 345 P HA -0.144 nan 4.420 nan 0.000 0.261 345 P C -0.729 176.609 177.300 0.063 0.000 1.173 345 P CA 0.654 63.765 63.100 0.019 0.000 0.760 345 P CB 0.461 32.107 31.700 -0.089 0.000 0.783 346 E N 2.611 122.897 120.200 0.143 0.000 2.359 346 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 346 E C 0.397 177.159 176.600 0.270 0.000 0.920 346 E CA -0.874 55.619 56.400 0.155 0.000 0.788 346 E CB 0.781 30.533 29.700 0.087 0.000 1.279 346 E HN 0.016 nan 8.360 nan 0.000 0.438 347 M N 1.715 121.426 119.600 0.184 0.000 2.144 347 M HA -0.067 4.413 4.480 -0.000 0.000 0.260 347 M C 1.810 178.107 176.300 -0.005 0.000 1.067 347 M CA 2.495 57.855 55.300 0.100 0.000 1.095 347 M CB -1.024 31.591 32.600 0.025 0.000 1.365 347 M HN 0.873 nan 8.290 nan 0.000 0.406 348 G N -0.483 108.341 108.800 0.039 0.000 2.503 348 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.221 348 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.221 348 G C 1.180 176.129 174.900 0.081 0.000 1.131 348 G CA 1.369 46.493 45.100 0.039 0.000 0.756 348 G HN 0.479 nan 8.290 nan 0.000 0.572 349 D N -0.024 120.469 120.400 0.154 0.000 2.263 349 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 349 D C 2.365 178.732 176.300 0.111 0.000 0.971 349 D CA 1.211 55.352 54.000 0.235 0.000 0.867 349 D CB -0.228 40.780 40.800 0.346 0.000 0.929 349 D HN 0.490 nan 8.370 nan 0.000 0.492 350 Q N 1.502 121.149 119.800 -0.256 0.000 2.045 350 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 350 Q C 2.026 177.826 176.000 -0.333 0.000 0.991 350 Q CA 2.398 57.787 55.803 -0.689 0.000 0.851 350 Q CB -0.538 27.564 28.738 -1.060 0.000 0.911 350 Q HN 0.153 nan 8.270 nan 0.000 0.418 351 A N -0.062 122.579 122.820 -0.297 0.000 2.032 351 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 351 A C 1.465 178.849 177.584 -0.333 0.000 1.165 351 A CA 1.784 53.625 52.037 -0.327 0.000 0.645 351 A CB -0.845 17.919 19.000 -0.394 0.000 0.807 351 A HN 0.666 nan 8.150 nan 0.000 0.453 352 H N -2.103 116.955 119.070 -0.019 0.000 2.529 352 H HA 0.329 4.885 4.556 -0.000 0.000 0.277 352 H C -0.155 175.212 175.328 0.066 0.000 1.004 352 H CA 0.173 56.241 56.048 0.033 0.000 1.167 352 H CB 0.103 29.890 29.762 0.041 0.000 1.445 352 H HN 0.459 nan 8.280 nan 0.000 0.554 353 M N 1.198 120.873 119.600 0.125 0.000 2.488 353 M HA 0.210 4.690 4.480 -0.000 0.000 0.204 353 M C -2.078 174.287 176.300 0.108 0.000 0.969 353 M CA -1.667 53.729 55.300 0.161 0.000 0.720 353 M CB 1.912 34.660 32.600 0.246 0.000 1.427 353 M HN -0.148 nan 8.290 nan 0.000 0.427 354 P HA -0.191 nan 4.420 nan 0.000 0.215 354 P C 1.163 178.567 177.300 0.174 0.000 1.157 354 P CA 1.439 64.636 63.100 0.162 0.000 0.868 354 P CB 0.029 31.867 31.700 0.229 0.000 0.788 355 Y N 0.196 120.555 120.300 0.099 0.000 2.200 355 Y HA -0.178 4.371 4.550 -0.000 0.000 0.290 355 Y C 2.295 178.265 175.900 0.116 0.000 1.137 355 Y CA 1.991 60.153 58.100 0.103 0.000 1.163 355 Y CB -1.077 37.441 38.460 0.096 0.000 0.988 355 Y HN -0.097 nan 8.280 nan 0.000 0.518 356 T N -0.719 113.963 114.554 0.214 0.000 2.708 356 T HA -0.177 4.172 4.350 -0.000 0.000 0.266 356 T C 1.769 176.510 174.700 0.067 0.000 1.037 356 T CA 2.075 64.301 62.100 0.211 0.000 1.146 356 T CB -0.640 68.440 68.868 0.352 0.000 0.865 356 T HN 0.395 nan 8.240 nan 0.000 0.435 357 T N 2.344 116.873 114.554 -0.042 0.000 2.635 357 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 357 T C 2.381 176.878 174.700 -0.338 0.000 1.040 357 T CA 1.375 63.284 62.100 -0.318 0.000 1.156 357 T CB -0.782 67.588 68.868 -0.831 0.000 0.863 357 T HN 0.446 nan 8.240 nan 0.000 0.430 358 A N 1.133 123.829 122.820 -0.207 0.000 1.869 358 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 358 A C 2.640 180.100 177.584 -0.207 0.000 1.203 358 A CA 2.053 54.059 52.037 -0.051 0.000 0.638 358 A CB -1.352 17.651 19.000 0.005 0.000 0.831 358 A HN 0.333 nan 8.150 nan 0.000 0.450 359 V N 0.294 120.049 119.914 -0.265 0.000 2.231 359 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 359 V C 2.476 178.487 176.094 -0.138 0.000 1.054 359 V CA 2.355 64.541 62.300 -0.190 0.000 1.015 359 V CB -0.728 31.037 31.823 -0.096 0.000 0.638 359 V HN 0.603 nan 8.190 nan 0.000 0.444 360 I N -0.764 119.704 120.570 -0.169 0.000 2.151 360 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 360 I C 2.455 178.471 176.117 -0.169 0.000 1.080 360 I CA 2.011 63.171 61.300 -0.232 0.000 1.339 360 I CB -0.669 37.247 38.000 -0.141 0.000 1.039 360 I HN 0.402 nan 8.210 nan 0.000 0.409 361 H N 0.071 118.902 119.070 -0.398 0.000 2.352 361 H HA -0.210 4.346 4.556 -0.000 0.000 0.299 361 H C 2.131 177.211 175.328 -0.413 0.000 1.097 361 H CA 1.697 57.357 56.048 -0.647 0.000 1.311 361 H CB -0.217 28.560 29.762 -1.642 0.000 1.377 361 H HN 0.260 nan 8.280 nan 0.000 0.504 362 E N 0.476 120.555 120.200 -0.202 0.000 2.204 362 E HA -0.102 4.247 4.350 -0.000 0.000 0.195 362 E C 2.110 178.849 176.600 0.231 0.000 0.990 362 E CA 0.678 57.143 56.400 0.108 0.000 0.821 362 E CB -0.249 29.413 29.700 -0.063 0.000 0.750 362 E HN 0.241 nan 8.360 nan 0.000 0.477 363 V N 0.789 120.829 119.914 0.209 0.000 2.295 363 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 363 V C 2.384 178.538 176.094 0.100 0.000 1.049 363 V CA 2.189 64.618 62.300 0.216 0.000 1.024 363 V CB -0.555 31.294 31.823 0.044 0.000 0.648 363 V HN 0.363 nan 8.190 nan 0.000 0.447 364 Q N -0.523 119.308 119.800 0.052 0.000 2.084 364 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 364 Q C 2.530 178.498 176.000 -0.053 0.000 0.978 364 Q CA 1.620 57.417 55.803 -0.010 0.000 0.844 364 Q CB -0.242 28.522 28.738 0.043 0.000 0.898 364 Q HN 0.513 nan 8.270 nan 0.000 0.426 365 R N -0.088 120.453 120.500 0.069 0.000 2.073 365 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 365 R C 2.069 178.269 176.300 -0.167 0.000 1.120 365 R CA 0.938 56.993 56.100 -0.076 0.000 0.967 365 R CB -0.175 30.079 30.300 -0.076 0.000 0.862 365 R HN 0.216 nan 8.270 nan 0.000 0.436 366 F N 0.596 120.442 119.950 -0.173 0.000 2.163 366 F HA 0.071 4.598 4.527 -0.000 0.000 0.297 366 F C 2.015 177.580 175.800 -0.392 0.000 1.094 366 F CA 1.634 59.524 58.000 -0.184 0.000 1.290 366 F CB -0.554 38.490 39.000 0.073 0.000 1.017 366 F HN 0.078 nan 8.300 nan 0.000 0.483 367 G N -0.519 108.097 108.800 -0.307 0.000 2.446 367 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.217 367 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.217 367 G C 0.138 174.510 174.900 -0.879 0.000 1.168 367 G CA 1.015 45.483 45.100 -1.053 0.000 0.771 367 G HN 0.464 nan 8.290 nan 0.000 0.551 368 D N -0.404 119.699 120.400 -0.496 0.000 2.904 368 D HA -0.193 4.446 4.640 -0.000 0.000 0.231 368 D C 1.358 177.506 176.300 -0.254 0.000 1.185 368 D CA 0.791 54.576 54.000 -0.358 0.000 0.783 368 D CB -1.230 39.340 40.800 -0.383 0.000 0.961 368 D HN 0.578 nan 8.370 nan 0.000 0.409 369 I N -1.803 118.660 120.570 -0.179 0.000 2.584 369 I HA -0.002 4.168 4.170 -0.000 0.000 0.255 369 I C 0.645 176.776 176.117 0.023 0.000 1.145 369 I CA 0.165 61.453 61.300 -0.019 0.000 1.462 369 I CB 0.172 38.211 38.000 0.065 0.000 1.102 369 I HN 0.057 nan 8.210 nan 0.000 0.433 370 V N 1.733 121.629 119.914 -0.030 0.000 2.233 370 V HA 0.352 4.471 4.120 -0.000 0.000 0.261 370 V C -1.878 174.180 176.094 -0.059 0.000 1.076 370 V CA -1.125 61.169 62.300 -0.009 0.000 1.001 370 V CB -0.096 31.742 31.823 0.026 0.000 1.206 370 V HN 0.090 nan 8.190 nan 0.000 0.468 371 P HA 0.002 nan 4.420 nan 0.000 0.221 371 P C 1.116 178.372 177.300 -0.074 0.000 1.150 371 P CA 1.068 64.134 63.100 -0.058 0.000 0.800 371 P CB 0.325 32.037 31.700 0.021 0.000 0.787 372 L N -2.469 118.668 121.223 -0.144 0.000 2.769 372 L HA 0.346 4.685 4.340 -0.000 0.000 0.240 372 L C 1.391 178.216 176.870 -0.074 0.000 1.163 372 L CA -0.072 54.691 54.840 -0.129 0.000 0.962 372 L CB -0.730 41.189 42.059 -0.234 0.000 1.258 372 L HN 0.062 nan 8.230 nan 0.000 0.513 373 G N 1.559 110.335 108.800 -0.041 0.000 2.581 373 G HA2 -0.372 3.587 3.960 -0.000 0.000 0.291 373 G HA3 -0.372 3.587 3.960 -0.000 0.000 0.291 373 G C -0.334 174.698 174.900 0.220 0.000 1.277 373 G CA 0.467 45.613 45.100 0.078 0.000 0.959 373 G HN 0.130 nan 8.290 nan 0.000 0.554 374 M N -0.141 119.618 119.600 0.264 0.000 2.644 374 M HA 0.704 5.184 4.480 -0.000 0.000 0.316 374 M C 0.569 177.040 176.300 0.285 0.000 1.200 374 M CA -0.242 55.247 55.300 0.314 0.000 0.944 374 M CB 1.811 34.457 32.600 0.077 0.000 1.691 374 M HN 1.044 nan 8.290 nan 0.000 0.471 375 T N 2.942 117.643 114.554 0.245 0.000 2.856 375 T HA 0.389 4.739 4.350 -0.000 0.000 0.292 375 T C -0.562 174.210 174.700 0.120 0.000 0.980 375 T CA -0.092 62.141 62.100 0.222 0.000 1.091 375 T CB 0.044 69.034 68.868 0.204 0.000 0.936 375 T HN 0.628 nan 8.240 nan 0.000 0.503 376 H N 2.981 122.036 119.070 -0.027 0.000 2.693 376 H HA 0.618 5.173 4.556 -0.000 0.000 0.348 376 H C -0.464 174.822 175.328 -0.070 0.000 1.222 376 H CA -1.048 54.956 56.048 -0.073 0.000 1.270 376 H CB 2.070 31.782 29.762 -0.083 0.000 1.798 376 H HN 0.433 nan 8.280 nan 0.000 0.592 377 M N 1.320 120.934 119.600 0.024 0.000 2.421 377 M HA 0.150 4.630 4.480 -0.000 0.000 0.287 377 M C -0.750 175.521 176.300 -0.050 0.000 1.183 377 M CA -0.696 54.593 55.300 -0.018 0.000 0.916 377 M CB 2.341 34.919 32.600 -0.037 0.000 1.701 377 M HN 0.718 nan 8.290 nan 0.000 0.470 378 T N 0.178 114.701 114.554 -0.050 0.000 2.919 378 T HA 0.279 4.629 4.350 -0.000 0.000 0.302 378 T C 0.498 175.149 174.700 -0.081 0.000 1.031 378 T CA -0.467 61.590 62.100 -0.072 0.000 1.127 378 T CB 1.138 69.967 68.868 -0.065 0.000 0.952 378 T HN 0.643 nan 8.240 nan 0.000 0.540 379 S N 2.054 117.685 115.700 -0.116 0.000 2.492 379 S HA 0.204 4.674 4.470 -0.000 0.000 0.218 379 S C 0.696 175.266 174.600 -0.049 0.000 1.016 379 S CA -0.251 57.889 58.200 -0.101 0.000 0.916 379 S CB -0.145 62.925 63.200 -0.218 0.000 0.791 379 S HN 0.892 nan 8.310 nan 0.000 0.513 380 R N 0.619 121.088 120.500 -0.051 0.000 2.728 380 R HA 0.349 4.689 4.340 -0.000 0.000 0.274 380 R C -2.076 174.200 176.300 -0.040 0.000 1.030 380 R CA -1.086 54.997 56.100 -0.029 0.000 0.876 380 R CB 0.216 30.510 30.300 -0.010 0.000 1.259 380 R HN -0.070 nan 8.270 nan 0.000 0.468 381 D N 1.043 121.423 120.400 -0.032 0.000 2.364 381 D HA 0.257 4.897 4.640 -0.000 0.000 0.236 381 D C 0.205 176.462 176.300 -0.073 0.000 1.221 381 D CA 0.202 54.174 54.000 -0.047 0.000 0.891 381 D CB 0.619 41.401 40.800 -0.031 0.000 1.190 381 D HN 0.207 nan 8.370 nan 0.000 0.449 382 I N -0.159 120.339 120.570 -0.120 0.000 2.771 382 I HA 0.034 4.203 4.170 -0.000 0.000 0.291 382 I C -0.474 175.484 176.117 -0.266 0.000 1.527 382 I CA -0.787 60.355 61.300 -0.264 0.000 1.024 382 I CB 1.880 39.697 38.000 -0.305 0.000 1.388 382 I HN 0.540 nan 8.210 nan 0.000 0.447 383 E N 5.224 125.200 120.200 -0.373 0.000 2.197 383 E HA 0.653 5.002 4.350 -0.000 0.000 0.281 383 E C -1.181 175.275 176.600 -0.240 0.000 0.995 383 E CA -0.578 55.699 56.400 -0.205 0.000 0.808 383 E CB 2.529 32.178 29.700 -0.084 0.000 1.093 383 E HN 0.380 nan 8.360 nan 0.000 0.394 384 V N 2.086 121.946 119.914 -0.090 0.000 2.686 384 V HA 0.230 4.349 4.120 -0.000 0.000 0.306 384 V C -0.228 175.871 176.094 0.008 0.000 1.065 384 V CA -0.530 61.756 62.300 -0.023 0.000 0.894 384 V CB 1.372 33.188 31.823 -0.012 0.000 1.004 384 V HN 1.004 nan 8.190 nan 0.000 0.424 385 Q N 4.060 123.836 119.800 -0.039 0.000 2.435 385 Q HA -0.268 4.072 4.340 -0.000 0.000 0.286 385 Q C 1.266 176.987 176.000 -0.465 0.000 1.229 385 Q CA 1.257 56.980 55.803 -0.132 0.000 0.884 385 Q CB -1.651 27.092 28.738 0.008 0.000 1.245 385 Q HN 2.195 nan 8.270 nan 0.000 0.488 386 G N -1.311 107.260 108.800 -0.383 0.000 2.232 386 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.226 386 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.226 386 G C -0.052 174.580 174.900 -0.448 0.000 0.996 386 G CA 0.014 44.822 45.100 -0.487 0.000 0.626 386 G HN 0.315 nan 8.290 nan 0.000 0.509 387 F N 3.536 123.465 119.950 -0.034 0.000 2.394 387 F HA 0.565 5.092 4.527 -0.000 0.000 0.340 387 F C 1.375 177.137 175.800 -0.063 0.000 1.105 387 F CA -1.116 56.859 58.000 -0.042 0.000 1.124 387 F CB 0.825 39.800 39.000 -0.042 0.000 1.145 387 F HN 0.040 nan 8.300 nan 0.000 0.505 388 R N 4.107 124.684 120.500 0.129 0.000 2.401 388 R HA 0.323 4.663 4.340 -0.000 0.000 0.299 388 R C -0.905 175.407 176.300 0.019 0.000 1.064 388 R CA 0.206 56.329 56.100 0.038 0.000 1.000 388 R CB 0.065 30.380 30.300 0.025 0.000 0.973 388 R HN 0.710 nan 8.270 nan 0.000 0.438 389 I N 4.548 125.102 120.570 -0.027 0.000 2.502 389 I HA 0.233 4.403 4.170 -0.000 0.000 0.276 389 I C -2.233 173.855 176.117 -0.048 0.000 1.057 389 I CA -2.556 58.718 61.300 -0.044 0.000 1.163 389 I CB 1.713 39.673 38.000 -0.067 0.000 1.288 389 I HN 0.203 nan 8.210 nan 0.000 0.479 390 P HA -0.098 nan 4.420 nan 0.000 0.267 390 P C -0.012 177.270 177.300 -0.030 0.000 1.195 390 P CA -0.001 63.084 63.100 -0.026 0.000 0.773 390 P CB 0.566 32.255 31.700 -0.017 0.000 0.837 391 K N 2.132 122.518 120.400 -0.024 0.000 2.550 391 K HA 0.122 4.442 4.320 -0.000 0.000 0.280 391 K C 0.455 177.045 176.600 -0.017 0.000 0.987 391 K CA 1.051 57.325 56.287 -0.022 0.000 1.048 391 K CB -0.623 31.870 32.500 -0.011 0.000 0.879 391 K HN 0.823 nan 8.250 nan 0.000 0.491 392 G N 2.784 111.572 108.800 -0.020 0.000 2.487 392 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.243 392 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.243 392 G C -0.595 174.296 174.900 -0.014 0.000 0.918 392 G CA 0.193 45.285 45.100 -0.013 0.000 1.260 392 G HN 0.604 nan 8.290 nan 0.000 0.408 393 T N 1.258 115.799 114.554 -0.021 0.000 3.105 393 T HA 0.491 4.841 4.350 -0.000 0.000 0.321 393 T C 0.187 174.875 174.700 -0.020 0.000 1.135 393 T CA -0.277 61.811 62.100 -0.022 0.000 1.053 393 T CB 1.540 70.386 68.868 -0.036 0.000 1.133 393 T HN 0.559 nan 8.240 nan 0.000 0.463 394 T N 4.639 119.187 114.554 -0.010 0.000 2.769 394 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 394 T C -0.017 174.669 174.700 -0.023 0.000 0.931 394 T CA -0.459 61.642 62.100 0.001 0.000 1.139 394 T CB -0.111 68.769 68.868 0.020 0.000 0.881 394 T HN 0.166 nan 8.240 nan 0.000 0.532 395 L N 4.962 126.178 121.223 -0.011 0.000 2.264 395 L HA 0.502 4.841 4.340 -0.000 0.000 0.289 395 L C 0.254 177.109 176.870 -0.025 0.000 1.044 395 L CA -0.354 54.455 54.840 -0.052 0.000 0.807 395 L CB 0.806 42.826 42.059 -0.065 0.000 1.192 395 L HN 0.631 nan 8.230 nan 0.000 0.425 396 I N 2.804 123.323 120.570 -0.084 0.000 2.359 396 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 396 I C 0.315 176.362 176.117 -0.117 0.000 0.987 396 I CA -0.397 60.877 61.300 -0.044 0.000 1.225 396 I CB 1.968 39.951 38.000 -0.030 0.000 1.366 396 I HN 0.602 nan 8.210 nan 0.000 0.466 397 T N 1.436 115.950 114.554 -0.066 0.000 2.929 397 T HA 0.220 4.570 4.350 -0.000 0.000 0.331 397 T C 0.111 174.775 174.700 -0.060 0.000 1.120 397 T CA -0.862 61.177 62.100 -0.102 0.000 0.973 397 T CB 0.153 68.946 68.868 -0.124 0.000 1.036 397 T HN 0.401 nan 8.240 nan 0.000 0.502 398 N N 3.997 122.655 118.700 -0.069 0.000 2.670 398 N HA 0.081 4.821 4.740 -0.000 0.000 0.296 398 N C 1.090 176.579 175.510 -0.034 0.000 1.216 398 N CA -0.440 52.601 53.050 -0.014 0.000 1.123 398 N CB -0.488 38.007 38.487 0.013 0.000 1.459 398 N HN 0.710 nan 8.380 nan 0.000 0.509 399 L N 0.476 121.671 121.223 -0.047 0.000 2.191 399 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 399 L C 2.246 179.064 176.870 -0.087 0.000 1.103 399 L CA 0.707 55.509 54.840 -0.064 0.000 0.769 399 L CB -0.405 41.608 42.059 -0.076 0.000 0.908 399 L HN 0.420 nan 8.230 nan 0.000 0.438 400 S N 0.054 115.693 115.700 -0.102 0.000 2.368 400 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 400 S C 2.304 176.823 174.600 -0.135 0.000 1.029 400 S CA 1.604 59.710 58.200 -0.157 0.000 0.988 400 S CB -0.194 62.894 63.200 -0.187 0.000 0.838 400 S HN 0.599 nan 8.310 nan 0.000 0.462 401 S N 0.656 116.313 115.700 -0.072 0.000 2.419 401 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 401 S C 1.737 176.335 174.600 -0.002 0.000 1.019 401 S CA 1.321 59.502 58.200 -0.032 0.000 0.982 401 S CB -0.730 62.480 63.200 0.016 0.000 0.789 401 S HN 0.390 nan 8.310 nan 0.000 0.490 402 V N 0.950 120.867 119.914 0.005 0.000 2.379 402 V HA 0.050 4.169 4.120 -0.000 0.000 0.243 402 V C 2.450 178.650 176.094 0.176 0.000 1.035 402 V CA 0.955 63.297 62.300 0.070 0.000 1.035 402 V CB -0.766 31.084 31.823 0.046 0.000 0.673 402 V HN 0.358 nan 8.190 nan 0.000 0.457 403 L N -0.051 121.187 121.223 0.026 0.000 2.201 403 L HA 0.007 4.347 4.340 -0.000 0.000 0.212 403 L C 1.906 178.557 176.870 -0.365 0.000 1.105 403 L CA 1.712 56.485 54.840 -0.111 0.000 0.775 403 L CB -0.651 41.257 42.059 -0.251 0.000 0.913 403 L HN 0.293 nan 8.230 nan 0.000 0.440 404 K N -0.680 119.566 120.400 -0.257 0.000 2.455 404 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 404 K C -0.019 176.500 176.600 -0.136 0.000 1.027 404 K CA -0.267 55.778 56.287 -0.404 0.000 1.113 404 K CB 0.302 32.429 32.500 -0.623 0.000 0.850 404 K HN 0.162 nan 8.250 nan 0.000 0.503 405 D N 2.464 122.940 120.400 0.127 0.000 2.570 405 D HA -0.116 4.523 4.640 -0.000 0.000 0.243 405 D C 0.855 177.248 176.300 0.154 0.000 1.171 405 D CA 0.616 54.700 54.000 0.140 0.000 0.879 405 D CB 0.885 41.759 40.800 0.123 0.000 1.143 405 D HN 0.142 nan 8.370 nan 0.000 0.511 406 E N 3.143 123.399 120.200 0.093 0.000 2.106 406 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 406 E C 1.676 178.317 176.600 0.068 0.000 0.984 406 E CA 1.300 57.762 56.400 0.104 0.000 0.806 406 E CB 0.015 29.787 29.700 0.121 0.000 0.750 406 E HN 0.558 nan 8.360 nan 0.000 0.458 407 A N -0.572 122.266 122.820 0.031 0.000 2.238 407 A HA 0.092 4.412 4.320 -0.000 0.000 0.208 407 A C 1.786 179.326 177.584 -0.073 0.000 1.177 407 A CA 0.592 52.624 52.037 -0.009 0.000 0.804 407 A CB 0.276 19.270 19.000 -0.010 0.000 0.823 407 A HN 0.192 nan 8.150 nan 0.000 0.482 408 V N -2.801 117.040 119.914 -0.122 0.000 2.911 408 V HA 0.075 4.195 4.120 -0.000 0.000 0.237 408 V C 0.210 176.058 176.094 -0.409 0.000 1.156 408 V CA 0.209 62.297 62.300 -0.353 0.000 1.180 408 V CB -0.280 31.185 31.823 -0.597 0.000 0.932 408 V HN 0.639 nan 8.190 nan 0.000 0.483 409 W N 1.085 122.325 121.300 -0.101 0.000 2.390 409 W HA 0.505 5.165 4.660 -0.000 0.000 0.312 409 W C 1.130 177.678 176.519 0.048 0.000 1.123 409 W CA -0.560 56.719 57.345 -0.110 0.000 1.202 409 W CB 0.539 29.773 29.460 -0.378 0.000 1.251 409 W HN 0.047 nan 8.180 nan 0.000 0.511 410 E N 1.611 122.029 120.200 0.365 0.000 2.171 410 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 410 E C 0.157 176.851 176.600 0.158 0.000 0.997 410 E CA 1.377 57.903 56.400 0.211 0.000 0.810 410 E CB -0.059 29.720 29.700 0.133 0.000 0.738 410 E HN 0.283 nan 8.360 nan 0.000 0.467 411 K N -0.878 119.720 120.400 0.329 0.000 2.984 411 K HA 0.146 4.466 4.320 -0.000 0.000 0.211 411 K C -2.411 174.341 176.600 0.254 0.000 1.174 411 K CA -0.970 55.409 56.287 0.153 0.000 0.978 411 K CB 1.780 34.171 32.500 -0.181 0.000 1.212 411 K HN -0.123 nan 8.250 nan 0.000 0.589 412 P HA -0.080 nan 4.420 nan 0.000 0.219 412 P C 0.237 177.362 177.300 -0.291 0.000 1.150 412 P CA 0.895 63.898 63.100 -0.162 0.000 0.814 412 P CB 0.178 31.711 31.700 -0.278 0.000 0.787 413 F N -0.987 119.027 119.950 0.106 0.000 2.645 413 F HA 0.218 4.744 4.527 -0.000 0.000 0.300 413 F C 1.108 177.097 175.800 0.315 0.000 1.115 413 F CA -0.058 58.018 58.000 0.127 0.000 1.355 413 F CB 0.125 39.181 39.000 0.093 0.000 1.026 413 F HN -0.329 nan 8.300 nan 0.000 0.536 414 R N -0.457 120.313 120.500 0.451 0.000 2.750 414 R HA 0.295 4.635 4.340 -0.000 0.000 0.281 414 R C -1.204 175.322 176.300 0.377 0.000 0.972 414 R CA -1.106 55.242 56.100 0.413 0.000 0.912 414 R CB 1.742 32.163 30.300 0.202 0.000 1.187 414 R HN -0.066 nan 8.270 nan 0.000 0.464 415 F N 2.692 122.550 119.950 -0.153 0.000 2.502 415 F HA 0.103 4.630 4.527 -0.000 0.000 0.371 415 F C -0.235 175.520 175.800 -0.075 0.000 1.083 415 F CA 0.357 58.149 58.000 -0.347 0.000 1.174 415 F CB 0.099 38.643 39.000 -0.760 0.000 1.096 415 F HN 0.480 nan 8.300 nan 0.000 0.545 416 H N 7.410 126.131 119.070 -0.582 0.000 2.661 416 H HA 0.321 4.877 4.556 -0.000 0.000 0.243 416 H C -2.411 172.678 175.328 -0.399 0.000 1.410 416 H CA -1.708 54.064 56.048 -0.460 0.000 1.509 416 H CB 0.865 30.381 29.762 -0.410 0.000 1.761 416 H HN 0.291 nan 8.280 nan 0.000 0.576 417 P HA -0.142 nan 4.420 nan 0.000 0.221 417 P C 1.165 178.340 177.300 -0.209 0.000 1.145 417 P CA 0.942 63.828 63.100 -0.357 0.000 0.795 417 P CB 0.510 31.920 31.700 -0.483 0.000 0.775 418 E N -1.144 118.769 120.200 -0.479 0.000 2.114 418 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 418 E C 1.714 178.231 176.600 -0.138 0.000 1.008 418 E CA 1.347 57.533 56.400 -0.358 0.000 0.810 418 E CB -1.116 28.209 29.700 -0.625 0.000 0.739 418 E HN 0.488 nan 8.360 nan 0.000 0.456 419 H N -1.855 117.194 119.070 -0.034 0.000 2.414 419 H HA -0.221 4.335 4.556 -0.000 0.000 0.290 419 H C 1.049 176.191 175.328 -0.311 0.000 1.125 419 H CA 1.577 57.599 56.048 -0.043 0.000 1.207 419 H CB -0.222 29.555 29.762 0.025 0.000 1.356 419 H HN 0.191 nan 8.280 nan 0.000 0.494 420 F N -0.482 119.522 119.950 0.089 0.000 2.678 420 F HA 0.252 4.779 4.527 -0.000 0.000 0.305 420 F C 0.084 175.817 175.800 -0.111 0.000 1.090 420 F CA -0.050 57.906 58.000 -0.073 0.000 1.272 420 F CB 0.710 39.695 39.000 -0.026 0.000 1.060 420 F HN -0.088 nan 8.300 nan 0.000 0.576 421 L N 1.333 122.598 121.223 0.068 0.000 2.313 421 L HA 0.318 4.658 4.340 -0.000 0.000 0.283 421 L C -0.192 176.681 176.870 0.004 0.000 1.013 421 L CA -1.090 53.784 54.840 0.057 0.000 0.816 421 L CB 1.057 43.162 42.059 0.077 0.000 1.236 421 L HN 0.024 nan 8.230 nan 0.000 0.419 422 D N 2.573 122.979 120.400 0.009 0.000 2.414 422 D HA 0.125 4.765 4.640 -0.000 0.000 0.259 422 D C 1.127 177.421 176.300 -0.010 0.000 1.269 422 D CA -0.043 53.955 54.000 -0.004 0.000 1.028 422 D CB 0.927 41.737 40.800 0.017 0.000 1.093 422 D HN 0.483 nan 8.370 nan 0.000 0.545 423 A N -0.313 122.500 122.820 -0.012 0.000 1.986 423 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 423 A C 1.968 179.527 177.584 -0.042 0.000 1.171 423 A CA 1.915 53.941 52.037 -0.019 0.000 0.640 423 A CB -0.782 18.212 19.000 -0.011 0.000 0.811 423 A HN 0.574 nan 8.150 nan 0.000 0.451 424 Q N -1.566 118.189 119.800 -0.075 0.000 2.360 424 Q HA 0.365 4.705 4.340 -0.000 0.000 0.202 424 Q C 1.043 176.885 176.000 -0.263 0.000 0.915 424 Q CA 0.669 56.366 55.803 -0.177 0.000 0.943 424 Q CB 0.141 28.735 28.738 -0.240 0.000 1.064 424 Q HN 0.917 nan 8.270 nan 0.000 0.511 425 G N 0.516 109.233 108.800 -0.139 0.000 2.160 425 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 425 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 425 G C -0.602 174.266 174.900 -0.053 0.000 1.022 425 G CA -0.101 44.964 45.100 -0.058 0.000 0.741 425 G HN 0.522 nan 8.290 nan 0.000 0.508 426 H N -1.315 117.800 119.070 0.075 0.000 2.511 426 H HA 0.494 5.050 4.556 -0.000 0.000 0.346 426 H C 0.412 175.808 175.328 0.113 0.000 1.128 426 H CA -0.641 55.462 56.048 0.092 0.000 1.342 426 H CB 0.953 30.746 29.762 0.052 0.000 1.470 426 H HN 0.239 nan 8.280 nan 0.000 0.546 427 F N 3.917 123.944 119.950 0.129 0.000 2.529 427 F HA 0.269 4.796 4.527 -0.000 0.000 0.365 427 F C -0.250 175.567 175.800 0.028 0.000 1.102 427 F CA -0.458 57.563 58.000 0.035 0.000 1.271 427 F CB 0.218 39.186 39.000 -0.053 0.000 1.120 427 F HN 0.273 nan 8.300 nan 0.000 0.579 428 V N 3.969 123.436 119.914 -0.745 0.000 2.876 428 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 428 V C -1.412 174.137 176.094 -0.908 0.000 1.085 428 V CA -1.120 60.768 62.300 -0.687 0.000 0.945 428 V CB 1.866 33.505 31.823 -0.307 0.000 1.017 428 V HN 0.891 nan 8.190 nan 0.000 0.428 429 K N 3.024 123.074 120.400 -0.582 0.000 2.507 429 K HA 0.683 5.003 4.320 -0.000 0.000 0.253 429 K C -2.876 173.672 176.600 -0.086 0.000 0.969 429 K CA -1.441 54.707 56.287 -0.231 0.000 0.908 429 K CB 1.421 33.902 32.500 -0.033 0.000 1.127 429 K HN 0.566 nan 8.250 nan 0.000 0.437 430 P HA -0.080 nan 4.420 nan 0.000 0.267 430 P C 0.166 177.469 177.300 0.006 0.000 1.195 430 P CA -0.009 62.978 63.100 -0.189 0.000 0.773 430 P CB 0.598 31.991 31.700 -0.512 0.000 0.837 431 E N 1.013 121.188 120.200 -0.040 0.000 2.268 431 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 431 E C 1.616 178.272 176.600 0.094 0.000 0.995 431 E CA 0.924 57.349 56.400 0.042 0.000 0.836 431 E CB -0.173 29.521 29.700 -0.010 0.000 0.763 431 E HN 0.493 nan 8.360 nan 0.000 0.491 432 A N 0.812 123.645 122.820 0.021 0.000 2.239 432 A HA -0.088 4.232 4.320 -0.000 0.000 0.209 432 A C 0.663 178.537 177.584 0.482 0.000 1.171 432 A CA 0.011 52.133 52.037 0.142 0.000 0.768 432 A CB -0.466 18.485 19.000 -0.082 0.000 0.790 432 A HN 0.218 nan 8.150 nan 0.000 0.478 433 F N 0.882 121.064 119.950 0.387 0.000 2.494 433 F HA 0.416 4.943 4.527 -0.000 0.000 0.351 433 F C 0.136 176.117 175.800 0.301 0.000 1.205 433 F CA -0.446 57.837 58.000 0.471 0.000 1.125 433 F CB 0.150 39.526 39.000 0.626 0.000 1.268 433 F HN 0.007 nan 8.300 nan 0.000 0.593 434 L N 9.155 130.286 121.223 -0.154 0.000 2.913 434 L HA 0.205 4.545 4.340 -0.000 0.000 0.283 434 L C -1.633 175.075 176.870 -0.270 0.000 1.336 434 L CA -0.936 53.819 54.840 -0.142 0.000 0.815 434 L CB 0.742 42.798 42.059 -0.006 0.000 1.188 434 L HN 0.402 nan 8.230 nan 0.000 0.551 435 P HA -0.078 nan 4.420 nan 0.000 0.225 435 P C 0.933 177.940 177.300 -0.489 0.000 1.156 435 P CA 1.058 63.824 63.100 -0.557 0.000 0.787 435 P CB 0.156 31.370 31.700 -0.810 0.000 0.802 436 F N -0.464 119.413 119.950 -0.121 0.000 2.660 436 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 436 F C 1.602 177.416 175.800 0.024 0.000 1.103 436 F CA 0.055 58.051 58.000 -0.008 0.000 1.340 436 F CB -0.453 38.562 39.000 0.026 0.000 1.048 436 F HN -0.074 nan 8.300 nan 0.000 0.551 437 S N 0.331 116.095 115.700 0.106 0.000 3.521 437 S HA 0.023 4.493 4.470 -0.000 0.000 0.631 437 S C -0.359 174.309 174.600 0.114 0.000 2.557 437 S CA 0.133 58.386 58.200 0.088 0.000 3.244 437 S CB -1.113 62.153 63.200 0.110 0.000 0.300 437 S HN 1.175 nan 8.310 nan 0.000 1.439 438 A N -0.180 122.701 122.820 0.101 0.000 2.605 438 A HA 0.795 5.115 4.320 -0.000 0.000 0.294 438 A C 0.704 178.345 177.584 0.095 0.000 1.062 438 A CA 0.909 53.001 52.037 0.092 0.000 0.682 438 A CB 0.507 19.542 19.000 0.058 0.000 1.278 438 A HN 2.952 nan 8.150 nan 0.000 0.410 439 G N 0.883 109.742 108.800 0.099 0.000 2.545 439 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.216 439 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.216 439 G C 0.745 175.737 174.900 0.152 0.000 1.314 439 G CA 0.338 45.500 45.100 0.103 0.000 0.906 439 G HN 1.069 nan 8.290 nan 0.000 0.563 440 R N 0.169 120.773 120.500 0.173 0.000 2.113 440 R HA -0.062 4.278 4.340 -0.000 0.000 0.244 440 R C 2.199 178.717 176.300 0.364 0.000 1.142 440 R CA 1.941 58.200 56.100 0.265 0.000 0.953 440 R CB -0.406 30.053 30.300 0.264 0.000 0.860 440 R HN 0.495 nan 8.270 nan 0.000 0.438 441 R N 0.150 120.834 120.500 0.307 0.000 2.609 441 R HA 0.285 4.625 4.340 -0.000 0.000 0.326 441 R C -0.068 176.391 176.300 0.266 0.000 1.090 441 R CA -0.058 56.234 56.100 0.320 0.000 1.072 441 R CB 0.560 30.922 30.300 0.104 0.000 1.330 441 R HN 0.072 nan 8.270 nan 0.000 0.572 442 A N 0.528 123.490 122.820 0.237 0.000 2.409 442 A HA -0.029 4.291 4.320 -0.000 0.000 0.246 442 A C 0.427 178.145 177.584 0.223 0.000 1.099 442 A CA -0.277 51.888 52.037 0.213 0.000 0.789 442 A CB 0.233 19.341 19.000 0.180 0.000 1.053 442 A HN 0.520 nan 8.150 nan 0.000 0.503 443 C N 2.082 121.534 119.300 0.253 0.000 2.519 443 C HA 0.084 4.544 4.460 -0.000 0.000 0.402 443 C C 1.880 176.981 174.990 0.186 0.000 1.475 443 C CA -0.020 59.163 59.018 0.274 0.000 1.504 443 C CB -2.288 25.704 27.740 0.420 0.000 2.454 443 C HN 0.732 nan 8.230 nan 0.000 0.615 444 L N 4.946 126.279 121.223 0.183 0.000 2.137 444 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 444 L C 2.423 179.344 176.870 0.084 0.000 1.085 444 L CA 2.033 56.946 54.840 0.121 0.000 0.760 444 L CB -0.527 41.615 42.059 0.139 0.000 0.893 444 L HN 1.009 nan 8.230 nan 0.000 0.434 445 G N -1.477 107.395 108.800 0.119 0.000 2.985 445 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.209 445 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.209 445 G C 1.265 176.163 174.900 -0.004 0.000 1.165 445 G CA 0.198 45.354 45.100 0.093 0.000 0.776 445 G HN 0.409 nan 8.290 nan 0.000 0.541 446 E N 1.236 121.352 120.200 -0.140 0.000 2.086 446 E HA -0.172 4.177 4.350 -0.000 0.000 0.200 446 E C -0.141 176.269 176.600 -0.317 0.000 1.012 446 E CA 1.593 57.673 56.400 -0.532 0.000 0.812 446 E CB -0.330 28.931 29.700 -0.731 0.000 0.743 446 E HN 0.334 nan 8.360 nan 0.000 0.453 447 P HA -0.160 nan 4.420 nan 0.000 0.215 447 P C 1.442 178.719 177.300 -0.038 0.000 1.153 447 P CA 0.962 64.007 63.100 -0.092 0.000 0.853 447 P CB -0.067 31.596 31.700 -0.061 0.000 0.788 448 L N -1.021 120.201 121.223 -0.002 0.000 2.217 448 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 448 L C 2.054 178.983 176.870 0.097 0.000 1.107 448 L CA 1.543 56.414 54.840 0.053 0.000 0.783 448 L CB -1.384 40.722 42.059 0.078 0.000 0.919 448 L HN -0.143 nan 8.230 nan 0.000 0.442 449 A N -0.663 122.216 122.820 0.099 0.000 1.874 449 A HA -0.093 4.226 4.320 -0.000 0.000 0.214 449 A C 2.402 180.097 177.584 0.185 0.000 1.189 449 A CA 0.978 53.133 52.037 0.197 0.000 0.615 449 A CB -0.445 18.756 19.000 0.335 0.000 0.830 449 A HN 0.380 nan 8.150 nan 0.000 0.443 450 R N -1.240 119.314 120.500 0.090 0.000 2.103 450 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 450 R C 2.275 178.650 176.300 0.125 0.000 1.142 450 R CA 1.923 58.076 56.100 0.088 0.000 0.960 450 R CB -0.429 29.869 30.300 -0.004 0.000 0.858 450 R HN 0.660 nan 8.270 nan 0.000 0.439 451 M N 0.710 120.369 119.600 0.098 0.000 2.067 451 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 451 M C 1.852 178.225 176.300 0.122 0.000 1.069 451 M CA 1.787 57.151 55.300 0.108 0.000 1.117 451 M CB -0.028 32.604 32.600 0.054 0.000 1.334 451 M HN 0.103 nan 8.290 nan 0.000 0.407 452 E N 0.068 120.348 120.200 0.133 0.000 2.058 452 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 452 E C 1.985 178.758 176.600 0.289 0.000 0.997 452 E CA 1.647 58.150 56.400 0.173 0.000 0.801 452 E CB -0.285 29.634 29.700 0.364 0.000 0.746 452 E HN 0.546 nan 8.360 nan 0.000 0.450 453 L N -0.099 121.299 121.223 0.291 0.000 2.046 453 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 453 L C 2.441 179.492 176.870 0.302 0.000 1.077 453 L CA 1.046 56.060 54.840 0.289 0.000 0.747 453 L CB -0.441 41.737 42.059 0.199 0.000 0.896 453 L HN 0.141 nan 8.230 nan 0.000 0.432 454 F N 0.636 120.662 119.950 0.126 0.000 2.084 454 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 454 F C 2.301 178.184 175.800 0.138 0.000 1.111 454 F CA 1.460 59.535 58.000 0.125 0.000 1.224 454 F CB -0.035 38.998 39.000 0.055 0.000 0.991 454 F HN -0.159 nan 8.300 nan 0.000 0.471 455 L N -0.782 120.416 121.223 -0.043 0.000 1.994 455 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 455 L C 2.475 179.251 176.870 -0.157 0.000 1.071 455 L CA 1.337 56.046 54.840 -0.219 0.000 0.745 455 L CB -0.895 41.035 42.059 -0.216 0.000 0.892 455 L HN 0.135 nan 8.230 nan 0.000 0.431 456 F N -0.712 119.285 119.950 0.078 0.000 2.102 456 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 456 F C 2.388 178.242 175.800 0.090 0.000 1.105 456 F CA 1.359 59.412 58.000 0.088 0.000 1.239 456 F CB -0.995 38.080 39.000 0.125 0.000 0.991 456 F HN -0.070 nan 8.300 nan 0.000 0.474 457 F N 1.216 121.259 119.950 0.155 0.000 2.102 457 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 457 F C 2.704 178.533 175.800 0.048 0.000 1.105 457 F CA 2.114 60.171 58.000 0.096 0.000 1.239 457 F CB -0.874 38.184 39.000 0.097 0.000 0.991 457 F HN 0.062 nan 8.300 nan 0.000 0.474 458 T N -2.561 111.976 114.554 -0.028 0.000 2.668 458 T HA -0.169 4.180 4.350 -0.000 0.000 0.262 458 T C 2.205 176.855 174.700 -0.083 0.000 1.045 458 T CA 1.467 63.471 62.100 -0.160 0.000 1.152 458 T CB -1.124 67.501 68.868 -0.405 0.000 0.864 458 T HN 0.234 nan 8.240 nan 0.000 0.419 459 S N 2.175 117.851 115.700 -0.039 0.000 2.381 459 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 459 S C 1.994 176.709 174.600 0.192 0.000 1.052 459 S CA 1.751 60.009 58.200 0.097 0.000 1.068 459 S CB -0.791 62.479 63.200 0.116 0.000 0.918 459 S HN 0.437 nan 8.310 nan 0.000 0.448 460 L N 0.559 121.873 121.223 0.151 0.000 2.056 460 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 460 L C 2.154 179.240 176.870 0.361 0.000 1.078 460 L CA 0.969 55.990 54.840 0.301 0.000 0.749 460 L CB -0.431 41.744 42.059 0.193 0.000 0.901 460 L HN 0.273 nan 8.230 nan 0.000 0.433 461 L N -0.487 120.811 121.223 0.124 0.000 2.395 461 L HA -0.138 4.202 4.340 -0.000 0.000 0.218 461 L C 2.573 179.455 176.870 0.021 0.000 1.130 461 L CA 0.606 55.503 54.840 0.096 0.000 0.826 461 L CB -0.340 41.659 42.059 -0.100 0.000 0.941 461 L HN 0.431 nan 8.230 nan 0.000 0.451 462 Q N -0.127 119.664 119.800 -0.014 0.000 2.049 462 Q HA -0.207 4.133 4.340 -0.000 0.000 0.198 462 Q C 1.929 177.794 176.000 -0.224 0.000 0.971 462 Q CA 1.624 57.360 55.803 -0.111 0.000 0.833 462 Q CB 0.093 28.749 28.738 -0.137 0.000 0.896 462 Q HN 0.534 nan 8.270 nan 0.000 0.434 463 H N -1.651 117.273 119.070 -0.243 0.000 2.415 463 H HA 0.128 4.684 4.556 -0.000 0.000 0.297 463 H C -0.276 174.563 175.328 -0.815 0.000 1.048 463 H CA 0.815 56.511 56.048 -0.586 0.000 1.365 463 H CB 0.389 29.648 29.762 -0.838 0.000 1.421 463 H HN 0.065 nan 8.280 nan 0.000 0.533 464 F N -1.248 118.659 119.950 -0.072 0.000 2.611 464 F HA 0.503 5.030 4.527 -0.000 0.000 0.324 464 F C -0.080 175.446 175.800 -0.457 0.000 1.061 464 F CA -1.100 56.706 58.000 -0.322 0.000 0.954 464 F CB 1.879 40.508 39.000 -0.618 0.000 1.301 464 F HN -0.343 nan 8.300 nan 0.000 0.482 465 S N 1.200 116.782 115.700 -0.197 0.000 2.478 465 S HA 0.657 5.126 4.470 -0.000 0.000 0.312 465 S C -1.197 173.261 174.600 -0.237 0.000 1.094 465 S CA -0.526 57.577 58.200 -0.162 0.000 1.081 465 S CB 0.421 63.609 63.200 -0.020 0.000 1.007 465 S HN 0.340 nan 8.310 nan 0.000 0.475 466 F N 2.186 122.211 119.950 0.126 0.000 2.421 466 F HA 0.655 5.182 4.527 -0.000 0.000 0.337 466 F C 0.970 176.797 175.800 0.045 0.000 1.105 466 F CA -0.398 57.654 58.000 0.086 0.000 1.049 466 F CB 1.675 40.722 39.000 0.080 0.000 1.139 466 F HN 0.585 nan 8.300 nan 0.000 0.479 467 S N 0.724 116.536 115.700 0.186 0.000 2.671 467 S HA 0.666 5.136 4.470 -0.000 0.000 0.277 467 S C -1.052 173.578 174.600 0.049 0.000 1.165 467 S CA -1.073 57.184 58.200 0.094 0.000 0.822 467 S CB 1.349 64.587 63.200 0.063 0.000 1.150 467 S HN 0.769 nan 8.310 nan 0.000 0.479 468 V N 0.694 120.615 119.914 0.011 0.000 2.530 468 V HA 0.546 4.666 4.120 -0.000 0.000 0.282 468 V C -2.739 173.354 176.094 -0.002 0.000 1.048 468 V CA -1.513 60.782 62.300 -0.009 0.000 0.997 468 V CB 0.009 31.810 31.823 -0.036 0.000 0.987 468 V HN 0.786 nan 8.190 nan 0.000 0.477 469 P HA 0.078 nan 4.420 nan 0.000 0.263 469 P C 1.123 178.423 177.300 -0.001 0.000 1.175 469 P CA 0.725 63.823 63.100 -0.003 0.000 0.761 469 P CB 0.424 32.117 31.700 -0.013 0.000 0.794 470 T N -0.428 114.130 114.554 0.006 0.000 2.929 470 T HA -0.105 4.245 4.350 -0.000 0.000 0.271 470 T C 1.937 176.638 174.700 0.002 0.000 1.085 470 T CA 1.330 63.434 62.100 0.006 0.000 1.125 470 T CB -0.944 67.931 68.868 0.011 0.000 0.874 470 T HN 0.481 nan 8.240 nan 0.000 0.494 471 G N 0.719 109.519 108.800 -0.000 0.000 2.430 471 G HA2 0.048 4.008 3.960 -0.000 0.000 0.216 471 G HA3 0.048 4.008 3.960 -0.000 0.000 0.216 471 G C 0.706 175.602 174.900 -0.007 0.000 1.146 471 G CA -0.288 44.810 45.100 -0.002 0.000 0.793 471 G HN 0.515 nan 8.290 nan 0.000 0.537 472 Q N 0.594 120.388 119.800 -0.011 0.000 2.352 472 Q HA 0.173 4.513 4.340 -0.000 0.000 0.260 472 Q C -1.383 174.605 176.000 -0.020 0.000 0.976 472 Q CA -1.416 54.377 55.803 -0.016 0.000 0.881 472 Q CB 1.379 30.105 28.738 -0.020 0.000 1.235 472 Q HN 0.140 nan 8.270 nan 0.000 0.419 473 P HA -0.114 nan 4.420 nan 0.000 0.242 473 P C -0.708 176.568 177.300 -0.039 0.000 1.197 473 P CA 0.527 63.613 63.100 -0.024 0.000 0.765 473 P CB 0.297 31.987 31.700 -0.018 0.000 0.936 474 R N -0.481 119.987 120.500 -0.052 0.000 1.063 474 R HA -0.044 4.296 4.340 -0.000 0.000 0.428 474 R C -2.640 173.590 176.300 -0.116 0.000 1.336 474 R CA -0.241 55.808 56.100 -0.085 0.000 0.920 474 R CB -1.745 28.505 30.300 -0.084 0.000 2.969 474 R HN 0.058 nan 8.270 nan 0.000 0.513 475 P HA 0.237 nan 4.420 nan 0.000 0.289 475 P C -0.746 176.406 177.300 -0.247 0.000 1.299 475 P CA -0.588 62.421 63.100 -0.152 0.000 0.766 475 P CB 0.843 32.457 31.700 -0.142 0.000 1.226 476 S N -1.639 113.939 115.700 -0.202 0.000 2.578 476 S HA 0.174 4.644 4.470 -0.000 0.000 0.283 476 S C 1.354 175.800 174.600 -0.257 0.000 1.195 476 S CA -0.532 57.510 58.200 -0.264 0.000 1.050 476 S CB -0.074 63.113 63.200 -0.021 0.000 1.012 476 S HN 0.419 nan 8.310 nan 0.000 0.511 477 H N 2.624 121.632 119.070 -0.104 0.000 2.423 477 H HA 0.018 4.574 4.556 -0.000 0.000 0.297 477 H C 0.068 175.527 175.328 0.219 0.000 1.075 477 H CA 0.606 56.694 56.048 0.067 0.000 1.342 477 H CB -0.460 29.320 29.762 0.030 0.000 1.395 477 H HN 0.603 nan 8.280 nan 0.000 0.530 478 H N 0.964 120.336 119.070 0.503 0.000 2.562 478 H HA 0.426 4.982 4.556 -0.000 0.000 0.352 478 H C 0.663 176.217 175.328 0.377 0.000 1.125 478 H CA 0.158 56.443 56.048 0.395 0.000 1.379 478 H CB 1.244 31.170 29.762 0.274 0.000 1.464 478 H HN 0.345 nan 8.280 nan 0.000 0.563 479 G N 0.212 109.340 108.800 0.547 0.000 2.537 479 G HA2 0.448 4.408 3.960 -0.000 0.000 0.308 479 G HA3 0.448 4.408 3.960 -0.000 0.000 0.308 479 G C -0.682 174.421 174.900 0.337 0.000 1.237 479 G CA -0.776 44.603 45.100 0.465 0.000 0.968 479 G HN 0.474 nan 8.290 nan 0.000 0.481 480 V N 0.324 120.388 119.914 0.249 0.000 2.488 480 V HA 0.303 4.423 4.120 -0.000 0.000 0.277 480 V C -0.255 175.990 176.094 0.250 0.000 1.046 480 V CA -0.608 61.812 62.300 0.200 0.000 0.986 480 V CB 0.833 32.718 31.823 0.104 0.000 0.989 480 V HN 0.535 nan 8.190 nan 0.000 0.475 481 F N 5.715 125.720 119.950 0.092 0.000 2.467 481 F HA 0.735 5.261 4.527 -0.000 0.000 0.349 481 F C 0.640 176.477 175.800 0.063 0.000 1.182 481 F CA -0.768 57.279 58.000 0.079 0.000 1.279 481 F CB -0.421 38.621 39.000 0.069 0.000 1.626 481 F HN 0.677 nan 8.300 nan 0.000 0.596 482 A N 3.090 125.748 122.820 -0.271 0.000 2.529 482 A HA 0.261 4.581 4.320 -0.000 0.000 0.269 482 A C 0.661 177.977 177.584 -0.446 0.000 1.509 482 A CA -0.384 51.425 52.037 -0.380 0.000 0.857 482 A CB -0.389 18.542 19.000 -0.115 0.000 1.531 482 A HN 0.586 nan 8.150 nan 0.000 0.541 483 F N -1.355 118.411 119.950 -0.306 0.000 2.641 483 F HA 0.205 4.732 4.527 -0.000 0.000 0.298 483 F C 0.425 176.208 175.800 -0.029 0.000 1.146 483 F CA 1.030 58.945 58.000 -0.141 0.000 1.464 483 F CB -0.023 38.946 39.000 -0.053 0.000 1.101 483 F HN 0.193 nan 8.300 nan 0.000 0.585 484 L N 0.259 121.533 121.223 0.087 0.000 2.470 484 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 484 L C -1.152 175.795 176.870 0.128 0.000 0.964 484 L CA -0.886 54.021 54.840 0.111 0.000 0.839 484 L CB 1.929 44.056 42.059 0.114 0.000 1.276 484 L HN -0.287 nan 8.230 nan 0.000 0.403 485 V N 2.210 122.247 119.914 0.206 0.000 2.350 485 V HA 0.637 4.757 4.120 -0.000 0.000 0.276 485 V C -0.118 176.257 176.094 0.469 0.000 1.028 485 V CA 0.055 62.544 62.300 0.315 0.000 0.860 485 V CB 1.426 33.469 31.823 0.366 0.000 0.990 485 V HN 0.750 nan 8.190 nan 0.000 0.453 486 S N 7.342 123.220 115.700 0.297 0.000 2.617 486 S HA 0.642 5.111 4.470 -0.000 0.000 0.283 486 S C -2.595 171.920 174.600 -0.141 0.000 1.189 486 S CA -0.992 57.262 58.200 0.090 0.000 1.036 486 S CB 1.452 64.641 63.200 -0.019 0.000 1.014 486 S HN 0.815 nan 8.310 nan 0.000 0.522 487 P HA 0.153 nan 4.420 nan 0.000 0.271 487 P C -0.543 176.588 177.300 -0.281 0.000 1.218 487 P CA -0.439 62.105 63.100 -0.926 0.000 0.780 487 P CB 0.217 31.253 31.700 -1.107 0.000 0.901 488 S N 3.214 118.842 115.700 -0.121 0.000 2.568 488 S HA 0.170 4.639 4.470 -0.000 0.000 0.282 488 S C -2.223 172.363 174.600 -0.023 0.000 1.338 488 S CA -1.025 57.153 58.200 -0.037 0.000 1.045 488 S CB -1.170 62.038 63.200 0.014 0.000 0.873 488 S HN 0.315 nan 8.310 nan 0.000 0.516 489 P HA 0.153 nan 4.420 nan 0.000 0.261 489 P C -0.827 176.442 177.300 -0.051 0.000 1.183 489 P CA 0.283 63.315 63.100 -0.113 0.000 0.761 489 P CB -0.242 31.384 31.700 -0.122 0.000 0.785 490 Y N 0.266 120.452 120.300 -0.190 0.000 2.545 490 Y HA 0.648 5.197 4.550 -0.000 0.000 0.348 490 Y C -0.266 175.504 175.900 -0.217 0.000 1.002 490 Y CA -1.458 56.529 58.100 -0.189 0.000 1.039 490 Y CB 1.620 39.956 38.460 -0.206 0.000 1.271 490 Y HN 0.381 nan 8.280 nan 0.000 0.467 491 E N 4.346 124.447 120.200 -0.164 0.000 2.221 491 E HA 0.721 5.071 4.350 -0.000 0.000 0.268 491 E C -1.204 175.308 176.600 -0.146 0.000 0.933 491 E CA -1.162 55.067 56.400 -0.285 0.000 0.809 491 E CB 2.922 32.478 29.700 -0.240 0.000 1.190 491 E HN 0.888 nan 8.360 nan 0.000 0.406 492 L N -1.361 119.668 121.223 -0.323 0.000 2.359 492 L HA 0.773 5.112 4.340 -0.000 0.000 0.256 492 L C -1.263 175.468 176.870 -0.231 0.000 1.026 492 L CA -1.117 53.615 54.840 -0.179 0.000 0.828 492 L CB 2.006 44.020 42.059 -0.074 0.000 1.406 492 L HN 0.672 nan 8.230 nan 0.000 0.413 493 C N 1.799 121.082 119.300 -0.029 0.000 2.341 493 C HA 0.842 5.302 4.460 -0.000 0.000 0.338 493 C C 0.665 175.723 174.990 0.113 0.000 1.257 493 C CA -0.275 58.771 59.018 0.046 0.000 1.883 493 C CB 0.832 28.606 27.740 0.056 0.000 2.334 493 C HN 0.872 nan 8.230 nan 0.000 0.524 494 A N 3.022 125.922 122.820 0.133 0.000 2.267 494 A HA 0.713 5.032 4.320 -0.000 0.000 0.315 494 A C -0.433 177.198 177.584 0.078 0.000 1.297 494 A CA -0.298 51.730 52.037 -0.014 0.000 0.865 494 A CB 0.372 19.292 19.000 -0.133 0.000 1.165 494 A HN 1.120 nan 8.150 nan 0.000 0.513 495 V N 1.207 121.176 119.914 0.092 0.000 2.495 495 V HA 0.644 4.764 4.120 -0.000 0.000 0.298 495 V C -2.771 173.435 176.094 0.187 0.000 1.031 495 V CA -2.546 59.849 62.300 0.159 0.000 0.871 495 V CB 1.282 33.155 31.823 0.082 0.000 0.988 495 V HN 0.615 nan 8.190 nan 0.000 0.432 496 P HA 0.350 nan 4.420 nan 0.000 0.272 496 P C -0.419 176.871 177.300 -0.017 0.000 1.254 496 P CA -0.175 62.935 63.100 0.016 0.000 0.795 496 P CB 0.531 32.234 31.700 0.006 0.000 1.022 497 R N 0.000 120.462 120.500 -0.064 0.000 2.786 497 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 497 R CA 0.000 56.072 56.100 -0.047 0.000 0.921 497 R CB 0.000 30.261 30.300 -0.065 0.000 0.687 497 R HN 0.000 nan 8.270 nan 0.000 0.535