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 2qg7_1_B DATA FIRST_RESID 54 DATA SEQUENCE ESNLRILEGE DRSEKAKELL KKYVSNVFEN EKTLYIYCKY VMLHYGKDLV DATA SEQUENCE NPNEVDSLEF QIINXGITNI LIKVKDMSKQ AKYLIRLYXX XXDEIINRER DATA SEQUENCE EKKISCILYN KNIAKKIYVF FTNGRIEEFM DGYALSREDI KNPKFQKLIA DATA SEQUENCE KNLKLLHDIK LNENLYKELQ VTQKVPGTRP SFLWNTIWKY FHLLNEERKK DATA SEQUENCE ICSFDAKANI LKLIDFDVLR DSIVEVESLC KRENSPIVLC HCDLLSSNII DATA SEQUENCE NTVGXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX GDSISFIDFE DATA SEQUENCE YSCPMERAYD IANHFNEYAG FNCDWDLTPS KEEEYHFIMH YLGTDDEELI DATA SEQUENCE NQLIREIQPF YICSHINWGL WSLLQGMHSS XDFDFINYGM TRLTASCLPI DATA SEQUENCE FRSKV 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 54 E HA 0.000 nan 4.350 nan 0.000 0.291 54 E C 0.000 176.540 176.600 -0.100 0.000 1.382 54 E CA 0.000 56.350 56.400 -0.083 0.000 0.976 54 E CB 0.000 29.665 29.700 -0.059 0.000 0.812 55 S N 1.202 116.854 115.700 -0.080 0.000 2.547 55 S HA -0.031 4.438 4.470 -0.000 0.000 0.235 55 S C 1.176 175.722 174.600 -0.090 0.000 0.980 55 S CA 1.108 59.270 58.200 -0.063 0.000 0.941 55 S CB -0.391 62.790 63.200 -0.033 0.000 0.763 55 S HN 0.276 nan 8.310 nan 0.000 0.532 56 N N 1.391 119.981 118.700 -0.183 0.000 2.106 56 N HA 0.011 4.750 4.740 -0.000 0.000 0.188 56 N C 0.499 175.800 175.510 -0.348 0.000 1.029 56 N CA 0.873 53.705 53.050 -0.363 0.000 0.848 56 N CB -0.155 37.852 38.487 -0.800 0.000 1.007 56 N HN 0.289 nan 8.380 nan 0.000 0.423 57 L N 0.695 121.744 121.223 -0.291 0.000 3.036 57 L HA 0.268 4.608 4.340 -0.000 0.000 0.237 57 L C 0.094 176.921 176.870 -0.071 0.000 1.319 57 L CA -0.263 54.461 54.840 -0.193 0.000 1.112 57 L CB 0.039 41.918 42.059 -0.299 0.000 1.480 57 L HN 0.053 nan 8.230 nan 0.000 0.506 58 R N 1.222 121.713 120.500 -0.016 0.000 2.229 58 R HA 0.450 4.790 4.340 -0.000 0.000 0.332 58 R C -0.493 175.853 176.300 0.076 0.000 0.989 58 R CA -0.382 55.735 56.100 0.029 0.000 0.842 58 R CB 0.679 30.983 30.300 0.007 0.000 1.119 58 R HN 0.216 nan 8.270 nan 0.000 0.456 59 I N 6.993 127.631 120.570 0.114 0.000 2.281 59 I HA 0.100 4.270 4.170 -0.000 0.000 0.293 59 I C -0.028 176.121 176.117 0.053 0.000 1.085 59 I CA -0.359 60.994 61.300 0.088 0.000 1.257 59 I CB 0.654 38.707 38.000 0.088 0.000 1.430 59 I HN 0.494 nan 8.210 nan 0.000 0.489 60 L N 5.718 126.964 121.223 0.039 0.000 2.461 60 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 60 L C 1.205 178.086 176.870 0.019 0.000 1.197 60 L CA 0.046 54.902 54.840 0.026 0.000 0.836 60 L CB 0.091 42.163 42.059 0.022 0.000 1.105 60 L HN 0.546 nan 8.230 nan 0.000 0.477 61 E N 1.542 121.751 120.200 0.016 0.000 2.568 61 E HA -0.035 4.314 4.350 -0.000 0.000 0.262 61 E C 0.910 177.514 176.600 0.006 0.000 0.961 61 E CA 1.258 57.665 56.400 0.010 0.000 0.945 61 E CB 0.478 30.183 29.700 0.009 0.000 0.924 61 E HN 0.768 nan 8.360 nan 0.000 0.467 62 G N 4.633 113.434 108.800 0.002 0.000 2.611 62 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.208 62 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.208 62 G C -0.037 174.859 174.900 -0.006 0.000 1.201 62 G CA 0.108 45.207 45.100 -0.002 0.000 0.739 62 G HN 0.589 nan 8.290 nan 0.000 0.528 63 E N 1.781 121.979 120.200 -0.004 0.000 2.481 63 E HA 0.325 4.675 4.350 -0.000 0.000 0.263 63 E C -0.153 176.434 176.600 -0.023 0.000 0.992 63 E CA 0.416 56.809 56.400 -0.010 0.000 0.938 63 E CB 0.559 30.258 29.700 -0.002 0.000 0.933 63 E HN 0.449 nan 8.360 nan 0.000 0.453 64 D N 1.380 121.759 120.400 -0.034 0.000 2.417 64 D HA -0.032 4.608 4.640 -0.000 0.000 0.250 64 D C 0.992 177.243 176.300 -0.082 0.000 1.166 64 D CA 0.179 54.147 54.000 -0.053 0.000 0.881 64 D CB 0.705 41.472 40.800 -0.054 0.000 1.164 64 D HN 0.303 nan 8.370 nan 0.000 0.467 65 R N 2.027 122.468 120.500 -0.098 0.000 2.092 65 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 65 R C 1.838 177.987 176.300 -0.252 0.000 1.119 65 R CA 1.624 57.629 56.100 -0.159 0.000 0.970 65 R CB 0.047 30.266 30.300 -0.135 0.000 0.864 65 R HN 0.616 nan 8.270 nan 0.000 0.440 66 S N -0.569 115.014 115.700 -0.196 0.000 2.427 66 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 66 S C 1.537 176.010 174.600 -0.211 0.000 1.047 66 S CA 0.275 58.345 58.200 -0.217 0.000 0.953 66 S CB 0.103 63.214 63.200 -0.148 0.000 0.824 66 S HN 0.336 nan 8.310 nan 0.000 0.502 67 E N 1.002 121.109 120.200 -0.155 0.000 2.347 67 E HA 0.081 4.431 4.350 -0.000 0.000 0.196 67 E C 1.869 178.380 176.600 -0.149 0.000 1.008 67 E CA 0.506 56.822 56.400 -0.141 0.000 0.852 67 E CB 0.037 29.682 29.700 -0.091 0.000 0.783 67 E HN 0.359 nan 8.360 nan 0.000 0.505 68 K N 0.183 120.494 120.400 -0.148 0.000 2.354 68 K HA 0.178 4.498 4.320 -0.000 0.000 0.194 68 K C 1.687 178.200 176.600 -0.146 0.000 1.038 68 K CA 0.427 56.648 56.287 -0.111 0.000 1.052 68 K CB 0.401 32.861 32.500 -0.067 0.000 0.861 68 K HN 0.063 nan 8.250 nan 0.000 0.535 69 A N 1.752 124.400 122.820 -0.287 0.000 1.897 69 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 69 A C 1.881 179.262 177.584 -0.338 0.000 1.181 69 A CA 1.174 52.960 52.037 -0.418 0.000 0.620 69 A CB -0.169 18.424 19.000 -0.677 0.000 0.821 69 A HN 0.245 nan 8.150 nan 0.000 0.443 70 K N 0.101 120.209 120.400 -0.487 0.000 2.063 70 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 70 K C 1.884 178.277 176.600 -0.345 0.000 1.048 70 K CA 1.670 57.507 56.287 -0.752 0.000 0.928 70 K CB -0.263 31.700 32.500 -0.895 0.000 0.713 70 K HN 0.606 nan 8.250 nan 0.000 0.442 71 E N 1.014 121.100 120.200 -0.190 0.000 2.077 71 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 71 E C 2.026 178.643 176.600 0.028 0.000 0.989 71 E CA 1.045 57.405 56.400 -0.066 0.000 0.800 71 E CB -0.132 29.544 29.700 -0.040 0.000 0.746 71 E HN 0.250 nan 8.360 nan 0.000 0.452 72 L N 0.469 121.757 121.223 0.108 0.000 2.291 72 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 72 L C 2.251 179.361 176.870 0.400 0.000 1.120 72 L CA 0.424 55.459 54.840 0.326 0.000 0.799 72 L CB -0.146 42.168 42.059 0.425 0.000 0.925 72 L HN 0.138 nan 8.230 nan 0.000 0.446 73 L N -0.596 120.759 121.223 0.221 0.000 2.131 73 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 73 L C 2.551 179.599 176.870 0.297 0.000 1.087 73 L CA 0.795 55.789 54.840 0.256 0.000 0.767 73 L CB -0.313 41.717 42.059 -0.049 0.000 0.917 73 L HN 0.147 nan 8.230 nan 0.000 0.441 74 K N 0.179 120.678 120.400 0.165 0.000 2.155 74 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 74 K C 1.916 178.570 176.600 0.089 0.000 1.052 74 K CA 0.969 57.343 56.287 0.145 0.000 0.948 74 K CB -0.118 32.430 32.500 0.079 0.000 0.728 74 K HN 0.102 nan 8.250 nan 0.000 0.448 75 K N 0.604 121.029 120.400 0.042 0.000 1.974 75 K HA -0.078 4.242 4.320 -0.000 0.000 0.211 75 K C 0.129 176.617 176.600 -0.188 0.000 1.039 75 K CA 1.084 57.285 56.287 -0.143 0.000 0.947 75 K CB -0.348 31.995 32.500 -0.262 0.000 0.735 75 K HN -0.039 nan 8.250 nan 0.000 0.441 76 Y N 0.726 121.104 120.300 0.130 0.000 2.486 76 Y HA 0.216 4.765 4.550 -0.000 0.000 0.348 76 Y C 0.428 176.381 175.900 0.089 0.000 1.000 76 Y CA -0.537 57.601 58.100 0.063 0.000 1.253 76 Y CB 1.246 39.714 38.460 0.013 0.000 1.140 76 Y HN -0.142 nan 8.280 nan 0.000 0.526 77 V N 0.650 120.636 119.914 0.120 0.000 3.382 77 V HA -0.058 4.062 4.120 -0.000 0.000 0.296 77 V C 1.376 177.486 176.094 0.027 0.000 1.529 77 V CA 0.515 62.899 62.300 0.139 0.000 1.048 77 V CB 0.505 32.420 31.823 0.153 0.000 0.878 77 V HN 0.786 nan 8.190 nan 0.000 0.442 78 S N 1.474 117.128 115.700 -0.078 0.000 2.365 78 S HA -0.235 4.234 4.470 -0.000 0.000 0.225 78 S C 1.290 175.781 174.600 -0.182 0.000 1.039 78 S CA 1.654 59.773 58.200 -0.135 0.000 1.033 78 S CB -0.303 62.781 63.200 -0.193 0.000 0.887 78 S HN 0.697 nan 8.310 nan 0.000 0.447 79 N N -0.375 118.095 118.700 -0.384 0.000 2.753 79 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 79 N C -0.968 174.309 175.510 -0.388 0.000 1.097 79 N CA 0.733 53.581 53.050 -0.336 0.000 0.786 79 N CB -1.776 36.770 38.487 0.097 0.000 1.137 79 N HN 0.308 nan 8.380 nan 0.000 0.566 80 V N 0.825 120.403 119.914 -0.560 0.000 2.370 80 V HA 0.555 4.675 4.120 -0.000 0.000 0.279 80 V C 0.220 175.954 176.094 -0.601 0.000 1.029 80 V CA -0.402 61.680 62.300 -0.363 0.000 0.870 80 V CB 0.713 32.422 31.823 -0.190 0.000 0.984 80 V HN 0.032 nan 8.190 nan 0.000 0.451 81 F N 1.753 121.662 119.950 -0.067 0.000 2.532 81 F HA 0.473 5.000 4.527 -0.000 0.000 0.321 81 F C 1.182 176.931 175.800 -0.086 0.000 1.089 81 F CA -0.810 57.131 58.000 -0.098 0.000 0.926 81 F CB 1.960 40.892 39.000 -0.114 0.000 1.168 81 F HN 0.528 nan 8.300 nan 0.000 0.459 82 E N 2.220 122.478 120.200 0.097 0.000 2.026 82 E HA -0.214 4.136 4.350 -0.000 0.000 0.206 82 E C 0.217 176.823 176.600 0.009 0.000 1.028 82 E CA 2.278 58.692 56.400 0.024 0.000 0.845 82 E CB 0.065 29.764 29.700 -0.002 0.000 0.772 82 E HN 0.731 nan 8.360 nan 0.000 0.462 83 N N -2.270 116.419 118.700 -0.018 0.000 3.439 83 N HA 0.086 4.825 4.740 -0.000 0.000 0.313 83 N C 0.479 175.883 175.510 -0.177 0.000 1.598 83 N CA -0.211 52.798 53.050 -0.068 0.000 0.830 83 N CB 0.052 38.500 38.487 -0.065 0.000 1.849 83 N HN 0.009 nan 8.380 nan 0.000 0.598 84 E N 0.007 120.069 120.200 -0.231 0.000 2.058 84 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 84 E C 1.297 177.446 176.600 -0.751 0.000 0.997 84 E CA 1.162 57.277 56.400 -0.476 0.000 0.801 84 E CB 0.022 29.547 29.700 -0.292 0.000 0.746 84 E HN 0.431 nan 8.360 nan 0.000 0.450 85 K N 0.464 120.643 120.400 -0.370 0.000 2.103 85 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 85 K C 1.933 178.395 176.600 -0.230 0.000 1.048 85 K CA 1.533 57.683 56.287 -0.228 0.000 0.930 85 K CB -0.206 32.245 32.500 -0.082 0.000 0.716 85 K HN 0.117 nan 8.250 nan 0.000 0.444 86 T N 1.843 116.261 114.554 -0.225 0.000 2.904 86 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 86 T C 1.741 176.287 174.700 -0.256 0.000 1.059 86 T CA 0.913 62.917 62.100 -0.159 0.000 1.137 86 T CB -0.099 68.739 68.868 -0.050 0.000 0.879 86 T HN 0.176 nan 8.240 nan 0.000 0.467 87 L N 0.525 121.460 121.223 -0.480 0.000 2.027 87 L HA -0.001 4.338 4.340 -0.000 0.000 0.206 87 L C 2.020 178.606 176.870 -0.472 0.000 1.074 87 L CA 1.641 55.984 54.840 -0.828 0.000 0.745 87 L CB -0.858 40.718 42.059 -0.805 0.000 0.898 87 L HN 0.371 nan 8.230 nan 0.000 0.433 88 Y N -0.710 119.353 120.300 -0.395 0.000 2.384 88 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 88 Y C 2.329 177.889 175.900 -0.566 0.000 1.152 88 Y CA 0.650 58.442 58.100 -0.514 0.000 1.258 88 Y CB -0.278 38.030 38.460 -0.253 0.000 0.979 88 Y HN 0.289 nan 8.280 nan 0.000 0.549 89 I N -1.681 118.749 120.570 -0.234 0.000 2.406 89 I HA -0.275 3.895 4.170 -0.000 0.000 0.249 89 I C 2.121 177.968 176.117 -0.450 0.000 1.122 89 I CA 1.064 62.184 61.300 -0.299 0.000 1.431 89 I CB -0.426 37.403 38.000 -0.284 0.000 1.087 89 I HN 0.155 nan 8.210 nan 0.000 0.424 90 Y N 1.211 121.243 120.300 -0.446 0.000 2.220 90 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 90 Y C 2.747 178.537 175.900 -0.182 0.000 1.129 90 Y CA 1.224 59.150 58.100 -0.290 0.000 1.161 90 Y CB -0.377 38.041 38.460 -0.069 0.000 0.997 90 Y HN 0.160 nan 8.280 nan 0.000 0.522 91 C N 0.712 119.870 119.300 -0.236 0.000 2.401 91 C HA -0.226 4.234 4.460 -0.000 0.000 0.276 91 C C 2.745 177.519 174.990 -0.360 0.000 1.233 91 C CA 1.739 60.549 59.018 -0.346 0.000 1.753 91 C CB -1.101 26.266 27.740 -0.621 0.000 2.029 91 C HN 0.560 nan 8.230 nan 0.000 0.478 92 K N -0.654 119.483 120.400 -0.437 0.000 2.057 92 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 92 K C 1.901 178.604 176.600 0.171 0.000 1.049 92 K CA 1.690 57.983 56.287 0.011 0.000 0.931 92 K CB -0.260 32.298 32.500 0.097 0.000 0.714 92 K HN 0.499 nan 8.250 nan 0.000 0.440 93 Y N 0.558 120.745 120.300 -0.190 0.000 2.220 93 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 93 Y C 2.342 178.062 175.900 -0.300 0.000 1.129 93 Y CA 0.243 58.203 58.100 -0.233 0.000 1.161 93 Y CB -0.768 37.519 38.460 -0.289 0.000 0.997 93 Y HN -0.176 nan 8.280 nan 0.000 0.522 94 V N -0.054 119.749 119.914 -0.184 0.000 2.231 94 V HA -0.402 3.718 4.120 -0.000 0.000 0.250 94 V C 2.423 178.478 176.094 -0.064 0.000 1.058 94 V CA 2.096 64.297 62.300 -0.165 0.000 1.022 94 V CB -0.635 31.139 31.823 -0.082 0.000 0.640 94 V HN 0.321 nan 8.190 nan 0.000 0.445 95 M N -1.248 118.352 119.600 -0.001 0.000 2.159 95 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 95 M C 2.132 178.394 176.300 -0.063 0.000 1.063 95 M CA 1.619 56.912 55.300 -0.012 0.000 1.110 95 M CB -1.392 31.250 32.600 0.070 0.000 1.374 95 M HN 0.383 nan 8.290 nan 0.000 0.411 96 L N -0.568 120.620 121.223 -0.058 0.000 2.027 96 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 96 L C 2.518 179.317 176.870 -0.118 0.000 1.074 96 L CA 2.146 56.928 54.840 -0.097 0.000 0.745 96 L CB -0.892 41.085 42.059 -0.137 0.000 0.898 96 L HN 0.358 nan 8.230 nan 0.000 0.433 97 H N -2.244 116.640 119.070 -0.310 0.000 2.337 97 H HA 0.009 4.565 4.556 -0.000 0.000 0.311 97 H C 1.922 177.048 175.328 -0.337 0.000 1.054 97 H CA 1.826 57.630 56.048 -0.407 0.000 1.385 97 H CB -0.356 29.020 29.762 -0.643 0.000 1.437 97 H HN 0.372 nan 8.280 nan 0.000 0.553 98 Y N -0.531 119.529 120.300 -0.399 0.000 2.286 98 Y HA 0.119 4.669 4.550 -0.000 0.000 0.293 98 Y C 2.437 178.206 175.900 -0.218 0.000 1.124 98 Y CA 0.479 58.344 58.100 -0.393 0.000 1.178 98 Y CB 0.160 38.392 38.460 -0.380 0.000 1.010 98 Y HN 0.367 nan 8.280 nan 0.000 0.536 99 G N 0.879 109.653 108.800 -0.043 0.000 3.327 99 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.240 99 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.240 99 G C 1.237 176.046 174.900 -0.151 0.000 1.222 99 G CA -0.180 44.853 45.100 -0.111 0.000 0.871 99 G HN 0.457 nan 8.290 nan 0.000 0.525 100 K N -0.553 119.774 120.400 -0.122 0.000 2.365 100 K HA 0.038 4.358 4.320 -0.000 0.000 0.199 100 K C 0.701 177.245 176.600 -0.093 0.000 1.045 100 K CA 0.848 57.071 56.287 -0.106 0.000 0.962 100 K CB 0.229 32.674 32.500 -0.093 0.000 0.759 100 K HN -0.000 nan 8.250 nan 0.000 0.469 101 D N 0.793 121.138 120.400 -0.090 0.000 2.350 101 D HA 0.090 4.730 4.640 -0.000 0.000 0.213 101 D C 1.658 177.893 176.300 -0.109 0.000 1.031 101 D CA 0.454 54.412 54.000 -0.069 0.000 0.861 101 D CB 0.384 41.165 40.800 -0.031 0.000 0.926 101 D HN 0.272 nan 8.370 nan 0.000 0.520 102 L N -0.609 120.498 121.223 -0.192 0.000 2.435 102 L HA 0.188 4.528 4.340 -0.000 0.000 0.195 102 L C 0.645 177.370 176.870 -0.242 0.000 1.072 102 L CA 0.345 55.004 54.840 -0.302 0.000 0.833 102 L CB 0.240 41.930 42.059 -0.615 0.000 1.081 102 L HN -0.275 nan 8.230 nan 0.000 0.485 103 V N 0.880 120.639 119.914 -0.259 0.000 2.555 103 V HA 0.239 4.359 4.120 -0.000 0.000 0.302 103 V C -0.151 175.874 176.094 -0.115 0.000 1.038 103 V CA -0.885 61.312 62.300 -0.172 0.000 0.887 103 V CB 1.776 33.473 31.823 -0.211 0.000 0.991 103 V HN 0.222 nan 8.190 nan 0.000 0.434 104 N N 5.243 123.898 118.700 -0.075 0.000 2.447 104 N HA 0.069 4.809 4.740 -0.000 0.000 0.263 104 N C -1.669 173.806 175.510 -0.059 0.000 1.226 104 N CA -0.994 52.020 53.050 -0.059 0.000 0.906 104 N CB 1.868 40.329 38.487 -0.042 0.000 1.060 104 N HN 0.322 nan 8.380 nan 0.000 0.468 105 P HA -0.192 nan 4.420 nan 0.000 0.218 105 P C 0.711 177.982 177.300 -0.047 0.000 1.150 105 P CA 1.519 64.584 63.100 -0.058 0.000 0.841 105 P CB 0.019 31.684 31.700 -0.058 0.000 0.784 106 N N -0.978 117.698 118.700 -0.040 0.000 2.412 106 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 106 N C 1.333 176.826 175.510 -0.029 0.000 1.101 106 N CA 0.188 53.219 53.050 -0.032 0.000 0.881 106 N CB -0.233 38.237 38.487 -0.028 0.000 0.969 106 N HN 0.212 nan 8.380 nan 0.000 0.459 107 E N 0.792 120.972 120.200 -0.034 0.000 2.444 107 E HA 0.102 4.452 4.350 -0.000 0.000 0.191 107 E C 0.831 177.409 176.600 -0.038 0.000 1.041 107 E CA -0.212 56.167 56.400 -0.035 0.000 0.883 107 E CB 0.442 30.119 29.700 -0.040 0.000 1.024 107 E HN 0.128 nan 8.360 nan 0.000 0.470 108 V N 0.955 120.854 119.914 -0.024 0.000 2.788 108 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 108 V C 1.322 177.431 176.094 0.024 0.000 1.068 108 V CA 1.228 63.527 62.300 -0.002 0.000 1.090 108 V CB 0.053 31.883 31.823 0.013 0.000 0.710 108 V HN 0.267 nan 8.190 nan 0.000 0.467 109 D N 0.178 120.588 120.400 0.016 0.000 2.378 109 D HA -0.035 4.605 4.640 -0.000 0.000 0.227 109 D C 1.846 178.140 176.300 -0.010 0.000 1.012 109 D CA 0.757 54.771 54.000 0.024 0.000 0.905 109 D CB 0.225 41.039 40.800 0.023 0.000 0.895 109 D HN 0.400 nan 8.370 nan 0.000 0.532 110 S N -0.044 115.631 115.700 -0.041 0.000 2.556 110 S HA 0.140 4.610 4.470 -0.000 0.000 0.216 110 S C 0.941 175.460 174.600 -0.135 0.000 0.970 110 S CA -0.249 57.908 58.200 -0.070 0.000 0.912 110 S CB 0.550 63.715 63.200 -0.058 0.000 0.790 110 S HN 0.177 nan 8.310 nan 0.000 0.504 111 L N 2.616 123.724 121.223 -0.190 0.000 2.319 111 L HA 0.280 4.620 4.340 -0.000 0.000 0.280 111 L C 0.346 176.884 176.870 -0.553 0.000 1.099 111 L CA 0.003 54.592 54.840 -0.419 0.000 0.828 111 L CB 0.529 42.249 42.059 -0.565 0.000 1.150 111 L HN 0.117 nan 8.230 nan 0.000 0.442 112 E N 3.548 123.425 120.200 -0.538 0.000 2.174 112 E HA 0.399 4.749 4.350 -0.000 0.000 0.282 112 E C -1.237 174.962 176.600 -0.670 0.000 0.992 112 E CA -0.394 55.725 56.400 -0.468 0.000 0.803 112 E CB 1.362 30.901 29.700 -0.267 0.000 1.090 112 E HN 0.264 nan 8.360 nan 0.000 0.396 113 F N 1.647 121.381 119.950 -0.360 0.000 2.458 113 F HA 0.358 4.884 4.527 -0.000 0.000 0.330 113 F C 0.233 175.618 175.800 -0.693 0.000 1.082 113 F CA -0.844 56.825 58.000 -0.553 0.000 0.995 113 F CB 1.757 40.269 39.000 -0.813 0.000 1.170 113 F HN 0.278 nan 8.300 nan 0.000 0.478 114 Q N 2.849 122.534 119.800 -0.192 0.000 2.296 114 Q HA 0.414 4.754 4.340 -0.000 0.000 0.254 114 Q C -1.753 174.353 176.000 0.175 0.000 0.936 114 Q CA -0.604 55.195 55.803 -0.006 0.000 0.834 114 Q CB 1.717 30.450 28.738 -0.008 0.000 1.340 114 Q HN 0.661 nan 8.270 nan 0.000 0.428 115 I N 5.924 126.684 120.570 0.316 0.000 2.471 115 I HA 0.384 4.554 4.170 -0.000 0.000 0.286 115 I C -0.640 175.591 176.117 0.189 0.000 1.079 115 I CA -0.044 61.416 61.300 0.266 0.000 1.398 115 I CB 0.146 38.290 38.000 0.241 0.000 1.403 115 I HN 0.733 nan 8.210 nan 0.000 0.530 116 I N 5.057 125.736 120.570 0.181 0.000 3.237 116 I HA 0.661 4.831 4.170 -0.000 0.000 0.308 116 I C -0.463 175.738 176.117 0.139 0.000 1.093 116 I CA -1.079 60.318 61.300 0.163 0.000 1.001 116 I CB 1.543 39.661 38.000 0.196 0.000 1.245 116 I HN 0.407 nan 8.210 nan 0.000 0.485 120 I N 1.783 122.422 120.570 0.116 0.000 2.947 120 I HA 0.160 4.330 4.170 -0.000 0.000 0.263 120 I C 2.157 178.367 176.117 0.156 0.000 1.130 120 I CA 1.214 62.569 61.300 0.092 0.000 1.448 120 I CB 0.831 38.843 38.000 0.020 0.000 1.222 120 I HN 0.478 nan 8.210 nan 0.000 0.453 121 T N -0.358 114.322 114.554 0.210 0.000 3.244 121 T HA 0.332 4.681 4.350 -0.000 0.000 0.254 121 T C -0.255 174.566 174.700 0.202 0.000 1.024 121 T CA -0.494 61.741 62.100 0.224 0.000 0.920 121 T CB -1.111 67.923 68.868 0.277 0.000 1.042 121 T HN 0.555 nan 8.240 nan 0.000 0.572 122 N N -0.452 118.366 118.700 0.196 0.000 2.598 122 N HA 0.504 5.244 4.740 -0.000 0.000 0.263 122 N C -1.973 173.649 175.510 0.187 0.000 1.254 122 N CA -1.052 52.129 53.050 0.218 0.000 0.863 122 N CB 0.650 39.304 38.487 0.278 0.000 1.586 122 N HN 0.043 nan 8.380 nan 0.000 0.491 123 I N 0.467 121.152 120.570 0.192 0.000 2.385 123 I HA 0.439 4.609 4.170 -0.000 0.000 0.294 123 I C -0.898 175.321 176.117 0.170 0.000 0.988 123 I CA -0.591 60.813 61.300 0.173 0.000 1.265 123 I CB 0.854 38.962 38.000 0.180 0.000 1.388 123 I HN 0.555 nan 8.210 nan 0.000 0.480 124 L N 8.085 129.406 121.223 0.163 0.000 2.305 124 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 124 L C -1.194 175.793 176.870 0.195 0.000 1.013 124 L CA -0.622 54.323 54.840 0.175 0.000 0.819 124 L CB 1.232 43.391 42.059 0.165 0.000 1.227 124 L HN 0.423 nan 8.230 nan 0.000 0.417 125 I N 3.848 124.547 120.570 0.215 0.000 2.382 125 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 125 I C 0.149 176.418 176.117 0.253 0.000 1.002 125 I CA -0.460 60.983 61.300 0.239 0.000 1.135 125 I CB 1.405 39.555 38.000 0.250 0.000 1.288 125 I HN 0.388 nan 8.210 nan 0.000 0.448 126 K N 5.507 126.040 120.400 0.222 0.000 2.436 126 K HA 0.329 4.649 4.320 -0.000 0.000 0.282 126 K C -1.019 175.604 176.600 0.038 0.000 1.044 126 K CA -0.020 56.345 56.287 0.130 0.000 1.028 126 K CB 0.534 33.058 32.500 0.040 0.000 0.919 126 K HN 0.497 nan 8.250 nan 0.000 0.474 127 V N 5.731 125.655 119.914 0.017 0.000 2.378 127 V HA 0.261 4.381 4.120 -0.000 0.000 0.288 127 V C -0.259 175.750 176.094 -0.142 0.000 1.016 127 V CA -0.769 61.486 62.300 -0.074 0.000 0.840 127 V CB 1.326 33.202 31.823 0.088 0.000 0.994 127 V HN 0.689 nan 8.190 nan 0.000 0.431 128 K N 2.839 123.081 120.400 -0.263 0.000 2.274 128 K HA 0.363 4.683 4.320 -0.000 0.000 0.262 128 K C -0.911 175.574 176.600 -0.192 0.000 0.961 128 K CA -0.648 55.507 56.287 -0.219 0.000 0.833 128 K CB 1.242 33.600 32.500 -0.236 0.000 1.102 128 K HN 0.690 nan 8.250 nan 0.000 0.436 129 D N 5.180 125.528 120.400 -0.086 0.000 2.374 129 D HA 0.051 4.691 4.640 -0.000 0.000 0.240 129 D C 1.008 177.259 176.300 -0.082 0.000 1.229 129 D CA -0.174 53.788 54.000 -0.063 0.000 0.895 129 D CB 0.834 41.660 40.800 0.045 0.000 1.046 129 D HN 0.474 nan 8.370 nan 0.000 0.498 130 M N 1.969 121.509 119.600 -0.100 0.000 2.319 130 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 130 M C 2.050 178.314 176.300 -0.061 0.000 1.068 130 M CA 0.639 55.887 55.300 -0.087 0.000 1.118 130 M CB -1.021 31.524 32.600 -0.090 0.000 1.395 130 M HN 0.455 nan 8.290 nan 0.000 0.435 131 S N 0.104 115.772 115.700 -0.053 0.000 2.387 131 S HA -0.079 4.391 4.470 -0.000 0.000 0.226 131 S C 1.754 176.335 174.600 -0.032 0.000 1.026 131 S CA 0.854 59.031 58.200 -0.038 0.000 0.972 131 S CB -0.169 63.011 63.200 -0.034 0.000 0.814 131 S HN 0.490 nan 8.310 nan 0.000 0.477 132 K N 0.177 120.559 120.400 -0.030 0.000 2.374 132 K HA 0.278 4.598 4.320 -0.000 0.000 0.202 132 K C -0.021 176.557 176.600 -0.036 0.000 1.040 132 K CA 0.009 56.282 56.287 -0.024 0.000 1.085 132 K CB 0.282 32.777 32.500 -0.008 0.000 0.873 132 K HN 0.286 nan 8.250 nan 0.000 0.539 133 Q N -0.718 119.051 119.800 -0.051 0.000 2.468 133 Q HA -0.209 4.131 4.340 -0.000 0.000 0.256 133 Q C -0.424 175.518 176.000 -0.096 0.000 0.984 133 Q CA 0.611 56.372 55.803 -0.070 0.000 1.110 133 Q CB -1.624 27.081 28.738 -0.055 0.000 1.527 133 Q HN 0.400 nan 8.270 nan 0.000 0.535 134 A N 1.031 123.790 122.820 -0.102 0.000 2.363 134 A HA 0.486 4.806 4.320 -0.000 0.000 0.270 134 A C 0.078 177.474 177.584 -0.314 0.000 1.121 134 A CA -0.108 51.810 52.037 -0.200 0.000 0.800 134 A CB 0.642 19.539 19.000 -0.171 0.000 1.052 134 A HN 0.183 nan 8.150 nan 0.000 0.493 135 K N 0.928 121.063 120.400 -0.441 0.000 2.156 135 K HA 0.617 4.937 4.320 -0.000 0.000 0.254 135 K C -1.561 174.687 176.600 -0.587 0.000 0.950 135 K CA -0.148 55.871 56.287 -0.447 0.000 0.849 135 K CB 1.424 33.636 32.500 -0.479 0.000 1.100 135 K HN 0.713 nan 8.250 nan 0.000 0.434 136 Y N 0.426 120.721 120.300 -0.008 0.000 2.638 136 Y HA 0.510 5.060 4.550 -0.000 0.000 0.339 136 Y C -0.658 175.380 175.900 0.229 0.000 1.084 136 Y CA -1.094 57.093 58.100 0.146 0.000 1.068 136 Y CB 1.554 40.055 38.460 0.069 0.000 1.294 136 Y HN 0.211 nan 8.280 nan 0.000 0.480 137 L N 2.457 123.959 121.223 0.465 0.000 2.406 137 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 137 L C -1.334 175.710 176.870 0.288 0.000 0.980 137 L CA -0.483 54.581 54.840 0.373 0.000 0.831 137 L CB 1.538 43.798 42.059 0.334 0.000 1.253 137 L HN 0.508 nan 8.230 nan 0.000 0.406 138 I N 4.141 124.868 120.570 0.262 0.000 2.315 138 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 138 I C 0.069 176.294 176.117 0.180 0.000 1.006 138 I CA -0.348 61.087 61.300 0.225 0.000 1.265 138 I CB 1.355 39.503 38.000 0.246 0.000 1.387 138 I HN 0.500 nan 8.210 nan 0.000 0.475 139 R N 7.234 127.797 120.500 0.105 0.000 2.295 139 R HA 0.609 4.949 4.340 -0.000 0.000 0.324 139 R C -1.472 174.801 176.300 -0.045 0.000 0.968 139 R CA -0.617 55.526 56.100 0.072 0.000 0.837 139 R CB 0.961 31.314 30.300 0.088 0.000 1.133 139 R HN 0.618 nan 8.270 nan 0.000 0.450 140 L N 5.858 127.121 121.223 0.068 0.000 2.298 140 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 140 L C -0.552 176.405 176.870 0.144 0.000 1.013 140 L CA -0.943 53.930 54.840 0.055 0.000 0.824 140 L CB 0.835 43.047 42.059 0.255 0.000 1.221 140 L HN 0.545 nan 8.230 nan 0.000 0.418 147 E N -1.158 119.080 120.200 0.063 0.000 3.812 147 E HA -0.287 4.063 4.350 -0.000 0.000 0.321 147 E C 1.475 178.203 176.600 0.213 0.000 0.674 147 E CA 1.725 58.190 56.400 0.108 0.000 1.113 147 E CB -1.405 28.348 29.700 0.088 0.000 1.602 147 E HN 0.646 nan 8.360 nan 0.000 0.440 148 I N -2.646 118.064 120.570 0.233 0.000 3.790 148 I HA 0.254 4.424 4.170 -0.000 0.000 0.305 148 I C 0.804 177.094 176.117 0.288 0.000 1.253 148 I CA 0.091 61.651 61.300 0.433 0.000 1.355 148 I CB 0.567 38.901 38.000 0.557 0.000 1.137 148 I HN -0.126 nan 8.210 nan 0.000 0.435 149 I N 2.544 123.164 120.570 0.085 0.000 2.418 149 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 149 I C -0.733 175.343 176.117 -0.067 0.000 1.008 149 I CA -0.445 60.802 61.300 -0.087 0.000 1.104 149 I CB 1.547 39.405 38.000 -0.236 0.000 1.264 149 I HN 0.112 nan 8.210 nan 0.000 0.438 150 N N 5.963 124.627 118.700 -0.060 0.000 2.420 150 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 150 N C 0.802 176.249 175.510 -0.105 0.000 1.033 150 N CA -0.344 52.674 53.050 -0.053 0.000 0.944 150 N CB 1.170 39.651 38.487 -0.010 0.000 1.113 150 N HN 0.507 nan 8.380 nan 0.000 0.502 151 R N 2.264 122.688 120.500 -0.126 0.000 2.115 151 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 151 R C 1.406 177.584 176.300 -0.203 0.000 1.100 151 R CA 0.689 56.684 56.100 -0.175 0.000 0.980 151 R CB -0.177 30.034 30.300 -0.147 0.000 0.875 151 R HN 0.711 nan 8.270 nan 0.000 0.445 152 E N 0.590 120.699 120.200 -0.151 0.000 2.150 152 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 152 E C 2.027 178.537 176.600 -0.150 0.000 0.985 152 E CA 0.501 56.804 56.400 -0.162 0.000 0.814 152 E CB 0.122 29.767 29.700 -0.092 0.000 0.752 152 E HN 0.120 nan 8.360 nan 0.000 0.466 153 R N 0.735 121.173 120.500 -0.103 0.000 2.081 153 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 153 R C 2.166 178.397 176.300 -0.116 0.000 1.131 153 R CA 1.450 57.504 56.100 -0.077 0.000 0.960 153 R CB -0.137 30.146 30.300 -0.027 0.000 0.856 153 R HN 0.218 nan 8.270 nan 0.000 0.436 154 E N 0.412 120.530 120.200 -0.137 0.000 2.152 154 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 154 E C 1.914 178.424 176.600 -0.150 0.000 0.983 154 E CA 1.015 57.348 56.400 -0.111 0.000 0.818 154 E CB 0.125 29.770 29.700 -0.093 0.000 0.758 154 E HN 0.181 nan 8.360 nan 0.000 0.467 155 K N 0.816 121.002 120.400 -0.358 0.000 2.025 155 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 155 K C 2.025 178.482 176.600 -0.239 0.000 1.049 155 K CA 1.293 57.233 56.287 -0.578 0.000 0.933 155 K CB 0.113 32.054 32.500 -0.932 0.000 0.714 155 K HN -0.060 nan 8.250 nan 0.000 0.438 156 K N 0.323 120.616 120.400 -0.179 0.000 2.097 156 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 156 K C 2.107 178.652 176.600 -0.091 0.000 1.049 156 K CA 1.478 57.701 56.287 -0.107 0.000 0.933 156 K CB -0.098 32.347 32.500 -0.091 0.000 0.717 156 K HN 0.189 nan 8.250 nan 0.000 0.442 157 I N 0.446 120.952 120.570 -0.107 0.000 2.286 157 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 157 I C 2.573 178.622 176.117 -0.113 0.000 1.104 157 I CA 0.767 61.996 61.300 -0.118 0.000 1.397 157 I CB -0.140 37.785 38.000 -0.126 0.000 1.072 157 I HN 0.121 nan 8.210 nan 0.000 0.417 158 S N 0.005 115.666 115.700 -0.066 0.000 2.400 158 S HA -0.231 4.239 4.470 -0.000 0.000 0.232 158 S C 2.240 176.850 174.600 0.016 0.000 1.025 158 S CA 1.718 59.903 58.200 -0.025 0.000 0.993 158 S CB -0.483 62.805 63.200 0.146 0.000 0.808 158 S HN 0.547 nan 8.310 nan 0.000 0.478 159 C N 1.013 120.331 119.300 0.031 0.000 2.425 159 C HA 0.046 4.505 4.460 -0.000 0.000 0.277 159 C C 2.363 177.391 174.990 0.063 0.000 1.280 159 C CA 0.660 59.722 59.018 0.074 0.000 1.744 159 C CB -1.471 26.298 27.740 0.048 0.000 1.989 159 C HN 0.684 nan 8.230 nan 0.000 0.491 160 I N 0.445 121.006 120.570 -0.015 0.000 2.439 160 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 160 I C 2.213 178.289 176.117 -0.069 0.000 1.139 160 I CA 1.306 62.580 61.300 -0.044 0.000 1.438 160 I CB -0.437 37.518 38.000 -0.074 0.000 1.085 160 I HN 0.269 nan 8.210 nan 0.000 0.427 161 L N -0.461 120.700 121.223 -0.105 0.000 2.131 161 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 161 L C 2.695 179.515 176.870 -0.082 0.000 1.087 161 L CA 1.115 55.858 54.840 -0.163 0.000 0.767 161 L CB -0.669 41.160 42.059 -0.383 0.000 0.917 161 L HN 0.245 nan 8.230 nan 0.000 0.441 162 Y N 1.272 121.493 120.300 -0.132 0.000 2.163 162 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 162 Y C 2.398 178.256 175.900 -0.070 0.000 1.136 162 Y CA 1.543 59.586 58.100 -0.095 0.000 1.147 162 Y CB -0.315 38.095 38.460 -0.083 0.000 0.987 162 Y HN 0.141 nan 8.280 nan 0.000 0.509 163 N N 0.603 119.160 118.700 -0.238 0.000 2.149 163 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 163 N C 1.246 176.615 175.510 -0.236 0.000 1.019 163 N CA 1.584 54.462 53.050 -0.287 0.000 0.857 163 N CB -0.278 38.151 38.487 -0.096 0.000 0.997 163 N HN 0.235 nan 8.380 nan 0.000 0.426 164 K N 0.537 120.838 120.400 -0.166 0.000 2.387 164 K HA 0.222 4.542 4.320 -0.000 0.000 0.198 164 K C -0.504 176.018 176.600 -0.130 0.000 1.022 164 K CA -0.101 56.109 56.287 -0.127 0.000 1.128 164 K CB -0.265 32.183 32.500 -0.086 0.000 0.853 164 K HN 0.240 nan 8.250 nan 0.000 0.523 165 N N -0.306 118.292 118.700 -0.170 0.000 2.747 165 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 165 N C 0.207 175.667 175.510 -0.084 0.000 1.107 165 N CA 0.506 53.475 53.050 -0.136 0.000 0.707 165 N CB -1.284 37.127 38.487 -0.127 0.000 1.054 165 N HN 0.222 nan 8.380 nan 0.000 0.555 166 I N -1.135 119.392 120.570 -0.071 0.000 3.708 166 I HA 0.241 4.411 4.170 -0.000 0.000 0.302 166 I C 1.032 177.158 176.117 0.015 0.000 1.255 166 I CA 0.323 61.604 61.300 -0.032 0.000 1.362 166 I CB 0.333 38.328 38.000 -0.007 0.000 1.100 166 I HN 0.334 nan 8.210 nan 0.000 0.434 167 A N 0.593 123.396 122.820 -0.029 0.000 2.469 167 A HA 0.607 4.927 4.320 -0.000 0.000 0.299 167 A C -0.503 177.123 177.584 0.071 0.000 1.098 167 A CA -0.710 51.340 52.037 0.021 0.000 0.737 167 A CB 1.417 20.313 19.000 -0.174 0.000 1.312 167 A HN -0.159 nan 8.150 nan 0.000 0.414 168 K N 0.920 121.367 120.400 0.078 0.000 2.149 168 K HA 0.174 4.494 4.320 -0.000 0.000 0.245 168 K C -0.019 176.575 176.600 -0.011 0.000 1.024 168 K CA -0.265 56.055 56.287 0.055 0.000 0.899 168 K CB 0.589 33.098 32.500 0.014 0.000 1.038 168 K HN 0.684 nan 8.250 nan 0.000 0.496 169 K N 1.584 121.893 120.400 -0.151 0.000 2.298 169 K HA 0.159 4.479 4.320 -0.000 0.000 0.280 169 K C -0.398 175.850 176.600 -0.587 0.000 1.032 169 K CA -0.127 55.819 56.287 -0.569 0.000 0.958 169 K CB 0.348 32.371 32.500 -0.796 0.000 0.978 169 K HN 0.399 nan 8.250 nan 0.000 0.472 170 I N 5.780 126.038 120.570 -0.521 0.000 2.328 170 I HA 0.088 4.258 4.170 -0.000 0.000 0.287 170 I C 0.041 175.903 176.117 -0.425 0.000 1.012 170 I CA -0.522 60.501 61.300 -0.462 0.000 1.195 170 I CB 0.887 38.594 38.000 -0.487 0.000 1.350 170 I HN 0.778 nan 8.210 nan 0.000 0.464 171 Y N 4.998 125.192 120.300 -0.178 0.000 2.314 171 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 171 Y C 0.918 176.762 175.900 -0.094 0.000 1.129 171 Y CA 0.704 58.742 58.100 -0.104 0.000 1.201 171 Y CB 0.353 38.799 38.460 -0.024 0.000 0.999 171 Y HN 0.364 nan 8.280 nan 0.000 0.541 172 V N -0.337 119.570 119.914 -0.011 0.000 2.852 172 V HA 0.337 4.457 4.120 -0.000 0.000 0.300 172 V C -1.855 174.136 176.094 -0.172 0.000 1.205 172 V CA -1.210 61.094 62.300 0.007 0.000 0.940 172 V CB 1.249 33.140 31.823 0.112 0.000 1.047 172 V HN -0.062 nan 8.190 nan 0.000 0.429 173 F N 7.548 127.511 119.950 0.020 0.000 2.420 173 F HA 0.806 5.332 4.527 -0.000 0.000 0.342 173 F C -0.021 175.744 175.800 -0.060 0.000 1.113 173 F CA -0.412 57.550 58.000 -0.064 0.000 1.059 173 F CB 1.600 40.590 39.000 -0.018 0.000 1.128 173 F HN 0.589 nan 8.300 nan 0.000 0.475 174 F N -1.284 118.626 119.950 -0.068 0.000 2.620 174 F HA 0.546 5.073 4.527 -0.000 0.000 0.320 174 F C 0.861 176.627 175.800 -0.057 0.000 1.069 174 F CA -1.038 56.811 58.000 -0.251 0.000 0.953 174 F CB 0.224 38.605 39.000 -1.032 0.000 1.322 174 F HN 0.334 nan 8.300 nan 0.000 0.479 175 T N 0.157 114.847 114.554 0.226 0.000 2.620 175 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 175 T C 1.183 176.004 174.700 0.201 0.000 1.044 175 T CA 2.323 64.555 62.100 0.220 0.000 1.161 175 T CB -0.551 68.462 68.868 0.243 0.000 0.862 175 T HN 0.777 nan 8.240 nan 0.000 0.438 176 N N 1.606 120.420 118.700 0.190 0.000 2.251 176 N HA 0.352 5.092 4.740 -0.000 0.000 0.217 176 N C 0.530 175.715 175.510 -0.542 0.000 1.124 176 N CA 0.268 53.369 53.050 0.085 0.000 0.843 176 N CB 0.803 39.456 38.487 0.277 0.000 1.024 176 N HN 0.580 nan 8.380 nan 0.000 0.501 177 G N 0.223 108.144 108.800 -1.466 0.000 2.325 177 G HA2 0.456 4.416 3.960 -0.000 0.000 0.295 177 G HA3 0.456 4.416 3.960 -0.000 0.000 0.295 177 G C -1.838 171.805 174.900 -2.095 0.000 1.274 177 G CA -0.874 42.970 45.100 -2.093 0.000 0.857 177 G HN 0.492 nan 8.290 nan 0.000 0.499 178 R N -1.565 118.224 120.500 -1.185 0.000 2.781 178 R HA 0.791 5.131 4.340 -0.000 0.000 0.269 178 R C -1.462 174.745 176.300 -0.155 0.000 1.025 178 R CA -1.048 54.650 56.100 -0.670 0.000 0.914 178 R CB 1.402 31.378 30.300 -0.539 0.000 1.236 178 R HN 0.489 nan 8.270 nan 0.000 0.465 179 I N 1.415 121.974 120.570 -0.018 0.000 2.389 179 I HA 0.349 4.519 4.170 -0.000 0.000 0.288 179 I C -0.156 176.054 176.117 0.156 0.000 0.999 179 I CA -0.620 60.763 61.300 0.138 0.000 1.129 179 I CB 1.712 39.827 38.000 0.191 0.000 1.288 179 I HN 0.736 nan 8.210 nan 0.000 0.444 180 E N 4.911 125.229 120.200 0.197 0.000 2.355 180 E HA 0.479 4.829 4.350 -0.000 0.000 0.261 180 E C -0.961 175.820 176.600 0.303 0.000 0.943 180 E CA -1.015 55.454 56.400 0.115 0.000 0.806 180 E CB 1.408 31.100 29.700 -0.013 0.000 1.286 180 E HN 0.418 nan 8.360 nan 0.000 0.424 181 E N 0.492 120.739 120.200 0.078 0.000 2.452 181 E HA 0.012 4.362 4.350 -0.000 0.000 0.261 181 E C -0.784 175.935 176.600 0.199 0.000 0.987 181 E CA 0.065 56.577 56.400 0.187 0.000 0.926 181 E CB 0.420 30.126 29.700 0.009 0.000 0.934 181 E HN 0.279 nan 8.360 nan 0.000 0.452 182 F N 3.431 123.429 119.950 0.080 0.000 2.418 182 F HA 0.138 4.665 4.527 -0.000 0.000 0.341 182 F C 0.212 176.036 175.800 0.040 0.000 1.120 182 F CA -0.502 57.530 58.000 0.054 0.000 1.232 182 F CB 0.512 39.520 39.000 0.014 0.000 1.175 182 F HN 0.299 nan 8.300 nan 0.000 0.569 183 M N 4.465 123.455 119.600 -1.017 0.000 2.044 183 M HA 0.416 4.896 4.480 -0.000 0.000 0.333 183 M C -1.459 174.427 176.300 -0.691 0.000 1.004 183 M CA -0.623 54.307 55.300 -0.617 0.000 0.954 183 M CB 0.989 33.355 32.600 -0.390 0.000 1.468 183 M HN 0.327 nan 8.290 nan 0.000 0.414 184 D N 3.395 123.656 120.400 -0.232 0.000 2.343 184 D HA 0.607 5.247 4.640 -0.000 0.000 0.255 184 D C 0.442 176.725 176.300 -0.028 0.000 1.187 184 D CA 0.897 54.882 54.000 -0.025 0.000 0.875 184 D CB 1.652 42.508 40.800 0.093 0.000 1.136 184 D HN 0.993 nan 8.370 nan 0.000 0.469 185 G N 1.387 110.202 108.800 0.025 0.000 2.357 185 G HA2 0.211 4.171 3.960 -0.000 0.000 0.289 185 G HA3 0.211 4.171 3.960 -0.000 0.000 0.289 185 G C -1.923 173.051 174.900 0.124 0.000 1.302 185 G CA -0.963 44.175 45.100 0.062 0.000 0.936 185 G HN 0.426 nan 8.290 nan 0.000 0.513 186 Y N -1.388 118.908 120.300 -0.007 0.000 2.545 186 Y HA 0.880 5.430 4.550 -0.000 0.000 0.348 186 Y C 0.108 175.993 175.900 -0.026 0.000 1.002 186 Y CA -1.161 56.935 58.100 -0.007 0.000 1.039 186 Y CB 1.396 39.860 38.460 0.006 0.000 1.271 186 Y HN 1.493 nan 8.280 nan 0.000 0.467 187 A N 4.381 127.198 122.820 -0.004 0.000 2.363 187 A HA 0.533 4.853 4.320 -0.000 0.000 0.270 187 A C -0.173 177.360 177.584 -0.086 0.000 1.121 187 A CA -0.701 51.282 52.037 -0.088 0.000 0.800 187 A CB -0.051 18.949 19.000 -0.001 0.000 1.052 187 A HN 0.858 nan 8.150 nan 0.000 0.493 188 L N 1.305 122.399 121.223 -0.215 0.000 2.476 188 L HA 0.308 4.648 4.340 -0.000 0.000 0.255 188 L C 1.124 177.929 176.870 -0.108 0.000 1.218 188 L CA -0.095 54.608 54.840 -0.228 0.000 0.819 188 L CB 0.745 42.568 42.059 -0.394 0.000 1.119 188 L HN 0.758 nan 8.230 nan 0.000 0.485 189 S N -1.229 114.403 115.700 -0.114 0.000 2.766 189 S HA 0.323 4.793 4.470 -0.000 0.000 0.307 189 S C 0.797 175.329 174.600 -0.114 0.000 1.121 189 S CA -0.826 57.331 58.200 -0.072 0.000 0.980 189 S CB 1.470 64.653 63.200 -0.028 0.000 1.159 189 S HN 0.677 nan 8.310 nan 0.000 0.546 190 R N 0.786 121.229 120.500 -0.095 0.000 2.189 190 R HA 0.040 4.380 4.340 -0.000 0.000 0.218 190 R C 1.028 177.232 176.300 -0.161 0.000 1.074 190 R CA 1.402 57.422 56.100 -0.133 0.000 0.991 190 R CB -0.410 29.836 30.300 -0.090 0.000 0.883 190 R HN 0.640 nan 8.270 nan 0.000 0.457 191 E N 1.224 121.365 120.200 -0.099 0.000 2.230 191 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 191 E C 0.810 177.377 176.600 -0.054 0.000 0.987 191 E CA 0.570 56.927 56.400 -0.072 0.000 0.841 191 E CB -0.152 29.535 29.700 -0.021 0.000 0.783 191 E HN 0.379 nan 8.360 nan 0.000 0.481 192 D N 2.057 122.413 120.400 -0.074 0.000 2.117 192 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 192 D C 2.321 178.590 176.300 -0.052 0.000 0.982 192 D CA 1.365 55.319 54.000 -0.076 0.000 0.828 192 D CB -0.204 40.368 40.800 -0.381 0.000 0.967 192 D HN 0.421 nan 8.370 nan 0.000 0.464 193 I N -0.995 119.472 120.570 -0.173 0.000 2.614 193 I HA -0.085 4.085 4.170 -0.000 0.000 0.258 193 I C 2.123 178.054 176.117 -0.310 0.000 1.189 193 I CA 1.057 62.283 61.300 -0.123 0.000 1.462 193 I CB -0.178 37.745 38.000 -0.127 0.000 1.092 193 I HN -0.187 nan 8.210 nan 0.000 0.442 194 K N 1.547 121.644 120.400 -0.505 0.000 2.288 194 K HA -0.092 4.228 4.320 -0.000 0.000 0.201 194 K C 0.761 177.365 176.600 0.006 0.000 1.048 194 K CA 0.176 56.200 56.287 -0.439 0.000 0.956 194 K CB -0.037 32.268 32.500 -0.325 0.000 0.746 194 K HN 0.291 nan 8.250 nan 0.000 0.461 195 N N 1.488 120.246 118.700 0.098 0.000 2.452 195 N HA 0.016 4.756 4.740 -0.000 0.000 0.266 195 N C -2.145 173.489 175.510 0.205 0.000 1.209 195 N CA -1.777 51.376 53.050 0.171 0.000 0.929 195 N CB 1.374 40.037 38.487 0.293 0.000 1.063 195 N HN -0.083 nan 8.380 nan 0.000 0.472 196 P HA -0.237 nan 4.420 nan 0.000 0.217 196 P C 1.115 178.522 177.300 0.178 0.000 1.148 196 P CA 1.354 64.569 63.100 0.192 0.000 0.834 196 P CB 0.263 31.941 31.700 -0.037 0.000 0.783 197 K N -0.992 119.425 120.400 0.028 0.000 2.026 197 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 197 K C 1.890 178.391 176.600 -0.166 0.000 1.048 197 K CA 1.529 57.731 56.287 -0.143 0.000 0.929 197 K CB -0.543 31.754 32.500 -0.339 0.000 0.713 197 K HN 0.113 nan 8.250 nan 0.000 0.439 198 F N 1.467 121.453 119.950 0.060 0.000 2.293 198 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 198 F C 2.615 178.481 175.800 0.109 0.000 1.089 198 F CA 0.977 59.014 58.000 0.062 0.000 1.377 198 F CB -0.045 38.996 39.000 0.069 0.000 1.051 198 F HN 0.219 nan 8.300 nan 0.000 0.511 199 Q N 1.094 121.119 119.800 0.376 0.000 2.291 199 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 199 Q C 1.960 178.040 176.000 0.134 0.000 0.970 199 Q CA 1.366 57.441 55.803 0.453 0.000 0.876 199 Q CB -0.435 28.715 28.738 0.687 0.000 0.935 199 Q HN 0.381 nan 8.270 nan 0.000 0.455 200 K N 0.898 121.259 120.400 -0.064 0.000 2.057 200 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 200 K C 1.906 178.354 176.600 -0.253 0.000 1.050 200 K CA 1.138 57.160 56.287 -0.441 0.000 0.935 200 K CB 0.028 32.122 32.500 -0.676 0.000 0.715 200 K HN 0.331 nan 8.250 nan 0.000 0.439 201 L N 0.453 121.617 121.223 -0.100 0.000 2.270 201 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 201 L C 2.199 179.047 176.870 -0.036 0.000 1.104 201 L CA 0.305 55.105 54.840 -0.066 0.000 0.804 201 L CB -0.092 41.966 42.059 -0.002 0.000 0.937 201 L HN 0.154 nan 8.230 nan 0.000 0.450 202 I N 0.055 120.665 120.570 0.066 0.000 2.202 202 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 202 I C 2.798 178.960 176.117 0.075 0.000 1.091 202 I CA 1.164 62.574 61.300 0.184 0.000 1.368 202 I CB -0.363 37.841 38.000 0.340 0.000 1.058 202 I HN 0.165 nan 8.210 nan 0.000 0.410 203 A N 0.753 123.415 122.820 -0.263 0.000 1.908 203 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 203 A C 2.314 179.791 177.584 -0.178 0.000 1.181 203 A CA 1.721 53.447 52.037 -0.518 0.000 0.627 203 A CB -0.467 17.939 19.000 -0.989 0.000 0.818 203 A HN 0.317 nan 8.150 nan 0.000 0.445 204 K N -0.612 119.690 120.400 -0.163 0.000 2.097 204 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 204 K C 1.997 178.518 176.600 -0.131 0.000 1.050 204 K CA 1.243 57.444 56.287 -0.143 0.000 0.938 204 K CB -0.233 32.192 32.500 -0.125 0.000 0.718 204 K HN 0.567 nan 8.250 nan 0.000 0.442 205 N N 0.875 119.499 118.700 -0.127 0.000 2.270 205 N HA -0.126 4.614 4.740 -0.000 0.000 0.181 205 N C 1.815 177.334 175.510 0.015 0.000 1.016 205 N CA 0.446 53.389 53.050 -0.178 0.000 0.870 205 N CB 0.144 38.330 38.487 -0.503 0.000 0.979 205 N HN 0.022 nan 8.380 nan 0.000 0.431 206 L N 1.964 123.287 121.223 0.167 0.000 2.093 206 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 206 L C 2.250 179.030 176.870 -0.150 0.000 1.085 206 L CA 1.639 56.550 54.840 0.120 0.000 0.755 206 L CB -0.614 41.490 42.059 0.076 0.000 0.904 206 L HN -0.029 nan 8.230 nan 0.000 0.435 207 K N -0.548 119.742 120.400 -0.184 0.000 2.097 207 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 207 K C 2.011 178.518 176.600 -0.156 0.000 1.050 207 K CA 1.481 57.546 56.287 -0.370 0.000 0.938 207 K CB -0.402 31.754 32.500 -0.575 0.000 0.718 207 K HN 0.357 nan 8.250 nan 0.000 0.442 208 L N 0.269 121.430 121.223 -0.103 0.000 2.042 208 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 208 L C 2.281 179.160 176.870 0.015 0.000 1.076 208 L CA 0.908 55.717 54.840 -0.052 0.000 0.749 208 L CB -0.555 41.466 42.059 -0.064 0.000 0.893 208 L HN 0.243 nan 8.230 nan 0.000 0.432 209 L N -0.823 120.445 121.223 0.076 0.000 2.027 209 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 209 L C 2.431 179.446 176.870 0.242 0.000 1.074 209 L CA 1.866 56.812 54.840 0.177 0.000 0.745 209 L CB -0.703 41.543 42.059 0.312 0.000 0.898 209 L HN 0.240 nan 8.230 nan 0.000 0.433 210 H N -1.341 117.789 119.070 0.099 0.000 2.457 210 H HA -0.093 4.463 4.556 -0.000 0.000 0.294 210 H C 0.868 176.214 175.328 0.030 0.000 1.064 210 H CA 0.734 56.832 56.048 0.083 0.000 1.330 210 H CB 0.237 30.091 29.762 0.154 0.000 1.395 210 H HN 0.408 nan 8.280 nan 0.000 0.541 211 D N 0.596 121.066 120.400 0.117 0.000 2.349 211 D HA 0.046 4.686 4.640 -0.000 0.000 0.224 211 D C 0.425 176.740 176.300 0.026 0.000 1.029 211 D CA 0.181 54.205 54.000 0.040 0.000 0.879 211 D CB 0.088 40.880 40.800 -0.012 0.000 0.906 211 D HN 0.317 nan 8.370 nan 0.000 0.528 212 I N 2.400 122.992 120.570 0.036 0.000 2.662 212 I HA -0.093 4.076 4.170 -0.000 0.000 0.285 212 I C 0.886 177.005 176.117 0.005 0.000 1.161 212 I CA 0.007 61.312 61.300 0.008 0.000 1.415 212 I CB 0.303 38.303 38.000 0.000 0.000 1.385 212 I HN -0.135 nan 8.210 nan 0.000 0.552 213 K N 7.330 127.729 120.400 -0.000 0.000 2.298 213 K HA 0.526 4.846 4.320 -0.000 0.000 0.280 213 K C -1.155 175.447 176.600 0.004 0.000 1.032 213 K CA -0.400 55.894 56.287 0.011 0.000 0.958 213 K CB 0.873 33.379 32.500 0.010 0.000 0.978 213 K HN 0.493 nan 8.250 nan 0.000 0.472 214 L N 3.527 124.769 121.223 0.032 0.000 2.342 214 L HA 0.257 4.596 4.340 -0.000 0.000 0.276 214 L C -0.445 176.494 176.870 0.115 0.000 0.997 214 L CA -1.072 53.787 54.840 0.031 0.000 0.838 214 L CB 1.209 43.235 42.059 -0.054 0.000 1.224 214 L HN 0.841 nan 8.230 nan 0.000 0.416 215 N N 1.273 120.019 118.700 0.075 0.000 2.399 215 N HA 0.039 4.779 4.740 -0.000 0.000 0.250 215 N C 0.632 176.220 175.510 0.131 0.000 1.272 215 N CA -0.451 52.650 53.050 0.084 0.000 0.928 215 N CB 0.784 39.299 38.487 0.047 0.000 1.158 215 N HN 0.395 nan 8.380 nan 0.000 0.463 216 E N 0.290 120.549 120.200 0.098 0.000 2.110 216 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 216 E C 0.832 177.497 176.600 0.108 0.000 0.988 216 E CA 1.145 57.604 56.400 0.098 0.000 0.804 216 E CB -0.434 29.294 29.700 0.045 0.000 0.745 216 E HN 0.616 nan 8.360 nan 0.000 0.458 217 N N 0.948 119.695 118.700 0.077 0.000 2.142 217 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 217 N C 1.953 177.506 175.510 0.072 0.000 1.023 217 N CA 0.491 53.579 53.050 0.064 0.000 0.852 217 N CB -0.493 38.019 38.487 0.041 0.000 0.998 217 N HN 0.105 nan 8.380 nan 0.000 0.424 218 L N 0.075 121.337 121.223 0.066 0.000 2.017 218 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 218 L C 2.057 178.960 176.870 0.056 0.000 1.073 218 L CA 1.499 56.361 54.840 0.036 0.000 0.745 218 L CB -0.894 41.164 42.059 -0.002 0.000 0.894 218 L HN 0.139 nan 8.230 nan 0.000 0.432 219 Y N -0.013 120.299 120.300 0.020 0.000 2.128 219 Y HA -0.362 4.188 4.550 -0.000 0.000 0.284 219 Y C 2.696 178.648 175.900 0.087 0.000 1.154 219 Y CA 2.135 60.262 58.100 0.045 0.000 1.149 219 Y CB 0.019 38.507 38.460 0.046 0.000 0.976 219 Y HN 0.175 nan 8.280 nan 0.000 0.505 220 K N 0.595 121.161 120.400 0.275 0.000 2.211 220 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 220 K C 1.815 178.495 176.600 0.133 0.000 1.050 220 K CA 1.550 57.946 56.287 0.181 0.000 0.945 220 K CB -0.130 32.435 32.500 0.108 0.000 0.732 220 K HN 0.335 nan 8.250 nan 0.000 0.451 221 E N -0.303 119.960 120.200 0.105 0.000 2.150 221 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 221 E C 1.598 178.244 176.600 0.076 0.000 0.985 221 E CA 0.906 57.346 56.400 0.066 0.000 0.814 221 E CB 0.034 29.756 29.700 0.037 0.000 0.752 221 E HN 0.258 nan 8.360 nan 0.000 0.466 222 L N 0.328 121.615 121.223 0.107 0.000 2.156 222 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 222 L C 2.400 179.470 176.870 0.332 0.000 1.095 222 L CA 0.860 55.803 54.840 0.172 0.000 0.770 222 L CB -0.199 41.896 42.059 0.059 0.000 0.914 222 L HN 0.144 nan 8.230 nan 0.000 0.439 223 Q N -0.634 119.348 119.800 0.304 0.000 2.083 223 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 223 Q C 2.386 178.400 176.000 0.024 0.000 0.969 223 Q CA 1.187 57.070 55.803 0.132 0.000 0.838 223 Q CB -0.063 28.754 28.738 0.132 0.000 0.900 223 Q HN 0.332 nan 8.270 nan 0.000 0.436 224 V N 0.311 120.257 119.914 0.053 0.000 2.407 224 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 224 V C 2.301 178.404 176.094 0.016 0.000 1.055 224 V CA 2.101 64.414 62.300 0.023 0.000 1.049 224 V CB -0.621 31.220 31.823 0.029 0.000 0.662 224 V HN 0.426 nan 8.190 nan 0.000 0.455 225 T N -1.557 113.019 114.554 0.038 0.000 2.915 225 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 225 T C 1.707 176.421 174.700 0.022 0.000 1.071 225 T CA 1.767 63.884 62.100 0.028 0.000 1.132 225 T CB -0.022 68.865 68.868 0.031 0.000 0.878 225 T HN 0.567 nan 8.240 nan 0.000 0.479 226 Q N -0.504 119.304 119.800 0.013 0.000 2.189 226 Q HA 0.231 4.570 4.340 -0.000 0.000 0.223 226 Q C -0.271 175.671 176.000 -0.096 0.000 0.828 226 Q CA -0.057 55.727 55.803 -0.033 0.000 0.967 226 Q CB 0.358 29.081 28.738 -0.024 0.000 1.139 226 Q HN 0.327 nan 8.270 nan 0.000 0.497 227 K N -0.070 120.276 120.400 -0.090 0.000 3.162 227 K HA -0.118 4.202 4.320 -0.000 0.000 0.268 227 K C -1.217 175.293 176.600 -0.150 0.000 1.062 227 K CA 0.391 56.624 56.287 -0.091 0.000 0.769 227 K CB -1.973 30.494 32.500 -0.056 0.000 1.274 227 K HN 0.041 nan 8.250 nan 0.000 0.478 228 V N 1.782 121.541 119.914 -0.258 0.000 2.364 228 V HA 0.248 4.368 4.120 -0.000 0.000 0.272 228 V C -1.166 174.818 176.094 -0.184 0.000 1.036 228 V CA -1.337 60.759 62.300 -0.339 0.000 0.880 228 V CB 0.917 32.238 31.823 -0.837 0.000 0.991 228 V HN 0.151 nan 8.190 nan 0.000 0.460 229 P HA 0.614 nan 4.420 nan 0.000 0.278 229 P C 0.284 177.564 177.300 -0.034 0.000 1.266 229 P CA 0.472 63.538 63.100 -0.057 0.000 0.807 229 P CB 1.546 33.217 31.700 -0.048 0.000 1.094 230 G N -0.894 107.893 108.800 -0.022 0.000 2.447 230 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.220 230 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.220 230 G C -1.094 173.791 174.900 -0.026 0.000 1.261 230 G CA -0.201 44.888 45.100 -0.018 0.000 1.000 230 G HN 0.753 nan 8.290 nan 0.000 0.515 231 T N 0.491 115.019 114.554 -0.043 0.000 2.792 231 T HA 0.554 4.904 4.350 -0.000 0.000 0.280 231 T C 0.776 175.378 174.700 -0.162 0.000 0.990 231 T CA 0.381 62.426 62.100 -0.092 0.000 0.960 231 T CB 0.419 69.243 68.868 -0.073 0.000 0.939 231 T HN 1.261 nan 8.240 nan 0.000 0.439 232 R N 1.803 122.078 120.500 -0.375 0.000 3.184 232 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 232 R C -2.503 173.638 176.300 -0.265 0.000 0.907 232 R CA 0.226 55.862 56.100 -0.774 0.000 0.618 232 R CB -2.196 27.780 30.300 -0.539 0.000 1.016 232 R HN 0.571 nan 8.270 nan 0.000 0.469 233 P HA 0.139 nan 4.420 nan 0.000 0.279 233 P C -0.069 177.481 177.300 0.417 0.000 1.252 233 P CA -0.428 62.796 63.100 0.208 0.000 0.811 233 P CB 1.094 32.886 31.700 0.153 0.000 1.035 234 S N 1.015 116.913 115.700 0.331 0.000 2.531 234 S HA 0.188 4.658 4.470 -0.000 0.000 0.279 234 S C 0.693 175.515 174.600 0.371 0.000 1.305 234 S CA -0.410 57.979 58.200 0.315 0.000 1.058 234 S CB -0.757 62.591 63.200 0.245 0.000 0.899 234 S HN 0.321 nan 8.310 nan 0.000 0.493 235 F N 3.520 123.438 119.950 -0.054 0.000 2.743 235 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 235 F C 1.787 177.448 175.800 -0.232 0.000 1.131 235 F CA -0.343 57.603 58.000 -0.091 0.000 1.426 235 F CB 0.053 38.999 39.000 -0.090 0.000 1.116 235 F HN 0.536 nan 8.300 nan 0.000 0.583 236 L N 0.347 121.420 121.223 -0.251 0.000 1.978 236 L HA -0.234 4.106 4.340 -0.000 0.000 0.218 236 L C 1.805 178.285 176.870 -0.650 0.000 1.075 236 L CA 2.257 56.676 54.840 -0.701 0.000 0.767 236 L CB -1.003 40.352 42.059 -1.173 0.000 0.890 236 L HN 0.196 nan 8.230 nan 0.000 0.434 237 W N -0.702 120.549 121.300 -0.081 0.000 2.388 237 W HA -0.090 4.570 4.660 -0.000 0.000 0.294 237 W C 2.537 179.103 176.519 0.077 0.000 1.212 237 W CA 0.909 58.236 57.345 -0.029 0.000 1.271 237 W CB -0.818 28.691 29.460 0.082 0.000 1.126 237 W HN 0.298 nan 8.180 nan 0.000 0.535 238 N N -0.132 118.696 118.700 0.214 0.000 2.205 238 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 238 N C 1.503 177.023 175.510 0.018 0.000 1.015 238 N CA 2.253 55.380 53.050 0.128 0.000 0.862 238 N CB -0.262 38.213 38.487 -0.020 0.000 0.986 238 N HN -0.066 nan 8.380 nan 0.000 0.429 239 T N 0.046 114.511 114.554 -0.148 0.000 2.809 239 T HA 0.058 4.408 4.350 -0.000 0.000 0.260 239 T C 1.904 176.254 174.700 -0.584 0.000 1.039 239 T CA 0.789 62.658 62.100 -0.384 0.000 1.141 239 T CB -0.148 68.460 68.868 -0.433 0.000 0.869 239 T HN 0.179 nan 8.240 nan 0.000 0.437 240 I N -0.479 119.844 120.570 -0.411 0.000 2.208 240 I HA -0.185 3.984 4.170 -0.000 0.000 0.245 240 I C 2.169 178.178 176.117 -0.181 0.000 1.097 240 I CA 1.515 62.613 61.300 -0.337 0.000 1.363 240 I CB -0.288 37.490 38.000 -0.369 0.000 1.051 240 I HN 0.337 nan 8.210 nan 0.000 0.413 241 W N 0.997 122.294 121.300 -0.004 0.000 2.467 241 W HA -0.169 4.491 4.660 -0.000 0.000 0.275 241 W C 2.627 179.255 176.519 0.183 0.000 1.239 241 W CA 0.483 57.880 57.345 0.087 0.000 1.266 241 W CB -0.067 29.474 29.460 0.136 0.000 1.112 241 W HN -0.014 nan 8.180 nan 0.000 0.576 242 K N -0.068 120.499 120.400 0.278 0.000 2.002 242 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 242 K C 1.726 178.507 176.600 0.302 0.000 1.048 242 K CA 1.709 58.129 56.287 0.222 0.000 0.930 242 K CB -1.056 31.469 32.500 0.042 0.000 0.714 242 K HN 0.042 nan 8.250 nan 0.000 0.438 243 Y N 0.042 120.450 120.300 0.179 0.000 2.114 243 Y HA -0.187 4.363 4.550 -0.000 0.000 0.282 243 Y C 2.263 178.272 175.900 0.182 0.000 1.165 243 Y CA 1.165 59.355 58.100 0.150 0.000 1.148 243 Y CB -1.325 37.202 38.460 0.112 0.000 0.972 243 Y HN 0.151 nan 8.280 nan 0.000 0.504 244 F N 0.391 120.467 119.950 0.211 0.000 2.095 244 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 244 F C 2.535 178.437 175.800 0.171 0.000 1.104 244 F CA 2.096 60.164 58.000 0.113 0.000 1.232 244 F CB -0.440 38.510 39.000 -0.084 0.000 0.987 244 F HN 0.118 nan 8.300 nan 0.000 0.475 245 H N -0.033 119.275 119.070 0.396 0.000 2.470 245 H HA 0.039 4.595 4.556 -0.000 0.000 0.289 245 H C 2.456 177.842 175.328 0.096 0.000 1.033 245 H CA 1.342 57.515 56.048 0.209 0.000 1.331 245 H CB -0.422 29.516 29.762 0.294 0.000 1.414 245 H HN 0.351 nan 8.280 nan 0.000 0.545 246 L N 0.261 121.628 121.223 0.239 0.000 2.046 246 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 246 L C 2.438 179.355 176.870 0.079 0.000 1.077 246 L CA 0.880 55.813 54.840 0.155 0.000 0.747 246 L CB -0.330 41.838 42.059 0.181 0.000 0.896 246 L HN 0.165 nan 8.230 nan 0.000 0.432 247 L N -0.613 120.652 121.223 0.070 0.000 2.109 247 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 247 L C 2.365 179.125 176.870 -0.183 0.000 1.086 247 L CA 1.134 55.984 54.840 0.016 0.000 0.760 247 L CB -0.569 41.587 42.059 0.161 0.000 0.910 247 L HN 0.410 nan 8.230 nan 0.000 0.437 248 N N -0.175 118.367 118.700 -0.263 0.000 2.270 248 N HA -0.174 4.566 4.740 -0.000 0.000 0.181 248 N C 1.601 176.927 175.510 -0.307 0.000 1.016 248 N CA 0.759 53.482 53.050 -0.545 0.000 0.870 248 N CB 0.320 38.543 38.487 -0.439 0.000 0.979 248 N HN 0.284 nan 8.380 nan 0.000 0.431 249 E N 0.959 121.083 120.200 -0.125 0.000 2.158 249 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 249 E C 1.678 178.230 176.600 -0.080 0.000 0.982 249 E CA 0.430 56.789 56.400 -0.068 0.000 0.823 249 E CB -0.071 29.629 29.700 -0.001 0.000 0.766 249 E HN 0.383 nan 8.360 nan 0.000 0.468 250 E N 0.885 121.035 120.200 -0.083 0.000 2.058 250 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 250 E C 2.152 178.670 176.600 -0.138 0.000 0.997 250 E CA 0.911 57.265 56.400 -0.076 0.000 0.801 250 E CB -0.219 29.444 29.700 -0.061 0.000 0.746 250 E HN 0.204 nan 8.360 nan 0.000 0.450 251 R N 1.299 121.647 120.500 -0.253 0.000 2.105 251 R HA -0.126 4.213 4.340 -0.000 0.000 0.239 251 R C 2.027 178.206 176.300 -0.202 0.000 1.135 251 R CA 1.658 57.579 56.100 -0.298 0.000 0.967 251 R CB -0.014 29.922 30.300 -0.607 0.000 0.861 251 R HN -0.029 nan 8.270 nan 0.000 0.442 252 K N 0.397 120.692 120.400 -0.176 0.000 2.288 252 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 252 K C 0.197 176.758 176.600 -0.065 0.000 1.048 252 K CA 0.645 56.867 56.287 -0.108 0.000 0.956 252 K CB 0.129 32.578 32.500 -0.084 0.000 0.746 252 K HN 0.149 nan 8.250 nan 0.000 0.461 253 K N 1.403 121.767 120.400 -0.060 0.000 2.414 253 K HA 0.039 4.359 4.320 -0.000 0.000 0.272 253 K C 0.133 176.717 176.600 -0.027 0.000 0.993 253 K CA -0.156 56.111 56.287 -0.034 0.000 0.964 253 K CB 0.664 33.149 32.500 -0.026 0.000 0.925 253 K HN 0.055 nan 8.250 nan 0.000 0.487 254 I N 1.761 122.323 120.570 -0.012 0.000 2.588 254 I HA -0.029 4.141 4.170 -0.000 0.000 0.283 254 I C -0.618 175.501 176.117 0.002 0.000 1.119 254 I CA 0.066 61.365 61.300 -0.002 0.000 1.419 254 I CB 0.408 38.411 38.000 0.004 0.000 1.394 254 I HN 0.564 nan 8.210 nan 0.000 0.562 255 C N 6.280 125.587 119.300 0.011 0.000 2.698 255 C HA 0.530 4.990 4.460 -0.000 0.000 0.309 255 C C 0.166 175.179 174.990 0.038 0.000 1.186 255 C CA -0.538 58.487 59.018 0.012 0.000 1.474 255 C CB 1.373 29.108 27.740 -0.007 0.000 2.020 255 C HN 0.913 nan 8.230 nan 0.000 0.474 256 S N 2.859 118.584 115.700 0.041 0.000 2.576 256 S HA 0.165 4.635 4.470 -0.000 0.000 0.272 256 S C 0.736 175.403 174.600 0.112 0.000 1.352 256 S CA -0.177 58.069 58.200 0.078 0.000 1.021 256 S CB 0.170 63.408 63.200 0.063 0.000 0.887 256 S HN 0.759 nan 8.310 nan 0.000 0.542 257 F N 1.739 121.687 119.950 -0.004 0.000 2.250 257 F HA -0.089 4.438 4.527 -0.000 0.000 0.301 257 F C 1.498 177.297 175.800 -0.002 0.000 1.077 257 F CA 1.839 59.838 58.000 -0.002 0.000 1.348 257 F CB -0.089 38.910 39.000 -0.001 0.000 1.040 257 F HN 0.792 nan 8.300 nan 0.000 0.509 258 D N -0.760 119.644 120.400 0.008 0.000 2.571 258 D HA 0.242 4.882 4.640 -0.000 0.000 0.239 258 D C 0.332 176.603 176.300 -0.049 0.000 1.267 258 D CA 0.026 53.986 54.000 -0.067 0.000 0.823 258 D CB -0.815 39.995 40.800 0.015 0.000 1.056 258 D HN 0.144 nan 8.370 nan 0.000 0.494 259 A N 0.968 123.761 122.820 -0.045 0.000 2.407 259 A HA 0.176 4.496 4.320 -0.000 0.000 0.248 259 A C 1.292 178.836 177.584 -0.066 0.000 1.082 259 A CA -0.349 51.663 52.037 -0.042 0.000 0.785 259 A CB 0.573 19.555 19.000 -0.030 0.000 1.020 259 A HN 0.084 nan 8.150 nan 0.000 0.489 260 K N 1.571 121.933 120.400 -0.064 0.000 2.160 260 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 260 K C 1.690 178.241 176.600 -0.081 0.000 1.047 260 K CA 1.702 57.945 56.287 -0.074 0.000 0.930 260 K CB -0.206 32.239 32.500 -0.091 0.000 0.720 260 K HN 0.759 nan 8.250 nan 0.000 0.450 261 A N 0.736 123.503 122.820 -0.089 0.000 2.235 261 A HA -0.026 4.294 4.320 -0.000 0.000 0.208 261 A C 1.187 178.728 177.584 -0.071 0.000 1.172 261 A CA 0.601 52.586 52.037 -0.086 0.000 0.786 261 A CB -0.450 18.494 19.000 -0.093 0.000 0.804 261 A HN 0.324 nan 8.150 nan 0.000 0.479 262 N N -0.414 118.240 118.700 -0.076 0.000 2.381 262 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 262 N C 1.428 176.907 175.510 -0.052 0.000 1.025 262 N CA 0.783 53.785 53.050 -0.079 0.000 0.888 262 N CB -0.144 38.262 38.487 -0.134 0.000 0.965 262 N HN 0.473 nan 8.380 nan 0.000 0.438 263 I N 0.937 121.486 120.570 -0.034 0.000 2.353 263 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 263 I C 1.462 177.609 176.117 0.050 0.000 1.119 263 I CA 1.050 62.353 61.300 0.005 0.000 1.417 263 I CB -0.205 37.802 38.000 0.012 0.000 1.078 263 I HN 0.142 nan 8.210 nan 0.000 0.421 264 L N 0.040 121.289 121.223 0.043 0.000 2.083 264 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 264 L C 2.323 179.238 176.870 0.074 0.000 1.083 264 L CA 1.388 56.290 54.840 0.103 0.000 0.752 264 L CB -0.921 41.118 42.059 -0.033 0.000 0.899 264 L HN 0.179 nan 8.230 nan 0.000 0.433 265 K N -0.011 120.385 120.400 -0.008 0.000 2.283 265 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 265 K C 1.954 178.586 176.600 0.054 0.000 1.048 265 K CA 0.884 57.167 56.287 -0.007 0.000 0.948 265 K CB -0.166 32.316 32.500 -0.030 0.000 0.742 265 K HN 0.115 nan 8.250 nan 0.000 0.458 266 L N 1.455 122.717 121.223 0.065 0.000 2.240 266 L HA 0.091 4.431 4.340 -0.000 0.000 0.211 266 L C 0.543 177.475 176.870 0.104 0.000 1.106 266 L CA 0.904 55.785 54.840 0.068 0.000 0.793 266 L CB 0.037 42.122 42.059 0.043 0.000 0.927 266 L HN 0.015 nan 8.230 nan 0.000 0.446 267 I N 1.144 121.811 120.570 0.161 0.000 2.533 267 I HA -0.003 4.167 4.170 -0.000 0.000 0.284 267 I C 0.086 176.361 176.117 0.262 0.000 1.109 267 I CA -0.058 61.350 61.300 0.180 0.000 1.412 267 I CB -0.000 38.119 38.000 0.199 0.000 1.396 267 I HN 0.052 nan 8.210 nan 0.000 0.543 268 D N 6.205 126.700 120.400 0.159 0.000 2.342 268 D HA 0.011 4.651 4.640 -0.000 0.000 0.260 268 D C 0.507 176.931 176.300 0.206 0.000 1.278 268 D CA 0.217 54.325 54.000 0.179 0.000 0.910 268 D CB 0.480 41.344 40.800 0.107 0.000 1.079 268 D HN 0.330 nan 8.370 nan 0.000 0.496 269 F N 2.008 122.019 119.950 0.102 0.000 2.512 269 F HA -0.030 4.497 4.527 -0.000 0.000 0.296 269 F C 1.851 177.814 175.800 0.271 0.000 1.110 269 F CA 0.245 58.350 58.000 0.176 0.000 1.446 269 F CB 0.269 39.314 39.000 0.074 0.000 1.092 269 F HN 0.314 nan 8.300 nan 0.000 0.554 270 D N -0.208 120.387 120.400 0.325 0.000 2.097 270 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 270 D C 2.525 178.916 176.300 0.153 0.000 0.989 270 D CA 1.892 56.032 54.000 0.233 0.000 0.827 270 D CB -0.642 40.257 40.800 0.165 0.000 0.966 270 D HN 0.242 nan 8.370 nan 0.000 0.456 271 V N -0.724 119.253 119.914 0.106 0.000 2.871 271 V HA -0.029 4.091 4.120 -0.000 0.000 0.256 271 V C 2.143 178.242 176.094 0.009 0.000 1.082 271 V CA 0.685 63.014 62.300 0.049 0.000 1.105 271 V CB -0.604 31.240 31.823 0.034 0.000 0.713 271 V HN 0.055 nan 8.190 nan 0.000 0.473 272 L N 1.193 122.418 121.223 0.003 0.000 2.056 272 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 272 L C 2.733 179.519 176.870 -0.139 0.000 1.078 272 L CA 2.500 57.295 54.840 -0.075 0.000 0.749 272 L CB -0.918 41.038 42.059 -0.171 0.000 0.901 272 L HN 0.432 nan 8.230 nan 0.000 0.433 273 R N -0.495 119.964 120.500 -0.069 0.000 2.083 273 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 273 R C 1.780 178.044 176.300 -0.061 0.000 1.137 273 R CA 2.088 58.067 56.100 -0.201 0.000 0.951 273 R CB -0.511 29.843 30.300 0.089 0.000 0.851 273 R HN 0.382 nan 8.270 nan 0.000 0.434 274 D N -0.049 120.348 120.400 -0.004 0.000 2.218 274 D HA -0.088 4.552 4.640 -0.000 0.000 0.204 274 D C 1.845 178.121 176.300 -0.040 0.000 0.976 274 D CA 1.319 55.318 54.000 -0.001 0.000 0.853 274 D CB -0.033 40.775 40.800 0.013 0.000 0.939 274 D HN 0.212 nan 8.370 nan 0.000 0.481 275 S N -0.174 115.480 115.700 -0.078 0.000 2.388 275 S HA 0.048 4.518 4.470 -0.000 0.000 0.223 275 S C 2.125 176.639 174.600 -0.142 0.000 1.034 275 S CA 0.139 58.283 58.200 -0.094 0.000 0.963 275 S CB 0.101 63.246 63.200 -0.092 0.000 0.827 275 S HN 0.235 nan 8.310 nan 0.000 0.481 276 I N 1.330 121.751 120.570 -0.248 0.000 2.286 276 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 276 I C 2.114 178.103 176.117 -0.214 0.000 1.115 276 I CA 0.780 61.858 61.300 -0.371 0.000 1.392 276 I CB -0.446 37.024 38.000 -0.883 0.000 1.065 276 I HN 0.122 nan 8.210 nan 0.000 0.418 277 V N 0.735 120.612 119.914 -0.062 0.000 2.343 277 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 277 V C 2.497 178.550 176.094 -0.068 0.000 1.051 277 V CA 2.212 64.532 62.300 0.033 0.000 1.036 277 V CB -0.597 31.274 31.823 0.081 0.000 0.654 277 V HN 0.498 nan 8.190 nan 0.000 0.451 278 E N -0.070 120.086 120.200 -0.073 0.000 2.046 278 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 278 E C 2.222 178.759 176.600 -0.105 0.000 0.982 278 E CA 1.389 57.742 56.400 -0.078 0.000 0.800 278 E CB 0.010 29.677 29.700 -0.056 0.000 0.756 278 E HN 0.377 nan 8.360 nan 0.000 0.449 279 V N 1.373 121.222 119.914 -0.108 0.000 2.407 279 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 279 V C 2.372 178.362 176.094 -0.174 0.000 1.055 279 V CA 2.221 64.457 62.300 -0.107 0.000 1.049 279 V CB -0.546 31.238 31.823 -0.065 0.000 0.662 279 V HN 0.379 nan 8.190 nan 0.000 0.455 280 E N -0.183 119.855 120.200 -0.270 0.000 2.058 280 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 280 E C 2.449 178.700 176.600 -0.581 0.000 0.997 280 E CA 1.624 57.595 56.400 -0.714 0.000 0.801 280 E CB -0.237 29.060 29.700 -0.672 0.000 0.746 280 E HN 0.513 nan 8.360 nan 0.000 0.450 281 S N -0.142 115.361 115.700 -0.329 0.000 2.356 281 S HA -0.112 4.358 4.470 -0.000 0.000 0.223 281 S C 2.002 176.500 174.600 -0.170 0.000 1.032 281 S CA 1.022 59.088 58.200 -0.223 0.000 1.005 281 S CB -0.260 62.854 63.200 -0.144 0.000 0.867 281 S HN 0.309 nan 8.310 nan 0.000 0.449 282 L N 0.588 121.721 121.223 -0.151 0.000 2.083 282 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 282 L C 2.678 179.472 176.870 -0.128 0.000 1.083 282 L CA 1.032 55.808 54.840 -0.108 0.000 0.752 282 L CB -0.615 41.391 42.059 -0.088 0.000 0.899 282 L HN 0.479 nan 8.230 nan 0.000 0.433 283 C N -0.414 118.745 119.300 -0.235 0.000 2.500 283 C HA -0.091 4.369 4.460 -0.000 0.000 0.279 283 C C 2.705 177.689 174.990 -0.010 0.000 1.288 283 C CA 0.308 59.116 59.018 -0.350 0.000 1.710 283 C CB -0.537 26.780 27.740 -0.705 0.000 2.052 283 C HN 0.408 nan 8.230 nan 0.000 0.488 284 K N 0.514 120.870 120.400 -0.073 0.000 2.209 284 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 284 K C 2.234 178.850 176.600 0.026 0.000 1.048 284 K CA 0.823 57.109 56.287 -0.000 0.000 0.940 284 K CB -0.218 32.186 32.500 -0.161 0.000 0.729 284 K HN 0.400 nan 8.250 nan 0.000 0.451 285 R N 0.900 121.398 120.500 -0.004 0.000 2.241 285 R HA -0.109 4.231 4.340 -0.000 0.000 0.224 285 R C 1.042 177.380 176.300 0.064 0.000 1.101 285 R CA 0.963 57.073 56.100 0.016 0.000 0.995 285 R CB 0.208 30.507 30.300 -0.002 0.000 0.870 285 R HN 0.139 nan 8.270 nan 0.000 0.463 286 E N 0.306 120.578 120.200 0.120 0.000 2.442 286 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 286 E C -0.055 176.637 176.600 0.152 0.000 1.030 286 E CA 0.081 56.578 56.400 0.162 0.000 0.869 286 E CB 0.004 29.869 29.700 0.276 0.000 0.857 286 E HN 0.240 nan 8.360 nan 0.000 0.505 287 N N 1.357 120.144 118.700 0.145 0.000 2.714 287 N HA -0.173 4.567 4.740 -0.000 0.000 0.252 287 N C -0.414 175.172 175.510 0.126 0.000 1.014 287 N CA 0.732 53.855 53.050 0.122 0.000 0.735 287 N CB -1.700 36.835 38.487 0.080 0.000 0.924 287 N HN 0.001 nan 8.380 nan 0.000 0.540 288 S N 1.087 116.889 115.700 0.170 0.000 2.510 288 S HA 0.258 4.728 4.470 -0.000 0.000 0.279 288 S C -1.904 172.737 174.600 0.069 0.000 1.284 288 S CA -0.978 57.275 58.200 0.088 0.000 1.059 288 S CB 0.654 63.852 63.200 -0.002 0.000 0.901 288 S HN 0.111 nan 8.310 nan 0.000 0.491 289 P HA 0.141 nan 4.420 nan 0.000 0.268 289 P C -0.487 176.822 177.300 0.015 0.000 1.204 289 P CA -0.363 62.761 63.100 0.041 0.000 0.768 289 P CB 0.205 31.931 31.700 0.043 0.000 0.842 290 I N 3.870 124.467 120.570 0.045 0.000 2.416 290 I HA 0.204 4.374 4.170 -0.000 0.000 0.288 290 I C 0.940 177.074 176.117 0.027 0.000 1.051 290 I CA -0.393 60.935 61.300 0.046 0.000 1.375 290 I CB 0.425 38.503 38.000 0.131 0.000 1.407 290 I HN 0.197 nan 8.210 nan 0.000 0.516 291 V N 4.707 124.581 119.914 -0.067 0.000 3.160 291 V HA 0.533 4.653 4.120 -0.000 0.000 0.310 291 V C -0.537 175.472 176.094 -0.142 0.000 1.181 291 V CA -1.304 60.938 62.300 -0.097 0.000 1.047 291 V CB 2.161 33.873 31.823 -0.184 0.000 1.068 291 V HN 0.467 nan 8.190 nan 0.000 0.441 292 L N 2.431 123.595 121.223 -0.099 0.000 2.530 292 L HA 0.481 4.820 4.340 -0.000 0.000 0.273 292 L C -0.053 176.829 176.870 0.019 0.000 1.141 292 L CA 0.582 55.369 54.840 -0.088 0.000 0.905 292 L CB -0.723 41.304 42.059 -0.054 0.000 1.202 292 L HN 0.930 nan 8.230 nan 0.000 0.473 293 C N 4.453 123.750 119.300 -0.006 0.000 2.399 293 C HA 0.314 4.773 4.460 -0.000 0.000 0.348 293 C C 1.674 176.783 174.990 0.198 0.000 1.183 293 C CA -0.615 58.474 59.018 0.118 0.000 2.023 293 C CB 1.279 29.041 27.740 0.037 0.000 2.361 293 C HN 0.908 nan 8.230 nan 0.000 0.521 294 H N -0.224 118.932 119.070 0.143 0.000 2.384 294 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 294 H C 1.411 176.767 175.328 0.047 0.000 1.057 294 H CA 2.130 58.216 56.048 0.063 0.000 1.370 294 H CB 0.217 29.868 29.762 -0.185 0.000 1.417 294 H HN 0.872 nan 8.280 nan 0.000 0.527 295 C N 0.197 119.653 119.300 0.260 0.000 5.102 295 C HA -0.167 4.293 4.460 -0.000 0.000 0.236 295 C C 0.190 175.382 174.990 0.336 0.000 1.316 295 C CA 0.991 60.175 59.018 0.277 0.000 1.394 295 C CB -1.887 25.974 27.740 0.203 0.000 1.902 295 C HN 0.716 nan 8.230 nan 0.000 0.644 296 D N -0.181 120.446 120.400 0.379 0.000 3.220 296 D HA 0.332 4.972 4.640 -0.000 0.000 0.309 296 D C -0.134 176.167 176.300 0.002 0.000 1.276 296 D CA -0.185 53.939 54.000 0.206 0.000 0.736 296 D CB -0.101 40.825 40.800 0.210 0.000 1.304 296 D HN 0.462 nan 8.370 nan 0.000 0.582 297 L N 2.300 123.413 121.223 -0.184 0.000 2.583 297 L HA 0.278 4.618 4.340 -0.000 0.000 0.239 297 L C 0.015 176.773 176.870 -0.187 0.000 1.347 297 L CA -0.481 54.110 54.840 -0.414 0.000 1.246 297 L CB -0.517 41.239 42.059 -0.505 0.000 1.496 297 L HN 0.171 nan 8.230 nan 0.000 0.413 298 L N -2.605 118.475 121.223 -0.238 0.000 2.456 298 L HA 0.416 4.756 4.340 -0.000 0.000 0.257 298 L C 1.595 178.370 176.870 -0.159 0.000 1.162 298 L CA -0.024 54.672 54.840 -0.240 0.000 0.808 298 L CB 0.078 41.907 42.059 -0.382 0.000 1.136 298 L HN 0.042 nan 8.230 nan 0.000 0.466 299 S N 0.421 116.035 115.700 -0.143 0.000 2.378 299 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 299 S C 1.784 176.335 174.600 -0.082 0.000 1.052 299 S CA 2.082 60.219 58.200 -0.105 0.000 1.084 299 S CB -0.783 62.355 63.200 -0.103 0.000 0.950 299 S HN 0.950 nan 8.310 nan 0.000 0.440 300 S N 1.580 117.250 115.700 -0.050 0.000 2.547 300 S HA 0.065 4.535 4.470 -0.000 0.000 0.235 300 S C 1.081 175.668 174.600 -0.021 0.000 0.980 300 S CA 0.515 58.706 58.200 -0.015 0.000 0.941 300 S CB -0.281 62.943 63.200 0.039 0.000 0.763 300 S HN 0.361 nan 8.310 nan 0.000 0.532 301 N N 0.957 119.625 118.700 -0.054 0.000 2.280 301 N HA 0.357 5.097 4.740 -0.000 0.000 0.192 301 N C -0.511 174.975 175.510 -0.041 0.000 1.109 301 N CA 0.158 53.174 53.050 -0.056 0.000 0.855 301 N CB 0.243 38.663 38.487 -0.111 0.000 0.974 301 N HN 0.508 nan 8.380 nan 0.000 0.482 302 I N 1.546 122.098 120.570 -0.030 0.000 2.389 302 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 302 I C -0.669 175.398 176.117 -0.084 0.000 0.999 302 I CA -0.576 60.752 61.300 0.047 0.000 1.129 302 I CB 1.829 39.873 38.000 0.073 0.000 1.288 302 I HN -0.287 nan 8.210 nan 0.000 0.444 303 I N 4.986 125.501 120.570 -0.091 0.000 2.389 303 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 303 I C -0.305 175.659 176.117 -0.256 0.000 0.999 303 I CA -0.605 60.579 61.300 -0.194 0.000 1.129 303 I CB 1.446 39.376 38.000 -0.117 0.000 1.288 303 I HN 0.527 nan 8.210 nan 0.000 0.444 304 N N 4.278 122.693 118.700 -0.475 0.000 2.462 304 N HA 0.213 4.953 4.740 -0.000 0.000 0.242 304 N C -0.667 174.719 175.510 -0.207 0.000 1.010 304 N CA -0.008 52.825 53.050 -0.362 0.000 0.939 304 N CB 0.723 38.927 38.487 -0.471 0.000 1.127 304 N HN 0.427 nan 8.380 nan 0.000 0.509 305 T N 3.763 118.275 114.554 -0.070 0.000 2.997 305 T HA 0.060 4.410 4.350 -0.000 0.000 0.311 305 T C 1.491 176.224 174.700 0.054 0.000 1.079 305 T CA -0.392 61.711 62.100 0.006 0.000 0.982 305 T CB 0.543 69.404 68.868 -0.013 0.000 1.032 305 T HN 0.375 nan 8.240 nan 0.000 0.581 306 V N 3.497 123.487 119.914 0.127 0.000 2.720 306 V HA 0.057 4.177 4.120 -0.000 0.000 0.256 306 V C 1.635 177.777 176.094 0.080 0.000 1.082 306 V CA 1.673 64.053 62.300 0.133 0.000 1.101 306 V CB -0.816 31.126 31.823 0.198 0.000 0.693 306 V HN 0.869 nan 8.190 nan 0.000 0.479 345 D N 1.495 121.902 120.400 0.010 0.000 2.390 345 D HA 0.525 5.165 4.640 -0.000 0.000 0.249 345 D C -0.569 175.741 176.300 0.017 0.000 1.144 345 D CA 0.752 54.777 54.000 0.042 0.000 0.880 345 D CB 1.757 42.570 40.800 0.021 0.000 1.182 345 D HN 0.105 nan 8.370 nan 0.000 0.451 346 S N 2.242 117.955 115.700 0.021 0.000 2.672 346 S HA 0.478 4.948 4.470 -0.000 0.000 0.291 346 S C -0.504 174.070 174.600 -0.043 0.000 1.145 346 S CA -0.702 57.485 58.200 -0.021 0.000 1.013 346 S CB 0.458 63.640 63.200 -0.030 0.000 1.017 346 S HN 0.285 nan 8.310 nan 0.000 0.487 347 I N 3.467 123.992 120.570 -0.074 0.000 2.385 347 I HA 0.446 4.616 4.170 -0.000 0.000 0.294 347 I C 0.215 176.178 176.117 -0.256 0.000 0.988 347 I CA -0.037 61.184 61.300 -0.131 0.000 1.265 347 I CB 1.907 39.861 38.000 -0.077 0.000 1.388 347 I HN 0.486 nan 8.210 nan 0.000 0.480 348 S N 4.740 120.290 115.700 -0.251 0.000 2.599 348 S HA 0.679 5.149 4.470 -0.000 0.000 0.287 348 S C -0.983 173.496 174.600 -0.201 0.000 1.105 348 S CA -0.493 57.543 58.200 -0.273 0.000 0.899 348 S CB 1.541 64.681 63.200 -0.101 0.000 1.100 348 S HN 0.209 nan 8.310 nan 0.000 0.482 349 F N 1.815 121.794 119.950 0.049 0.000 2.492 349 F HA 0.719 5.246 4.527 -0.000 0.000 0.327 349 F C 0.390 176.246 175.800 0.093 0.000 1.079 349 F CA -1.462 56.530 58.000 -0.014 0.000 0.967 349 F CB 0.772 39.732 39.000 -0.068 0.000 1.169 349 F HN 0.472 nan 8.300 nan 0.000 0.472 350 I N -2.294 118.385 120.570 0.183 0.000 3.239 350 I HA 0.717 4.887 4.170 -0.000 0.000 0.314 350 I C -1.347 174.778 176.117 0.014 0.000 1.126 350 I CA -1.304 60.094 61.300 0.164 0.000 0.973 350 I CB 1.982 40.057 38.000 0.125 0.000 1.252 350 I HN 0.413 nan 8.210 nan 0.000 0.463 351 D N 1.477 121.932 120.400 0.091 0.000 3.729 351 D HA -0.196 4.444 4.640 -0.000 0.000 0.242 351 D C -0.783 175.396 176.300 -0.201 0.000 1.091 351 D CA 1.013 55.040 54.000 0.044 0.000 1.096 351 D CB -1.024 39.821 40.800 0.074 0.000 0.901 351 D HN 0.556 nan 8.370 nan 0.000 0.416 352 F N 0.785 120.695 119.950 -0.067 0.000 2.819 352 F HA 0.109 4.636 4.527 -0.000 0.000 0.294 352 F C 1.992 177.691 175.800 -0.169 0.000 1.166 352 F CA -0.337 57.539 58.000 -0.207 0.000 1.374 352 F CB 0.327 39.265 39.000 -0.103 0.000 0.956 352 F HN 0.139 nan 8.300 nan 0.000 0.509 353 E N -0.648 119.511 120.200 -0.067 0.000 2.204 353 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 353 E C 0.868 177.243 176.600 -0.374 0.000 0.989 353 E CA 1.528 57.783 56.400 -0.241 0.000 0.824 353 E CB -0.512 28.962 29.700 -0.377 0.000 0.756 353 E HN 0.516 nan 8.360 nan 0.000 0.477 354 Y N 1.413 121.697 120.300 -0.028 0.000 2.462 354 Y HA 0.160 4.710 4.550 -0.000 0.000 0.261 354 Y C 1.325 177.194 175.900 -0.051 0.000 1.146 354 Y CA -0.125 57.964 58.100 -0.019 0.000 1.283 354 Y CB 0.617 39.090 38.460 0.021 0.000 1.090 354 Y HN -0.130 nan 8.280 nan 0.000 0.526 355 S N 1.346 117.066 115.700 0.033 0.000 2.516 355 S HA 0.421 4.891 4.470 -0.000 0.000 0.282 355 S C -0.266 174.301 174.600 -0.054 0.000 1.286 355 S CA -0.432 57.784 58.200 0.027 0.000 1.066 355 S CB -0.477 62.822 63.200 0.164 0.000 0.884 355 S HN 0.430 nan 8.310 nan 0.000 0.491 356 C N 3.087 122.311 119.300 -0.126 0.000 3.292 356 C HA 0.636 5.096 4.460 -0.000 0.000 0.338 356 C C -3.317 171.432 174.990 -0.401 0.000 1.323 356 C CA -1.977 56.829 59.018 -0.354 0.000 1.232 356 C CB 0.450 27.974 27.740 -0.361 0.000 1.517 356 C HN 0.560 nan 8.230 nan 0.000 0.470 357 P HA 0.336 nan 4.420 nan 0.000 0.261 357 P C -0.475 176.703 177.300 -0.203 0.000 1.203 357 P CA 1.006 63.852 63.100 -0.425 0.000 0.767 357 P CB 0.109 31.489 31.700 -0.533 0.000 0.785 358 M N 1.128 120.646 119.600 -0.138 0.000 2.755 358 M HA 0.279 4.759 4.480 -0.000 0.000 0.273 358 M C -0.296 175.943 176.300 -0.101 0.000 1.278 358 M CA -1.084 54.144 55.300 -0.120 0.000 0.819 358 M CB 1.765 34.234 32.600 -0.219 0.000 1.694 358 M HN 0.054 nan 8.290 nan 0.000 0.460 359 E N 1.248 121.404 120.200 -0.073 0.000 2.465 359 E HA -0.020 4.330 4.350 -0.000 0.000 0.260 359 E C 0.809 177.259 176.600 -0.250 0.000 0.980 359 E CA 0.188 56.525 56.400 -0.105 0.000 0.927 359 E CB 0.397 30.072 29.700 -0.041 0.000 0.934 359 E HN 0.477 nan 8.360 nan 0.000 0.459 360 R N 3.027 123.360 120.500 -0.278 0.000 2.159 360 R HA -0.203 4.136 4.340 -0.000 0.000 0.237 360 R C 1.550 177.653 176.300 -0.328 0.000 1.131 360 R CA 1.557 57.449 56.100 -0.347 0.000 0.982 360 R CB -0.315 29.877 30.300 -0.180 0.000 0.868 360 R HN 0.439 nan 8.270 nan 0.000 0.453 361 A N 0.590 123.092 122.820 -0.529 0.000 2.014 361 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 361 A C 1.935 179.009 177.584 -0.849 0.000 1.163 361 A CA 0.805 52.388 52.037 -0.757 0.000 0.652 361 A CB -0.656 17.712 19.000 -1.052 0.000 0.808 361 A HN 0.549 nan 8.150 nan 0.000 0.449 362 Y N 0.811 120.552 120.300 -0.931 0.000 2.145 362 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 362 Y C 2.029 177.732 175.900 -0.328 0.000 1.145 362 Y CA 2.066 59.905 58.100 -0.436 0.000 1.148 362 Y CB -0.232 38.085 38.460 -0.238 0.000 0.981 362 Y HN 0.356 nan 8.280 nan 0.000 0.507 363 D N 0.055 120.334 120.400 -0.202 0.000 2.144 363 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 363 D C 2.093 178.160 176.300 -0.389 0.000 0.984 363 D CA 1.663 55.554 54.000 -0.182 0.000 0.834 363 D CB -0.236 40.621 40.800 0.095 0.000 0.955 363 D HN 0.498 nan 8.370 nan 0.000 0.465 364 I N 0.214 120.486 120.570 -0.497 0.000 2.193 364 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 364 I C 2.423 177.893 176.117 -1.079 0.000 1.084 364 I CA 1.048 61.851 61.300 -0.827 0.000 1.365 364 I CB -0.194 37.359 38.000 -0.744 0.000 1.064 364 I HN -0.057 nan 8.210 nan 0.000 0.410 365 A N 0.562 122.885 122.820 -0.829 0.000 1.969 365 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 365 A C 2.024 179.110 177.584 -0.830 0.000 1.169 365 A CA 2.156 53.642 52.037 -0.918 0.000 0.635 365 A CB -0.873 17.667 19.000 -0.767 0.000 0.810 365 A HN 0.495 nan 8.150 nan 0.000 0.445 366 N N -0.732 117.514 118.700 -0.756 0.000 2.106 366 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 366 N C 1.695 176.972 175.510 -0.389 0.000 1.029 366 N CA 1.958 54.648 53.050 -0.601 0.000 0.848 366 N CB -0.416 37.611 38.487 -0.766 0.000 1.007 366 N HN 0.639 nan 8.380 nan 0.000 0.423 367 H N -0.845 117.916 119.070 -0.516 0.000 2.352 367 H HA -0.102 4.453 4.556 -0.000 0.000 0.299 367 H C 1.306 176.500 175.328 -0.224 0.000 1.097 367 H CA 2.019 57.828 56.048 -0.398 0.000 1.311 367 H CB -0.431 29.016 29.762 -0.525 0.000 1.377 367 H HN 0.214 nan 8.280 nan 0.000 0.504 368 F N 0.437 120.062 119.950 -0.543 0.000 2.269 368 F HA -0.091 4.436 4.527 0.000 0.000 0.301 368 F C 2.204 177.797 175.800 -0.345 0.000 1.082 368 F CA 1.213 58.772 58.000 -0.735 0.000 1.360 368 F CB -1.064 37.577 39.000 -0.598 0.000 1.041 368 F HN 0.337 nan 8.300 nan 0.000 0.512 369 N N -0.160 118.521 118.700 -0.031 0.000 2.309 369 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 369 N C 1.298 176.926 175.510 0.196 0.000 1.018 369 N CA 0.628 53.764 53.050 0.142 0.000 0.876 369 N CB -0.020 38.426 38.487 -0.069 0.000 0.972 369 N HN 0.123 nan 8.380 nan 0.000 0.434 370 E N -0.137 120.073 120.200 0.016 0.000 2.502 370 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 370 E C 0.610 177.250 176.600 0.067 0.000 1.062 370 E CA 0.257 56.626 56.400 -0.052 0.000 0.867 370 E CB -0.023 29.552 29.700 -0.208 0.000 0.888 370 E HN 0.522 nan 8.360 nan 0.000 0.510 371 Y N 1.023 121.277 120.300 -0.076 0.000 2.293 371 Y HA -0.070 4.480 4.550 -0.000 0.000 0.291 371 Y C 2.346 178.244 175.900 -0.002 0.000 1.137 371 Y CA 0.571 58.648 58.100 -0.039 0.000 1.202 371 Y CB -0.632 37.836 38.460 0.014 0.000 0.990 371 Y HN 0.056 nan 8.280 nan 0.000 0.537 372 A N -0.213 122.736 122.820 0.215 0.000 2.119 372 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 372 A C 1.812 179.363 177.584 -0.055 0.000 1.153 372 A CA 1.025 53.102 52.037 0.065 0.000 0.692 372 A CB -1.183 17.845 19.000 0.046 0.000 0.799 372 A HN 0.531 nan 8.150 nan 0.000 0.458 373 G N -1.858 106.902 108.800 -0.068 0.000 2.752 373 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.234 373 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.234 373 G C 0.251 175.072 174.900 -0.133 0.000 1.367 373 G CA 0.092 45.110 45.100 -0.136 0.000 0.879 373 G HN 0.390 nan 8.290 nan 0.000 0.563 374 F N 0.433 120.394 119.950 0.020 0.000 2.502 374 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 374 F C 2.469 178.311 175.800 0.069 0.000 1.111 374 F CA 1.378 59.430 58.000 0.087 0.000 1.445 374 F CB -0.227 38.784 39.000 0.019 0.000 1.081 374 F HN 0.433 nan 8.300 nan 0.000 0.558 375 N N -0.609 118.163 118.700 0.119 0.000 2.512 375 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 375 N C 0.312 175.728 175.510 -0.158 0.000 1.073 375 N CA 0.637 53.686 53.050 -0.003 0.000 0.911 375 N CB -0.164 38.301 38.487 -0.037 0.000 0.964 375 N HN 0.136 nan 8.380 nan 0.000 0.447 376 C N 1.269 120.385 119.300 -0.306 0.000 4.533 376 C HA -0.140 4.320 4.460 -0.000 0.000 0.304 376 C C -0.969 173.350 174.990 -1.118 0.000 1.316 376 C CA -0.494 57.973 59.018 -0.918 0.000 2.053 376 C CB -2.415 24.867 27.740 -0.764 0.000 1.242 376 C HN 0.411 nan 8.230 nan 0.000 0.758 377 D N -0.182 119.868 120.400 -0.582 0.000 2.453 377 D HA 0.127 4.767 4.640 -0.000 0.000 0.223 377 D C 0.892 177.102 176.300 -0.149 0.000 1.183 377 D CA -0.130 53.669 54.000 -0.335 0.000 0.933 377 D CB 0.258 40.974 40.800 -0.141 0.000 1.038 377 D HN 0.749 nan 8.370 nan 0.000 0.513 378 W N 1.064 122.436 121.300 0.119 0.000 2.721 378 W HA -0.083 4.577 4.660 -0.000 0.000 0.245 378 W C 1.819 178.366 176.519 0.047 0.000 1.276 378 W CA -0.381 57.061 57.345 0.163 0.000 1.342 378 W CB 0.225 29.821 29.460 0.227 0.000 1.135 378 W HN 0.320 nan 8.180 nan 0.000 0.654 379 D N 0.733 121.246 120.400 0.188 0.000 2.312 379 D HA -0.135 4.505 4.640 -0.000 0.000 0.211 379 D C 1.577 177.934 176.300 0.094 0.000 0.964 379 D CA 0.884 54.941 54.000 0.095 0.000 0.877 379 D CB -0.627 40.202 40.800 0.048 0.000 0.924 379 D HN 0.312 nan 8.370 nan 0.000 0.515 380 L N 1.154 122.459 121.223 0.137 0.000 2.567 380 L HA 0.074 4.414 4.340 -0.000 0.000 0.225 380 L C 0.985 177.998 176.870 0.238 0.000 1.119 380 L CA 0.064 54.997 54.840 0.155 0.000 0.871 380 L CB -0.277 41.859 42.059 0.129 0.000 1.036 380 L HN -0.009 nan 8.230 nan 0.000 0.459 381 T N -0.815 113.882 114.554 0.238 0.000 2.928 381 T HA 0.157 4.507 4.350 -0.000 0.000 0.305 381 T C -2.269 172.430 174.700 -0.003 0.000 1.035 381 T CA -1.429 60.768 62.100 0.160 0.000 1.145 381 T CB 0.195 69.214 68.868 0.252 0.000 0.963 381 T HN -0.063 nan 8.240 nan 0.000 0.545 382 P HA 0.093 nan 4.420 nan 0.000 0.264 382 P C 0.448 177.647 177.300 -0.168 0.000 1.193 382 P CA -0.257 62.710 63.100 -0.222 0.000 0.763 382 P CB 0.386 31.695 31.700 -0.652 0.000 0.810 383 S N 2.398 118.045 115.700 -0.088 0.000 2.587 383 S HA 0.041 4.510 4.470 -0.000 0.000 0.260 383 S C 1.442 176.008 174.600 -0.056 0.000 1.353 383 S CA -0.398 57.759 58.200 -0.071 0.000 0.995 383 S CB 0.583 63.761 63.200 -0.037 0.000 0.912 383 S HN 0.470 nan 8.310 nan 0.000 0.568 384 K N 0.600 120.983 120.400 -0.028 0.000 2.089 384 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 384 K C 2.212 178.863 176.600 0.085 0.000 1.048 384 K CA 2.070 58.374 56.287 0.028 0.000 0.926 384 K CB -0.278 32.238 32.500 0.026 0.000 0.714 384 K HN 0.833 nan 8.250 nan 0.000 0.448 385 E N 0.130 120.361 120.200 0.051 0.000 2.152 385 E HA -0.173 4.176 4.350 -0.000 0.000 0.192 385 E C 1.488 178.184 176.600 0.159 0.000 0.983 385 E CA 0.962 57.408 56.400 0.077 0.000 0.818 385 E CB 0.201 29.902 29.700 0.001 0.000 0.758 385 E HN 0.376 nan 8.360 nan 0.000 0.467 386 E N 0.319 120.576 120.200 0.095 0.000 2.107 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 386 E C 1.948 178.610 176.600 0.104 0.000 0.982 386 E CA 0.848 57.318 56.400 0.116 0.000 0.809 386 E CB 0.064 29.787 29.700 0.038 0.000 0.756 386 E HN 0.337 nan 8.360 nan 0.000 0.459 387 E N 0.347 120.526 120.200 -0.035 0.000 2.051 387 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 387 E C 1.857 178.632 176.600 0.292 0.000 0.991 387 E CA 0.957 57.350 56.400 -0.011 0.000 0.799 387 E CB -0.241 29.464 29.700 0.008 0.000 0.748 387 E HN 0.291 nan 8.360 nan 0.000 0.449 388 Y N 1.301 121.698 120.300 0.161 0.000 2.114 388 Y HA -0.348 4.202 4.550 0.000 0.000 0.282 388 Y C 2.509 178.542 175.900 0.221 0.000 1.165 388 Y CA 2.142 60.346 58.100 0.172 0.000 1.148 388 Y CB -0.149 38.385 38.460 0.123 0.000 0.972 388 Y HN 0.195 nan 8.280 nan 0.000 0.504 389 H N -1.134 118.179 119.070 0.406 0.000 2.293 389 H HA -0.246 4.310 4.556 -0.000 0.000 0.300 389 H C 2.244 177.813 175.328 0.402 0.000 1.082 389 H CA 2.036 58.303 56.048 0.365 0.000 1.308 389 H CB -0.669 29.293 29.762 0.333 0.000 1.375 389 H HN 0.477 nan 8.280 nan 0.000 0.495 390 F N 1.184 121.339 119.950 0.342 0.000 2.065 390 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 390 F C 2.629 178.578 175.800 0.248 0.000 1.112 390 F CA 1.774 59.990 58.000 0.360 0.000 1.212 390 F CB -0.484 38.868 39.000 0.587 0.000 0.975 390 F HN 0.072 nan 8.300 nan 0.000 0.476 391 I N -0.206 120.625 120.570 0.435 0.000 2.394 391 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 391 I C 2.566 178.707 176.117 0.040 0.000 1.136 391 I CA 1.409 62.858 61.300 0.248 0.000 1.425 391 I CB -0.434 37.673 38.000 0.179 0.000 1.079 391 I HN 0.340 nan 8.210 nan 0.000 0.425 392 M N 0.368 119.888 119.600 -0.134 0.000 2.082 392 M HA -0.286 4.194 4.480 -0.000 0.000 0.258 392 M C 2.413 178.534 176.300 -0.299 0.000 1.069 392 M CA 2.006 57.139 55.300 -0.278 0.000 1.102 392 M CB -0.414 31.968 32.600 -0.363 0.000 1.336 392 M HN 0.270 nan 8.290 nan 0.000 0.404 393 H N -1.391 117.583 119.070 -0.159 0.000 2.423 393 H HA -0.149 4.407 4.556 -0.000 0.000 0.297 393 H C 1.878 177.100 175.328 -0.176 0.000 1.075 393 H CA 1.867 57.798 56.048 -0.195 0.000 1.342 393 H CB -0.703 28.895 29.762 -0.275 0.000 1.395 393 H HN 0.615 nan 8.280 nan 0.000 0.530 394 Y N 1.593 121.773 120.300 -0.200 0.000 2.114 394 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 394 Y C 2.423 178.267 175.900 -0.094 0.000 1.143 394 Y CA 1.328 59.321 58.100 -0.178 0.000 1.135 394 Y CB -0.564 37.829 38.460 -0.111 0.000 0.980 394 Y HN -0.015 nan 8.280 nan 0.000 0.499 395 L N -0.352 120.889 121.223 0.031 0.000 2.217 395 L HA 0.039 4.379 4.340 -0.000 0.000 0.211 395 L C 1.773 178.574 176.870 -0.114 0.000 1.107 395 L CA 0.970 55.775 54.840 -0.059 0.000 0.783 395 L CB -0.839 41.245 42.059 0.041 0.000 0.919 395 L HN 0.581 nan 8.230 nan 0.000 0.442 396 G N 0.269 109.003 108.800 -0.110 0.000 2.160 396 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.244 396 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.244 396 G C 0.215 175.063 174.900 -0.086 0.000 1.022 396 G CA 0.475 45.516 45.100 -0.099 0.000 0.741 396 G HN 0.330 nan 8.290 nan 0.000 0.508 397 T N -1.129 113.368 114.554 -0.096 0.000 2.896 397 T HA 0.540 4.890 4.350 -0.000 0.000 0.297 397 T C 0.475 175.124 174.700 -0.085 0.000 1.108 397 T CA 0.414 62.471 62.100 -0.072 0.000 1.004 397 T CB 1.264 70.103 68.868 -0.048 0.000 1.159 397 T HN 0.245 nan 8.240 nan 0.000 0.499 398 D N 0.639 121.012 120.400 -0.044 0.000 2.363 398 D HA 0.141 4.781 4.640 -0.000 0.000 0.214 398 D C 0.203 176.516 176.300 0.022 0.000 1.093 398 D CA -0.316 53.679 54.000 -0.008 0.000 0.837 398 D CB 0.132 40.942 40.800 0.017 0.000 0.948 398 D HN 0.340 nan 8.370 nan 0.000 0.507 399 D N 1.789 122.189 120.400 0.000 0.000 2.356 399 D HA -0.080 4.560 4.640 -0.000 0.000 0.272 399 D C 0.975 177.286 176.300 0.019 0.000 1.337 399 D CA 0.231 54.240 54.000 0.016 0.000 0.970 399 D CB 0.664 41.468 40.800 0.005 0.000 1.092 399 D HN 0.340 nan 8.370 nan 0.000 0.516 400 E N 3.118 123.364 120.200 0.077 0.000 2.110 400 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 400 E C 1.406 178.062 176.600 0.094 0.000 0.988 400 E CA 0.782 57.266 56.400 0.139 0.000 0.804 400 E CB 0.193 30.025 29.700 0.219 0.000 0.745 400 E HN 0.650 nan 8.360 nan 0.000 0.458 401 E N 0.329 120.570 120.200 0.068 0.000 2.085 401 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 401 E C 2.220 178.843 176.600 0.038 0.000 0.994 401 E CA 1.097 57.529 56.400 0.054 0.000 0.801 401 E CB -0.031 29.695 29.700 0.044 0.000 0.743 401 E HN 0.336 nan 8.360 nan 0.000 0.453 402 L N 0.343 121.579 121.223 0.022 0.000 2.072 402 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 402 L C 2.527 179.396 176.870 -0.001 0.000 1.079 402 L CA 0.696 55.544 54.840 0.015 0.000 0.752 402 L CB -0.319 41.745 42.059 0.008 0.000 0.906 402 L HN 0.231 nan 8.230 nan 0.000 0.436 403 I N 0.239 120.776 120.570 -0.054 0.000 2.179 403 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 403 I C 2.004 178.086 176.117 -0.059 0.000 1.088 403 I CA 1.811 63.025 61.300 -0.143 0.000 1.357 403 I CB -0.454 37.270 38.000 -0.460 0.000 1.051 403 I HN 0.315 nan 8.210 nan 0.000 0.409 404 N N -0.080 118.630 118.700 0.017 0.000 2.289 404 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 404 N C 1.830 177.384 175.510 0.073 0.000 1.016 404 N CA 0.630 53.730 53.050 0.083 0.000 0.872 404 N CB -0.038 38.519 38.487 0.116 0.000 0.973 404 N HN 0.446 nan 8.380 nan 0.000 0.433 405 Q N 0.270 120.105 119.800 0.057 0.000 2.079 405 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 405 Q C 1.936 177.976 176.000 0.066 0.000 0.974 405 Q CA 0.904 56.743 55.803 0.061 0.000 0.840 405 Q CB -0.014 28.756 28.738 0.053 0.000 0.898 405 Q HN 0.293 nan 8.270 nan 0.000 0.430 406 L N 0.571 121.827 121.223 0.056 0.000 2.109 406 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 406 L C 1.882 178.791 176.870 0.065 0.000 1.086 406 L CA 1.347 56.217 54.840 0.050 0.000 0.760 406 L CB -0.282 41.803 42.059 0.044 0.000 0.910 406 L HN 0.189 nan 8.230 nan 0.000 0.437 407 I N -0.727 119.896 120.570 0.088 0.000 2.163 407 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 407 I C 2.690 178.892 176.117 0.141 0.000 1.085 407 I CA 1.406 62.785 61.300 0.132 0.000 1.347 407 I CB -0.375 37.710 38.000 0.142 0.000 1.044 407 I HN 0.261 nan 8.210 nan 0.000 0.408 408 R N 0.732 121.303 120.500 0.119 0.000 2.105 408 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 408 R C 2.269 178.658 176.300 0.148 0.000 1.135 408 R CA 1.773 57.945 56.100 0.120 0.000 0.967 408 R CB -0.145 30.212 30.300 0.096 0.000 0.861 408 R HN 0.414 nan 8.270 nan 0.000 0.442 409 E N 0.640 120.923 120.200 0.139 0.000 2.072 409 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 409 E C 1.954 178.700 176.600 0.244 0.000 0.982 409 E CA 1.277 57.778 56.400 0.168 0.000 0.803 409 E CB -0.116 29.640 29.700 0.094 0.000 0.755 409 E HN 0.574 nan 8.360 nan 0.000 0.453 410 I N -0.911 119.754 120.570 0.158 0.000 3.001 410 I HA -0.130 4.040 4.170 -0.000 0.000 0.268 410 I C 1.799 178.133 176.117 0.362 0.000 1.267 410 I CA 0.374 61.766 61.300 0.154 0.000 1.472 410 I CB -0.044 37.942 38.000 -0.023 0.000 1.089 410 I HN -0.031 nan 8.210 nan 0.000 0.468 411 Q N 2.090 122.108 119.800 0.363 0.000 2.030 411 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 411 Q C -0.193 176.032 176.000 0.376 0.000 0.986 411 Q CA 2.105 58.142 55.803 0.390 0.000 0.843 411 Q CB -1.872 27.003 28.738 0.229 0.000 0.904 411 Q HN 0.509 nan 8.270 nan 0.000 0.420 412 P HA -0.058 nan 4.420 nan 0.000 0.237 412 P C 0.707 178.009 177.300 0.004 0.000 1.178 412 P CA 0.748 63.893 63.100 0.076 0.000 0.766 412 P CB -0.272 31.391 31.700 -0.062 0.000 0.876 413 F N -2.170 117.842 119.950 0.103 0.000 2.710 413 F HA 0.032 4.558 4.527 -0.000 0.000 0.298 413 F C 2.192 177.897 175.800 -0.159 0.000 1.137 413 F CA 0.543 58.545 58.000 0.003 0.000 1.444 413 F CB -0.776 38.191 39.000 -0.057 0.000 1.111 413 F HN -0.172 nan 8.300 nan 0.000 0.580 414 Y N 0.228 120.542 120.300 0.023 0.000 2.114 414 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 414 Y C 2.330 177.992 175.900 -0.396 0.000 1.143 414 Y CA 1.633 59.617 58.100 -0.193 0.000 1.135 414 Y CB -0.649 37.841 38.460 0.050 0.000 0.980 414 Y HN -0.027 nan 8.280 nan 0.000 0.499 415 I N -1.468 119.129 120.570 0.045 0.000 2.286 415 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 415 I C 2.659 178.762 176.117 -0.023 0.000 1.115 415 I CA 1.118 62.434 61.300 0.027 0.000 1.392 415 I CB -0.597 37.439 38.000 0.061 0.000 1.065 415 I HN 0.368 nan 8.210 nan 0.000 0.418 416 C N -0.066 119.224 119.300 -0.017 0.000 2.440 416 C HA -0.153 4.307 4.460 -0.000 0.000 0.278 416 C C 3.316 178.345 174.990 0.065 0.000 1.295 416 C CA 1.546 60.577 59.018 0.021 0.000 1.738 416 C CB -0.795 26.970 27.740 0.043 0.000 1.987 416 C HN 0.561 nan 8.230 nan 0.000 0.492 417 S N -0.835 114.862 115.700 -0.006 0.000 2.368 417 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 417 S C 1.901 176.512 174.600 0.018 0.000 1.030 417 S CA 1.577 59.741 58.200 -0.060 0.000 0.999 417 S CB -0.631 62.339 63.200 -0.384 0.000 0.844 417 S HN 0.812 nan 8.310 nan 0.000 0.459 418 H N 1.011 120.053 119.070 -0.046 0.000 2.321 418 H HA 0.026 4.582 4.556 -0.000 0.000 0.300 418 H C 2.204 177.534 175.328 0.003 0.000 1.087 418 H CA 1.670 57.670 56.048 -0.080 0.000 1.319 418 H CB -0.591 29.005 29.762 -0.276 0.000 1.379 418 H HN 0.447 nan 8.280 nan 0.000 0.501 419 I N 0.569 121.198 120.570 0.099 0.000 2.202 419 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 419 I C 2.440 178.592 176.117 0.059 0.000 1.091 419 I CA 1.189 62.514 61.300 0.042 0.000 1.368 419 I CB -0.285 37.692 38.000 -0.038 0.000 1.058 419 I HN 0.159 nan 8.210 nan 0.000 0.410 420 N N 0.531 119.231 118.700 0.001 0.000 2.036 420 N HA -0.241 4.499 4.740 -0.000 0.000 0.195 420 N C 1.695 177.183 175.510 -0.036 0.000 1.037 420 N CA 2.038 55.045 53.050 -0.071 0.000 0.855 420 N CB -0.279 38.031 38.487 -0.294 0.000 1.033 420 N HN 0.319 nan 8.380 nan 0.000 0.423 421 W N -0.071 121.333 121.300 0.174 0.000 2.476 421 W HA 0.259 4.919 4.660 -0.000 0.000 0.281 421 W C 2.474 179.176 176.519 0.304 0.000 1.230 421 W CA 0.457 57.943 57.345 0.235 0.000 1.287 421 W CB -0.706 28.858 29.460 0.173 0.000 1.108 421 W HN 0.120 nan 8.180 nan 0.000 0.567 422 G N 1.088 110.106 108.800 0.364 0.000 2.476 422 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 422 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 422 G C 1.423 176.451 174.900 0.215 0.000 1.164 422 G CA 1.233 46.474 45.100 0.235 0.000 0.768 422 G HN 0.200 nan 8.290 nan 0.000 0.560 423 L N -1.609 119.722 121.223 0.180 0.000 2.131 423 L HA 0.078 4.418 4.340 -0.000 0.000 0.206 423 L C 2.587 179.436 176.870 -0.035 0.000 1.087 423 L CA 0.848 55.760 54.840 0.120 0.000 0.767 423 L CB -0.406 41.776 42.059 0.205 0.000 0.917 423 L HN 0.452 nan 8.230 nan 0.000 0.441 424 W N 0.598 121.707 121.300 -0.318 0.000 2.338 424 W HA -0.247 4.413 4.660 -0.000 0.000 0.304 424 W C 2.815 179.253 176.519 -0.135 0.000 1.212 424 W CA 1.858 58.889 57.345 -0.524 0.000 1.264 424 W CB -0.128 29.131 29.460 -0.334 0.000 1.142 424 W HN -0.035 nan 8.180 nan 0.000 0.512 425 S N 0.165 116.045 115.700 0.300 0.000 2.368 425 S HA -0.161 4.308 4.470 -0.000 0.000 0.224 425 S C 1.949 176.549 174.600 0.000 0.000 1.029 425 S CA 1.585 59.927 58.200 0.237 0.000 0.988 425 S CB -0.568 63.105 63.200 0.788 0.000 0.838 425 S HN 0.319 nan 8.310 nan 0.000 0.462 426 L N 0.850 122.100 121.223 0.046 0.000 2.131 426 L HA -0.062 4.278 4.340 -0.000 0.000 0.210 426 L C 2.321 179.123 176.870 -0.114 0.000 1.092 426 L CA 0.857 55.705 54.840 0.013 0.000 0.759 426 L CB -0.372 41.727 42.059 0.066 0.000 0.903 426 L HN 0.339 nan 8.230 nan 0.000 0.435 427 L N -0.985 120.109 121.223 -0.216 0.000 2.056 427 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 427 L C 2.832 179.472 176.870 -0.384 0.000 1.078 427 L CA 0.945 55.631 54.840 -0.256 0.000 0.749 427 L CB -0.291 41.593 42.059 -0.292 0.000 0.901 427 L HN 0.329 nan 8.230 nan 0.000 0.433 428 Q N -0.385 118.993 119.800 -0.703 0.000 2.084 428 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 428 Q C 1.867 177.473 176.000 -0.657 0.000 0.978 428 Q CA 1.556 56.757 55.803 -1.004 0.000 0.844 428 Q CB -0.521 26.962 28.738 -2.093 0.000 0.898 428 Q HN 0.515 nan 8.270 nan 0.000 0.426 429 G N -0.467 108.118 108.800 -0.358 0.000 3.234 429 G HA2 0.054 4.013 3.960 -0.000 0.000 0.221 429 G HA3 0.054 4.013 3.960 -0.000 0.000 0.221 429 G C 0.915 175.756 174.900 -0.098 0.000 1.229 429 G CA 0.044 45.135 45.100 -0.015 0.000 0.909 429 G HN 0.118 nan 8.290 nan 0.000 0.510 430 M N -1.112 118.358 119.600 -0.218 0.000 2.447 430 M HA 0.335 4.815 4.480 -0.000 0.000 0.255 430 M C 0.866 176.817 176.300 -0.583 0.000 1.289 430 M CA 0.450 55.526 55.300 -0.373 0.000 1.128 430 M CB 0.653 33.017 32.600 -0.394 0.000 1.540 430 M HN 0.192 nan 8.290 nan 0.000 0.557 431 H N -1.342 117.675 119.070 -0.089 0.000 2.865 431 H HA 0.573 5.129 4.556 -0.000 0.000 0.247 431 H C -0.488 174.805 175.328 -0.060 0.000 1.181 431 H CA 0.299 56.307 56.048 -0.067 0.000 0.975 431 H CB 0.351 30.071 29.762 -0.070 0.000 1.899 431 H HN 0.276 nan 8.280 nan 0.000 0.651 432 S N -1.095 114.614 115.700 0.016 0.000 2.611 432 S HA 0.634 5.104 4.470 -0.000 0.000 0.268 432 S C -0.659 174.010 174.600 0.116 0.000 1.156 432 S CA -0.718 57.509 58.200 0.044 0.000 0.817 432 S CB 3.237 66.436 63.200 -0.002 0.000 1.122 432 S HN 0.062 nan 8.310 nan 0.000 0.466 436 F N 1.768 121.496 119.950 -0.370 0.000 2.456 436 F HA 0.226 4.753 4.527 -0.000 0.000 0.358 436 F C 0.884 176.291 175.800 -0.654 0.000 1.095 436 F CA -0.314 57.279 58.000 -0.678 0.000 1.216 436 F CB 0.816 39.088 39.000 -1.213 0.000 1.125 436 F HN -0.243 nan 8.300 nan 0.000 0.549 437 D N 6.151 126.084 120.400 -0.778 0.000 2.498 437 D HA -0.003 4.637 4.640 -0.000 0.000 0.229 437 D C 0.813 176.997 176.300 -0.193 0.000 1.188 437 D CA 0.449 54.206 54.000 -0.404 0.000 1.028 437 D CB -0.448 40.147 40.800 -0.341 0.000 1.087 437 D HN 0.495 nan 8.370 nan 0.000 0.510 438 F N 1.380 121.438 119.950 0.181 0.000 2.259 438 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 438 F C 1.991 177.921 175.800 0.217 0.000 1.088 438 F CA 0.188 58.368 58.000 0.300 0.000 1.358 438 F CB 0.033 39.121 39.000 0.146 0.000 1.040 438 F HN 0.320 nan 8.300 nan 0.000 0.505 439 I N 0.193 120.933 120.570 0.284 0.000 2.286 439 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 439 I C 2.116 178.333 176.117 0.167 0.000 1.104 439 I CA 1.285 62.696 61.300 0.185 0.000 1.397 439 I CB -0.740 37.320 38.000 0.100 0.000 1.072 439 I HN 0.072 nan 8.210 nan 0.000 0.417 440 N N -0.113 118.667 118.700 0.133 0.000 2.142 440 N HA -0.293 4.446 4.740 -0.000 0.000 0.186 440 N C 2.082 177.699 175.510 0.179 0.000 1.023 440 N CA 1.371 54.484 53.050 0.105 0.000 0.852 440 N CB -0.332 38.175 38.487 0.034 0.000 0.998 440 N HN 0.361 nan 8.380 nan 0.000 0.424 441 Y N 0.355 120.735 120.300 0.133 0.000 2.200 441 Y HA 0.083 4.633 4.550 -0.000 0.000 0.290 441 Y C 2.320 178.403 175.900 0.305 0.000 1.137 441 Y CA 1.922 60.172 58.100 0.250 0.000 1.163 441 Y CB -0.830 37.888 38.460 0.431 0.000 0.988 441 Y HN 0.121 nan 8.280 nan 0.000 0.518 442 G N 0.087 109.104 108.800 0.362 0.000 2.440 442 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 442 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 442 G C 1.467 176.439 174.900 0.121 0.000 1.154 442 G CA 1.252 46.498 45.100 0.243 0.000 0.767 442 G HN 0.332 nan 8.290 nan 0.000 0.552 443 M N 0.814 120.479 119.600 0.108 0.000 2.419 443 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 443 M C 2.496 178.825 176.300 0.049 0.000 1.082 443 M CA 0.968 56.309 55.300 0.068 0.000 1.119 443 M CB -1.101 31.539 32.600 0.066 0.000 1.398 443 M HN 0.126 nan 8.290 nan 0.000 0.453 444 T N 0.095 114.676 114.554 0.046 0.000 2.896 444 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 444 T C 2.046 176.787 174.700 0.069 0.000 1.050 444 T CA 0.758 62.896 62.100 0.063 0.000 1.140 444 T CB 0.064 68.964 68.868 0.053 0.000 0.877 444 T HN 0.196 nan 8.240 nan 0.000 0.457 445 R N 1.111 121.594 120.500 -0.029 0.000 2.075 445 R HA 0.185 4.525 4.340 -0.000 0.000 0.232 445 R C 2.408 178.655 176.300 -0.088 0.000 1.126 445 R CA 0.774 56.854 56.100 -0.034 0.000 0.963 445 R CB -1.118 29.174 30.300 -0.012 0.000 0.858 445 R HN 0.388 nan 8.270 nan 0.000 0.435 446 L N 0.318 121.527 121.223 -0.024 0.000 2.201 446 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 446 L C 2.118 178.947 176.870 -0.068 0.000 1.105 446 L CA 1.252 56.070 54.840 -0.036 0.000 0.775 446 L CB -0.522 41.534 42.059 -0.006 0.000 0.913 446 L HN 0.192 nan 8.230 nan 0.000 0.440 447 T N -0.170 114.354 114.554 -0.048 0.000 2.777 447 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 447 T C 2.019 176.656 174.700 -0.106 0.000 1.040 447 T CA 1.198 63.278 62.100 -0.033 0.000 1.141 447 T CB -0.159 68.728 68.868 0.033 0.000 0.868 447 T HN 0.438 nan 8.240 nan 0.000 0.444 448 A N 1.419 124.084 122.820 -0.260 0.000 1.978 448 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 448 A C 2.539 179.773 177.584 -0.583 0.000 1.170 448 A CA 1.851 53.499 52.037 -0.647 0.000 0.636 448 A CB -0.853 17.215 19.000 -1.553 0.000 0.810 448 A HN 0.441 nan 8.150 nan 0.000 0.448 449 S N -1.414 114.061 115.700 -0.374 0.000 2.419 449 S HA -0.173 4.296 4.470 -0.000 0.000 0.235 449 S C 1.489 176.054 174.600 -0.058 0.000 1.019 449 S CA 1.436 59.560 58.200 -0.127 0.000 0.982 449 S CB -0.462 62.694 63.200 -0.073 0.000 0.789 449 S HN 0.730 nan 8.310 nan 0.000 0.490 450 C N 0.908 120.170 119.300 -0.062 0.000 2.906 450 C HA 0.442 4.902 4.460 -0.000 0.000 0.274 450 C C 0.694 175.681 174.990 -0.006 0.000 1.257 450 C CA -0.817 58.186 59.018 -0.024 0.000 1.695 450 C CB -1.151 26.576 27.740 -0.022 0.000 1.958 450 C HN 0.414 nan 8.230 nan 0.000 0.619 451 L N 2.198 123.423 121.223 0.003 0.000 2.367 451 L HA 0.201 4.540 4.340 -0.000 0.000 0.275 451 L C -1.266 175.611 176.870 0.012 0.000 1.129 451 L CA -1.249 53.604 54.840 0.022 0.000 0.839 451 L CB 0.804 42.893 42.059 0.049 0.000 1.133 451 L HN -0.052 nan 8.230 nan 0.000 0.453 452 P HA -0.224 nan 4.420 nan 0.000 0.216 452 P C 1.583 178.821 177.300 -0.104 0.000 1.150 452 P CA 1.434 64.508 63.100 -0.044 0.000 0.843 452 P CB 0.033 31.707 31.700 -0.042 0.000 0.787 453 I N -6.153 114.310 120.570 -0.178 0.000 2.567 453 I HA -0.191 3.979 4.170 -0.000 0.000 0.257 453 I C 1.637 177.411 176.117 -0.572 0.000 1.184 453 I CA 1.783 62.860 61.300 -0.371 0.000 1.451 453 I CB -0.895 36.824 38.000 -0.469 0.000 1.089 453 I HN -0.140 nan 8.210 nan 0.000 0.441 454 F N 0.749 120.600 119.950 -0.165 0.000 2.500 454 F HA 0.241 4.768 4.527 0.000 0.000 0.285 454 F C 2.540 178.282 175.800 -0.097 0.000 1.088 454 F CA 0.035 57.938 58.000 -0.162 0.000 1.432 454 F CB -0.180 38.747 39.000 -0.122 0.000 1.131 454 F HN -0.253 nan 8.300 nan 0.000 0.582 455 R N 0.303 120.852 120.500 0.081 0.000 2.148 455 R HA -0.070 4.270 4.340 -0.000 0.000 0.227 455 R C 2.024 178.325 176.300 0.002 0.000 1.103 455 R CA 1.412 57.535 56.100 0.038 0.000 0.983 455 R CB -1.060 29.252 30.300 0.020 0.000 0.874 455 R HN 0.335 nan 8.270 nan 0.000 0.451 456 S N 0.119 115.799 115.700 -0.035 0.000 2.593 456 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 456 S C 1.470 176.041 174.600 -0.048 0.000 0.966 456 S CA 0.085 58.258 58.200 -0.044 0.000 0.914 456 S CB 0.181 63.344 63.200 -0.062 0.000 0.776 456 S HN 0.189 nan 8.310 nan 0.000 0.523 457 K N 0.833 121.201 120.400 -0.054 0.000 2.217 457 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 457 K C 0.549 177.160 176.600 0.018 0.000 1.051 457 K CA 0.524 56.785 56.287 -0.044 0.000 0.952 457 K CB -0.194 32.259 32.500 -0.078 0.000 0.736 457 K HN 0.290 nan 8.250 nan 0.000 0.453 458 V N 0.000 119.930 119.914 0.027 0.000 2.409 458 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 458 V CA 0.000 62.321 62.300 0.036 0.000 1.235 458 V CB 0.000 31.841 31.823 0.030 0.000 1.184 458 V HN 0.000 nan 8.190 nan 0.000 0.556