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 2j0f_1_A DATA FIRST_RESID 34 DATA SEQUENCE KQLPELIRMK RDGGRLSEAD IRGFVAAVVN GSAQGAQIGA MLMAIRLRGM DATA SEQUENCE DLEETSVLTQ ALAQSGQQLE WPEAWRQQLV DKHSTGGVGD KVSLVLAPAL DATA SEQUENCE AACGCKVPMI SGRGLGHTGG TLDKLESIPG FNVIQSPEQM QVLLDQAGCC DATA SEQUENCE IVGQSEQLVP ADGILYAARD VTATVDSLPL ITASILSKKL VEGLSALVVD DATA SEQUENCE VKFGAGAVFP NQEQARELAK TLVGVGASLG LRVAAALTAM DKPLGRCVGH DATA SEQUENCE ALEVEEALLC MDGAGPPDLR DLVTTLGGAL LWLSGHAGTQ AQGAARVAAA DATA SEQUENCE LDDGSALGRF ERMLAAQGVD PGLARALCSG SPAERRQLLP RAREQEELLA DATA SEQUENCE PADGTVELVR ALPLALVLHE LGAGRSRAGE PLRLGVGAEL LVDVGQRLRR DATA SEQUENCE GTPWLRVHRD GPALSGPQSR ALQEALVLSD RAPFAAPLPF AELVLP 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 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.623 176.600 0.039 0.000 0.988 34 K CA 0.000 56.305 56.287 0.030 0.000 0.838 34 K CB 0.000 32.518 32.500 0.030 0.000 1.064 35 Q N 1.707 121.528 119.800 0.035 0.000 2.535 35 Q HA 0.186 4.526 4.340 0.000 0.000 0.228 35 Q C 1.144 177.179 176.000 0.057 0.000 1.062 35 Q CA -0.231 55.597 55.803 0.041 0.000 0.967 35 Q CB 0.694 29.451 28.738 0.032 0.000 1.273 35 Q HN 0.493 nan 8.270 nan 0.000 0.554 36 L N 1.073 122.340 121.223 0.072 0.000 2.013 36 L HA -0.209 4.131 4.340 0.000 0.000 0.212 36 L C -0.763 176.151 176.870 0.073 0.000 1.073 36 L CA 1.576 56.478 54.840 0.104 0.000 0.753 36 L CB -1.021 41.111 42.059 0.120 0.000 0.890 36 L HN 0.609 nan 8.230 nan 0.000 0.432 37 P HA -0.187 nan 4.420 nan 0.000 0.218 37 P C 1.317 178.629 177.300 0.021 0.000 1.148 37 P CA 1.230 64.350 63.100 0.033 0.000 0.822 37 P CB 0.020 31.735 31.700 0.027 0.000 0.784 38 E N -0.547 119.666 120.200 0.021 0.000 2.112 38 E HA -0.053 4.298 4.350 0.000 0.000 0.190 38 E C 1.988 178.591 176.600 0.005 0.000 0.979 38 E CA 0.695 57.103 56.400 0.012 0.000 0.814 38 E CB -0.444 29.265 29.700 0.015 0.000 0.762 38 E HN 0.229 nan 8.360 nan 0.000 0.460 39 L N 0.519 121.750 121.223 0.012 0.000 2.017 39 L HA -0.200 4.140 4.340 0.000 0.000 0.208 39 L C 2.567 179.406 176.870 -0.052 0.000 1.073 39 L CA 1.019 55.854 54.840 -0.009 0.000 0.745 39 L CB -0.478 41.594 42.059 0.022 0.000 0.894 39 L HN 0.127 nan 8.230 nan 0.000 0.432 40 I N -0.715 119.828 120.570 -0.044 0.000 2.208 40 I HA -0.291 3.879 4.170 0.000 0.000 0.245 40 I C 2.896 178.987 176.117 -0.044 0.000 1.097 40 I CA 1.076 62.339 61.300 -0.061 0.000 1.363 40 I CB -0.488 37.496 38.000 -0.027 0.000 1.051 40 I HN 0.284 nan 8.210 nan 0.000 0.413 41 R N 1.364 121.850 120.500 -0.023 0.000 2.081 41 R HA -0.159 4.181 4.340 0.000 0.000 0.235 41 R C 2.192 178.479 176.300 -0.021 0.000 1.131 41 R CA 1.783 57.873 56.100 -0.017 0.000 0.960 41 R CB -0.411 29.885 30.300 -0.007 0.000 0.856 41 R HN 0.333 nan 8.270 nan 0.000 0.436 42 M N 0.429 120.015 119.600 -0.024 0.000 2.073 42 M HA -0.220 4.260 4.480 0.000 0.000 0.258 42 M C 2.382 178.662 176.300 -0.033 0.000 1.070 42 M CA 2.170 57.455 55.300 -0.025 0.000 1.103 42 M CB -0.305 32.281 32.600 -0.023 0.000 1.321 42 M HN -0.028 nan 8.290 nan 0.000 0.405 43 K N 0.255 120.624 120.400 -0.051 0.000 2.057 43 K HA -0.120 4.200 4.320 0.000 0.000 0.206 43 K C 2.093 178.665 176.600 -0.046 0.000 1.050 43 K CA 1.178 57.430 56.287 -0.060 0.000 0.935 43 K CB -0.255 32.186 32.500 -0.099 0.000 0.715 43 K HN 0.056 nan 8.250 nan 0.000 0.439 44 R N 0.846 121.321 120.500 -0.042 0.000 2.103 44 R HA -0.157 4.184 4.340 0.000 0.000 0.242 44 R C 0.362 176.649 176.300 -0.021 0.000 1.142 44 R CA 2.070 58.152 56.100 -0.030 0.000 0.960 44 R CB -0.497 29.788 30.300 -0.024 0.000 0.858 44 R HN 0.257 nan 8.270 nan 0.000 0.439 45 D N -0.894 119.495 120.400 -0.019 0.000 2.336 45 D HA 0.090 4.730 4.640 0.000 0.000 0.229 45 D C 0.900 177.191 176.300 -0.014 0.000 1.061 45 D CA 0.990 54.982 54.000 -0.014 0.000 0.875 45 D CB 0.174 40.968 40.800 -0.012 0.000 0.904 45 D HN 0.557 nan 8.370 nan 0.000 0.525 46 G N 0.217 109.006 108.800 -0.018 0.000 2.143 46 G HA2 -0.189 3.771 3.960 0.000 0.000 0.249 46 G HA3 -0.189 3.771 3.960 0.000 0.000 0.249 46 G C 0.736 175.627 174.900 -0.016 0.000 0.981 46 G CA -0.023 45.067 45.100 -0.016 0.000 0.665 46 G HN 0.591 nan 8.290 nan 0.000 0.528 47 G N -0.750 108.039 108.800 -0.018 0.000 2.539 47 G HA2 0.512 4.472 3.960 0.000 0.000 0.258 47 G HA3 0.512 4.472 3.960 0.000 0.000 0.258 47 G C 0.201 175.090 174.900 -0.019 0.000 1.202 47 G CA -0.190 44.901 45.100 -0.016 0.000 0.851 47 G HN 0.512 nan 8.290 nan 0.000 0.556 48 R N 0.710 121.202 120.500 -0.013 0.000 2.390 48 R HA 0.319 4.660 4.340 0.000 0.000 0.291 48 R C -0.254 176.038 176.300 -0.013 0.000 1.070 48 R CA -0.437 55.656 56.100 -0.012 0.000 1.014 48 R CB 0.386 30.683 30.300 -0.006 0.000 1.007 48 R HN 0.382 nan 8.270 nan 0.000 0.466 49 L N 3.446 124.659 121.223 -0.017 0.000 2.292 49 L HA 0.252 4.592 4.340 0.000 0.000 0.284 49 L C 0.663 177.533 176.870 0.000 0.000 1.065 49 L CA -0.471 54.361 54.840 -0.013 0.000 0.806 49 L CB 1.689 43.731 42.059 -0.028 0.000 1.175 49 L HN 0.772 nan 8.230 nan 0.000 0.431 50 S N 0.951 116.655 115.700 0.007 0.000 2.608 50 S HA 0.055 4.526 4.470 0.000 0.000 0.261 50 S C 0.963 175.575 174.600 0.020 0.000 1.314 50 S CA -0.359 57.849 58.200 0.012 0.000 0.992 50 S CB 1.189 64.397 63.200 0.013 0.000 0.935 50 S HN 0.788 nan 8.310 nan 0.000 0.564 51 E N 1.007 121.219 120.200 0.020 0.000 2.085 51 E HA -0.211 4.139 4.350 0.000 0.000 0.194 51 E C 2.164 178.784 176.600 0.032 0.000 0.994 51 E CA 1.367 57.783 56.400 0.026 0.000 0.801 51 E CB -0.644 29.069 29.700 0.021 0.000 0.743 51 E HN 0.825 nan 8.360 nan 0.000 0.453 52 A N 1.370 124.207 122.820 0.028 0.000 1.908 52 A HA -0.240 4.080 4.320 0.000 0.000 0.218 52 A C 1.826 179.437 177.584 0.044 0.000 1.181 52 A CA 1.954 54.009 52.037 0.031 0.000 0.627 52 A CB -0.606 18.409 19.000 0.024 0.000 0.818 52 A HN 0.313 nan 8.150 nan 0.000 0.445 53 D N 0.167 120.592 120.400 0.042 0.000 2.087 53 D HA -0.163 4.477 4.640 0.000 0.000 0.192 53 D C 1.890 178.245 176.300 0.092 0.000 0.993 53 D CA 1.539 55.571 54.000 0.055 0.000 0.828 53 D CB -0.508 40.310 40.800 0.029 0.000 0.968 53 D HN 0.520 nan 8.370 nan 0.000 0.448 54 I N 0.783 121.400 120.570 0.079 0.000 2.163 54 I HA -0.276 3.894 4.170 0.000 0.000 0.243 54 I C 2.585 178.795 176.117 0.155 0.000 1.085 54 I CA 1.246 62.618 61.300 0.120 0.000 1.347 54 I CB -0.159 37.888 38.000 0.079 0.000 1.044 54 I HN -0.063 nan 8.210 nan 0.000 0.408 55 R N 0.501 121.059 120.500 0.096 0.000 2.096 55 R HA -0.094 4.246 4.340 0.000 0.000 0.235 55 R C 2.426 178.765 176.300 0.066 0.000 1.127 55 R CA 1.337 57.479 56.100 0.070 0.000 0.968 55 R CB -0.716 29.610 30.300 0.044 0.000 0.861 55 R HN 0.476 nan 8.270 nan 0.000 0.440 56 G N 0.946 109.794 108.800 0.081 0.000 2.421 56 G HA2 -0.307 3.653 3.960 0.000 0.000 0.216 56 G HA3 -0.307 3.653 3.960 0.000 0.000 0.216 56 G C 1.230 176.188 174.900 0.097 0.000 1.171 56 G CA 0.473 45.617 45.100 0.074 0.000 0.775 56 G HN 0.287 nan 8.290 nan 0.000 0.543 57 F N 1.364 121.320 119.950 0.010 0.000 2.102 57 F HA -0.093 4.434 4.527 0.000 0.000 0.298 57 F C 2.649 178.457 175.800 0.013 0.000 1.105 57 F CA 1.544 59.551 58.000 0.012 0.000 1.239 57 F CB -0.425 38.583 39.000 0.012 0.000 0.991 57 F HN 0.005 nan 8.300 nan 0.000 0.474 58 V N 0.778 120.642 119.914 -0.083 0.000 2.343 58 V HA -0.314 3.806 4.120 0.000 0.000 0.247 58 V C 2.805 178.797 176.094 -0.169 0.000 1.051 58 V CA 1.803 64.001 62.300 -0.170 0.000 1.036 58 V CB -1.578 30.252 31.823 0.011 0.000 0.654 58 V HN 0.529 nan 8.190 nan 0.000 0.451 59 A N 0.029 122.796 122.820 -0.090 0.000 1.892 59 A HA -0.206 4.114 4.320 0.000 0.000 0.218 59 A C 2.420 179.941 177.584 -0.105 0.000 1.188 59 A CA 2.385 54.378 52.037 -0.073 0.000 0.631 59 A CB -0.847 18.134 19.000 -0.032 0.000 0.822 59 A HN 0.602 nan 8.150 nan 0.000 0.447 60 A N -0.818 121.920 122.820 -0.136 0.000 1.930 60 A HA 0.051 4.371 4.320 0.000 0.000 0.217 60 A C 2.227 179.696 177.584 -0.191 0.000 1.175 60 A CA 1.644 53.601 52.037 -0.133 0.000 0.627 60 A CB -0.855 18.085 19.000 -0.099 0.000 0.815 60 A HN 0.382 nan 8.150 nan 0.000 0.443 61 V N -0.328 119.385 119.914 -0.335 0.000 2.295 61 V HA -0.241 3.879 4.120 0.000 0.000 0.246 61 V C 2.589 178.588 176.094 -0.158 0.000 1.049 61 V CA 2.101 64.219 62.300 -0.302 0.000 1.024 61 V CB -0.709 30.847 31.823 -0.444 0.000 0.648 61 V HN 0.386 nan 8.190 nan 0.000 0.447 62 V N 1.976 121.809 119.914 -0.134 0.000 2.343 62 V HA -0.207 3.914 4.120 0.000 0.000 0.247 62 V C 2.104 178.162 176.094 -0.060 0.000 1.051 62 V CA 2.243 64.495 62.300 -0.079 0.000 1.036 62 V CB -1.000 30.785 31.823 -0.064 0.000 0.654 62 V HN 0.909 nan 8.190 nan 0.000 0.451 63 N N 0.321 118.984 118.700 -0.061 0.000 2.398 63 N HA 0.181 4.921 4.740 0.000 0.000 0.188 63 N C 1.308 176.795 175.510 -0.038 0.000 1.122 63 N CA 1.073 54.098 53.050 -0.043 0.000 0.866 63 N CB 0.483 38.949 38.487 -0.036 0.000 0.970 63 N HN 0.454 nan 8.380 nan 0.000 0.462 64 G N -1.123 107.648 108.800 -0.047 0.000 2.195 64 G HA2 -0.335 3.625 3.960 0.000 0.000 0.246 64 G HA3 -0.335 3.625 3.960 0.000 0.000 0.246 64 G C 1.159 176.041 174.900 -0.031 0.000 0.984 64 G CA 0.404 45.483 45.100 -0.036 0.000 0.633 64 G HN 0.327 nan 8.290 nan 0.000 0.525 65 S N 0.282 115.961 115.700 -0.035 0.000 2.383 65 S HA 0.215 4.685 4.470 0.000 0.000 0.229 65 S C 1.732 176.322 174.600 -0.018 0.000 1.030 65 S CA 1.331 59.517 58.200 -0.023 0.000 1.002 65 S CB -0.151 63.036 63.200 -0.022 0.000 0.829 65 S HN 1.721 nan 8.310 nan 0.000 0.467 66 A N 2.158 124.952 122.820 -0.043 0.000 2.396 66 A HA 0.342 4.662 4.320 0.000 0.000 0.279 66 A C 0.236 177.815 177.584 -0.008 0.000 1.165 66 A CA -0.350 51.672 52.037 -0.026 0.000 0.824 66 A CB 0.104 19.037 19.000 -0.111 0.000 1.100 66 A HN 0.452 nan 8.150 nan 0.000 0.516 67 Q N 1.454 121.265 119.800 0.019 0.000 2.382 67 Q HA 0.345 4.686 4.340 0.000 0.000 0.229 67 Q C 1.645 177.666 176.000 0.035 0.000 1.006 67 Q CA 0.163 55.978 55.803 0.022 0.000 0.916 67 Q CB 0.713 29.466 28.738 0.024 0.000 1.235 67 Q HN 0.840 nan 8.270 nan 0.000 0.512 68 G N 0.946 109.764 108.800 0.031 0.000 2.529 68 G HA2 -0.374 3.586 3.960 0.000 0.000 0.219 68 G HA3 -0.374 3.586 3.960 0.000 0.000 0.219 68 G C 1.306 176.237 174.900 0.052 0.000 1.177 68 G CA 1.140 46.263 45.100 0.039 0.000 0.773 68 G HN 0.722 nan 8.290 nan 0.000 0.573 69 A N 0.070 122.917 122.820 0.045 0.000 1.978 69 A HA -0.093 4.227 4.320 0.000 0.000 0.220 69 A C 2.361 179.981 177.584 0.061 0.000 1.170 69 A CA 2.008 54.072 52.037 0.045 0.000 0.636 69 A CB -0.360 18.661 19.000 0.035 0.000 0.810 69 A HN 0.537 nan 8.150 nan 0.000 0.448 70 Q N -0.763 119.082 119.800 0.076 0.000 2.172 70 Q HA -0.004 4.336 4.340 0.000 0.000 0.200 70 Q C 1.952 178.063 176.000 0.185 0.000 0.964 70 Q CA 1.151 57.022 55.803 0.113 0.000 0.855 70 Q CB -0.237 28.572 28.738 0.117 0.000 0.918 70 Q HN 0.742 nan 8.270 nan 0.000 0.444 71 I N 0.529 121.206 120.570 0.179 0.000 2.179 71 I HA -0.195 3.975 4.170 0.000 0.000 0.242 71 I C 2.374 178.588 176.117 0.162 0.000 1.088 71 I CA 1.305 62.746 61.300 0.234 0.000 1.357 71 I CB -0.594 37.492 38.000 0.143 0.000 1.051 71 I HN 0.252 nan 8.210 nan 0.000 0.409 72 G N 0.319 109.178 108.800 0.099 0.000 2.418 72 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 72 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 72 G C 1.843 176.770 174.900 0.045 0.000 1.158 72 G CA 0.833 45.972 45.100 0.065 0.000 0.771 72 G HN 0.491 nan 8.290 nan 0.000 0.545 73 A N 0.182 123.028 122.820 0.043 0.000 1.898 73 A HA 0.053 4.373 4.320 0.000 0.000 0.216 73 A C 2.305 179.881 177.584 -0.014 0.000 1.181 73 A CA 2.177 54.224 52.037 0.017 0.000 0.620 73 A CB -0.353 18.659 19.000 0.020 0.000 0.819 73 A HN 0.387 nan 8.150 nan 0.000 0.442 74 M N -0.089 119.499 119.600 -0.021 0.000 2.086 74 M HA -0.031 4.449 4.480 0.000 0.000 0.261 74 M C 1.851 178.080 176.300 -0.119 0.000 1.067 74 M CA 1.557 56.767 55.300 -0.150 0.000 1.116 74 M CB -0.701 31.666 32.600 -0.388 0.000 1.348 74 M HN 0.350 nan 8.290 nan 0.000 0.407 75 L N -0.948 120.261 121.223 -0.024 0.000 2.046 75 L HA -0.229 4.112 4.340 0.000 0.000 0.208 75 L C 2.531 179.390 176.870 -0.019 0.000 1.077 75 L CA 1.421 56.258 54.840 -0.004 0.000 0.747 75 L CB -0.721 41.365 42.059 0.045 0.000 0.896 75 L HN 0.417 nan 8.230 nan 0.000 0.432 76 M N -0.138 119.454 119.600 -0.013 0.000 2.175 76 M HA -0.083 4.398 4.480 0.000 0.000 0.264 76 M C 2.262 178.546 176.300 -0.026 0.000 1.063 76 M CA 1.917 57.208 55.300 -0.014 0.000 1.119 76 M CB -0.479 32.118 32.600 -0.006 0.000 1.377 76 M HN 0.165 nan 8.290 nan 0.000 0.415 77 A N 0.319 123.116 122.820 -0.040 0.000 1.883 77 A HA -0.166 4.154 4.320 0.000 0.000 0.217 77 A C 2.217 179.770 177.584 -0.052 0.000 1.186 77 A CA 2.164 54.172 52.037 -0.049 0.000 0.624 77 A CB -1.193 17.767 19.000 -0.068 0.000 0.822 77 A HN 0.593 nan 8.150 nan 0.000 0.444 78 I N -1.068 119.462 120.570 -0.067 0.000 2.226 78 I HA -0.255 3.915 4.170 0.000 0.000 0.245 78 I C 2.668 178.767 176.117 -0.031 0.000 1.100 78 I CA 1.746 63.013 61.300 -0.056 0.000 1.374 78 I CB -0.256 37.704 38.000 -0.067 0.000 1.057 78 I HN 0.310 nan 8.210 nan 0.000 0.413 79 R N 1.410 121.894 120.500 -0.026 0.000 2.096 79 R HA -0.101 4.239 4.340 0.000 0.000 0.235 79 R C 1.940 178.232 176.300 -0.013 0.000 1.127 79 R CA 1.760 57.850 56.100 -0.017 0.000 0.968 79 R CB -0.474 29.816 30.300 -0.016 0.000 0.861 79 R HN 0.333 nan 8.270 nan 0.000 0.440 80 L N -0.808 120.405 121.223 -0.016 0.000 2.298 80 L HA 0.144 4.484 4.340 0.000 0.000 0.209 80 L C 1.708 178.570 176.870 -0.012 0.000 1.084 80 L CA 0.351 55.184 54.840 -0.012 0.000 0.816 80 L CB -0.021 42.031 42.059 -0.012 0.000 0.967 80 L HN 0.045 nan 8.230 nan 0.000 0.460 81 R N 0.081 120.571 120.500 -0.017 0.000 2.335 81 R HA 0.335 4.675 4.340 0.000 0.000 0.210 81 R C 0.699 176.990 176.300 -0.015 0.000 0.892 81 R CA 0.547 56.637 56.100 -0.017 0.000 1.048 81 R CB 0.062 30.348 30.300 -0.023 0.000 1.067 81 R HN 0.258 nan 8.270 nan 0.000 0.524 82 G N 1.322 110.113 108.800 -0.015 0.000 2.828 82 G HA2 -0.264 3.696 3.960 0.000 0.000 0.463 82 G HA3 -0.264 3.696 3.960 0.000 0.000 0.463 82 G C -0.550 174.343 174.900 -0.013 0.000 1.394 82 G CA -0.312 44.783 45.100 -0.009 0.000 0.862 82 G HN 0.110 nan 8.290 nan 0.000 0.540 83 M N 0.982 120.580 119.600 -0.005 0.000 2.433 83 M HA 0.348 4.828 4.480 0.000 0.000 0.290 83 M C -0.469 175.833 176.300 0.004 0.000 1.173 83 M CA -0.768 54.529 55.300 -0.004 0.000 0.905 83 M CB 2.252 34.850 32.600 -0.003 0.000 1.692 83 M HN 0.937 nan 8.290 nan 0.000 0.462 84 D N 1.276 121.678 120.400 0.003 0.000 2.398 84 D HA 0.210 4.851 4.640 0.000 0.000 0.247 84 D C 0.763 177.069 176.300 0.010 0.000 1.227 84 D CA -0.453 53.551 54.000 0.006 0.000 0.980 84 D CB 0.806 41.608 40.800 0.004 0.000 1.106 84 D HN 0.596 nan 8.370 nan 0.000 0.493 85 L N -0.791 120.439 121.223 0.011 0.000 2.079 85 L HA -0.152 4.188 4.340 0.000 0.000 0.210 85 L C 2.356 179.235 176.870 0.015 0.000 1.081 85 L CA 1.337 56.185 54.840 0.014 0.000 0.752 85 L CB -0.365 41.702 42.059 0.013 0.000 0.896 85 L HN 0.485 nan 8.230 nan 0.000 0.433 86 E N 0.318 120.525 120.200 0.013 0.000 2.051 86 E HA -0.216 4.134 4.350 0.000 0.000 0.192 86 E C 2.013 178.623 176.600 0.016 0.000 0.991 86 E CA 1.248 57.656 56.400 0.013 0.000 0.799 86 E CB 0.025 29.731 29.700 0.011 0.000 0.748 86 E HN 0.485 nan 8.360 nan 0.000 0.449 87 E N -0.496 119.712 120.200 0.013 0.000 2.058 87 E HA -0.152 4.198 4.350 0.000 0.000 0.194 87 E C 2.082 178.694 176.600 0.021 0.000 0.997 87 E CA 1.743 58.152 56.400 0.014 0.000 0.801 87 E CB -0.143 29.559 29.700 0.005 0.000 0.746 87 E HN 0.207 nan 8.360 nan 0.000 0.450 88 T N 0.397 114.964 114.554 0.021 0.000 2.684 88 T HA -0.208 4.143 4.350 0.000 0.000 0.267 88 T C 2.049 176.768 174.700 0.031 0.000 1.036 88 T CA 1.517 63.634 62.100 0.027 0.000 1.148 88 T CB -0.330 68.554 68.868 0.027 0.000 0.863 88 T HN 0.107 nan 8.240 nan 0.000 0.436 89 S N 0.371 116.087 115.700 0.027 0.000 2.356 89 S HA -0.111 4.359 4.470 0.000 0.000 0.223 89 S C 2.163 176.781 174.600 0.029 0.000 1.032 89 S CA 1.257 59.473 58.200 0.027 0.000 1.005 89 S CB -0.527 62.687 63.200 0.022 0.000 0.867 89 S HN 0.298 nan 8.310 nan 0.000 0.449 90 V N 2.168 122.100 119.914 0.029 0.000 2.427 90 V HA -0.084 4.037 4.120 0.000 0.000 0.248 90 V C 2.423 178.544 176.094 0.044 0.000 1.051 90 V CA 1.633 63.953 62.300 0.033 0.000 1.048 90 V CB -0.641 31.201 31.823 0.031 0.000 0.666 90 V HN 0.527 nan 8.190 nan 0.000 0.456 91 L N -0.114 121.138 121.223 0.049 0.000 2.083 91 L HA -0.179 4.161 4.340 0.000 0.000 0.209 91 L C 2.494 179.400 176.870 0.061 0.000 1.083 91 L CA 2.212 57.092 54.840 0.066 0.000 0.752 91 L CB -0.621 41.478 42.059 0.067 0.000 0.899 91 L HN 0.417 nan 8.230 nan 0.000 0.433 92 T N -0.592 113.991 114.554 0.048 0.000 2.777 92 T HA -0.225 4.125 4.350 0.000 0.000 0.266 92 T C 1.788 176.511 174.700 0.038 0.000 1.040 92 T CA 1.392 63.518 62.100 0.043 0.000 1.141 92 T CB -0.110 68.780 68.868 0.036 0.000 0.868 92 T HN 0.438 nan 8.240 nan 0.000 0.444 93 Q N 0.572 120.393 119.800 0.035 0.000 2.079 93 Q HA 0.047 4.387 4.340 0.000 0.000 0.200 93 Q C 2.726 178.744 176.000 0.030 0.000 0.974 93 Q CA 1.330 57.151 55.803 0.030 0.000 0.840 93 Q CB -0.290 28.464 28.738 0.026 0.000 0.898 93 Q HN 0.545 nan 8.270 nan 0.000 0.430 94 A N 0.875 123.718 122.820 0.038 0.000 1.898 94 A HA -0.133 4.187 4.320 0.000 0.000 0.216 94 A C 2.061 179.665 177.584 0.033 0.000 1.181 94 A CA 0.994 53.054 52.037 0.038 0.000 0.620 94 A CB -0.622 18.411 19.000 0.056 0.000 0.819 94 A HN 0.268 nan 8.150 nan 0.000 0.442 95 L N -0.814 120.435 121.223 0.043 0.000 2.046 95 L HA -0.191 4.149 4.340 0.000 0.000 0.208 95 L C 3.100 179.987 176.870 0.027 0.000 1.077 95 L CA 1.117 55.980 54.840 0.039 0.000 0.747 95 L CB -0.716 41.376 42.059 0.055 0.000 0.896 95 L HN 0.445 nan 8.230 nan 0.000 0.432 96 A N -0.150 122.686 122.820 0.027 0.000 1.902 96 A HA -0.226 4.094 4.320 0.000 0.000 0.217 96 A C 2.097 179.688 177.584 0.013 0.000 1.181 96 A CA 1.456 53.506 52.037 0.022 0.000 0.623 96 A CB -0.417 18.598 19.000 0.024 0.000 0.818 96 A HN 0.514 nan 8.150 nan 0.000 0.443 97 Q N 0.188 119.994 119.800 0.011 0.000 2.403 97 Q HA 0.014 4.354 4.340 0.000 0.000 0.203 97 Q C 1.776 177.775 176.000 -0.002 0.000 0.932 97 Q CA 0.672 56.477 55.803 0.003 0.000 0.945 97 Q CB 0.007 28.748 28.738 0.005 0.000 1.045 97 Q HN 0.818 nan 8.270 nan 0.000 0.511 98 S N -1.127 114.572 115.700 -0.001 0.000 2.522 98 S HA 0.090 4.560 4.470 0.000 0.000 0.227 98 S C 0.968 175.560 174.600 -0.014 0.000 0.986 98 S CA 0.306 58.500 58.200 -0.010 0.000 0.929 98 S CB 0.343 63.536 63.200 -0.011 0.000 0.769 98 S HN 0.338 nan 8.310 nan 0.000 0.529 99 G N 0.001 108.794 108.800 -0.011 0.000 3.247 99 G HA2 0.552 4.512 3.960 0.000 0.000 0.199 99 G HA3 0.552 4.512 3.960 0.000 0.000 0.199 99 G C -1.394 173.493 174.900 -0.022 0.000 1.172 99 G CA -0.892 44.198 45.100 -0.017 0.000 0.844 99 G HN 0.344 nan 8.290 nan 0.000 0.619 100 Q N -0.163 119.619 119.800 -0.029 0.000 2.227 100 Q HA 0.453 4.793 4.340 0.000 0.000 0.245 100 Q C -0.687 175.284 176.000 -0.049 0.000 0.926 100 Q CA -0.429 55.347 55.803 -0.045 0.000 0.895 100 Q CB 1.868 30.570 28.738 -0.061 0.000 1.230 100 Q HN 0.449 nan 8.270 nan 0.000 0.450 101 Q N 1.596 121.359 119.800 -0.063 0.000 2.243 101 Q HA 0.320 4.660 4.340 0.000 0.000 0.252 101 Q C -1.472 174.441 176.000 -0.145 0.000 0.909 101 Q CA -0.190 55.571 55.803 -0.070 0.000 0.922 101 Q CB 0.753 29.459 28.738 -0.054 0.000 1.215 101 Q HN 0.536 nan 8.270 nan 0.000 0.427 102 L N 3.997 125.113 121.223 -0.179 0.000 2.331 102 L HA 0.331 4.672 4.340 0.000 0.000 0.278 102 L C 0.098 176.615 176.870 -0.588 0.000 1.106 102 L CA -0.198 54.379 54.840 -0.438 0.000 0.824 102 L CB 0.679 42.491 42.059 -0.413 0.000 1.142 102 L HN 0.612 nan 8.230 nan 0.000 0.443 103 E N 3.129 122.891 120.200 -0.730 0.000 2.199 103 E HA 0.383 4.733 4.350 0.000 0.000 0.269 103 E C -1.458 174.742 176.600 -0.667 0.000 0.899 103 E CA -0.440 55.646 56.400 -0.523 0.000 0.772 103 E CB 2.034 31.562 29.700 -0.287 0.000 1.155 103 E HN 0.393 nan 8.360 nan 0.000 0.408 104 W N 1.266 122.546 121.300 -0.032 0.000 2.882 104 W HA 0.378 5.038 4.660 0.000 0.000 0.345 104 W C -2.084 174.290 176.519 -0.242 0.000 1.125 104 W CA -2.117 55.163 57.345 -0.109 0.000 1.167 104 W CB 0.115 29.644 29.460 0.116 0.000 1.431 104 W HN 0.286 nan 8.180 nan 0.000 0.543 105 P HA -0.119 nan 4.420 nan 0.000 0.263 105 P C 1.046 178.256 177.300 -0.149 0.000 1.175 105 P CA 0.420 63.287 63.100 -0.388 0.000 0.761 105 P CB 0.698 31.860 31.700 -0.896 0.000 0.794 106 E N 3.090 123.251 120.200 -0.066 0.000 2.130 106 E HA -0.259 4.091 4.350 0.000 0.000 0.196 106 E C 1.560 178.205 176.600 0.075 0.000 0.998 106 E CA 2.165 58.577 56.400 0.021 0.000 0.806 106 E CB -1.405 28.299 29.700 0.007 0.000 0.738 106 E HN 0.477 nan 8.360 nan 0.000 0.459 107 A N 0.330 123.189 122.820 0.065 0.000 2.125 107 A HA -0.096 4.224 4.320 0.000 0.000 0.219 107 A C 1.576 179.372 177.584 0.353 0.000 1.156 107 A CA 1.108 53.249 52.037 0.173 0.000 0.671 107 A CB -0.907 18.195 19.000 0.171 0.000 0.794 107 A HN 0.338 nan 8.150 nan 0.000 0.459 108 W N -0.275 121.053 121.300 0.045 0.000 2.863 108 W HA 0.194 4.855 4.660 0.000 0.000 0.258 108 W C 2.074 178.605 176.519 0.020 0.000 1.298 108 W CA -0.260 57.092 57.345 0.012 0.000 1.451 108 W CB -0.636 28.816 29.460 -0.014 0.000 1.107 108 W HN 0.456 nan 8.180 nan 0.000 0.641 109 R N 0.712 121.375 120.500 0.271 0.000 2.140 109 R HA -0.247 4.093 4.340 0.000 0.000 0.250 109 R C 1.967 178.352 176.300 0.140 0.000 1.150 109 R CA 1.995 58.208 56.100 0.189 0.000 0.966 109 R CB -0.334 30.049 30.300 0.137 0.000 0.869 109 R HN 0.097 nan 8.270 nan 0.000 0.445 110 Q N -0.279 119.602 119.800 0.135 0.000 2.331 110 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 110 Q C 1.782 177.922 176.000 0.234 0.000 0.944 110 Q CA 1.048 56.926 55.803 0.126 0.000 0.892 110 Q CB 0.418 29.207 28.738 0.084 0.000 0.983 110 Q HN 0.594 nan 8.270 nan 0.000 0.482 111 Q N -0.153 119.738 119.800 0.152 0.000 2.389 111 Q HA 0.081 4.421 4.340 0.000 0.000 0.204 111 Q C 0.117 176.078 176.000 -0.065 0.000 0.944 111 Q CA 0.049 55.859 55.803 0.013 0.000 0.908 111 Q CB 0.298 28.953 28.738 -0.138 0.000 1.002 111 Q HN 0.236 nan 8.270 nan 0.000 0.493 112 L N 2.260 123.469 121.223 -0.024 0.000 2.385 112 L HA 0.128 4.469 4.340 0.000 0.000 0.281 112 L C -0.200 176.662 176.870 -0.013 0.000 1.106 112 L CA -0.449 54.348 54.840 -0.072 0.000 0.856 112 L CB 0.151 42.184 42.059 -0.043 0.000 1.186 112 L HN -0.094 nan 8.230 nan 0.000 0.453 113 V N -0.588 119.303 119.914 -0.037 0.000 3.078 113 V HA 0.810 4.930 4.120 0.000 0.000 0.311 113 V C -1.171 174.928 176.094 0.008 0.000 1.138 113 V CA -0.657 61.646 62.300 0.005 0.000 1.007 113 V CB 2.527 34.357 31.823 0.012 0.000 1.045 113 V HN 0.565 nan 8.190 nan 0.000 0.432 114 D N 0.618 121.044 120.400 0.042 0.000 2.622 114 D HA 0.497 5.138 4.640 0.000 0.000 0.255 114 D C -1.804 174.545 176.300 0.082 0.000 1.246 114 D CA -0.421 53.616 54.000 0.061 0.000 0.795 114 D CB 2.687 43.541 40.800 0.091 0.000 1.369 114 D HN 0.805 nan 8.370 nan 0.000 0.425 115 K N 1.236 121.690 120.400 0.089 0.000 2.422 115 K HA 0.475 4.795 4.320 0.000 0.000 0.251 115 K C -1.710 174.972 176.600 0.136 0.000 0.933 115 K CA -0.501 55.844 56.287 0.097 0.000 0.798 115 K CB 1.498 34.030 32.500 0.053 0.000 1.238 115 K HN 0.660 nan 8.250 nan 0.000 0.428 116 H N -0.445 118.664 119.070 0.066 0.000 2.851 116 H HA 0.473 5.029 4.556 0.000 0.000 0.372 116 H C -1.133 174.245 175.328 0.082 0.000 1.158 116 H CA -0.193 55.901 56.048 0.077 0.000 1.159 116 H CB 1.861 31.675 29.762 0.087 0.000 1.757 116 H HN 0.466 nan 8.280 nan 0.000 0.546 117 S N 0.644 116.373 115.700 0.047 0.000 2.537 117 S HA 0.124 4.594 4.470 0.000 0.000 0.301 117 S C 0.925 175.662 174.600 0.229 0.000 1.092 117 S CA -0.176 58.096 58.200 0.120 0.000 1.048 117 S CB 1.530 64.751 63.200 0.034 0.000 1.053 117 S HN 0.834 nan 8.310 nan 0.000 0.501 118 T N -0.525 114.165 114.554 0.226 0.000 3.035 118 T HA 0.389 4.740 4.350 0.000 0.000 0.268 118 T C 0.866 175.643 174.700 0.129 0.000 1.109 118 T CA 0.446 62.680 62.100 0.224 0.000 1.119 118 T CB -0.408 68.655 68.868 0.325 0.000 0.900 118 T HN 1.273 nan 8.240 nan 0.000 0.503 119 G N -1.253 107.610 108.800 0.105 0.000 2.435 119 G HA2 0.466 4.426 3.960 0.000 0.000 0.603 119 G HA3 0.466 4.426 3.960 0.000 0.000 0.603 119 G C -0.484 174.445 174.900 0.048 0.000 1.496 119 G CA -0.514 44.614 45.100 0.046 0.000 0.896 119 G HN 1.088 nan 8.290 nan 0.000 0.657 120 G N -0.830 107.989 108.800 0.031 0.000 2.752 120 G HA2 0.666 4.626 3.960 0.000 0.000 0.298 120 G HA3 0.666 4.626 3.960 0.000 0.000 0.298 120 G C -0.751 174.164 174.900 0.026 0.000 1.434 120 G CA -0.016 45.106 45.100 0.036 0.000 1.004 120 G HN 1.487 nan 8.290 nan 0.000 0.560 121 V N 1.767 121.704 119.914 0.039 0.000 2.479 121 V HA 0.474 4.594 4.120 0.000 0.000 0.281 121 V C 1.625 177.725 176.094 0.010 0.000 1.031 121 V CA 1.544 63.866 62.300 0.036 0.000 1.038 121 V CB 0.683 32.544 31.823 0.063 0.000 0.981 121 V HN 2.229 nan 8.190 nan 0.000 0.478 122 G N 4.030 112.822 108.800 -0.014 0.000 2.153 122 G HA2 -0.238 3.722 3.960 0.000 0.000 0.252 122 G HA3 -0.238 3.722 3.960 0.000 0.000 0.252 122 G C 0.076 174.957 174.900 -0.031 0.000 0.994 122 G CA 0.260 45.342 45.100 -0.030 0.000 0.698 122 G HN 0.842 nan 8.290 nan 0.000 0.521 123 D N 0.885 121.270 120.400 -0.025 0.000 2.374 123 D HA 0.326 4.967 4.640 0.000 0.000 0.240 123 D C 1.315 177.590 176.300 -0.041 0.000 1.229 123 D CA -0.128 53.857 54.000 -0.025 0.000 0.895 123 D CB 0.185 40.980 40.800 -0.009 0.000 1.046 123 D HN 0.509 nan 8.370 nan 0.000 0.498 124 K N 3.060 123.429 120.400 -0.052 0.000 2.618 124 K HA 0.105 4.425 4.320 0.000 0.000 0.207 124 K C 0.546 177.102 176.600 -0.074 0.000 1.058 124 K CA -0.344 55.903 56.287 -0.067 0.000 1.086 124 K CB 0.226 32.677 32.500 -0.081 0.000 0.827 124 K HN 0.136 nan 8.250 nan 0.000 0.481 125 V N 1.119 120.998 119.914 -0.057 0.000 2.392 125 V HA -0.261 3.859 4.120 0.000 0.000 0.249 125 V C 2.058 178.117 176.094 -0.060 0.000 1.059 125 V CA 2.229 64.496 62.300 -0.054 0.000 1.051 125 V CB -0.413 31.390 31.823 -0.033 0.000 0.658 125 V HN 0.476 nan 8.190 nan 0.000 0.455 126 S N -0.177 115.490 115.700 -0.055 0.000 2.383 126 S HA -0.075 4.395 4.470 0.000 0.000 0.227 126 S C 1.879 176.453 174.600 -0.043 0.000 1.026 126 S CA 1.286 59.459 58.200 -0.046 0.000 0.981 126 S CB -0.331 62.837 63.200 -0.055 0.000 0.818 126 S HN 0.488 nan 8.310 nan 0.000 0.472 127 L N 0.918 122.098 121.223 -0.070 0.000 2.127 127 L HA -0.106 4.235 4.340 0.000 0.000 0.211 127 L C 2.129 178.860 176.870 -0.231 0.000 1.089 127 L CA 0.928 55.703 54.840 -0.109 0.000 0.757 127 L CB -0.567 41.398 42.059 -0.158 0.000 0.899 127 L HN 0.239 nan 8.230 nan 0.000 0.434 128 V N -1.185 118.612 119.914 -0.196 0.000 2.575 128 V HA -0.140 3.980 4.120 0.000 0.000 0.242 128 V C 2.073 178.101 176.094 -0.110 0.000 1.045 128 V CA 0.723 62.902 62.300 -0.202 0.000 1.065 128 V CB -0.047 31.680 31.823 -0.160 0.000 0.717 128 V HN 0.228 nan 8.190 nan 0.000 0.467 129 L N 0.904 122.085 121.223 -0.070 0.000 2.109 129 L HA 0.108 4.448 4.340 0.000 0.000 0.207 129 L C 2.431 179.286 176.870 -0.025 0.000 1.086 129 L CA 2.049 56.864 54.840 -0.041 0.000 0.760 129 L CB -0.908 41.135 42.059 -0.027 0.000 0.910 129 L HN 0.224 nan 8.230 nan 0.000 0.437 130 A N 0.862 123.678 122.820 -0.008 0.000 1.858 130 A HA -0.086 4.234 4.320 0.000 0.000 0.216 130 A C -0.090 177.502 177.584 0.014 0.000 1.190 130 A CA 1.898 53.942 52.037 0.012 0.000 0.617 130 A CB -2.108 16.920 19.000 0.047 0.000 0.827 130 A HN 0.460 nan 8.150 nan 0.000 0.443 131 P HA -0.068 nan 4.420 nan 0.000 0.219 131 P C 1.505 178.808 177.300 0.006 0.000 1.150 131 P CA 1.770 64.908 63.100 0.063 0.000 0.814 131 P CB -0.121 31.681 31.700 0.170 0.000 0.787 132 A N 0.307 123.115 122.820 -0.020 0.000 1.898 132 A HA -0.105 4.216 4.320 0.000 0.000 0.216 132 A C 2.409 179.968 177.584 -0.042 0.000 1.181 132 A CA 1.198 53.215 52.037 -0.033 0.000 0.620 132 A CB -1.562 17.413 19.000 -0.042 0.000 0.819 132 A HN 0.117 nan 8.150 nan 0.000 0.442 133 L N -0.805 120.390 121.223 -0.046 0.000 2.093 133 L HA -0.170 4.171 4.340 0.000 0.000 0.208 133 L C 3.084 179.894 176.870 -0.100 0.000 1.085 133 L CA 0.924 55.723 54.840 -0.068 0.000 0.755 133 L CB -0.529 41.493 42.059 -0.062 0.000 0.904 133 L HN 0.440 nan 8.230 nan 0.000 0.435 134 A N 0.163 122.928 122.820 -0.092 0.000 1.940 134 A HA -0.194 4.126 4.320 0.000 0.000 0.219 134 A C 2.472 179.993 177.584 -0.104 0.000 1.176 134 A CA 1.757 53.723 52.037 -0.118 0.000 0.631 134 A CB -0.633 18.310 19.000 -0.096 0.000 0.814 134 A HN 0.409 nan 8.150 nan 0.000 0.446 135 A N -1.603 121.175 122.820 -0.069 0.000 2.067 135 A HA -0.055 4.265 4.320 0.000 0.000 0.219 135 A C 1.794 179.339 177.584 -0.066 0.000 1.158 135 A CA 1.376 53.379 52.037 -0.056 0.000 0.661 135 A CB -0.880 18.099 19.000 -0.034 0.000 0.801 135 A HN 0.592 nan 8.150 nan 0.000 0.452 136 C N -0.683 118.567 119.300 -0.083 0.000 2.625 136 C HA 0.477 4.938 4.460 0.000 0.000 0.285 136 C C 1.790 176.696 174.990 -0.140 0.000 1.279 136 C CA 0.025 58.989 59.018 -0.090 0.000 1.698 136 C CB -1.345 26.348 27.740 -0.079 0.000 1.821 136 C HN 1.023 nan 8.230 nan 0.000 0.600 137 G N 0.184 108.892 108.800 -0.152 0.000 2.160 137 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 137 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 137 G C -0.003 174.727 174.900 -0.283 0.000 1.022 137 G CA 0.103 45.087 45.100 -0.192 0.000 0.741 137 G HN 0.540 nan 8.290 nan 0.000 0.508 138 C N 0.212 119.346 119.300 -0.275 0.000 2.345 138 C HA 0.838 5.298 4.460 0.000 0.000 0.370 138 C C 0.266 175.074 174.990 -0.304 0.000 1.209 138 C CA -1.002 57.836 59.018 -0.299 0.000 2.133 138 C CB 1.702 29.299 27.740 -0.238 0.000 2.293 138 C HN 0.410 nan 8.230 nan 0.000 0.544 139 K N 1.487 121.690 120.400 -0.329 0.000 2.274 139 K HA 0.576 4.897 4.320 0.000 0.000 0.262 139 K C -1.413 175.011 176.600 -0.294 0.000 0.961 139 K CA -0.308 55.733 56.287 -0.411 0.000 0.833 139 K CB 1.655 33.775 32.500 -0.634 0.000 1.102 139 K HN 0.428 nan 8.250 nan 0.000 0.436 140 V N 4.926 124.695 119.914 -0.242 0.000 2.289 140 V HA 0.212 4.332 4.120 0.000 0.000 0.272 140 V C -2.178 173.848 176.094 -0.114 0.000 1.026 140 V CA -1.496 60.722 62.300 -0.136 0.000 0.807 140 V CB 1.407 33.187 31.823 -0.072 0.000 1.044 140 V HN 0.532 nan 8.190 nan 0.000 0.443 141 P HA 0.199 nan 4.420 nan 0.000 0.219 141 P C -0.073 177.288 177.300 0.100 0.000 1.832 141 P CA -0.234 62.861 63.100 -0.007 0.000 1.014 141 P CB 0.336 32.042 31.700 0.011 0.000 1.939 142 M N 3.028 122.678 119.600 0.084 0.000 2.220 142 M HA 0.211 4.691 4.480 0.000 0.000 0.343 142 M C -0.532 175.847 176.300 0.133 0.000 1.470 142 M CA -0.181 55.186 55.300 0.111 0.000 1.161 142 M CB -0.113 32.539 32.600 0.087 0.000 1.737 142 M HN 0.042 nan 8.290 nan 0.000 0.464 143 I N 4.199 124.860 120.570 0.153 0.000 2.312 143 I HA 0.204 4.374 4.170 0.000 0.000 0.291 143 I C 0.267 176.490 176.117 0.176 0.000 1.031 143 I CA -0.162 61.221 61.300 0.138 0.000 1.293 143 I CB 1.328 39.399 38.000 0.118 0.000 1.403 143 I HN 0.679 nan 8.210 nan 0.000 0.484 144 S N 3.889 119.663 115.700 0.124 0.000 2.841 144 S HA 0.911 5.381 4.470 0.000 0.000 0.274 144 S C -0.247 174.375 174.600 0.037 0.000 1.044 144 S CA -0.337 57.933 58.200 0.117 0.000 0.952 144 S CB 1.808 65.032 63.200 0.039 0.000 1.331 144 S HN 0.748 nan 8.310 nan 0.000 0.610 145 G N 0.012 108.813 108.800 0.003 0.000 2.692 145 G HA2 0.579 4.539 3.960 0.000 0.000 0.291 145 G HA3 0.579 4.539 3.960 0.000 0.000 0.291 145 G C -1.316 173.591 174.900 0.010 0.000 1.423 145 G CA -0.736 44.274 45.100 -0.151 0.000 0.843 145 G HN 0.652 nan 8.290 nan 0.000 0.486 146 R N -0.727 119.776 120.500 0.004 0.000 2.584 146 R HA 0.526 4.866 4.340 0.000 0.000 0.253 146 R C 1.212 177.701 176.300 0.315 0.000 1.251 146 R CA 0.027 56.225 56.100 0.164 0.000 1.129 146 R CB 0.150 30.527 30.300 0.128 0.000 1.239 146 R HN 0.619 nan 8.270 nan 0.000 0.595 147 G N 0.083 109.026 108.800 0.238 0.000 2.614 147 G HA2 0.288 4.249 3.960 0.000 0.000 0.239 147 G HA3 0.288 4.249 3.960 0.000 0.000 0.239 147 G C -1.070 173.932 174.900 0.171 0.000 1.240 147 G CA -0.182 45.040 45.100 0.203 0.000 0.842 147 G HN 0.165 nan 8.290 nan 0.000 0.584 148 L N 1.396 122.654 121.223 0.058 0.000 2.611 148 L HA 0.560 4.900 4.340 0.000 0.000 0.263 148 L C 0.756 177.566 176.870 -0.100 0.000 0.969 148 L CA 1.111 55.901 54.840 -0.083 0.000 0.894 148 L CB 0.871 42.789 42.059 -0.234 0.000 1.229 148 L HN 1.494 nan 8.230 nan 0.000 0.416 149 G N 3.430 112.199 108.800 -0.052 0.000 2.565 149 G HA2 -0.346 3.614 3.960 0.000 0.000 0.295 149 G HA3 -0.346 3.614 3.960 0.000 0.000 0.295 149 G C 0.666 175.553 174.900 -0.022 0.000 1.165 149 G CA 0.571 45.616 45.100 -0.091 0.000 0.977 149 G HN 1.153 nan 8.290 nan 0.000 0.546 150 H N 0.499 119.549 119.070 -0.034 0.000 2.520 150 H HA 0.406 4.962 4.556 0.000 0.000 0.284 150 H C 0.089 175.452 175.328 0.058 0.000 1.037 150 H CA 0.892 56.944 56.048 0.008 0.000 1.168 150 H CB -0.157 29.553 29.762 -0.086 0.000 1.497 150 H HN 0.393 nan 8.280 nan 0.000 0.547 151 T N 1.288 115.804 114.554 -0.063 0.000 2.794 151 T HA 0.451 4.801 4.350 0.000 0.000 0.280 151 T C 0.757 175.486 174.700 0.049 0.000 0.987 151 T CA -0.346 61.749 62.100 -0.008 0.000 0.993 151 T CB 1.880 70.698 68.868 -0.082 0.000 0.939 151 T HN 0.479 nan 8.240 nan 0.000 0.449 152 G N 1.136 109.965 108.800 0.048 0.000 2.539 152 G HA2 0.554 4.514 3.960 0.000 0.000 0.258 152 G HA3 0.554 4.514 3.960 0.000 0.000 0.258 152 G C 0.089 175.039 174.900 0.082 0.000 1.202 152 G CA -0.622 44.522 45.100 0.073 0.000 0.851 152 G HN 0.893 nan 8.290 nan 0.000 0.556 153 G N -0.663 108.225 108.800 0.147 0.000 2.448 153 G HA2 0.435 4.396 3.960 0.000 0.000 0.324 153 G HA3 0.435 4.396 3.960 0.000 0.000 0.324 153 G C 0.861 175.820 174.900 0.098 0.000 1.203 153 G CA 0.010 45.188 45.100 0.129 0.000 0.954 153 G HN 0.491 nan 8.290 nan 0.000 0.480 154 T N 2.063 116.644 114.554 0.045 0.000 2.685 154 T HA -0.185 4.165 4.350 0.000 0.000 0.268 154 T C 2.475 177.185 174.700 0.017 0.000 1.034 154 T CA 1.258 63.366 62.100 0.014 0.000 1.149 154 T CB -0.259 68.600 68.868 -0.015 0.000 0.860 154 T HN 0.319 nan 8.240 nan 0.000 0.449 155 L N 0.765 122.009 121.223 0.035 0.000 2.083 155 L HA -0.125 4.215 4.340 0.000 0.000 0.209 155 L C 2.502 179.390 176.870 0.030 0.000 1.083 155 L CA 1.237 56.098 54.840 0.034 0.000 0.752 155 L CB -0.605 41.477 42.059 0.039 0.000 0.899 155 L HN 0.194 nan 8.230 nan 0.000 0.433 156 D N 0.181 120.618 120.400 0.061 0.000 2.144 156 D HA -0.132 4.508 4.640 0.000 0.000 0.200 156 D C 2.180 178.530 176.300 0.083 0.000 0.978 156 D CA 1.024 55.042 54.000 0.028 0.000 0.833 156 D CB 0.045 40.855 40.800 0.017 0.000 0.961 156 D HN 0.304 nan 8.370 nan 0.000 0.470 157 K N 0.340 120.859 120.400 0.199 0.000 2.026 157 K HA -0.048 4.272 4.320 0.000 0.000 0.208 157 K C 2.314 178.908 176.600 -0.009 0.000 1.048 157 K CA 0.626 57.002 56.287 0.149 0.000 0.929 157 K CB -0.159 32.375 32.500 0.057 0.000 0.713 157 K HN 0.108 nan 8.250 nan 0.000 0.439 158 L N 1.230 122.377 121.223 -0.126 0.000 2.131 158 L HA -0.162 4.178 4.340 0.000 0.000 0.210 158 L C 1.920 178.628 176.870 -0.270 0.000 1.092 158 L CA 1.160 55.769 54.840 -0.385 0.000 0.759 158 L CB -0.272 41.295 42.059 -0.819 0.000 0.903 158 L HN 0.209 nan 8.230 nan 0.000 0.435 159 E N -0.368 119.780 120.200 -0.085 0.000 2.472 159 E HA -0.133 4.217 4.350 0.000 0.000 0.200 159 E C 2.078 178.678 176.600 -0.001 0.000 1.046 159 E CA 0.933 57.339 56.400 0.010 0.000 0.871 159 E CB 0.032 29.743 29.700 0.019 0.000 0.806 159 E HN 0.548 nan 8.360 nan 0.000 0.533 160 S N 0.405 116.095 115.700 -0.017 0.000 2.481 160 S HA -0.026 4.444 4.470 0.000 0.000 0.231 160 S C 0.986 175.591 174.600 0.007 0.000 0.996 160 S CA 0.099 58.297 58.200 -0.002 0.000 0.942 160 S CB -0.274 62.935 63.200 0.015 0.000 0.768 160 S HN 0.091 nan 8.310 nan 0.000 0.520 161 I N 3.404 123.977 120.570 0.004 0.000 2.363 161 I HA 0.275 4.445 4.170 0.000 0.000 0.292 161 I C -2.582 173.579 176.117 0.074 0.000 1.075 161 I CA -2.444 58.876 61.300 0.033 0.000 1.333 161 I CB 0.389 38.399 38.000 0.017 0.000 1.415 161 I HN -0.079 nan 8.210 nan 0.000 0.502 162 P HA -0.001 nan 4.420 nan 0.000 0.260 162 P C 0.936 178.272 177.300 0.060 0.000 1.185 162 P CA 0.790 63.918 63.100 0.047 0.000 0.763 162 P CB 0.551 32.267 31.700 0.027 0.000 0.776 163 G N 2.757 111.592 108.800 0.059 0.000 2.199 163 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 163 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 163 G C 0.062 174.990 174.900 0.046 0.000 0.982 163 G CA -0.530 44.592 45.100 0.037 0.000 0.632 163 G HN 0.525 nan 8.290 nan 0.000 0.529 164 F N 2.270 122.201 119.950 -0.031 0.000 2.541 164 F HA 0.558 5.085 4.527 0.000 0.000 0.378 164 F C 0.383 176.169 175.800 -0.024 0.000 1.068 164 F CA -0.647 57.331 58.000 -0.036 0.000 1.199 164 F CB 0.603 39.580 39.000 -0.037 0.000 1.091 164 F HN 0.087 nan 8.300 nan 0.000 0.555 165 N N 5.153 123.614 118.700 -0.399 0.000 2.444 165 N HA 0.188 4.929 4.740 0.000 0.000 0.262 165 N C 0.517 175.906 175.510 -0.202 0.000 0.974 165 N CA -0.472 52.460 53.050 -0.195 0.000 0.933 165 N CB 1.486 39.866 38.487 -0.178 0.000 1.137 165 N HN 0.482 nan 8.380 nan 0.000 0.498 166 V N 1.784 121.729 119.914 0.052 0.000 3.306 166 V HA 0.329 4.449 4.120 0.000 0.000 0.264 166 V C 0.839 176.959 176.094 0.044 0.000 1.149 166 V CA 0.685 63.064 62.300 0.131 0.000 1.143 166 V CB -0.426 31.505 31.823 0.180 0.000 0.767 166 V HN 0.502 nan 8.190 nan 0.000 0.476 167 I N 1.824 122.395 120.570 0.002 0.000 2.304 167 I HA 0.570 4.740 4.170 0.000 0.000 0.291 167 I C -0.382 175.722 176.117 -0.022 0.000 1.018 167 I CA 0.095 61.393 61.300 -0.004 0.000 1.260 167 I CB 1.300 39.297 38.000 -0.004 0.000 1.390 167 I HN 0.285 nan 8.210 nan 0.000 0.475 168 Q N 4.517 124.313 119.800 -0.006 0.000 2.271 168 Q HA 0.291 4.632 4.340 0.000 0.000 0.268 168 Q C -0.467 175.541 176.000 0.013 0.000 1.021 168 Q CA -0.481 55.319 55.803 -0.006 0.000 0.802 168 Q CB 2.154 30.890 28.738 -0.003 0.000 1.282 168 Q HN 0.740 nan 8.270 nan 0.000 0.431 169 S N 2.754 118.458 115.700 0.006 0.000 2.593 169 S HA 0.327 4.797 4.470 0.000 0.000 0.269 169 S C -1.696 172.913 174.600 0.015 0.000 1.334 169 S CA -0.713 57.489 58.200 0.003 0.000 1.015 169 S CB 0.661 63.856 63.200 -0.008 0.000 0.912 169 S HN 0.533 nan 8.310 nan 0.000 0.541 170 P HA -0.212 nan 4.420 nan 0.000 0.217 170 P C 1.597 178.876 177.300 -0.036 0.000 1.151 170 P CA 1.698 64.768 63.100 -0.050 0.000 0.849 170 P CB -0.066 31.569 31.700 -0.109 0.000 0.787 171 E N -0.036 120.151 120.200 -0.021 0.000 2.112 171 E HA -0.182 4.169 4.350 0.000 0.000 0.190 171 E C 1.913 178.546 176.600 0.055 0.000 0.979 171 E CA 1.058 57.460 56.400 0.004 0.000 0.814 171 E CB -1.002 28.689 29.700 -0.014 0.000 0.762 171 E HN 0.341 nan 8.360 nan 0.000 0.460 172 Q N 0.224 120.052 119.800 0.047 0.000 2.124 172 Q HA 0.001 4.341 4.340 0.000 0.000 0.202 172 Q C 2.377 178.442 176.000 0.109 0.000 0.977 172 Q CA 1.624 57.460 55.803 0.055 0.000 0.850 172 Q CB -0.170 28.580 28.738 0.020 0.000 0.901 172 Q HN 0.312 nan 8.270 nan 0.000 0.429 173 M N 0.130 119.824 119.600 0.157 0.000 2.202 173 M HA -0.222 4.259 4.480 0.000 0.000 0.262 173 M C 2.072 178.633 176.300 0.436 0.000 1.063 173 M CA 1.263 56.729 55.300 0.277 0.000 1.097 173 M CB -0.181 32.642 32.600 0.372 0.000 1.382 173 M HN 0.227 nan 8.290 nan 0.000 0.413 174 Q N -0.202 119.877 119.800 0.465 0.000 2.050 174 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 174 Q C 2.265 178.491 176.000 0.377 0.000 0.980 174 Q CA 1.614 57.742 55.803 0.542 0.000 0.840 174 Q CB -0.530 28.390 28.738 0.302 0.000 0.898 174 Q HN 0.424 nan 8.270 nan 0.000 0.424 175 V N 1.643 121.690 119.914 0.221 0.000 2.295 175 V HA -0.270 3.851 4.120 0.000 0.000 0.246 175 V C 2.469 178.634 176.094 0.118 0.000 1.049 175 V CA 1.584 63.973 62.300 0.147 0.000 1.024 175 V CB -0.757 31.116 31.823 0.083 0.000 0.648 175 V HN 0.274 nan 8.190 nan 0.000 0.447 176 L N -0.698 120.585 121.223 0.099 0.000 2.012 176 L HA -0.193 4.147 4.340 0.000 0.000 0.210 176 L C 2.452 179.326 176.870 0.008 0.000 1.073 176 L CA 1.421 56.286 54.840 0.042 0.000 0.748 176 L CB -0.689 41.390 42.059 0.034 0.000 0.891 176 L HN 0.278 nan 8.230 nan 0.000 0.431 177 L N -0.369 120.863 121.223 0.016 0.000 2.201 177 L HA -0.203 4.137 4.340 0.000 0.000 0.212 177 L C 2.046 178.791 176.870 -0.209 0.000 1.105 177 L CA 1.440 56.176 54.840 -0.174 0.000 0.775 177 L CB -0.696 41.182 42.059 -0.301 0.000 0.913 177 L HN 0.343 nan 8.230 nan 0.000 0.440 178 D N -0.538 119.905 120.400 0.072 0.000 2.149 178 D HA -0.156 4.484 4.640 0.000 0.000 0.201 178 D C 2.303 178.621 176.300 0.029 0.000 0.972 178 D CA 1.063 55.143 54.000 0.133 0.000 0.835 178 D CB 0.319 41.272 40.800 0.255 0.000 0.966 178 D HN 0.292 nan 8.370 nan 0.000 0.476 179 Q N -0.750 119.059 119.800 0.015 0.000 2.061 179 Q HA 0.158 4.498 4.340 0.000 0.000 0.195 179 Q C 1.699 177.679 176.000 -0.032 0.000 0.967 179 Q CA 1.198 56.999 55.803 -0.004 0.000 0.829 179 Q CB 0.159 28.898 28.738 0.001 0.000 0.900 179 Q HN 0.248 nan 8.270 nan 0.000 0.450 180 A N -0.752 122.038 122.820 -0.049 0.000 2.229 180 A HA 0.419 4.739 4.320 0.000 0.000 0.211 180 A C 1.436 178.966 177.584 -0.090 0.000 1.193 180 A CA 0.769 52.775 52.037 -0.052 0.000 0.879 180 A CB 0.459 19.441 19.000 -0.031 0.000 0.911 180 A HN 0.437 nan 8.150 nan 0.000 0.492 181 G N -1.324 107.384 108.800 -0.153 0.000 2.176 181 G HA2 -0.258 3.702 3.960 0.000 0.000 0.253 181 G HA3 -0.258 3.702 3.960 0.000 0.000 0.253 181 G C 0.420 175.185 174.900 -0.225 0.000 0.979 181 G CA 0.561 45.512 45.100 -0.248 0.000 0.641 181 G HN 1.930 nan 8.290 nan 0.000 0.530 182 C N -1.563 117.654 119.300 -0.138 0.000 3.321 182 C HA 0.913 5.373 4.460 0.000 0.000 0.329 182 C C 0.148 175.123 174.990 -0.024 0.000 1.394 182 C CA -0.719 58.248 59.018 -0.084 0.000 1.291 182 C CB 1.422 29.144 27.740 -0.030 0.000 1.606 182 C HN 2.015 nan 8.230 nan 0.000 0.463 183 C N 0.282 119.593 119.300 0.018 0.000 3.307 183 C HA 0.829 5.290 4.460 0.000 0.000 0.333 183 C C -1.307 173.754 174.990 0.118 0.000 1.291 183 C CA -0.640 58.422 59.018 0.075 0.000 1.273 183 C CB 0.169 27.949 27.740 0.065 0.000 1.580 183 C HN 1.069 nan 8.230 nan 0.000 0.481 184 I N 3.017 123.701 120.570 0.191 0.000 2.439 184 I HA 0.639 4.809 4.170 0.000 0.000 0.283 184 I C 0.036 176.288 176.117 0.225 0.000 1.023 184 I CA -0.426 60.989 61.300 0.192 0.000 1.100 184 I CB 1.577 39.683 38.000 0.177 0.000 1.238 184 I HN 0.850 nan 8.210 nan 0.000 0.445 185 V N 2.307 122.313 119.914 0.154 0.000 3.126 185 V HA 1.005 5.125 4.120 0.000 0.000 0.314 185 V C 0.057 176.206 176.094 0.091 0.000 1.138 185 V CA -0.523 61.852 62.300 0.125 0.000 1.034 185 V CB 1.664 33.545 31.823 0.096 0.000 1.075 185 V HN 0.655 nan 8.190 nan 0.000 0.442 186 G N 1.031 109.868 108.800 0.061 0.000 2.509 186 G HA2 0.559 4.519 3.960 0.000 0.000 0.328 186 G HA3 0.559 4.519 3.960 0.000 0.000 0.328 186 G C -0.453 174.448 174.900 0.002 0.000 1.194 186 G CA -0.764 44.345 45.100 0.015 0.000 0.967 186 G HN 1.060 nan 8.290 nan 0.000 0.488 187 Q N -0.444 119.334 119.800 -0.036 0.000 2.395 187 Q HA 0.382 4.722 4.340 0.000 0.000 0.271 187 Q C -0.050 175.939 176.000 -0.018 0.000 1.026 187 Q CA 0.152 55.938 55.803 -0.028 0.000 0.900 187 Q CB 0.928 29.635 28.738 -0.052 0.000 1.266 187 Q HN 0.704 nan 8.270 nan 0.000 0.430 188 S N 0.188 115.882 115.700 -0.009 0.000 2.843 188 S HA 0.243 4.713 4.470 0.000 0.000 0.301 188 S C 0.458 175.052 174.600 -0.010 0.000 1.206 188 S CA -0.627 57.568 58.200 -0.008 0.000 0.875 188 S CB 0.794 63.992 63.200 -0.004 0.000 1.248 188 S HN 0.616 nan 8.310 nan 0.000 0.555 189 E N 0.369 120.563 120.200 -0.011 0.000 2.204 189 E HA -0.100 4.250 4.350 0.000 0.000 0.194 189 E C 1.282 177.872 176.600 -0.016 0.000 0.989 189 E CA 0.932 57.324 56.400 -0.014 0.000 0.824 189 E CB -0.135 29.556 29.700 -0.015 0.000 0.756 189 E HN 0.423 nan 8.360 nan 0.000 0.477 190 Q N -0.174 119.618 119.800 -0.015 0.000 2.373 190 Q HA 0.163 4.503 4.340 0.000 0.000 0.210 190 Q C 0.731 176.721 176.000 -0.015 0.000 0.913 190 Q CA 0.460 56.252 55.803 -0.019 0.000 0.911 190 Q CB 0.570 29.295 28.738 -0.022 0.000 1.040 190 Q HN 0.245 nan 8.270 nan 0.000 0.521 191 L N 1.226 122.446 121.223 -0.006 0.000 2.294 191 L HA 0.284 4.624 4.340 0.000 0.000 0.283 191 L C 0.091 176.964 176.870 0.004 0.000 1.015 191 L CA -0.819 54.023 54.840 0.003 0.000 0.831 191 L CB 1.809 43.879 42.059 0.018 0.000 1.217 191 L HN -0.218 nan 8.230 nan 0.000 0.420 192 V N 3.715 123.633 119.914 0.006 0.000 5.482 192 V HA -0.227 3.893 4.120 0.000 0.000 0.262 192 V C -1.085 175.011 176.094 0.004 0.000 0.664 192 V CA 0.544 62.850 62.300 0.009 0.000 0.609 192 V CB -1.462 30.373 31.823 0.019 0.000 0.306 192 V HN 0.781 nan 8.190 nan 0.000 0.731 193 P HA -0.204 nan 4.420 nan 0.000 0.218 193 P C 1.638 178.935 177.300 -0.006 0.000 1.148 193 P CA 2.256 65.351 63.100 -0.009 0.000 0.822 193 P CB 0.246 31.936 31.700 -0.016 0.000 0.784 194 A N 0.097 122.913 122.820 -0.007 0.000 1.969 194 A HA -0.209 4.111 4.320 0.000 0.000 0.218 194 A C 2.182 179.785 177.584 0.031 0.000 1.169 194 A CA 2.092 54.123 52.037 -0.009 0.000 0.635 194 A CB -1.566 17.423 19.000 -0.020 0.000 0.810 194 A HN 0.174 nan 8.150 nan 0.000 0.445 195 D N -0.685 119.744 120.400 0.049 0.000 2.117 195 D HA -0.018 4.622 4.640 0.000 0.000 0.198 195 D C 2.005 178.369 176.300 0.108 0.000 0.982 195 D CA 1.626 55.682 54.000 0.094 0.000 0.828 195 D CB -0.458 40.393 40.800 0.085 0.000 0.967 195 D HN 0.265 nan 8.370 nan 0.000 0.464 196 G N 1.159 109.981 108.800 0.037 0.000 2.491 196 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 196 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 196 G C 1.675 176.616 174.900 0.069 0.000 1.180 196 G CA 1.153 46.260 45.100 0.011 0.000 0.774 196 G HN 0.333 nan 8.290 nan 0.000 0.562 197 I N 0.152 120.753 120.570 0.052 0.000 2.127 197 I HA -0.119 4.051 4.170 0.000 0.000 0.241 197 I C 2.729 178.902 176.117 0.092 0.000 1.075 197 I CA 0.988 62.320 61.300 0.052 0.000 1.334 197 I CB -0.984 37.022 38.000 0.009 0.000 1.040 197 I HN 0.080 nan 8.210 nan 0.000 0.405 198 L N -0.184 121.105 121.223 0.111 0.000 2.093 198 L HA -0.200 4.140 4.340 0.000 0.000 0.208 198 L C 2.529 179.497 176.870 0.163 0.000 1.085 198 L CA 1.596 56.517 54.840 0.135 0.000 0.755 198 L CB -1.378 40.768 42.059 0.145 0.000 0.904 198 L HN 0.179 nan 8.230 nan 0.000 0.435 199 Y N 0.288 120.618 120.300 0.050 0.000 2.145 199 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 199 Y C 2.429 178.357 175.900 0.046 0.000 1.145 199 Y CA 1.647 59.776 58.100 0.050 0.000 1.148 199 Y CB -0.383 38.109 38.460 0.054 0.000 0.981 199 Y HN 0.139 nan 8.280 nan 0.000 0.507 200 A N 0.131 123.147 122.820 0.327 0.000 1.940 200 A HA -0.138 4.182 4.320 0.000 0.000 0.219 200 A C 2.386 180.043 177.584 0.121 0.000 1.176 200 A CA 2.040 54.203 52.037 0.210 0.000 0.631 200 A CB -1.430 17.654 19.000 0.140 0.000 0.814 200 A HN 0.585 nan 8.150 nan 0.000 0.446 201 A N -0.490 122.391 122.820 0.102 0.000 1.897 201 A HA -0.056 4.265 4.320 0.000 0.000 0.215 201 A C 2.206 179.818 177.584 0.047 0.000 1.181 201 A CA 1.264 53.345 52.037 0.072 0.000 0.620 201 A CB -0.406 18.639 19.000 0.076 0.000 0.821 201 A HN 0.519 nan 8.150 nan 0.000 0.443 202 R N -0.331 120.187 120.500 0.031 0.000 2.083 202 R HA -0.189 4.151 4.340 0.000 0.000 0.237 202 R C 2.001 178.273 176.300 -0.048 0.000 1.137 202 R CA 1.534 57.620 56.100 -0.023 0.000 0.951 202 R CB -0.488 29.770 30.300 -0.070 0.000 0.851 202 R HN 0.601 nan 8.270 nan 0.000 0.434 203 D N 0.260 120.625 120.400 -0.057 0.000 2.191 203 D HA -0.170 4.471 4.640 0.000 0.000 0.190 203 D C 1.403 177.713 176.300 0.017 0.000 1.007 203 D CA 1.982 55.965 54.000 -0.029 0.000 0.865 203 D CB 0.111 40.933 40.800 0.036 0.000 0.929 203 D HN 0.218 nan 8.370 nan 0.000 0.447 204 V N -2.669 117.265 119.914 0.034 0.000 3.427 204 V HA 0.364 4.484 4.120 0.000 0.000 0.305 204 V C 1.126 177.241 176.094 0.035 0.000 1.412 204 V CA 0.787 63.117 62.300 0.050 0.000 1.086 204 V CB -0.012 31.849 31.823 0.062 0.000 0.964 204 V HN 0.289 nan 8.190 nan 0.000 0.439 205 T N -3.151 111.415 114.554 0.020 0.000 3.145 205 T HA 0.632 4.982 4.350 0.000 0.000 0.281 205 T C 1.014 175.716 174.700 0.003 0.000 1.003 205 T CA 0.519 62.629 62.100 0.016 0.000 0.901 205 T CB 0.479 69.360 68.868 0.022 0.000 1.112 205 T HN 1.758 nan 8.240 nan 0.000 0.535 206 A N 1.177 123.993 122.820 -0.007 0.000 2.846 206 A HA -0.136 4.185 4.320 0.000 0.000 0.287 206 A C 1.111 178.680 177.584 -0.025 0.000 1.469 206 A CA 1.147 53.173 52.037 -0.018 0.000 0.757 206 A CB -2.661 16.333 19.000 -0.010 0.000 1.033 206 A HN 1.338 nan 8.150 nan 0.000 0.516 207 T N -4.223 110.312 114.554 -0.031 0.000 3.288 207 T HA 0.435 4.785 4.350 0.000 0.000 0.293 207 T C 1.154 175.821 174.700 -0.055 0.000 1.008 207 T CA 0.569 62.650 62.100 -0.032 0.000 0.929 207 T CB 0.194 69.055 68.868 -0.012 0.000 1.152 207 T HN 0.583 nan 8.240 nan 0.000 0.517 208 V N 2.721 122.584 119.914 -0.085 0.000 2.358 208 V HA -0.049 4.071 4.120 0.000 0.000 0.246 208 V C 1.719 177.741 176.094 -0.121 0.000 1.047 208 V CA 1.873 64.096 62.300 -0.128 0.000 1.035 208 V CB -0.443 31.278 31.823 -0.170 0.000 0.658 208 V HN 0.747 nan 8.190 nan 0.000 0.452 209 D N 0.391 120.724 120.400 -0.113 0.000 2.994 209 D HA 0.067 4.707 4.640 0.000 0.000 0.240 209 D C 0.140 176.401 176.300 -0.066 0.000 1.195 209 D CA 0.235 54.158 54.000 -0.129 0.000 0.957 209 D CB 0.525 41.241 40.800 -0.140 0.000 1.105 209 D HN 0.297 nan 8.370 nan 0.000 0.477 210 S N 1.357 117.033 115.700 -0.040 0.000 2.596 210 S HA 0.168 4.638 4.470 0.000 0.000 0.318 210 S C 0.953 175.571 174.600 0.031 0.000 1.097 210 S CA -0.822 57.377 58.200 -0.002 0.000 1.080 210 S CB 0.992 64.188 63.200 -0.006 0.000 0.991 210 S HN 0.186 nan 8.310 nan 0.000 0.471 211 L N 6.555 127.816 121.223 0.064 0.000 1.978 211 L HA 0.025 4.366 4.340 0.000 0.000 0.218 211 L C -0.711 176.201 176.870 0.070 0.000 1.075 211 L CA 2.496 57.395 54.840 0.098 0.000 0.767 211 L CB -1.980 40.136 42.059 0.095 0.000 0.890 211 L HN 0.570 nan 8.230 nan 0.000 0.434 212 P HA -0.163 nan 4.420 nan 0.000 0.217 212 P C 2.302 179.627 177.300 0.042 0.000 1.150 212 P CA 1.370 64.493 63.100 0.039 0.000 0.832 212 P CB -0.015 31.700 31.700 0.025 0.000 0.787 213 L N -1.026 120.219 121.223 0.036 0.000 2.046 213 L HA -0.132 4.209 4.340 0.000 0.000 0.208 213 L C 2.795 179.691 176.870 0.044 0.000 1.077 213 L CA 1.304 56.167 54.840 0.038 0.000 0.747 213 L CB -0.783 41.288 42.059 0.021 0.000 0.896 213 L HN -0.141 nan 8.230 nan 0.000 0.432 214 I N -0.690 119.906 120.570 0.044 0.000 2.202 214 I HA -0.262 3.908 4.170 0.000 0.000 0.242 214 I C 2.524 178.684 176.117 0.072 0.000 1.091 214 I CA 1.467 62.803 61.300 0.060 0.000 1.368 214 I CB -0.540 37.512 38.000 0.087 0.000 1.058 214 I HN 0.240 nan 8.210 nan 0.000 0.410 215 T N 0.904 115.501 114.554 0.072 0.000 2.652 215 T HA -0.225 4.125 4.350 0.000 0.000 0.267 215 T C 2.071 176.798 174.700 0.045 0.000 1.039 215 T CA 1.684 63.820 62.100 0.060 0.000 1.153 215 T CB -0.448 68.454 68.868 0.056 0.000 0.863 215 T HN 0.484 nan 8.240 nan 0.000 0.428 216 A N 0.894 123.744 122.820 0.049 0.000 1.902 216 A HA -0.089 4.231 4.320 0.000 0.000 0.217 216 A C 2.588 180.204 177.584 0.052 0.000 1.181 216 A CA 2.124 54.191 52.037 0.050 0.000 0.623 216 A CB -1.096 17.939 19.000 0.060 0.000 0.818 216 A HN 0.441 nan 8.150 nan 0.000 0.443 217 S N -0.466 115.273 115.700 0.066 0.000 2.356 217 S HA -0.123 4.347 4.470 0.000 0.000 0.223 217 S C 1.927 176.548 174.600 0.035 0.000 1.032 217 S CA 1.518 59.773 58.200 0.090 0.000 1.005 217 S CB -0.479 62.804 63.200 0.137 0.000 0.867 217 S HN 0.483 nan 8.310 nan 0.000 0.449 218 I N 0.767 121.327 120.570 -0.017 0.000 2.163 218 I HA -0.134 4.036 4.170 0.000 0.000 0.240 218 I C 2.134 178.162 176.117 -0.148 0.000 1.081 218 I CA 0.810 61.999 61.300 -0.184 0.000 1.353 218 I CB -0.337 37.585 38.000 -0.130 0.000 1.054 218 I HN 0.297 nan 8.210 nan 0.000 0.407 219 L N 0.827 122.022 121.223 -0.047 0.000 2.093 219 L HA -0.171 4.170 4.340 0.000 0.000 0.208 219 L C 2.894 179.765 176.870 0.001 0.000 1.085 219 L CA 2.052 56.884 54.840 -0.014 0.000 0.755 219 L CB -1.155 40.911 42.059 0.013 0.000 0.904 219 L HN 0.352 nan 8.230 nan 0.000 0.435 220 S N -0.970 114.736 115.700 0.009 0.000 2.359 220 S HA -0.253 4.217 4.470 0.000 0.000 0.224 220 S C 2.002 176.616 174.600 0.022 0.000 1.035 220 S CA 1.132 59.345 58.200 0.022 0.000 1.018 220 S CB -0.467 62.753 63.200 0.033 0.000 0.876 220 S HN 0.402 nan 8.310 nan 0.000 0.448 221 K N 1.042 121.447 120.400 0.009 0.000 2.057 221 K HA -0.009 4.312 4.320 0.000 0.000 0.207 221 K C 2.246 178.874 176.600 0.046 0.000 1.049 221 K CA 1.267 57.569 56.287 0.024 0.000 0.931 221 K CB -0.102 32.404 32.500 0.011 0.000 0.714 221 K HN 0.290 nan 8.250 nan 0.000 0.440 222 K N 0.445 120.858 120.400 0.022 0.000 2.228 222 K HA -0.029 4.291 4.320 0.000 0.000 0.202 222 K C 1.975 178.619 176.600 0.073 0.000 1.051 222 K CA 0.525 56.846 56.287 0.057 0.000 0.960 222 K CB -0.111 32.410 32.500 0.036 0.000 0.743 222 K HN 0.045 nan 8.250 nan 0.000 0.458 223 L N 1.103 122.359 121.223 0.055 0.000 2.093 223 L HA -0.110 4.230 4.340 0.000 0.000 0.208 223 L C 2.319 179.230 176.870 0.068 0.000 1.085 223 L CA 1.292 56.166 54.840 0.057 0.000 0.755 223 L CB -1.026 41.056 42.059 0.040 0.000 0.904 223 L HN 0.006 nan 8.230 nan 0.000 0.435 224 V N -3.706 116.248 119.914 0.066 0.000 2.970 224 V HA -0.102 4.018 4.120 0.000 0.000 0.260 224 V C 1.866 178.027 176.094 0.111 0.000 1.100 224 V CA 1.024 63.361 62.300 0.061 0.000 1.122 224 V CB -0.720 31.126 31.823 0.039 0.000 0.721 224 V HN 0.469 nan 8.190 nan 0.000 0.483 225 E N 1.517 121.822 120.200 0.175 0.000 2.358 225 E HA 0.220 4.570 4.350 0.000 0.000 0.195 225 E C 1.513 178.380 176.600 0.446 0.000 1.010 225 E CA 0.442 57.034 56.400 0.320 0.000 0.856 225 E CB -0.234 29.621 29.700 0.259 0.000 0.795 225 E HN 0.857 nan 8.360 nan 0.000 0.504 226 G N 1.977 110.943 108.800 0.276 0.000 2.333 226 G HA2 -0.277 3.683 3.960 0.000 0.000 0.296 226 G HA3 -0.277 3.683 3.960 0.000 0.000 0.296 226 G C -0.104 174.950 174.900 0.256 0.000 1.059 226 G CA -0.013 45.251 45.100 0.273 0.000 1.050 226 G HN 0.099 nan 8.290 nan 0.000 0.508 227 L N 0.017 121.341 121.223 0.169 0.000 2.399 227 L HA 0.514 4.854 4.340 0.000 0.000 0.266 227 L C 1.881 178.805 176.870 0.090 0.000 1.114 227 L CA -0.165 54.745 54.840 0.117 0.000 0.804 227 L CB 1.483 43.598 42.059 0.093 0.000 1.146 227 L HN 0.386 nan 8.230 nan 0.000 0.451 228 S N 0.291 116.033 115.700 0.071 0.000 2.478 228 S HA 0.320 4.791 4.470 0.000 0.000 0.222 228 S C 0.519 175.136 174.600 0.027 0.000 1.008 228 S CA 0.222 58.450 58.200 0.048 0.000 0.928 228 S CB 0.232 63.459 63.200 0.045 0.000 0.781 228 S HN 0.709 nan 8.310 nan 0.000 0.518 229 A N 0.427 123.270 122.820 0.038 0.000 2.547 229 A HA 0.733 5.053 4.320 0.000 0.000 0.297 229 A C -1.680 175.935 177.584 0.051 0.000 1.056 229 A CA -0.707 51.349 52.037 0.032 0.000 0.688 229 A CB 1.454 20.465 19.000 0.019 0.000 1.282 229 A HN 0.538 nan 8.150 nan 0.000 0.400 230 L N 1.954 123.211 121.223 0.057 0.000 2.408 230 L HA 0.823 5.163 4.340 0.000 0.000 0.268 230 L C -1.457 175.462 176.870 0.082 0.000 0.986 230 L CA -0.459 54.424 54.840 0.073 0.000 0.820 230 L CB 2.164 44.267 42.059 0.073 0.000 1.303 230 L HN 0.520 nan 8.230 nan 0.000 0.411 231 V N 5.231 125.201 119.914 0.092 0.000 2.417 231 V HA 0.563 4.683 4.120 0.000 0.000 0.291 231 V C -0.660 175.501 176.094 0.113 0.000 1.024 231 V CA -0.680 61.679 62.300 0.098 0.000 0.861 231 V CB 1.888 33.767 31.823 0.093 0.000 0.985 231 V HN 0.596 nan 8.190 nan 0.000 0.436 232 V N 4.554 124.535 119.914 0.112 0.000 2.384 232 V HA 0.501 4.622 4.120 0.000 0.000 0.287 232 V C -0.678 175.488 176.094 0.121 0.000 1.020 232 V CA -0.439 61.943 62.300 0.136 0.000 0.850 232 V CB 1.850 33.755 31.823 0.136 0.000 0.987 232 V HN 0.987 nan 8.190 nan 0.000 0.436 233 D N 5.953 126.428 120.400 0.126 0.000 2.339 233 D HA 0.277 4.917 4.640 0.000 0.000 0.241 233 D C -0.563 175.826 176.300 0.148 0.000 1.183 233 D CA 0.055 54.123 54.000 0.113 0.000 0.859 233 D CB 1.424 42.274 40.800 0.084 0.000 1.067 233 D HN 0.323 nan 8.370 nan 0.000 0.484 234 V N 5.955 125.963 119.914 0.157 0.000 2.311 234 V HA 0.233 4.354 4.120 0.000 0.000 0.275 234 V C 0.509 176.753 176.094 0.250 0.000 1.022 234 V CA -0.814 61.605 62.300 0.199 0.000 0.830 234 V CB 0.721 32.599 31.823 0.091 0.000 1.012 234 V HN 0.525 nan 8.190 nan 0.000 0.452 235 K N 5.400 125.971 120.400 0.284 0.000 2.118 235 K HA 0.736 5.056 4.320 0.000 0.000 0.254 235 K C -0.906 175.920 176.600 0.377 0.000 0.961 235 K CA -0.460 55.963 56.287 0.228 0.000 0.876 235 K CB 2.110 34.661 32.500 0.085 0.000 1.077 235 K HN 0.462 nan 8.250 nan 0.000 0.440 236 F N -1.459 118.599 119.950 0.181 0.000 2.654 236 F HA 0.795 5.322 4.527 0.000 0.000 0.334 236 F C -0.008 175.861 175.800 0.114 0.000 1.078 236 F CA -0.521 57.588 58.000 0.181 0.000 0.986 236 F CB 1.212 40.275 39.000 0.106 0.000 1.362 236 F HN 0.877 nan 8.300 nan 0.000 0.498 237 G N 0.309 109.274 108.800 0.275 0.000 2.785 237 G HA2 0.433 4.393 3.960 0.000 0.000 0.686 237 G HA3 0.433 4.393 3.960 0.000 0.000 0.686 237 G C -0.437 174.522 174.900 0.098 0.000 1.155 237 G CA -0.678 44.496 45.100 0.124 0.000 0.760 237 G HN 1.724 nan 8.290 nan 0.000 0.624 238 A N 0.735 123.603 122.820 0.079 0.000 2.577 238 A HA 0.671 4.991 4.320 0.000 0.000 0.233 238 A C 2.290 179.912 177.584 0.064 0.000 1.076 238 A CA 2.744 54.820 52.037 0.065 0.000 0.767 238 A CB -0.124 18.896 19.000 0.033 0.000 1.017 238 A HN 3.075 nan 8.150 nan 0.000 0.511 239 G N -0.336 108.511 108.800 0.078 0.000 2.812 239 G HA2 0.113 4.073 3.960 0.000 0.000 0.219 239 G HA3 0.113 4.073 3.960 0.000 0.000 0.219 239 G C 0.887 175.934 174.900 0.245 0.000 1.275 239 G CA 0.816 46.005 45.100 0.148 0.000 0.769 239 G HN 2.373 nan 8.290 nan 0.000 0.527 240 A N 0.226 123.128 122.820 0.136 0.000 2.346 240 A HA 0.643 4.963 4.320 0.000 0.000 0.252 240 A C 1.826 179.404 177.584 -0.011 0.000 1.089 240 A CA 0.773 52.865 52.037 0.092 0.000 0.797 240 A CB 0.657 19.757 19.000 0.167 0.000 1.047 240 A HN 1.239 nan 8.150 nan 0.000 0.494 241 V N -0.777 119.007 119.914 -0.217 0.000 2.688 241 V HA -0.138 3.982 4.120 0.000 0.000 0.256 241 V C 0.030 175.667 176.094 -0.760 0.000 1.084 241 V CA 1.473 63.423 62.300 -0.582 0.000 1.103 241 V CB -1.552 29.728 31.823 -0.906 0.000 0.688 241 V HN 0.587 nan 8.190 nan 0.000 0.480 242 F N -1.329 118.677 119.950 0.093 0.000 2.676 242 F HA 0.484 5.011 4.527 0.001 0.000 0.371 242 F C -2.062 173.819 175.800 0.135 0.000 1.141 242 F CA -2.882 55.176 58.000 0.097 0.000 1.133 242 F CB 0.592 39.650 39.000 0.095 0.000 1.376 242 F HN -0.101 nan 8.300 nan 0.000 0.491 243 P HA -0.176 nan 4.420 nan 0.000 0.229 243 P C -0.272 177.160 177.300 0.221 0.000 1.147 243 P CA 1.276 64.495 63.100 0.198 0.000 0.766 243 P CB 0.033 31.802 31.700 0.116 0.000 0.775 244 N N -1.545 117.291 118.700 0.228 0.000 2.249 244 N HA 0.104 4.844 4.740 0.000 0.000 0.296 244 N C 0.698 176.137 175.510 -0.119 0.000 1.051 244 N CA -0.654 52.447 53.050 0.086 0.000 0.815 244 N CB 1.009 39.519 38.487 0.037 0.000 1.487 244 N HN -0.299 nan 8.380 nan 0.000 0.475 245 Q N 1.085 120.592 119.800 -0.489 0.000 2.084 245 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 245 Q C 0.711 176.357 176.000 -0.591 0.000 0.978 245 Q CA 1.684 56.795 55.803 -1.152 0.000 0.844 245 Q CB 0.166 28.156 28.738 -1.246 0.000 0.898 245 Q HN 0.725 nan 8.270 nan 0.000 0.426 246 E N 0.206 120.205 120.200 -0.335 0.000 2.107 246 E HA -0.151 4.199 4.350 0.000 0.000 0.191 246 E C 1.892 178.384 176.600 -0.180 0.000 0.982 246 E CA 1.204 57.475 56.400 -0.216 0.000 0.809 246 E CB 0.044 29.661 29.700 -0.139 0.000 0.756 246 E HN 0.350 nan 8.360 nan 0.000 0.459 247 Q N -0.228 119.488 119.800 -0.141 0.000 1.975 247 Q HA -0.187 4.153 4.340 0.000 0.000 0.205 247 Q C 2.231 178.062 176.000 -0.281 0.000 0.990 247 Q CA 1.651 57.407 55.803 -0.078 0.000 0.845 247 Q CB -0.389 28.401 28.738 0.088 0.000 0.913 247 Q HN 0.394 nan 8.270 nan 0.000 0.420 248 A N 1.381 123.883 122.820 -0.530 0.000 1.958 248 A HA -0.287 4.033 4.320 0.000 0.000 0.221 248 A C 2.036 179.303 177.584 -0.529 0.000 1.178 248 A CA 1.956 53.388 52.037 -1.009 0.000 0.642 248 A CB -0.709 17.956 19.000 -0.558 0.000 0.816 248 A HN 0.340 nan 8.150 nan 0.000 0.453 249 R N -0.311 119.985 120.500 -0.339 0.000 2.091 249 R HA -0.193 4.147 4.340 0.000 0.000 0.238 249 R C 2.213 178.419 176.300 -0.156 0.000 1.136 249 R CA 1.841 57.819 56.100 -0.205 0.000 0.959 249 R CB -0.345 29.852 30.300 -0.171 0.000 0.856 249 R HN 0.714 nan 8.270 nan 0.000 0.437 250 E N 0.180 120.288 120.200 -0.154 0.000 2.077 250 E HA -0.221 4.129 4.350 0.000 0.000 0.193 250 E C 1.966 178.518 176.600 -0.080 0.000 0.989 250 E CA 1.260 57.606 56.400 -0.090 0.000 0.800 250 E CB -0.054 29.613 29.700 -0.056 0.000 0.746 250 E HN 0.312 nan 8.360 nan 0.000 0.452 251 L N 0.745 121.881 121.223 -0.145 0.000 2.056 251 L HA -0.069 4.272 4.340 0.000 0.000 0.207 251 L C 2.241 179.078 176.870 -0.056 0.000 1.078 251 L CA 2.122 56.914 54.840 -0.081 0.000 0.749 251 L CB -0.663 41.316 42.059 -0.134 0.000 0.901 251 L HN 0.122 nan 8.230 nan 0.000 0.433 252 A N -0.405 122.353 122.820 -0.103 0.000 1.902 252 A HA -0.230 4.090 4.320 0.000 0.000 0.217 252 A C 2.309 179.887 177.584 -0.010 0.000 1.181 252 A CA 2.021 54.036 52.037 -0.037 0.000 0.623 252 A CB -0.519 18.457 19.000 -0.040 0.000 0.818 252 A HN 0.533 nan 8.150 nan 0.000 0.443 253 K N -0.893 119.494 120.400 -0.023 0.000 2.148 253 K HA -0.068 4.252 4.320 0.000 0.000 0.204 253 K C 2.018 178.621 176.600 0.004 0.000 1.050 253 K CA 1.600 57.883 56.287 -0.007 0.000 0.942 253 K CB -0.344 32.147 32.500 -0.015 0.000 0.724 253 K HN 0.478 nan 8.250 nan 0.000 0.446 254 T N 2.060 116.616 114.554 0.004 0.000 2.777 254 T HA -0.062 4.289 4.350 0.000 0.000 0.266 254 T C 1.906 176.621 174.700 0.026 0.000 1.040 254 T CA 0.894 63.004 62.100 0.017 0.000 1.141 254 T CB -0.156 68.726 68.868 0.023 0.000 0.868 254 T HN 0.088 nan 8.240 nan 0.000 0.444 255 L N 0.691 121.933 121.223 0.031 0.000 2.046 255 L HA -0.090 4.250 4.340 0.000 0.000 0.208 255 L C 2.629 179.521 176.870 0.036 0.000 1.077 255 L CA 0.958 55.822 54.840 0.039 0.000 0.747 255 L CB -0.563 41.527 42.059 0.051 0.000 0.896 255 L HN 0.150 nan 8.230 nan 0.000 0.432 256 V N -0.361 119.572 119.914 0.033 0.000 2.453 256 V HA -0.123 3.998 4.120 0.000 0.000 0.247 256 V C 2.512 178.623 176.094 0.028 0.000 1.048 256 V CA 1.819 64.140 62.300 0.034 0.000 1.049 256 V CB -0.923 30.921 31.823 0.035 0.000 0.672 256 V HN 0.543 nan 8.190 nan 0.000 0.457 257 G N -0.274 108.540 108.800 0.023 0.000 2.394 257 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 257 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 257 G C 1.663 176.576 174.900 0.021 0.000 1.176 257 G CA 1.141 46.253 45.100 0.020 0.000 0.786 257 G HN 0.349 nan 8.290 nan 0.000 0.533 258 V N 1.663 121.591 119.914 0.023 0.000 2.358 258 V HA -0.035 4.085 4.120 0.000 0.000 0.246 258 V C 3.161 179.269 176.094 0.025 0.000 1.047 258 V CA 1.872 64.187 62.300 0.024 0.000 1.035 258 V CB -1.053 30.785 31.823 0.026 0.000 0.658 258 V HN 0.426 nan 8.190 nan 0.000 0.452 259 G N 0.056 108.873 108.800 0.027 0.000 2.529 259 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 259 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 259 G C 1.790 176.706 174.900 0.026 0.000 1.177 259 G CA 1.367 46.484 45.100 0.029 0.000 0.773 259 G HN 0.619 nan 8.290 nan 0.000 0.573 260 A N 1.031 123.865 122.820 0.024 0.000 1.908 260 A HA -0.054 4.266 4.320 0.000 0.000 0.218 260 A C 2.749 180.344 177.584 0.018 0.000 1.181 260 A CA 2.821 54.870 52.037 0.020 0.000 0.627 260 A CB -0.858 18.153 19.000 0.019 0.000 0.818 260 A HN 0.939 nan 8.150 nan 0.000 0.445 261 S N -0.557 115.154 115.700 0.018 0.000 2.474 261 S HA 0.028 4.498 4.470 0.000 0.000 0.235 261 S C 1.388 175.998 174.600 0.017 0.000 0.997 261 S CA 1.268 59.478 58.200 0.016 0.000 0.949 261 S CB -0.431 62.779 63.200 0.016 0.000 0.766 261 S HN 0.429 nan 8.310 nan 0.000 0.517 262 L N 0.681 121.916 121.223 0.020 0.000 2.667 262 L HA 0.396 4.737 4.340 0.000 0.000 0.232 262 L C 1.596 178.480 176.870 0.023 0.000 1.138 262 L CA 0.271 55.123 54.840 0.021 0.000 0.921 262 L CB -0.072 42.002 42.059 0.024 0.000 1.180 262 L HN 0.577 nan 8.230 nan 0.000 0.487 263 G N 0.876 109.688 108.800 0.021 0.000 2.131 263 G HA2 -0.251 3.709 3.960 0.000 0.000 0.223 263 G HA3 -0.251 3.709 3.960 0.000 0.000 0.223 263 G C -0.464 174.451 174.900 0.025 0.000 0.990 263 G CA -0.063 45.050 45.100 0.021 0.000 0.671 263 G HN 0.152 nan 8.290 nan 0.000 0.521 264 L N 0.381 121.620 121.223 0.027 0.000 2.329 264 L HA 0.808 5.148 4.340 0.000 0.000 0.279 264 L C 0.532 177.417 176.870 0.026 0.000 1.014 264 L CA -1.526 53.333 54.840 0.031 0.000 0.814 264 L CB 1.414 43.496 42.059 0.039 0.000 1.257 264 L HN 0.207 nan 8.230 nan 0.000 0.424 265 R N 4.122 124.635 120.500 0.021 0.000 2.272 265 R HA 0.555 4.895 4.340 0.000 0.000 0.334 265 R C -1.594 174.722 176.300 0.026 0.000 1.117 265 R CA -0.206 55.901 56.100 0.011 0.000 0.966 265 R CB 0.092 30.386 30.300 -0.011 0.000 1.049 265 R HN 0.580 nan 8.270 nan 0.000 0.477 266 V N 3.308 123.242 119.914 0.034 0.000 2.604 266 V HA 0.742 4.862 4.120 0.000 0.000 0.305 266 V C -0.243 175.888 176.094 0.061 0.000 1.043 266 V CA -0.940 61.390 62.300 0.050 0.000 0.888 266 V CB 1.677 33.530 31.823 0.049 0.000 0.995 266 V HN 0.861 nan 8.190 nan 0.000 0.429 267 A N 3.011 125.879 122.820 0.079 0.000 2.374 267 A HA 0.990 5.310 4.320 0.000 0.000 0.317 267 A C -0.234 177.401 177.584 0.086 0.000 1.094 267 A CA -0.361 51.732 52.037 0.094 0.000 0.765 267 A CB 1.730 20.813 19.000 0.138 0.000 1.268 267 A HN 1.412 nan 8.150 nan 0.000 0.438 268 A N 0.587 123.452 122.820 0.075 0.000 2.325 268 A HA 0.838 5.159 4.320 0.000 0.000 0.333 268 A C 0.048 177.672 177.584 0.067 0.000 1.155 268 A CA -0.007 52.073 52.037 0.072 0.000 0.814 268 A CB 1.116 20.151 19.000 0.058 0.000 1.206 268 A HN 2.253 nan 8.150 nan 0.000 0.482 269 A N 1.922 124.786 122.820 0.073 0.000 2.318 269 A HA 0.651 4.971 4.320 0.000 0.000 0.317 269 A C -0.667 176.983 177.584 0.110 0.000 1.159 269 A CA -0.418 51.656 52.037 0.062 0.000 0.799 269 A CB 0.366 19.390 19.000 0.039 0.000 1.194 269 A HN 0.780 nan 8.150 nan 0.000 0.479 270 L N 2.915 124.231 121.223 0.156 0.000 2.265 270 L HA 0.555 4.896 4.340 0.000 0.000 0.288 270 L C 0.496 177.632 176.870 0.443 0.000 1.058 270 L CA -0.191 54.859 54.840 0.349 0.000 0.809 270 L CB 1.431 43.750 42.059 0.434 0.000 1.179 270 L HN 0.860 nan 8.230 nan 0.000 0.429 271 T N 0.551 115.317 114.554 0.354 0.000 2.893 271 T HA 0.889 5.239 4.350 0.000 0.000 0.293 271 T C -0.650 173.866 174.700 -0.307 0.000 1.027 271 T CA -0.708 61.477 62.100 0.142 0.000 0.988 271 T CB 2.396 71.298 68.868 0.057 0.000 1.043 271 T HN 0.695 nan 8.240 nan 0.000 0.461 272 A N 2.580 125.208 122.820 -0.320 0.000 2.594 272 A HA 0.934 5.254 4.320 0.000 0.000 0.291 272 A C -1.156 176.308 177.584 -0.201 0.000 1.105 272 A CA -1.079 50.599 52.037 -0.599 0.000 0.694 272 A CB 1.886 20.237 19.000 -1.082 0.000 1.291 272 A HN 0.950 nan 8.150 nan 0.000 0.410 273 M N 0.427 119.929 119.600 -0.164 0.000 2.471 273 M HA 0.276 4.756 4.480 0.000 0.000 0.284 273 M C -1.412 174.864 176.300 -0.039 0.000 1.203 273 M CA -0.398 54.868 55.300 -0.058 0.000 0.915 273 M CB 2.657 35.235 32.600 -0.036 0.000 1.734 273 M HN 0.783 nan 8.290 nan 0.000 0.485 274 D N 0.577 120.978 120.400 0.001 0.000 2.395 274 D HA 0.197 4.837 4.640 0.000 0.000 0.226 274 D C -0.608 175.707 176.300 0.025 0.000 1.146 274 D CA -0.202 53.808 54.000 0.016 0.000 0.830 274 D CB -0.056 40.769 40.800 0.042 0.000 0.958 274 D HN 0.513 nan 8.370 nan 0.000 0.501 275 K N -2.337 118.075 120.400 0.020 0.000 2.615 275 K HA 0.508 4.828 4.320 0.000 0.000 0.291 275 K C -3.384 173.231 176.600 0.025 0.000 1.017 275 K CA -1.915 54.389 56.287 0.030 0.000 0.882 275 K CB 0.348 32.870 32.500 0.037 0.000 1.522 275 K HN -0.336 nan 8.250 nan 0.000 0.412 276 P HA -0.015 nan 4.420 nan 0.000 0.269 276 P C -0.741 176.568 177.300 0.014 0.000 1.217 276 P CA -0.480 62.635 63.100 0.026 0.000 0.783 276 P CB 0.303 32.023 31.700 0.033 0.000 0.898 277 L N 2.082 123.307 121.223 0.004 0.000 2.418 277 L HA 0.395 4.735 4.340 0.000 0.000 0.274 277 L C 1.032 177.896 176.870 -0.009 0.000 1.135 277 L CA 1.528 56.366 54.840 -0.004 0.000 0.870 277 L CB -0.907 41.145 42.059 -0.011 0.000 1.154 277 L HN 0.789 nan 8.230 nan 0.000 0.462 278 G N 5.046 113.842 108.800 -0.007 0.000 2.539 278 G HA2 -0.303 3.657 3.960 0.000 0.000 0.256 278 G HA3 -0.303 3.657 3.960 0.000 0.000 0.256 278 G C 0.630 175.530 174.900 -0.000 0.000 1.233 278 G CA 0.363 45.457 45.100 -0.010 0.000 0.936 278 G HN 0.708 nan 8.290 nan 0.000 0.571 279 R N -1.320 119.177 120.500 -0.005 0.000 2.394 279 R HA 0.307 4.647 4.340 0.000 0.000 0.220 279 R C 0.305 176.605 176.300 0.000 0.000 0.887 279 R CA 0.559 56.662 56.100 0.006 0.000 1.034 279 R CB 0.607 30.910 30.300 0.005 0.000 1.179 279 R HN 0.396 nan 8.270 nan 0.000 0.561 280 C N 2.092 121.383 119.300 -0.016 0.000 2.303 280 C HA 0.595 5.055 4.460 0.000 0.000 0.326 280 C C 0.162 175.129 174.990 -0.039 0.000 1.285 280 C CA -0.619 58.382 59.018 -0.029 0.000 1.675 280 C CB 1.499 29.211 27.740 -0.047 0.000 2.289 280 C HN 0.036 nan 8.230 nan 0.000 0.512 281 V N 3.921 123.814 119.914 -0.036 0.000 2.540 281 V HA 0.970 5.090 4.120 0.000 0.000 0.302 281 V C 0.584 176.630 176.094 -0.081 0.000 1.035 281 V CA 0.731 62.999 62.300 -0.054 0.000 0.873 281 V CB 1.104 32.916 31.823 -0.019 0.000 0.992 281 V HN 1.302 nan 8.190 nan 0.000 0.428 282 G N 3.452 112.147 108.800 -0.175 0.000 2.295 282 G HA2 0.046 4.007 3.960 0.000 0.000 0.155 282 G HA3 0.046 4.007 3.960 0.000 0.000 0.155 282 G C -0.278 174.321 174.900 -0.501 0.000 1.307 282 G CA 0.312 45.266 45.100 -0.244 0.000 1.140 282 G HN 0.664 nan 8.290 nan 0.000 0.470 283 H N -0.826 118.225 119.070 -0.032 0.000 2.258 283 H HA 0.594 5.151 4.556 0.001 0.000 0.185 283 H C 2.674 177.973 175.328 -0.048 0.000 0.986 283 H CA 1.319 57.346 56.048 -0.035 0.000 1.166 283 H CB -0.369 29.377 29.762 -0.027 0.000 1.161 283 H HN 0.702 nan 8.280 nan 0.000 0.420 284 A N 1.508 124.376 122.820 0.080 0.000 1.892 284 A HA -0.160 4.160 4.320 0.000 0.000 0.218 284 A C 2.130 179.690 177.584 -0.040 0.000 1.188 284 A CA 1.800 53.841 52.037 0.006 0.000 0.631 284 A CB -1.121 17.870 19.000 -0.015 0.000 0.822 284 A HN 0.312 nan 8.150 nan 0.000 0.447 285 L N -0.855 120.323 121.223 -0.076 0.000 2.042 285 L HA -0.243 4.097 4.340 0.000 0.000 0.210 285 L C 2.620 179.443 176.870 -0.078 0.000 1.076 285 L CA 1.880 56.657 54.840 -0.104 0.000 0.749 285 L CB -0.671 41.307 42.059 -0.135 0.000 0.893 285 L HN 0.488 nan 8.230 nan 0.000 0.432 286 E N -0.453 119.701 120.200 -0.078 0.000 2.152 286 E HA -0.145 4.205 4.350 0.000 0.000 0.192 286 E C 2.294 178.851 176.600 -0.073 0.000 0.983 286 E CA 0.931 57.283 56.400 -0.080 0.000 0.818 286 E CB 0.048 29.688 29.700 -0.101 0.000 0.758 286 E HN 0.299 nan 8.360 nan 0.000 0.467 287 V N 1.539 121.423 119.914 -0.050 0.000 2.295 287 V HA -0.272 3.848 4.120 0.000 0.000 0.246 287 V C 1.998 178.064 176.094 -0.047 0.000 1.049 287 V CA 1.917 64.197 62.300 -0.034 0.000 1.024 287 V CB -0.464 31.369 31.823 0.017 0.000 0.648 287 V HN 0.225 nan 8.190 nan 0.000 0.447 288 E N -0.092 120.083 120.200 -0.041 0.000 2.058 288 E HA -0.293 4.057 4.350 0.000 0.000 0.194 288 E C 2.292 178.858 176.600 -0.057 0.000 0.997 288 E CA 1.675 58.050 56.400 -0.042 0.000 0.801 288 E CB -0.166 29.506 29.700 -0.046 0.000 0.746 288 E HN 0.683 nan 8.360 nan 0.000 0.450 289 E N 0.213 120.373 120.200 -0.066 0.000 2.110 289 E HA -0.189 4.161 4.350 0.000 0.000 0.193 289 E C 1.970 178.514 176.600 -0.093 0.000 0.988 289 E CA 0.893 57.252 56.400 -0.069 0.000 0.804 289 E CB -0.033 29.630 29.700 -0.061 0.000 0.745 289 E HN 0.255 nan 8.360 nan 0.000 0.458 290 A N 0.870 123.614 122.820 -0.125 0.000 1.877 290 A HA -0.160 4.160 4.320 0.000 0.000 0.216 290 A C 2.162 179.610 177.584 -0.228 0.000 1.186 290 A CA 1.112 53.034 52.037 -0.191 0.000 0.620 290 A CB -0.705 18.141 19.000 -0.256 0.000 0.822 290 A HN 0.304 nan 8.150 nan 0.000 0.443 291 L N -1.072 120.032 121.223 -0.198 0.000 2.079 291 L HA -0.218 4.123 4.340 0.000 0.000 0.210 291 L C 2.486 179.300 176.870 -0.092 0.000 1.081 291 L CA 0.795 55.549 54.840 -0.143 0.000 0.752 291 L CB -0.539 41.488 42.059 -0.053 0.000 0.896 291 L HN 0.305 nan 8.230 nan 0.000 0.433 292 L N -0.627 120.550 121.223 -0.077 0.000 2.012 292 L HA -0.286 4.054 4.340 0.000 0.000 0.210 292 L C 2.716 179.549 176.870 -0.062 0.000 1.073 292 L CA 1.699 56.505 54.840 -0.056 0.000 0.748 292 L CB -1.010 41.020 42.059 -0.048 0.000 0.891 292 L HN 0.418 nan 8.230 nan 0.000 0.431 293 C N -0.633 118.618 119.300 -0.081 0.000 2.425 293 C HA -0.180 4.280 4.460 0.000 0.000 0.277 293 C C 2.785 177.726 174.990 -0.081 0.000 1.280 293 C CA 0.684 59.655 59.018 -0.079 0.000 1.744 293 C CB -0.597 27.087 27.740 -0.093 0.000 1.989 293 C HN 0.523 nan 8.230 nan 0.000 0.491 294 M N 0.257 119.793 119.600 -0.106 0.000 2.562 294 M HA -0.020 4.460 4.480 0.000 0.000 0.257 294 M C 0.942 177.210 176.300 -0.053 0.000 1.099 294 M CA 0.971 56.215 55.300 -0.093 0.000 1.099 294 M CB -0.402 32.114 32.600 -0.141 0.000 1.427 294 M HN 0.292 nan 8.290 nan 0.000 0.489 295 D N 0.441 120.813 120.400 -0.046 0.000 2.363 295 D HA 0.056 4.697 4.640 0.000 0.000 0.226 295 D C 1.493 177.778 176.300 -0.025 0.000 1.020 295 D CA 0.907 54.890 54.000 -0.028 0.000 0.892 295 D CB -0.023 40.762 40.800 -0.024 0.000 0.900 295 D HN 0.509 nan 8.370 nan 0.000 0.531 296 G N -0.407 108.374 108.800 -0.031 0.000 2.159 296 G HA2 -0.184 3.776 3.960 0.000 0.000 0.256 296 G HA3 -0.184 3.776 3.960 0.000 0.000 0.256 296 G C 0.600 175.484 174.900 -0.025 0.000 0.977 296 G CA 0.546 45.630 45.100 -0.026 0.000 0.652 296 G HN 0.650 nan 8.290 nan 0.000 0.531 297 A N -0.996 121.807 122.820 -0.029 0.000 3.934 297 A HA 1.114 5.434 4.320 0.000 0.000 0.163 297 A C 1.675 179.240 177.584 -0.031 0.000 1.103 297 A CA 1.082 53.103 52.037 -0.026 0.000 1.170 297 A CB 0.171 19.157 19.000 -0.023 0.000 1.564 297 A HN 2.390 nan 8.150 nan 0.000 0.705 298 G N -1.339 107.443 108.800 -0.030 0.000 2.828 298 G HA2 0.056 4.016 3.960 0.000 0.000 0.463 298 G HA3 0.056 4.016 3.960 0.000 0.000 0.463 298 G C -2.714 172.171 174.900 -0.026 0.000 1.394 298 G CA -0.268 44.812 45.100 -0.032 0.000 0.862 298 G HN 0.901 nan 8.290 nan 0.000 0.540 299 P HA 0.320 nan 4.420 nan 0.000 0.275 299 P C -2.007 175.281 177.300 -0.019 0.000 1.228 299 P CA -1.267 61.822 63.100 -0.019 0.000 0.786 299 P CB 0.653 32.344 31.700 -0.016 0.000 0.927 300 P HA -0.162 nan 4.420 nan 0.000 0.216 300 P C 1.147 178.440 177.300 -0.011 0.000 1.153 300 P CA 1.432 64.525 63.100 -0.012 0.000 0.848 300 P CB -0.117 31.579 31.700 -0.007 0.000 0.787 301 D N 0.069 120.465 120.400 -0.007 0.000 2.123 301 D HA -0.188 4.452 4.640 0.000 0.000 0.196 301 D C 1.920 178.211 176.300 -0.014 0.000 0.992 301 D CA 1.124 55.121 54.000 -0.006 0.000 0.833 301 D CB -1.263 39.537 40.800 0.001 0.000 0.954 301 D HN 0.085 nan 8.370 nan 0.000 0.455 302 L N 0.520 121.732 121.223 -0.020 0.000 2.017 302 L HA -0.078 4.262 4.340 0.000 0.000 0.208 302 L C 2.647 179.498 176.870 -0.033 0.000 1.073 302 L CA 1.796 56.619 54.840 -0.029 0.000 0.745 302 L CB -0.693 41.344 42.059 -0.038 0.000 0.894 302 L HN -0.023 nan 8.230 nan 0.000 0.432 303 R N -0.516 119.965 120.500 -0.032 0.000 2.081 303 R HA -0.222 4.118 4.340 0.000 0.000 0.235 303 R C 2.252 178.536 176.300 -0.027 0.000 1.131 303 R CA 1.932 58.013 56.100 -0.032 0.000 0.960 303 R CB -0.729 29.554 30.300 -0.029 0.000 0.856 303 R HN 0.645 nan 8.270 nan 0.000 0.436 304 D N 0.126 120.513 120.400 -0.022 0.000 2.123 304 D HA -0.196 4.444 4.640 0.000 0.000 0.196 304 D C 1.838 178.124 176.300 -0.024 0.000 0.992 304 D CA 1.096 55.083 54.000 -0.021 0.000 0.833 304 D CB 0.153 40.944 40.800 -0.016 0.000 0.954 304 D HN 0.237 nan 8.370 nan 0.000 0.455 305 L N 0.420 121.630 121.223 -0.022 0.000 2.131 305 L HA -0.072 4.268 4.340 0.000 0.000 0.206 305 L C 2.487 179.345 176.870 -0.020 0.000 1.087 305 L CA 0.866 55.694 54.840 -0.020 0.000 0.767 305 L CB -0.393 41.656 42.059 -0.016 0.000 0.917 305 L HN -0.106 nan 8.230 nan 0.000 0.441 306 V N -0.402 119.497 119.914 -0.026 0.000 2.261 306 V HA -0.317 3.804 4.120 0.000 0.000 0.246 306 V C 2.683 178.765 176.094 -0.021 0.000 1.047 306 V CA 2.258 64.542 62.300 -0.028 0.000 1.015 306 V CB -1.242 30.556 31.823 -0.041 0.000 0.642 306 V HN 0.723 nan 8.190 nan 0.000 0.446 307 T N -2.762 111.779 114.554 -0.022 0.000 2.777 307 T HA -0.205 4.145 4.350 0.000 0.000 0.266 307 T C 1.828 176.519 174.700 -0.014 0.000 1.040 307 T CA 1.990 64.080 62.100 -0.017 0.000 1.141 307 T CB -0.841 68.016 68.868 -0.020 0.000 0.868 307 T HN 0.451 nan 8.240 nan 0.000 0.444 308 T N 2.667 117.208 114.554 -0.021 0.000 2.652 308 T HA 0.031 4.381 4.350 0.000 0.000 0.267 308 T C 1.937 176.630 174.700 -0.011 0.000 1.039 308 T CA 1.570 63.653 62.100 -0.028 0.000 1.153 308 T CB -0.588 68.255 68.868 -0.042 0.000 0.863 308 T HN 0.285 nan 8.240 nan 0.000 0.428 309 L N 0.509 121.731 121.223 -0.002 0.000 2.109 309 L HA 0.060 4.401 4.340 0.000 0.000 0.207 309 L C 3.042 179.930 176.870 0.031 0.000 1.086 309 L CA 1.155 56.006 54.840 0.018 0.000 0.760 309 L CB -0.952 41.118 42.059 0.017 0.000 0.910 309 L HN 0.374 nan 8.230 nan 0.000 0.437 310 G N -0.170 108.641 108.800 0.018 0.000 2.418 310 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 310 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 310 G C 1.581 176.508 174.900 0.046 0.000 1.158 310 G CA 0.749 45.863 45.100 0.023 0.000 0.771 310 G HN 0.475 nan 8.290 nan 0.000 0.545 311 G N 0.922 109.748 108.800 0.043 0.000 2.403 311 G HA2 0.119 4.079 3.960 0.000 0.000 0.216 311 G HA3 0.119 4.079 3.960 0.000 0.000 0.216 311 G C 2.042 177.015 174.900 0.122 0.000 1.154 311 G CA 1.397 46.536 45.100 0.066 0.000 0.784 311 G HN 0.617 nan 8.290 nan 0.000 0.538 312 A N 0.572 123.452 122.820 0.101 0.000 1.908 312 A HA 0.022 4.343 4.320 0.000 0.000 0.218 312 A C 2.379 180.118 177.584 0.258 0.000 1.181 312 A CA 1.352 53.491 52.037 0.170 0.000 0.627 312 A CB -0.483 18.577 19.000 0.099 0.000 0.818 312 A HN 0.359 nan 8.150 nan 0.000 0.445 313 L N -0.778 120.541 121.223 0.160 0.000 2.027 313 L HA -0.135 4.205 4.340 0.000 0.000 0.206 313 L C 2.585 179.537 176.870 0.137 0.000 1.074 313 L CA 1.320 56.239 54.840 0.131 0.000 0.745 313 L CB -0.346 41.763 42.059 0.083 0.000 0.898 313 L HN 0.423 nan 8.230 nan 0.000 0.433 314 L N -1.605 119.703 121.223 0.142 0.000 2.079 314 L HA -0.283 4.058 4.340 0.000 0.000 0.210 314 L C 2.339 179.321 176.870 0.187 0.000 1.081 314 L CA 1.635 56.572 54.840 0.162 0.000 0.752 314 L CB -0.609 41.529 42.059 0.131 0.000 0.896 314 L HN 0.472 nan 8.230 nan 0.000 0.433 315 W N 0.240 121.563 121.300 0.038 0.000 2.379 315 W HA -0.207 4.453 4.660 0.000 0.000 0.307 315 W C 2.319 178.846 176.519 0.013 0.000 1.200 315 W CA 1.112 58.469 57.345 0.020 0.000 1.297 315 W CB -0.165 29.300 29.460 0.009 0.000 1.140 315 W HN -0.048 nan 8.180 nan 0.000 0.507 316 L N 1.194 122.375 121.223 -0.070 0.000 2.083 316 L HA -0.184 4.157 4.340 0.000 0.000 0.209 316 L C 2.334 179.041 176.870 -0.271 0.000 1.083 316 L CA 2.464 57.122 54.840 -0.303 0.000 0.752 316 L CB -1.210 40.860 42.059 0.019 0.000 0.899 316 L HN 0.262 nan 8.230 nan 0.000 0.433 317 S N -1.471 114.159 115.700 -0.117 0.000 2.603 317 S HA 0.111 4.582 4.470 0.000 0.000 0.220 317 S C 1.396 175.852 174.600 -0.241 0.000 0.967 317 S CA 0.443 58.587 58.200 -0.094 0.000 0.920 317 S CB 0.245 63.502 63.200 0.096 0.000 0.773 317 S HN 0.611 nan 8.310 nan 0.000 0.529 318 G N 1.138 109.769 108.800 -0.282 0.000 2.132 318 G HA2 -0.234 3.726 3.960 0.000 0.000 0.234 318 G HA3 -0.234 3.726 3.960 0.000 0.000 0.234 318 G C 0.433 175.154 174.900 -0.299 0.000 0.989 318 G CA 0.403 45.316 45.100 -0.313 0.000 0.676 318 G HN 0.617 nan 8.290 nan 0.000 0.522 319 H N -0.298 118.746 119.070 -0.044 0.000 2.563 319 H HA 0.540 5.096 4.556 0.000 0.000 0.264 319 H C 1.422 176.762 175.328 0.019 0.000 0.957 319 H CA 1.243 57.284 56.048 -0.012 0.000 1.173 319 H CB 0.788 30.542 29.762 -0.012 0.000 1.420 319 H HN 0.831 nan 8.280 nan 0.000 0.551 320 A N -0.427 122.474 122.820 0.135 0.000 2.435 320 A HA 0.549 4.869 4.320 0.000 0.000 0.304 320 A C 1.406 179.102 177.584 0.186 0.000 1.064 320 A CA -0.099 52.029 52.037 0.150 0.000 0.727 320 A CB 1.205 20.309 19.000 0.174 0.000 1.284 320 A HN 0.206 nan 8.150 nan 0.000 0.415 321 G N 0.351 109.249 108.800 0.163 0.000 2.402 321 G HA2 0.259 4.220 3.960 0.000 0.000 0.216 321 G HA3 0.259 4.220 3.960 0.000 0.000 0.216 321 G C 0.784 175.882 174.900 0.330 0.000 1.162 321 G CA 1.798 47.010 45.100 0.186 0.000 0.777 321 G HN 1.457 nan 8.290 nan 0.000 0.539 322 T N -4.337 110.364 114.554 0.244 0.000 2.887 322 T HA 0.439 4.790 4.350 0.000 0.000 0.292 322 T C 0.797 175.506 174.700 0.015 0.000 1.087 322 T CA -0.153 61.993 62.100 0.077 0.000 1.009 322 T CB 2.098 70.942 68.868 -0.040 0.000 1.203 322 T HN 0.053 nan 8.240 nan 0.000 0.518 323 Q N 0.194 119.836 119.800 -0.263 0.000 2.084 323 Q HA -0.083 4.258 4.340 0.000 0.000 0.202 323 Q C 2.290 178.254 176.000 -0.060 0.000 0.978 323 Q CA 1.805 57.527 55.803 -0.136 0.000 0.844 323 Q CB -0.701 27.869 28.738 -0.280 0.000 0.898 323 Q HN 0.868 nan 8.270 nan 0.000 0.426 324 A N 0.570 123.340 122.820 -0.083 0.000 1.933 324 A HA -0.245 4.075 4.320 0.000 0.000 0.218 324 A C 1.940 179.517 177.584 -0.012 0.000 1.175 324 A CA 1.628 53.636 52.037 -0.048 0.000 0.628 324 A CB -0.525 18.441 19.000 -0.056 0.000 0.814 324 A HN 0.544 nan 8.150 nan 0.000 0.444 325 Q N -0.839 118.966 119.800 0.008 0.000 2.084 325 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 325 Q C 2.256 178.281 176.000 0.040 0.000 0.978 325 Q CA 1.247 57.068 55.803 0.030 0.000 0.844 325 Q CB -0.463 28.306 28.738 0.051 0.000 0.898 325 Q HN 0.686 nan 8.270 nan 0.000 0.426 326 G N 0.704 109.542 108.800 0.063 0.000 2.440 326 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 326 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 326 G C 1.493 176.414 174.900 0.035 0.000 1.154 326 G CA 0.912 46.054 45.100 0.069 0.000 0.767 326 G HN 0.429 nan 8.290 nan 0.000 0.552 327 A N 1.153 123.984 122.820 0.019 0.000 1.908 327 A HA 0.228 4.548 4.320 0.000 0.000 0.218 327 A C 2.810 180.392 177.584 -0.003 0.000 1.181 327 A CA 2.334 54.371 52.037 0.001 0.000 0.627 327 A CB -0.765 18.227 19.000 -0.014 0.000 0.818 327 A HN 0.822 nan 8.150 nan 0.000 0.445 328 A N -0.265 122.554 122.820 -0.001 0.000 1.930 328 A HA -0.116 4.205 4.320 0.000 0.000 0.217 328 A C 2.165 179.748 177.584 -0.000 0.000 1.175 328 A CA 1.999 54.035 52.037 -0.002 0.000 0.627 328 A CB -0.413 18.587 19.000 -0.000 0.000 0.815 328 A HN 0.515 nan 8.150 nan 0.000 0.443 329 R N -0.163 120.341 120.500 0.006 0.000 2.073 329 R HA -0.075 4.266 4.340 0.000 0.000 0.234 329 R C 1.790 178.086 176.300 -0.006 0.000 1.134 329 R CA 2.103 58.205 56.100 0.003 0.000 0.952 329 R CB -0.921 29.387 30.300 0.013 0.000 0.850 329 R HN 0.228 nan 8.270 nan 0.000 0.433 330 V N 1.035 120.946 119.914 -0.006 0.000 2.295 330 V HA -0.191 3.930 4.120 0.000 0.000 0.246 330 V C 2.416 178.499 176.094 -0.018 0.000 1.049 330 V CA 1.901 64.193 62.300 -0.014 0.000 1.024 330 V CB -1.049 30.767 31.823 -0.012 0.000 0.648 330 V HN 0.570 nan 8.190 nan 0.000 0.447 331 A N 0.263 123.074 122.820 -0.016 0.000 1.892 331 A HA -0.247 4.073 4.320 0.000 0.000 0.218 331 A C 2.445 180.019 177.584 -0.017 0.000 1.188 331 A CA 2.527 54.553 52.037 -0.018 0.000 0.631 331 A CB -0.952 18.038 19.000 -0.015 0.000 0.822 331 A HN 0.621 nan 8.150 nan 0.000 0.447 332 A N -0.383 122.429 122.820 -0.013 0.000 1.940 332 A HA 0.116 4.437 4.320 0.000 0.000 0.219 332 A C 2.463 180.038 177.584 -0.015 0.000 1.176 332 A CA 2.202 54.231 52.037 -0.012 0.000 0.631 332 A CB -0.946 18.049 19.000 -0.009 0.000 0.814 332 A HN 1.181 nan 8.150 nan 0.000 0.446 333 A N -0.501 122.308 122.820 -0.019 0.000 2.015 333 A HA 0.087 4.407 4.320 0.000 0.000 0.219 333 A C 2.046 179.616 177.584 -0.023 0.000 1.163 333 A CA 1.241 53.265 52.037 -0.021 0.000 0.646 333 A CB -0.461 18.523 19.000 -0.026 0.000 0.806 333 A HN 0.486 nan 8.150 nan 0.000 0.448 334 L N -0.910 120.297 121.223 -0.027 0.000 2.240 334 L HA -0.068 4.273 4.340 0.000 0.000 0.211 334 L C 1.357 178.212 176.870 -0.026 0.000 1.106 334 L CA 0.931 55.752 54.840 -0.032 0.000 0.793 334 L CB -0.371 41.666 42.059 -0.037 0.000 0.927 334 L HN 0.239 nan 8.230 nan 0.000 0.446 335 D N -0.293 120.095 120.400 -0.020 0.000 2.327 335 D HA -0.081 4.560 4.640 0.000 0.000 0.205 335 D C 1.056 177.349 176.300 -0.012 0.000 0.989 335 D CA 0.784 54.774 54.000 -0.016 0.000 0.873 335 D CB 0.151 40.943 40.800 -0.014 0.000 0.955 335 D HN 0.459 nan 8.370 nan 0.000 0.515 336 D N -1.240 119.153 120.400 -0.011 0.000 2.395 336 D HA 0.198 4.838 4.640 0.000 0.000 0.213 336 D C 1.466 177.763 176.300 -0.005 0.000 1.110 336 D CA 0.303 54.299 54.000 -0.008 0.000 0.835 336 D CB 0.216 41.011 40.800 -0.007 0.000 0.965 336 D HN 0.106 nan 8.370 nan 0.000 0.505 337 G N 0.386 109.183 108.800 -0.006 0.000 2.176 337 G HA2 -0.374 3.586 3.960 0.000 0.000 0.253 337 G HA3 -0.374 3.586 3.960 0.000 0.000 0.253 337 G C 1.256 176.159 174.900 0.005 0.000 0.979 337 G CA 0.858 45.958 45.100 0.001 0.000 0.641 337 G HN 0.666 nan 8.290 nan 0.000 0.530 338 S N 0.019 115.718 115.700 -0.001 0.000 2.395 338 S HA 0.411 4.882 4.470 0.000 0.000 0.225 338 S C 2.642 177.246 174.600 0.006 0.000 1.027 338 S CA 1.506 59.706 58.200 -0.000 0.000 0.965 338 S CB -0.383 62.812 63.200 -0.010 0.000 0.812 338 S HN 1.697 nan 8.310 nan 0.000 0.482 339 A N 2.278 125.097 122.820 -0.001 0.000 1.865 339 A HA -0.000 4.320 4.320 0.000 0.000 0.217 339 A C 2.260 179.869 177.584 0.041 0.000 1.191 339 A CA 1.763 53.801 52.037 0.003 0.000 0.623 339 A CB -1.125 17.858 19.000 -0.029 0.000 0.826 339 A HN 0.534 nan 8.150 nan 0.000 0.444 340 L N 0.150 121.392 121.223 0.032 0.000 2.042 340 L HA -0.087 4.254 4.340 0.000 0.000 0.210 340 L C 2.449 179.394 176.870 0.125 0.000 1.076 340 L CA 2.409 57.298 54.840 0.082 0.000 0.749 340 L CB -1.078 41.008 42.059 0.044 0.000 0.893 340 L HN 0.337 nan 8.230 nan 0.000 0.432 341 G N -0.833 108.009 108.800 0.070 0.000 2.446 341 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 341 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 341 G C 1.644 176.579 174.900 0.060 0.000 1.168 341 G CA 0.658 45.790 45.100 0.054 0.000 0.771 341 G HN 0.293 nan 8.290 nan 0.000 0.551 342 R N -0.437 120.102 120.500 0.065 0.000 2.092 342 R HA 0.012 4.352 4.340 0.000 0.000 0.231 342 R C 2.227 178.594 176.300 0.113 0.000 1.119 342 R CA 0.704 56.839 56.100 0.059 0.000 0.970 342 R CB -1.090 29.233 30.300 0.038 0.000 0.864 342 R HN 0.477 nan 8.270 nan 0.000 0.440 343 F N 2.196 122.143 119.950 -0.005 0.000 2.113 343 F HA -0.133 4.394 4.527 0.000 0.000 0.297 343 F C 2.427 178.245 175.800 0.029 0.000 1.103 343 F CA 1.483 59.489 58.000 0.010 0.000 1.248 343 F CB -0.264 38.735 39.000 -0.002 0.000 0.999 343 F HN 0.060 nan 8.300 nan 0.000 0.475 344 E N -0.029 120.192 120.200 0.035 0.000 2.097 344 E HA -0.251 4.099 4.350 0.000 0.000 0.196 344 E C 2.378 178.931 176.600 -0.078 0.000 1.000 344 E CA 1.228 57.595 56.400 -0.055 0.000 0.804 344 E CB -0.030 29.683 29.700 0.022 0.000 0.740 344 E HN 0.281 nan 8.360 nan 0.000 0.454 345 R N 0.148 120.625 120.500 -0.038 0.000 2.081 345 R HA -0.150 4.190 4.340 0.000 0.000 0.235 345 R C 2.409 178.674 176.300 -0.059 0.000 1.131 345 R CA 1.434 57.511 56.100 -0.038 0.000 0.960 345 R CB -0.780 29.508 30.300 -0.020 0.000 0.856 345 R HN 0.401 nan 8.270 nan 0.000 0.436 346 M N 0.769 120.329 119.600 -0.067 0.000 2.108 346 M HA -0.151 4.329 4.480 0.000 0.000 0.261 346 M C 2.075 178.329 176.300 -0.077 0.000 1.066 346 M CA 1.596 56.861 55.300 -0.057 0.000 1.107 346 M CB -0.046 32.548 32.600 -0.010 0.000 1.356 346 M HN 0.068 nan 8.290 nan 0.000 0.406 347 L N -0.144 120.988 121.223 -0.151 0.000 2.017 347 L HA -0.163 4.178 4.340 0.000 0.000 0.208 347 L C 2.749 179.568 176.870 -0.085 0.000 1.073 347 L CA 1.335 56.131 54.840 -0.074 0.000 0.745 347 L CB -1.064 40.871 42.059 -0.207 0.000 0.894 347 L HN 0.386 nan 8.230 nan 0.000 0.432 348 A N -0.064 122.702 122.820 -0.089 0.000 1.930 348 A HA -0.057 4.263 4.320 0.000 0.000 0.217 348 A C 2.485 180.014 177.584 -0.091 0.000 1.175 348 A CA 1.439 53.431 52.037 -0.074 0.000 0.627 348 A CB -0.578 18.391 19.000 -0.053 0.000 0.815 348 A HN 0.386 nan 8.150 nan 0.000 0.443 349 A N -0.981 121.783 122.820 -0.095 0.000 2.015 349 A HA -0.103 4.217 4.320 0.000 0.000 0.219 349 A C 1.830 179.324 177.584 -0.150 0.000 1.163 349 A CA 1.297 53.278 52.037 -0.093 0.000 0.646 349 A CB -0.297 18.664 19.000 -0.064 0.000 0.806 349 A HN 0.618 nan 8.150 nan 0.000 0.448 350 Q N -1.643 118.004 119.800 -0.255 0.000 2.201 350 Q HA 0.334 4.675 4.340 0.000 0.000 0.217 350 Q C 0.881 176.614 176.000 -0.445 0.000 0.860 350 Q CA 0.282 55.818 55.803 -0.446 0.000 0.984 350 Q CB 0.403 28.636 28.738 -0.842 0.000 1.095 350 Q HN 0.790 nan 8.270 nan 0.000 0.477 351 G N -0.150 108.503 108.800 -0.245 0.000 2.238 351 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 351 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 351 G C 0.244 175.087 174.900 -0.095 0.000 0.996 351 G CA -0.249 44.755 45.100 -0.160 0.000 0.632 351 G HN 0.218 nan 8.290 nan 0.000 0.503 352 V N 2.009 121.874 119.914 -0.081 0.000 2.585 352 V HA 0.335 4.456 4.120 0.000 0.000 0.296 352 V C 0.889 176.967 176.094 -0.026 0.000 1.035 352 V CA 0.314 62.605 62.300 -0.015 0.000 1.084 352 V CB 1.233 33.073 31.823 0.029 0.000 0.953 352 V HN 0.486 nan 8.190 nan 0.000 0.483 353 D N 6.795 127.187 120.400 -0.014 0.000 2.531 353 D HA 0.026 4.666 4.640 0.000 0.000 0.239 353 D C -1.395 174.896 176.300 -0.014 0.000 1.144 353 D CA -0.749 53.243 54.000 -0.014 0.000 0.869 353 D CB 1.202 41.998 40.800 -0.007 0.000 1.160 353 D HN 0.280 nan 8.370 nan 0.000 0.484 354 P HA -0.136 nan 4.420 nan 0.000 0.216 354 P C 1.311 178.606 177.300 -0.009 0.000 1.154 354 P CA 1.540 64.630 63.100 -0.016 0.000 0.865 354 P CB 0.033 31.725 31.700 -0.014 0.000 0.789 355 G N -0.435 108.362 108.800 -0.006 0.000 2.408 355 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 355 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 355 G C 1.451 176.352 174.900 0.002 0.000 1.150 355 G CA 0.569 45.668 45.100 -0.001 0.000 0.776 355 G HN 0.257 nan 8.290 nan 0.000 0.542 356 L N 1.215 122.439 121.223 0.002 0.000 2.072 356 L HA 0.284 4.624 4.340 0.000 0.000 0.205 356 L C 3.013 179.888 176.870 0.007 0.000 1.079 356 L CA 2.064 56.907 54.840 0.006 0.000 0.752 356 L CB -0.700 41.364 42.059 0.008 0.000 0.906 356 L HN 0.202 nan 8.230 nan 0.000 0.436 357 A N -0.078 122.741 122.820 -0.002 0.000 1.883 357 A HA -0.283 4.037 4.320 0.000 0.000 0.217 357 A C 2.480 180.066 177.584 0.004 0.000 1.186 357 A CA 2.030 54.060 52.037 -0.011 0.000 0.624 357 A CB -0.677 18.302 19.000 -0.034 0.000 0.822 357 A HN 0.505 nan 8.150 nan 0.000 0.444 358 R N -0.122 120.381 120.500 0.005 0.000 2.075 358 R HA 0.006 4.346 4.340 0.000 0.000 0.232 358 R C 2.174 178.486 176.300 0.019 0.000 1.126 358 R CA 1.819 57.926 56.100 0.012 0.000 0.963 358 R CB -0.719 29.585 30.300 0.007 0.000 0.858 358 R HN 0.392 nan 8.270 nan 0.000 0.435 359 A N 0.244 123.074 122.820 0.015 0.000 1.972 359 A HA -0.108 4.212 4.320 0.000 0.000 0.219 359 A C 2.031 179.629 177.584 0.024 0.000 1.169 359 A CA 1.369 53.416 52.037 0.017 0.000 0.635 359 A CB -0.561 18.447 19.000 0.012 0.000 0.810 359 A HN 0.372 nan 8.150 nan 0.000 0.446 360 L N -0.766 120.476 121.223 0.031 0.000 2.044 360 L HA -0.093 4.247 4.340 0.000 0.000 0.205 360 L C 2.471 179.380 176.870 0.065 0.000 1.075 360 L CA 2.037 56.905 54.840 0.047 0.000 0.747 360 L CB -0.546 41.546 42.059 0.055 0.000 0.903 360 L HN 0.453 nan 8.230 nan 0.000 0.435 361 C N -1.040 118.305 119.300 0.076 0.000 2.466 361 C HA -0.032 4.428 4.460 0.000 0.000 0.278 361 C C 2.900 177.925 174.990 0.059 0.000 1.288 361 C CA 0.890 59.966 59.018 0.097 0.000 1.722 361 C CB -1.095 26.714 27.740 0.116 0.000 2.017 361 C HN 0.740 nan 8.230 nan 0.000 0.488 362 S N 0.367 116.091 115.700 0.040 0.000 2.558 362 S HA 0.223 4.693 4.470 0.000 0.000 0.217 362 S C 0.911 175.523 174.600 0.020 0.000 0.975 362 S CA 0.418 58.634 58.200 0.027 0.000 0.912 362 S CB -0.296 62.917 63.200 0.021 0.000 0.776 362 S HN 0.554 nan 8.310 nan 0.000 0.526 363 G N 1.853 110.667 108.800 0.023 0.000 2.572 363 G HA2 0.451 4.411 3.960 0.000 0.000 0.261 363 G HA3 0.451 4.411 3.960 0.000 0.000 0.261 363 G C 0.000 174.908 174.900 0.012 0.000 1.197 363 G CA -0.137 44.973 45.100 0.016 0.000 0.870 363 G HN 0.539 nan 8.290 nan 0.000 0.548 364 S N 1.158 116.863 115.700 0.008 0.000 2.614 364 S HA 0.296 4.767 4.470 0.000 0.000 0.265 364 S C -1.453 173.148 174.600 0.003 0.000 1.303 364 S CA -0.846 57.356 58.200 0.004 0.000 1.000 364 S CB 1.722 64.923 63.200 0.003 0.000 0.935 364 S HN 0.257 nan 8.310 nan 0.000 0.551 365 P HA -0.170 nan 4.420 nan 0.000 0.217 365 P C 1.559 178.857 177.300 -0.003 0.000 1.158 365 P CA 2.296 65.393 63.100 -0.004 0.000 0.887 365 P CB -0.285 31.411 31.700 -0.007 0.000 0.792 366 A N -0.520 122.300 122.820 -0.000 0.000 1.969 366 A HA -0.211 4.109 4.320 0.000 0.000 0.218 366 A C 2.112 179.698 177.584 0.002 0.000 1.169 366 A CA 1.577 53.614 52.037 0.001 0.000 0.635 366 A CB -1.043 17.958 19.000 0.003 0.000 0.810 366 A HN 0.212 nan 8.150 nan 0.000 0.445 367 E N -0.395 119.807 120.200 0.004 0.000 2.072 367 E HA -0.155 4.195 4.350 0.000 0.000 0.190 367 E C 2.281 178.885 176.600 0.007 0.000 0.982 367 E CA 0.951 57.354 56.400 0.006 0.000 0.803 367 E CB -0.152 29.553 29.700 0.007 0.000 0.755 367 E HN 0.543 nan 8.360 nan 0.000 0.453 368 R N 0.747 121.251 120.500 0.007 0.000 2.083 368 R HA -0.097 4.243 4.340 0.000 0.000 0.237 368 R C 2.398 178.698 176.300 0.000 0.000 1.137 368 R CA 1.311 57.416 56.100 0.009 0.000 0.951 368 R CB -0.231 30.074 30.300 0.010 0.000 0.851 368 R HN 0.063 nan 8.270 nan 0.000 0.434 369 R N 0.309 120.805 120.500 -0.007 0.000 2.117 369 R HA -0.154 4.187 4.340 0.000 0.000 0.243 369 R C 2.331 178.626 176.300 -0.008 0.000 1.143 369 R CA 1.206 57.297 56.100 -0.016 0.000 0.968 369 R CB -0.160 30.131 30.300 -0.015 0.000 0.863 369 R HN 0.318 nan 8.270 nan 0.000 0.444 370 Q N 0.352 120.152 119.800 -0.001 0.000 2.167 370 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 370 Q C 2.123 178.125 176.000 0.003 0.000 0.970 370 Q CA 1.135 56.940 55.803 0.002 0.000 0.855 370 Q CB 0.110 28.851 28.738 0.004 0.000 0.911 370 Q HN 0.399 nan 8.270 nan 0.000 0.438 371 L N -0.158 121.068 121.223 0.005 0.000 2.341 371 L HA 0.074 4.415 4.340 0.000 0.000 0.214 371 L C 0.857 177.732 176.870 0.008 0.000 1.115 371 L CA 0.205 55.050 54.840 0.008 0.000 0.820 371 L CB 0.115 42.182 42.059 0.013 0.000 0.944 371 L HN 0.020 nan 8.230 nan 0.000 0.452 372 L N 0.015 121.239 121.223 0.003 0.000 2.334 372 L HA 0.416 4.757 4.340 0.000 0.000 0.270 372 L C -2.116 174.750 176.870 -0.006 0.000 1.018 372 L CA -2.216 52.625 54.840 0.000 0.000 0.811 372 L CB 0.985 43.043 42.059 -0.002 0.000 1.271 372 L HN -0.239 nan 8.230 nan 0.000 0.443 373 P HA 0.059 nan 4.420 nan 0.000 0.264 373 P C -1.124 176.166 177.300 -0.017 0.000 1.183 373 P CA 0.229 63.325 63.100 -0.007 0.000 0.763 373 P CB 0.399 32.096 31.700 -0.006 0.000 0.807 374 R N 1.650 122.145 120.500 -0.008 0.000 2.599 374 R HA 0.628 4.968 4.340 0.000 0.000 0.295 374 R C -0.086 176.227 176.300 0.021 0.000 0.963 374 R CA -0.948 55.150 56.100 -0.005 0.000 0.883 374 R CB 2.048 32.353 30.300 0.008 0.000 1.171 374 R HN 0.489 nan 8.270 nan 0.000 0.450 375 A N 2.208 125.056 122.820 0.046 0.000 2.483 375 A HA 0.078 4.399 4.320 0.000 0.000 0.238 375 A C 0.901 178.522 177.584 0.062 0.000 1.070 375 A CA -0.166 51.912 52.037 0.068 0.000 0.770 375 A CB 0.346 19.417 19.000 0.118 0.000 1.008 375 A HN 0.911 nan 8.150 nan 0.000 0.497 376 R N 0.613 121.135 120.500 0.037 0.000 2.120 376 R HA -0.017 4.323 4.340 0.000 0.000 0.234 376 R C -0.090 176.223 176.300 0.021 0.000 1.123 376 R CA 1.067 57.182 56.100 0.025 0.000 0.975 376 R CB -0.087 30.222 30.300 0.014 0.000 0.866 376 R HN 0.737 nan 8.270 nan 0.000 0.446 377 E N 0.830 121.041 120.200 0.019 0.000 2.336 377 E HA 0.322 4.672 4.350 0.000 0.000 0.267 377 E C -0.961 175.615 176.600 -0.039 0.000 0.906 377 E CA -0.617 55.778 56.400 -0.008 0.000 0.781 377 E CB 2.240 31.931 29.700 -0.016 0.000 1.261 377 E HN 0.045 nan 8.360 nan 0.000 0.436 378 Q N 0.900 120.648 119.800 -0.087 0.000 2.331 378 Q HA 0.355 4.695 4.340 0.000 0.000 0.272 378 Q C -1.056 174.848 176.000 -0.159 0.000 1.062 378 Q CA -0.665 55.022 55.803 -0.193 0.000 0.806 378 Q CB 2.947 31.548 28.738 -0.228 0.000 1.312 378 Q HN 0.535 nan 8.270 nan 0.000 0.431 379 E N 1.008 121.093 120.200 -0.192 0.000 2.367 379 E HA 0.521 4.872 4.350 0.000 0.000 0.273 379 E C -1.239 175.245 176.600 -0.193 0.000 0.903 379 E CA -0.870 55.438 56.400 -0.153 0.000 0.764 379 E CB 2.229 31.862 29.700 -0.111 0.000 1.252 379 E HN 0.377 nan 8.360 nan 0.000 0.446 380 E N 1.732 121.834 120.200 -0.163 0.000 2.183 380 E HA 0.342 4.693 4.350 0.000 0.000 0.271 380 E C -1.043 175.445 176.600 -0.186 0.000 0.919 380 E CA -0.999 55.284 56.400 -0.195 0.000 0.781 380 E CB 1.784 31.396 29.700 -0.146 0.000 1.140 380 E HN 0.301 nan 8.360 nan 0.000 0.402 381 L N 3.361 124.401 121.223 -0.305 0.000 2.289 381 L HA 0.360 4.700 4.340 0.000 0.000 0.285 381 L C -0.500 176.298 176.870 -0.119 0.000 1.049 381 L CA -0.085 54.617 54.840 -0.231 0.000 0.804 381 L CB 0.661 42.516 42.059 -0.340 0.000 1.195 381 L HN 0.340 nan 8.230 nan 0.000 0.428 382 L N 2.496 123.790 121.223 0.118 0.000 2.344 382 L HA 0.720 5.060 4.340 0.000 0.000 0.272 382 L C 0.428 177.507 176.870 0.347 0.000 1.035 382 L CA -1.078 53.890 54.840 0.213 0.000 0.807 382 L CB 1.357 43.476 42.059 0.100 0.000 1.237 382 L HN 0.681 nan 8.230 nan 0.000 0.442 383 A N 3.064 126.055 122.820 0.286 0.000 2.492 383 A HA 0.278 4.598 4.320 0.000 0.000 0.254 383 A C -1.452 176.166 177.584 0.056 0.000 1.091 383 A CA -0.929 51.176 52.037 0.113 0.000 0.768 383 A CB -0.236 18.790 19.000 0.043 0.000 1.028 383 A HN 0.639 nan 8.150 nan 0.000 0.498 384 P HA 0.079 nan 4.420 nan 0.000 0.223 384 P C 0.375 177.674 177.300 -0.002 0.000 1.151 384 P CA 1.791 64.900 63.100 0.014 0.000 0.787 384 P CB 0.238 31.938 31.700 0.000 0.000 0.788 385 A N -1.044 121.765 122.820 -0.018 0.000 2.557 385 A HA 0.485 4.805 4.320 0.000 0.000 0.292 385 A C -1.383 176.187 177.584 -0.023 0.000 1.139 385 A CA -0.605 51.421 52.037 -0.018 0.000 0.665 385 A CB 0.187 19.174 19.000 -0.022 0.000 1.285 385 A HN -0.213 nan 8.150 nan 0.000 0.433 386 D N -0.162 120.227 120.400 -0.018 0.000 2.443 386 D HA 0.503 5.143 4.640 0.000 0.000 0.239 386 D C 0.436 176.719 176.300 -0.028 0.000 1.136 386 D CA 2.082 56.070 54.000 -0.019 0.000 0.879 386 D CB 1.163 41.955 40.800 -0.012 0.000 1.195 386 D HN 1.176 nan 8.370 nan 0.000 0.443 387 G N 0.103 108.884 108.800 -0.032 0.000 2.340 387 G HA2 0.310 4.270 3.960 0.000 0.000 0.298 387 G HA3 0.310 4.270 3.960 0.000 0.000 0.298 387 G C -1.125 173.750 174.900 -0.041 0.000 1.498 387 G CA -0.821 44.258 45.100 -0.035 0.000 0.847 387 G HN 0.310 nan 8.290 nan 0.000 0.594 388 T N 0.874 115.413 114.554 -0.026 0.000 2.806 388 T HA 0.436 4.786 4.350 0.000 0.000 0.290 388 T C 0.666 175.334 174.700 -0.052 0.000 0.966 388 T CA -0.296 61.780 62.100 -0.040 0.000 1.060 388 T CB 1.521 70.406 68.868 0.028 0.000 0.927 388 T HN 0.637 nan 8.240 nan 0.000 0.485 389 V N 4.924 124.771 119.914 -0.113 0.000 2.420 389 V HA 0.011 4.131 4.120 0.000 0.000 0.274 389 V C 1.516 177.587 176.094 -0.037 0.000 1.003 389 V CA 0.286 62.519 62.300 -0.112 0.000 1.092 389 V CB -0.031 31.713 31.823 -0.132 0.000 1.002 389 V HN 0.861 nan 8.190 nan 0.000 0.473 390 E N 3.212 123.436 120.200 0.039 0.000 2.170 390 E HA 0.117 4.467 4.350 0.000 0.000 0.191 390 E C 0.155 176.826 176.600 0.118 0.000 0.981 390 E CA 0.551 57.048 56.400 0.163 0.000 0.830 390 E CB 0.537 30.291 29.700 0.090 0.000 0.775 390 E HN 0.553 nan 8.360 nan 0.000 0.470 391 L N -1.183 120.051 121.223 0.019 0.000 2.700 391 L HA 0.245 4.585 4.340 0.000 0.000 0.255 391 L C -1.874 174.972 176.870 -0.041 0.000 0.933 391 L CA -0.542 54.302 54.840 0.007 0.000 0.920 391 L CB 1.959 44.024 42.059 0.009 0.000 1.472 391 L HN -0.317 nan 8.230 nan 0.000 0.426 392 V N 4.357 124.267 119.914 -0.007 0.000 2.326 392 V HA 0.532 4.652 4.120 0.000 0.000 0.281 392 V C 0.207 176.324 176.094 0.039 0.000 1.015 392 V CA -0.503 61.805 62.300 0.014 0.000 0.823 392 V CB 1.205 33.088 31.823 0.101 0.000 1.009 392 V HN 0.710 nan 8.190 nan 0.000 0.436 393 R N 3.014 123.529 120.500 0.026 0.000 2.404 393 R HA 0.287 4.627 4.340 0.000 0.000 0.315 393 R C 1.402 177.729 176.300 0.045 0.000 1.032 393 R CA 0.455 56.571 56.100 0.026 0.000 0.992 393 R CB 0.801 31.107 30.300 0.011 0.000 0.959 393 R HN 0.863 nan 8.270 nan 0.000 0.428 394 A N 4.161 127.003 122.820 0.036 0.000 1.930 394 A HA -0.156 4.164 4.320 0.000 0.000 0.217 394 A C 1.830 179.426 177.584 0.020 0.000 1.175 394 A CA 0.901 52.962 52.037 0.040 0.000 0.627 394 A CB -0.258 18.767 19.000 0.041 0.000 0.815 394 A HN 0.691 nan 8.150 nan 0.000 0.443 395 L N 0.465 121.680 121.223 -0.014 0.000 1.994 395 L HA -0.017 4.323 4.340 0.000 0.000 0.208 395 L C -0.865 175.940 176.870 -0.109 0.000 1.071 395 L CA 2.283 57.062 54.840 -0.102 0.000 0.745 395 L CB -1.146 40.837 42.059 -0.127 0.000 0.892 395 L HN 0.152 nan 8.230 nan 0.000 0.431 396 P HA -0.167 nan 4.420 nan 0.000 0.218 396 P C 2.152 179.456 177.300 0.007 0.000 1.148 396 P CA 1.403 64.491 63.100 -0.021 0.000 0.822 396 P CB -0.026 31.685 31.700 0.018 0.000 0.784 397 L N -1.025 120.216 121.223 0.030 0.000 2.044 397 L HA -0.109 4.231 4.340 0.000 0.000 0.205 397 L C 2.325 179.219 176.870 0.039 0.000 1.075 397 L CA 1.466 56.333 54.840 0.046 0.000 0.747 397 L CB -0.838 41.261 42.059 0.066 0.000 0.903 397 L HN -0.067 nan 8.230 nan 0.000 0.435 398 A N 0.054 122.895 122.820 0.034 0.000 1.892 398 A HA -0.242 4.079 4.320 0.000 0.000 0.218 398 A C 2.147 179.777 177.584 0.077 0.000 1.188 398 A CA 1.862 53.942 52.037 0.072 0.000 0.631 398 A CB -0.859 18.207 19.000 0.109 0.000 0.822 398 A HN 0.464 nan 8.150 nan 0.000 0.447 399 L N -0.804 120.407 121.223 -0.020 0.000 2.056 399 L HA -0.143 4.198 4.340 0.000 0.000 0.207 399 L C 2.539 179.445 176.870 0.061 0.000 1.078 399 L CA 1.080 55.905 54.840 -0.026 0.000 0.749 399 L CB -0.614 41.382 42.059 -0.107 0.000 0.901 399 L HN 0.252 nan 8.230 nan 0.000 0.433 400 V N 0.125 120.067 119.914 0.048 0.000 2.358 400 V HA -0.256 3.864 4.120 0.000 0.000 0.246 400 V C 2.395 178.537 176.094 0.080 0.000 1.047 400 V CA 1.503 63.836 62.300 0.056 0.000 1.035 400 V CB -0.330 31.515 31.823 0.035 0.000 0.658 400 V HN 0.336 nan 8.190 nan 0.000 0.452 401 L N -0.553 120.722 121.223 0.086 0.000 2.083 401 L HA -0.212 4.128 4.340 0.000 0.000 0.209 401 L C 2.532 179.478 176.870 0.127 0.000 1.083 401 L CA 2.049 56.943 54.840 0.091 0.000 0.752 401 L CB -0.857 41.248 42.059 0.076 0.000 0.899 401 L HN 0.483 nan 8.230 nan 0.000 0.433 402 H N 0.740 119.848 119.070 0.063 0.000 2.289 402 H HA -0.223 4.333 4.556 0.000 0.000 0.296 402 H C 2.129 177.491 175.328 0.056 0.000 1.091 402 H CA 2.250 58.343 56.048 0.074 0.000 1.274 402 H CB 0.143 29.957 29.762 0.085 0.000 1.364 402 H HN 0.325 nan 8.280 nan 0.000 0.490 403 E N 0.124 120.454 120.200 0.217 0.000 2.204 403 E HA -0.125 4.225 4.350 0.000 0.000 0.195 403 E C 1.929 178.560 176.600 0.051 0.000 0.990 403 E CA 0.987 57.465 56.400 0.129 0.000 0.821 403 E CB 0.036 29.804 29.700 0.114 0.000 0.750 403 E HN 0.557 nan 8.360 nan 0.000 0.477 404 L N -0.524 120.727 121.223 0.046 0.000 2.599 404 L HA 0.130 4.470 4.340 0.000 0.000 0.230 404 L C 1.379 178.257 176.870 0.012 0.000 1.141 404 L CA 0.488 55.345 54.840 0.028 0.000 0.877 404 L CB 0.119 42.199 42.059 0.034 0.000 1.009 404 L HN 0.336 nan 8.230 nan 0.000 0.447 405 G N -0.970 107.823 108.800 -0.012 0.000 2.205 405 G HA2 -0.199 3.761 3.960 0.000 0.000 0.180 405 G HA3 -0.199 3.761 3.960 0.000 0.000 0.180 405 G C 0.769 175.652 174.900 -0.029 0.000 1.004 405 G CA 0.049 45.127 45.100 -0.035 0.000 0.670 405 G HN 0.299 nan 8.290 nan 0.000 0.496 406 A N -0.113 122.717 122.820 0.016 0.000 2.208 406 A HA 0.685 5.005 4.320 0.000 0.000 0.209 406 A C 1.404 179.040 177.584 0.088 0.000 1.161 406 A CA 1.812 53.925 52.037 0.126 0.000 0.782 406 A CB -0.013 19.090 19.000 0.172 0.000 0.816 406 A HN 1.774 nan 8.150 nan 0.000 0.477 407 G N -1.006 107.687 108.800 -0.177 0.000 2.798 407 G HA2 0.589 4.549 3.960 0.000 0.000 0.286 407 G HA3 0.589 4.549 3.960 0.000 0.000 0.286 407 G C -0.894 173.717 174.900 -0.482 0.000 1.389 407 G CA -0.938 43.929 45.100 -0.389 0.000 0.894 407 G HN 0.230 nan 8.290 nan 0.000 0.488 408 R N -0.412 119.905 120.500 -0.304 0.000 2.589 408 R HA 0.442 4.782 4.340 0.000 0.000 0.293 408 R C 0.719 177.030 176.300 0.018 0.000 0.963 408 R CA -0.302 55.733 56.100 -0.108 0.000 0.905 408 R CB 1.861 32.161 30.300 0.000 0.000 1.144 408 R HN 0.584 nan 8.270 nan 0.000 0.459 409 S N 2.058 117.778 115.700 0.033 0.000 2.524 409 S HA 0.090 4.561 4.470 0.000 0.000 0.215 409 S C 0.453 175.092 174.600 0.065 0.000 0.986 409 S CA -0.413 57.844 58.200 0.096 0.000 0.911 409 S CB 0.124 63.372 63.200 0.080 0.000 0.805 409 S HN 0.679 nan 8.310 nan 0.000 0.501 410 R N -0.206 120.321 120.500 0.045 0.000 2.680 410 R HA 0.746 5.087 4.340 0.000 0.000 0.269 410 R C -1.147 175.176 176.300 0.038 0.000 1.026 410 R CA -0.741 55.383 56.100 0.041 0.000 0.889 410 R CB 0.826 31.144 30.300 0.031 0.000 1.241 410 R HN 0.047 nan 8.270 nan 0.000 0.463 411 A N 0.553 123.398 122.820 0.043 0.000 2.462 411 A HA 0.472 4.793 4.320 0.000 0.000 0.243 411 A C 1.392 178.996 177.584 0.033 0.000 1.076 411 A CA 0.807 52.872 52.037 0.047 0.000 0.773 411 A CB -0.416 18.615 19.000 0.053 0.000 1.010 411 A HN 1.590 nan 8.150 nan 0.000 0.493 412 G N 0.649 109.468 108.800 0.033 0.000 2.184 412 G HA2 -0.257 3.703 3.960 0.000 0.000 0.264 412 G HA3 -0.257 3.703 3.960 0.000 0.000 0.264 412 G C 0.235 175.140 174.900 0.008 0.000 0.975 412 G CA 0.575 45.687 45.100 0.020 0.000 0.642 412 G HN 1.130 nan 8.290 nan 0.000 0.536 413 E N 1.659 121.863 120.200 0.006 0.000 2.324 413 E HA 0.382 4.732 4.350 0.000 0.000 0.271 413 E C -1.996 174.590 176.600 -0.022 0.000 1.028 413 E CA -1.711 54.685 56.400 -0.007 0.000 0.890 413 E CB 0.687 30.382 29.700 -0.010 0.000 1.004 413 E HN 0.206 nan 8.360 nan 0.000 0.431 414 P HA 0.050 nan 4.420 nan 0.000 0.271 414 P C -0.767 176.496 177.300 -0.062 0.000 1.218 414 P CA 0.138 63.213 63.100 -0.041 0.000 0.780 414 P CB 0.534 32.215 31.700 -0.031 0.000 0.901 415 L N 2.691 123.858 121.223 -0.095 0.000 2.360 415 L HA 0.453 4.793 4.340 0.000 0.000 0.271 415 L C 0.958 177.766 176.870 -0.102 0.000 1.057 415 L CA -0.850 53.914 54.840 -0.127 0.000 0.803 415 L CB 0.969 42.879 42.059 -0.249 0.000 1.207 415 L HN 0.217 nan 8.230 nan 0.000 0.445 416 R N 2.455 122.913 120.500 -0.071 0.000 2.296 416 R HA 0.228 4.569 4.340 0.000 0.000 0.327 416 R C 0.581 176.867 176.300 -0.023 0.000 1.137 416 R CA -0.248 55.831 56.100 -0.036 0.000 1.020 416 R CB 0.421 30.715 30.300 -0.010 0.000 1.110 416 R HN 0.594 nan 8.270 nan 0.000 0.499 417 L N 1.170 122.366 121.223 -0.044 0.000 2.395 417 L HA 0.006 4.347 4.340 0.000 0.000 0.218 417 L C 2.131 179.027 176.870 0.043 0.000 1.130 417 L CA 0.919 55.744 54.840 -0.024 0.000 0.826 417 L CB -0.018 42.007 42.059 -0.056 0.000 0.941 417 L HN 0.777 nan 8.230 nan 0.000 0.451 418 G N -0.560 108.252 108.800 0.019 0.000 2.551 418 G HA2 0.016 3.977 3.960 0.000 0.000 0.216 418 G HA3 0.016 3.977 3.960 0.000 0.000 0.216 418 G C 0.732 175.644 174.900 0.019 0.000 1.137 418 G CA -0.125 44.977 45.100 0.004 0.000 0.798 418 G HN 0.056 nan 8.290 nan 0.000 0.536 419 V N 0.812 120.761 119.914 0.057 0.000 2.740 419 V HA 0.562 4.682 4.120 0.000 0.000 0.303 419 V C 0.939 177.082 176.094 0.081 0.000 1.054 419 V CA 1.004 63.353 62.300 0.081 0.000 1.106 419 V CB 0.665 32.529 31.823 0.070 0.000 0.957 419 V HN 0.615 nan 8.190 nan 0.000 0.486 420 G N 2.603 111.459 108.800 0.093 0.000 2.333 420 G HA2 0.671 4.631 3.960 0.000 0.000 0.288 420 G HA3 0.671 4.631 3.960 0.000 0.000 0.288 420 G C -1.363 173.611 174.900 0.122 0.000 1.286 420 G CA 0.016 45.155 45.100 0.065 0.000 0.865 420 G HN 1.299 nan 8.290 nan 0.000 0.506 421 A N -0.639 122.232 122.820 0.085 0.000 2.549 421 A HA 0.846 5.167 4.320 0.000 0.000 0.297 421 A C -1.000 176.616 177.584 0.054 0.000 1.061 421 A CA -0.479 51.602 52.037 0.073 0.000 0.690 421 A CB 1.698 20.688 19.000 -0.016 0.000 1.287 421 A HN 0.652 nan 8.150 nan 0.000 0.402 422 E N 1.759 121.987 120.200 0.047 0.000 2.165 422 E HA 0.457 4.807 4.350 0.000 0.000 0.266 422 E C -1.054 175.533 176.600 -0.023 0.000 0.889 422 E CA -0.576 55.839 56.400 0.024 0.000 0.756 422 E CB 1.949 31.689 29.700 0.068 0.000 1.131 422 E HN 0.570 nan 8.360 nan 0.000 0.411 423 L N 4.269 125.495 121.223 0.006 0.000 2.410 423 L HA 0.108 4.448 4.340 0.000 0.000 0.273 423 L C 0.845 177.738 176.870 0.038 0.000 1.144 423 L CA 0.057 54.922 54.840 0.042 0.000 0.863 423 L CB 0.320 42.432 42.059 0.087 0.000 1.140 423 L HN 0.610 nan 8.230 nan 0.000 0.463 424 L N 4.551 125.804 121.223 0.050 0.000 2.640 424 L HA 0.167 4.507 4.340 0.000 0.000 0.230 424 L C 0.229 177.138 176.870 0.065 0.000 1.123 424 L CA -0.073 54.791 54.840 0.040 0.000 0.900 424 L CB 0.301 42.368 42.059 0.014 0.000 1.146 424 L HN 0.518 nan 8.230 nan 0.000 0.484 425 V N -5.455 114.519 119.914 0.099 0.000 3.040 425 V HA 0.590 4.711 4.120 0.000 0.000 0.312 425 V C -1.032 175.086 176.094 0.040 0.000 1.115 425 V CA -0.989 61.353 62.300 0.071 0.000 0.998 425 V CB 2.539 34.421 31.823 0.097 0.000 1.042 425 V HN -0.166 nan 8.190 nan 0.000 0.433 426 D N 0.917 121.312 120.400 -0.009 0.000 2.229 426 D HA 0.496 5.136 4.640 0.000 0.000 0.249 426 D C -0.286 175.964 176.300 -0.085 0.000 1.027 426 D CA -0.198 53.778 54.000 -0.040 0.000 0.923 426 D CB 2.324 43.085 40.800 -0.064 0.000 1.174 426 D HN 0.507 nan 8.370 nan 0.000 0.443 427 V N 1.165 121.029 119.914 -0.083 0.000 2.585 427 V HA 0.361 4.481 4.120 0.000 0.000 0.296 427 V C 1.443 177.315 176.094 -0.369 0.000 1.035 427 V CA 1.319 63.540 62.300 -0.132 0.000 1.084 427 V CB 0.659 32.476 31.823 -0.010 0.000 0.953 427 V HN 0.967 nan 8.190 nan 0.000 0.483 428 G N 3.637 112.004 108.800 -0.721 0.000 2.176 428 G HA2 -0.231 3.729 3.960 0.000 0.000 0.232 428 G HA3 -0.231 3.729 3.960 0.000 0.000 0.232 428 G C 0.257 174.731 174.900 -0.710 0.000 0.986 428 G CA 0.288 44.476 45.100 -1.519 0.000 0.643 428 G HN 0.781 nan 8.290 nan 0.000 0.522 429 Q N 0.255 119.828 119.800 -0.379 0.000 2.267 429 Q HA 0.609 4.949 4.340 0.000 0.000 0.255 429 Q C 0.329 176.237 176.000 -0.154 0.000 0.923 429 Q CA -0.792 54.886 55.803 -0.208 0.000 0.925 429 Q CB 0.571 29.233 28.738 -0.128 0.000 1.195 429 Q HN 0.267 nan 8.270 nan 0.000 0.417 430 R N 3.975 124.412 120.500 -0.105 0.000 2.298 430 R HA 0.387 4.727 4.340 0.000 0.000 0.310 430 R C -1.049 175.224 176.300 -0.045 0.000 1.068 430 R CA -0.072 55.989 56.100 -0.064 0.000 0.957 430 R CB 0.174 30.450 30.300 -0.041 0.000 1.003 430 R HN 0.643 nan 8.270 nan 0.000 0.454 431 L N 0.875 122.075 121.223 -0.038 0.000 2.371 431 L HA 0.778 5.118 4.340 0.000 0.000 0.262 431 L C -0.760 176.102 176.870 -0.013 0.000 1.006 431 L CA -1.471 53.357 54.840 -0.020 0.000 0.818 431 L CB 2.114 44.167 42.059 -0.010 0.000 1.354 431 L HN 0.342 nan 8.230 nan 0.000 0.415 432 R N 1.081 121.580 120.500 -0.001 0.000 2.528 432 R HA 0.448 4.788 4.340 0.000 0.000 0.271 432 R C -0.482 175.825 176.300 0.010 0.000 1.056 432 R CA -0.651 55.450 56.100 0.002 0.000 1.117 432 R CB 0.662 30.965 30.300 0.005 0.000 1.085 432 R HN 0.792 nan 8.270 nan 0.000 0.530 433 R N 0.135 120.640 120.500 0.009 0.000 2.590 433 R HA 0.357 4.697 4.340 0.000 0.000 0.274 433 R C 0.373 176.689 176.300 0.027 0.000 1.061 433 R CA 0.531 56.641 56.100 0.017 0.000 1.081 433 R CB 0.211 30.517 30.300 0.010 0.000 0.984 433 R HN 0.701 nan 8.270 nan 0.000 0.448 434 G N 1.500 110.327 108.800 0.044 0.000 2.176 434 G HA2 -0.321 3.639 3.960 0.000 0.000 0.253 434 G HA3 -0.321 3.639 3.960 0.000 0.000 0.253 434 G C 0.117 175.048 174.900 0.051 0.000 0.979 434 G CA 0.387 45.514 45.100 0.045 0.000 0.641 434 G HN 1.042 nan 8.290 nan 0.000 0.530 435 T N 0.094 114.686 114.554 0.063 0.000 2.817 435 T HA 0.591 4.941 4.350 0.000 0.000 0.293 435 T C -2.394 172.373 174.700 0.111 0.000 0.964 435 T CA -1.654 60.486 62.100 0.066 0.000 1.085 435 T CB 2.180 71.081 68.868 0.054 0.000 0.921 435 T HN 0.080 nan 8.240 nan 0.000 0.502 436 P HA 0.099 nan 4.420 nan 0.000 0.271 436 P C 0.545 177.911 177.300 0.110 0.000 1.220 436 P CA -0.468 62.659 63.100 0.046 0.000 0.768 436 P CB 0.250 31.938 31.700 -0.020 0.000 0.848 437 W N 4.082 125.371 121.300 -0.019 0.000 2.873 437 W HA 0.401 5.062 4.660 0.000 0.000 0.282 437 W C -1.431 175.078 176.519 -0.015 0.000 1.118 437 W CA -0.026 57.308 57.345 -0.018 0.000 1.480 437 W CB 0.069 29.518 29.460 -0.018 0.000 0.954 437 W HN 0.135 nan 8.180 nan 0.000 0.591 438 L N 2.182 122.929 121.223 -0.793 0.000 2.470 438 L HA 0.524 4.864 4.340 0.000 0.000 0.268 438 L C -0.664 175.908 176.870 -0.497 0.000 0.964 438 L CA -0.998 53.376 54.840 -0.777 0.000 0.839 438 L CB 2.124 43.303 42.059 -1.467 0.000 1.276 438 L HN -0.028 nan 8.230 nan 0.000 0.403 439 R N 3.865 124.183 120.500 -0.303 0.000 2.295 439 R HA 0.749 5.089 4.340 0.000 0.000 0.324 439 R C -1.593 174.541 176.300 -0.277 0.000 0.968 439 R CA -0.529 55.404 56.100 -0.279 0.000 0.837 439 R CB 1.299 31.469 30.300 -0.217 0.000 1.133 439 R HN 0.529 nan 8.270 nan 0.000 0.450 440 V N 5.184 124.917 119.914 -0.300 0.000 2.407 440 V HA 0.244 4.364 4.120 0.000 0.000 0.278 440 V C -0.073 175.840 176.094 -0.301 0.000 1.037 440 V CA -0.600 61.575 62.300 -0.208 0.000 0.900 440 V CB 1.327 33.060 31.823 -0.149 0.000 0.983 440 V HN 0.774 nan 8.190 nan 0.000 0.459 441 H N 6.192 125.232 119.070 -0.050 0.000 2.597 441 H HA 0.523 5.079 4.556 0.000 0.000 0.303 441 H C -0.008 175.308 175.328 -0.020 0.000 1.057 441 H CA -0.452 55.577 56.048 -0.031 0.000 1.261 441 H CB 1.134 30.883 29.762 -0.023 0.000 1.397 441 H HN 0.692 nan 8.280 nan 0.000 0.461 442 R N 1.388 121.917 120.500 0.049 0.000 2.795 442 R HA 0.337 4.677 4.340 0.000 0.000 0.275 442 R C -0.753 175.563 176.300 0.026 0.000 0.981 442 R CA -0.807 55.311 56.100 0.031 0.000 0.917 442 R CB 1.465 31.767 30.300 0.002 0.000 1.202 442 R HN 0.218 nan 8.270 nan 0.000 0.469 443 D N 0.669 121.083 120.400 0.022 0.000 2.346 443 D HA 0.099 4.739 4.640 0.000 0.000 0.206 443 D C 0.741 177.046 176.300 0.008 0.000 1.001 443 D CA 0.743 54.752 54.000 0.016 0.000 0.871 443 D CB 0.504 41.313 40.800 0.014 0.000 0.943 443 D HN 0.673 nan 8.370 nan 0.000 0.518 444 G N 0.922 109.725 108.800 0.006 0.000 2.535 444 G HA2 0.317 4.277 3.960 0.000 0.000 0.303 444 G HA3 0.317 4.277 3.960 0.000 0.000 0.303 444 G C -1.638 173.261 174.900 -0.002 0.000 1.237 444 G CA -0.788 44.313 45.100 0.002 0.000 0.986 444 G HN -0.125 nan 8.290 nan 0.000 0.494 445 P HA 0.201 nan 4.420 nan 0.000 0.229 445 P C 0.156 177.450 177.300 -0.010 0.000 1.160 445 P CA 1.131 64.228 63.100 -0.006 0.000 0.777 445 P CB 0.505 32.203 31.700 -0.004 0.000 0.814 446 A N -0.829 121.986 122.820 -0.009 0.000 2.608 446 A HA 0.552 4.873 4.320 0.000 0.000 0.292 446 A C -1.273 176.306 177.584 -0.009 0.000 1.066 446 A CA -0.737 51.293 52.037 -0.011 0.000 0.676 446 A CB 0.313 19.309 19.000 -0.007 0.000 1.277 446 A HN -0.037 nan 8.150 nan 0.000 0.413 447 L N 2.127 123.342 121.223 -0.013 0.000 2.349 447 L HA 0.414 4.755 4.340 0.000 0.000 0.275 447 L C 1.270 178.141 176.870 0.000 0.000 1.115 447 L CA -0.410 54.426 54.840 -0.006 0.000 0.820 447 L CB 1.282 43.334 42.059 -0.011 0.000 1.135 447 L HN 0.907 nan 8.230 nan 0.000 0.445 448 S N 1.691 117.395 115.700 0.006 0.000 2.576 448 S HA 0.076 4.547 4.470 0.000 0.000 0.272 448 S C 1.356 175.961 174.600 0.009 0.000 1.352 448 S CA -0.213 57.992 58.200 0.008 0.000 1.021 448 S CB 1.275 64.481 63.200 0.012 0.000 0.887 448 S HN 0.802 nan 8.310 nan 0.000 0.542 449 G N 2.043 110.849 108.800 0.009 0.000 2.553 449 G HA2 -0.153 3.808 3.960 0.000 0.000 0.218 449 G HA3 -0.153 3.808 3.960 0.000 0.000 0.218 449 G C -0.949 173.959 174.900 0.015 0.000 1.195 449 G CA 1.036 46.143 45.100 0.012 0.000 0.779 449 G HN 0.681 nan 8.290 nan 0.000 0.577 450 P HA -0.145 nan 4.420 nan 0.000 0.216 450 P C 2.015 179.326 177.300 0.018 0.000 1.153 450 P CA 1.893 65.001 63.100 0.015 0.000 0.858 450 P CB -0.184 31.524 31.700 0.013 0.000 0.789 451 Q N -1.179 118.632 119.800 0.018 0.000 2.187 451 Q HA -0.056 4.284 4.340 0.000 0.000 0.199 451 Q C 2.208 178.222 176.000 0.024 0.000 0.957 451 Q CA 1.516 57.331 55.803 0.021 0.000 0.857 451 Q CB -1.065 27.686 28.738 0.020 0.000 0.929 451 Q HN 0.084 nan 8.270 nan 0.000 0.453 452 S N 0.797 116.509 115.700 0.020 0.000 2.368 452 S HA -0.104 4.367 4.470 0.000 0.000 0.225 452 S C 2.040 176.668 174.600 0.046 0.000 1.030 452 S CA 1.046 59.261 58.200 0.025 0.000 0.999 452 S CB -0.064 63.147 63.200 0.017 0.000 0.844 452 S HN 0.425 nan 8.310 nan 0.000 0.459 453 R N 0.447 120.970 120.500 0.039 0.000 2.075 453 R HA 0.041 4.381 4.340 0.000 0.000 0.232 453 R C 2.632 178.963 176.300 0.051 0.000 1.126 453 R CA 1.214 57.340 56.100 0.043 0.000 0.963 453 R CB -0.550 29.767 30.300 0.028 0.000 0.858 453 R HN 0.492 nan 8.270 nan 0.000 0.435 454 A N 0.985 123.830 122.820 0.043 0.000 1.933 454 A HA -0.130 4.190 4.320 0.000 0.000 0.218 454 A C 2.100 179.729 177.584 0.076 0.000 1.175 454 A CA 1.171 53.234 52.037 0.043 0.000 0.628 454 A CB -0.426 18.590 19.000 0.027 0.000 0.814 454 A HN 0.192 nan 8.150 nan 0.000 0.444 455 L N -1.264 120.018 121.223 0.098 0.000 2.131 455 L HA -0.182 4.158 4.340 0.000 0.000 0.206 455 L C 2.832 179.895 176.870 0.321 0.000 1.087 455 L CA 1.179 56.120 54.840 0.168 0.000 0.767 455 L CB -0.534 41.579 42.059 0.091 0.000 0.917 455 L HN 0.470 nan 8.230 nan 0.000 0.441 456 Q N 0.335 120.285 119.800 0.250 0.000 2.124 456 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 456 Q C 1.879 177.941 176.000 0.103 0.000 0.977 456 Q CA 1.899 57.855 55.803 0.254 0.000 0.850 456 Q CB -0.052 28.779 28.738 0.154 0.000 0.901 456 Q HN 0.577 nan 8.270 nan 0.000 0.429 457 E N 0.172 120.414 120.200 0.069 0.000 2.418 457 E HA -0.046 4.304 4.350 0.000 0.000 0.197 457 E C 1.512 178.109 176.600 -0.005 0.000 1.026 457 E CA 0.933 57.340 56.400 0.012 0.000 0.862 457 E CB -0.163 29.544 29.700 0.012 0.000 0.799 457 E HN 0.291 nan 8.360 nan 0.000 0.518 458 A N 0.870 123.718 122.820 0.047 0.000 1.968 458 A HA 0.046 4.366 4.320 0.000 0.000 0.217 458 A C 1.135 178.650 177.584 -0.116 0.000 1.169 458 A CA 0.376 52.437 52.037 0.040 0.000 0.638 458 A CB -0.354 18.762 19.000 0.192 0.000 0.812 458 A HN 0.345 nan 8.150 nan 0.000 0.446 459 L N 1.480 122.487 121.223 -0.361 0.000 2.385 459 L HA 0.351 4.691 4.340 0.000 0.000 0.281 459 L C -0.608 176.043 176.870 -0.363 0.000 1.106 459 L CA 0.140 54.578 54.840 -0.670 0.000 0.856 459 L CB 0.782 41.949 42.059 -1.487 0.000 1.186 459 L HN 0.026 nan 8.230 nan 0.000 0.453 460 V N 7.155 126.920 119.914 -0.247 0.000 2.350 460 V HA 0.402 4.523 4.120 0.000 0.000 0.276 460 V C 0.243 176.256 176.094 -0.135 0.000 1.028 460 V CA -0.513 61.699 62.300 -0.147 0.000 0.860 460 V CB 1.114 32.890 31.823 -0.078 0.000 0.990 460 V HN 0.589 nan 8.190 nan 0.000 0.453 461 L N 4.553 125.704 121.223 -0.119 0.000 2.333 461 L HA 0.858 5.198 4.340 0.000 0.000 0.269 461 L C 0.194 177.038 176.870 -0.043 0.000 1.010 461 L CA -0.198 54.588 54.840 -0.089 0.000 0.818 461 L CB 2.279 44.271 42.059 -0.111 0.000 1.306 461 L HN 0.801 nan 8.230 nan 0.000 0.430 462 S N -1.224 114.467 115.700 -0.015 0.000 2.685 462 S HA 0.381 4.851 4.470 0.000 0.000 0.282 462 S C -0.290 174.315 174.600 0.009 0.000 1.159 462 S CA -0.694 57.508 58.200 0.003 0.000 0.833 462 S CB 1.924 65.139 63.200 0.024 0.000 1.151 462 S HN 0.562 nan 8.310 nan 0.000 0.485 463 D N 0.415 120.821 120.400 0.010 0.000 2.347 463 D HA 0.204 4.844 4.640 0.000 0.000 0.213 463 D C 0.674 176.990 176.300 0.026 0.000 0.985 463 D CA 0.286 54.293 54.000 0.011 0.000 0.879 463 D CB -0.108 40.694 40.800 0.004 0.000 0.919 463 D HN 0.373 nan 8.370 nan 0.000 0.526 464 R N 0.456 120.982 120.500 0.044 0.000 2.817 464 R HA 0.249 4.590 4.340 0.000 0.000 0.264 464 R C 0.359 176.713 176.300 0.091 0.000 1.009 464 R CA -0.047 56.093 56.100 0.066 0.000 1.133 464 R CB 0.355 30.709 30.300 0.090 0.000 1.013 464 R HN -0.013 nan 8.270 nan 0.000 0.453 465 A N 3.824 126.701 122.820 0.094 0.000 2.462 465 A HA 0.244 4.564 4.320 0.000 0.000 0.243 465 A C -1.912 175.779 177.584 0.178 0.000 1.076 465 A CA -1.265 50.831 52.037 0.098 0.000 0.773 465 A CB -0.200 18.845 19.000 0.075 0.000 1.010 465 A HN 0.459 nan 8.150 nan 0.000 0.493 466 P HA 0.308 nan 4.420 nan 0.000 0.267 466 P C -0.859 176.512 177.300 0.118 0.000 1.200 466 P CA 0.561 63.674 63.100 0.022 0.000 0.772 466 P CB 0.148 31.824 31.700 -0.040 0.000 0.855 467 F N -1.030 118.916 119.950 -0.007 0.000 2.643 467 F HA 0.760 5.287 4.527 0.000 0.000 0.314 467 F C -0.781 175.017 175.800 -0.003 0.000 1.096 467 F CA -1.935 56.062 58.000 -0.005 0.000 0.953 467 F CB 0.685 39.682 39.000 -0.005 0.000 1.345 467 F HN 0.363 nan 8.300 nan 0.000 0.468 468 A N 1.413 124.340 122.820 0.179 0.000 2.477 468 A HA 0.583 4.903 4.320 0.000 0.000 0.246 468 A C 0.382 178.046 177.584 0.132 0.000 1.078 468 A CA -0.116 51.971 52.037 0.084 0.000 0.770 468 A CB -0.453 18.598 19.000 0.085 0.000 1.011 468 A HN 1.600 nan 8.150 nan 0.000 0.494 469 A N 4.695 127.529 122.820 0.022 0.000 2.537 469 A HA 0.452 4.772 4.320 0.000 0.000 0.260 469 A C -2.014 175.629 177.584 0.099 0.000 1.082 469 A CA -0.706 51.360 52.037 0.048 0.000 0.765 469 A CB -0.882 18.116 19.000 -0.003 0.000 1.019 469 A HN 0.653 nan 8.150 nan 0.000 0.507 470 P HA 0.197 nan 4.420 nan 0.000 0.268 470 P C -0.468 176.875 177.300 0.072 0.000 1.204 470 P CA 0.060 63.227 63.100 0.111 0.000 0.768 470 P CB 0.418 32.189 31.700 0.119 0.000 0.842 471 L N 5.473 126.729 121.223 0.054 0.000 2.371 471 L HA 0.298 4.638 4.340 0.000 0.000 0.272 471 L C -1.609 175.287 176.870 0.042 0.000 1.124 471 L CA -2.088 52.773 54.840 0.035 0.000 0.816 471 L CB -0.041 42.028 42.059 0.018 0.000 1.129 471 L HN 0.287 nan 8.230 nan 0.000 0.448 472 P HA -0.168 nan 4.420 nan 0.000 0.263 472 P C -0.515 176.826 177.300 0.069 0.000 1.168 472 P CA 0.194 63.319 63.100 0.041 0.000 0.759 472 P CB 0.202 31.909 31.700 0.012 0.000 0.782 473 F N 2.567 122.491 119.950 -0.043 0.000 2.578 473 F HA 0.298 4.825 4.527 0.000 0.000 0.376 473 F C 0.123 175.920 175.800 -0.005 0.000 1.085 473 F CA 0.313 58.304 58.000 -0.016 0.000 1.260 473 F CB 0.398 39.391 39.000 -0.011 0.000 1.095 473 F HN 0.440 nan 8.300 nan 0.000 0.573 474 A N 6.511 128.966 122.820 -0.608 0.000 2.768 474 A HA 0.267 4.587 4.320 0.000 0.000 0.298 474 A C -0.838 176.437 177.584 -0.517 0.000 1.159 474 A CA -0.642 51.159 52.037 -0.395 0.000 0.783 474 A CB 0.327 19.219 19.000 -0.179 0.000 1.333 474 A HN 0.764 nan 8.150 nan 0.000 0.412 475 E N 2.191 122.066 120.200 -0.541 0.000 2.216 475 E HA 0.490 4.840 4.350 0.000 0.000 0.279 475 E C -1.103 175.439 176.600 -0.096 0.000 0.997 475 E CA -0.695 55.521 56.400 -0.306 0.000 0.817 475 E CB 0.919 30.521 29.700 -0.163 0.000 1.096 475 E HN 0.462 nan 8.360 nan 0.000 0.393 476 L N 4.142 125.317 121.223 -0.079 0.000 2.326 476 L HA 0.260 4.601 4.340 0.000 0.000 0.278 476 L C -0.536 176.339 176.870 0.009 0.000 1.092 476 L CA -0.497 54.330 54.840 -0.023 0.000 0.810 476 L CB 1.621 43.658 42.059 -0.037 0.000 1.153 476 L HN 0.329 nan 8.230 nan 0.000 0.439 477 V N 5.550 125.485 119.914 0.035 0.000 2.334 477 V HA 0.426 4.546 4.120 0.000 0.000 0.281 477 V C 0.149 176.281 176.094 0.063 0.000 1.016 477 V CA -0.618 61.707 62.300 0.040 0.000 0.832 477 V CB 1.397 33.238 31.823 0.031 0.000 0.999 477 V HN 0.487 nan 8.190 nan 0.000 0.439 478 L N 6.912 128.179 121.223 0.073 0.000 2.334 478 L HA 0.597 4.937 4.340 0.000 0.000 0.275 478 L C -1.538 175.383 176.870 0.085 0.000 1.036 478 L CA -1.550 53.358 54.840 0.112 0.000 0.807 478 L CB 2.052 44.203 42.059 0.153 0.000 1.231 478 L HN 0.472 nan 8.230 nan 0.000 0.438 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.131 63.100 0.052 0.000 0.800 479 P CB 0.000 31.721 31.700 0.035 0.000 0.726