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 3jpy_1_A DATA FIRST_RESID 32 DATA SEQUENCE PPSIGIAVIL VGTSDEVAIK DAHEKDDFHH LSVVPRVELV AMNETDPKSI DATA SEQUENCE ITRIcDLMSD RKIQGVVFAD DTDQEAIAQI LDFISAQTLT PILGIHGGSS DATA SEQUENCE MIMADKDESS MFFQFGPSIE QQASVMLNIM EEYDWYIFSI VTTYFPGYQD DATA SEQUENCE FVNKIRSTIE NSFVGWELEE VLLLDMSXXX XXSKIQNQLK KLQSPIILLY DATA SEQUENCE CTKEEATYIF EVANSVGLTG YGYTWIVPSL VAGDTDTVPS EFPTGLISVS DATA SEQUENCE YDEWDYGLPA RVRDGIAIIT TAASDMLSEH SFIPEPKSSc YNTHEKRIYQ DATA SEQUENCE SNMLNRYLIN VTFEGRDLSF SEDGYQMHPK LVIILLNKER KWERVGKWKD DATA SEQUENCE KSLQMKYYVW PRM 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.317 177.300 0.028 0.000 1.155 32 P CA 0.000 63.118 63.100 0.029 0.000 0.800 32 P CB 0.000 31.716 31.700 0.027 0.000 0.726 33 P HA 0.549 nan 4.420 nan 0.000 0.286 33 P C -0.289 177.026 177.300 0.026 0.000 1.321 33 P CA -0.040 63.076 63.100 0.026 0.000 0.790 33 P CB 1.295 33.011 31.700 0.027 0.000 0.897 34 S N 1.877 117.590 115.700 0.021 0.000 2.718 34 S HA 0.783 5.254 4.470 0.001 0.000 0.300 34 S C -0.518 174.087 174.600 0.008 0.000 1.117 34 S CA -0.745 57.466 58.200 0.018 0.000 1.002 34 S CB 0.733 63.944 63.200 0.019 0.000 1.092 34 S HN 0.539 nan 8.310 nan 0.000 0.542 35 I N 1.202 121.772 120.570 0.000 0.000 2.675 35 I HA 0.400 4.570 4.170 0.001 0.000 0.284 35 I C -0.167 175.941 176.117 -0.015 0.000 1.285 35 I CA -0.421 60.874 61.300 -0.009 0.000 1.079 35 I CB 0.650 38.640 38.000 -0.018 0.000 1.318 35 I HN 0.758 nan 8.210 nan 0.000 0.439 36 G N 8.318 117.112 108.800 -0.010 0.000 2.361 36 G HA2 0.486 4.447 3.960 0.001 0.000 0.260 36 G HA3 0.486 4.447 3.960 0.001 0.000 0.260 36 G C -0.535 174.355 174.900 -0.016 0.000 1.261 36 G CA -0.243 44.851 45.100 -0.010 0.000 0.897 36 G HN 0.542 nan 8.290 nan 0.000 0.499 37 I N 1.501 122.060 120.570 -0.019 0.000 2.465 37 I HA 0.479 4.649 4.170 0.001 0.000 0.291 37 I C 0.241 176.354 176.117 -0.006 0.000 1.014 37 I CA -0.979 60.309 61.300 -0.020 0.000 1.093 37 I CB 2.197 40.171 38.000 -0.043 0.000 1.267 37 I HN 0.539 nan 8.210 nan 0.000 0.431 38 A N 6.250 129.074 122.820 0.005 0.000 2.276 38 A HA 0.683 5.003 4.320 0.001 0.000 0.316 38 A C -0.585 177.017 177.584 0.029 0.000 1.229 38 A CA -0.451 51.597 52.037 0.018 0.000 0.851 38 A CB 1.069 20.084 19.000 0.026 0.000 1.165 38 A HN 0.457 nan 8.150 nan 0.000 0.513 39 V N 5.126 125.051 119.914 0.019 0.000 2.311 39 V HA 0.266 4.386 4.120 0.001 0.000 0.275 39 V C -0.485 175.610 176.094 0.003 0.000 1.022 39 V CA -0.418 61.890 62.300 0.012 0.000 0.830 39 V CB 0.721 32.542 31.823 -0.003 0.000 1.012 39 V HN 0.674 nan 8.190 nan 0.000 0.452 40 I N 6.452 127.030 120.570 0.013 0.000 2.359 40 I HA 0.464 4.634 4.170 0.001 0.000 0.294 40 I C -0.176 175.798 176.117 -0.238 0.000 0.987 40 I CA -0.740 60.550 61.300 -0.016 0.000 1.225 40 I CB 1.500 39.626 38.000 0.210 0.000 1.366 40 I HN 0.425 nan 8.210 nan 0.000 0.466 41 L N 6.858 127.967 121.223 -0.191 0.000 2.470 41 L HA 0.465 4.805 4.340 0.001 0.000 0.253 41 L C 0.205 176.969 176.870 -0.176 0.000 1.163 41 L CA -0.457 54.244 54.840 -0.232 0.000 0.932 41 L CB 1.402 43.382 42.059 -0.132 0.000 1.213 41 L HN 0.523 nan 8.230 nan 0.000 0.485 42 V N 1.625 121.389 119.914 -0.249 0.000 2.427 42 V HA 0.623 4.743 4.120 0.001 0.000 0.268 42 V C 1.305 177.368 176.094 -0.052 0.000 1.046 42 V CA 0.836 63.085 62.300 -0.086 0.000 0.970 42 V CB 0.632 32.470 31.823 0.025 0.000 1.001 42 V HN 0.834 nan 8.190 nan 0.000 0.476 43 G N 2.883 111.672 108.800 -0.019 0.000 2.234 43 G HA2 -0.034 3.926 3.960 0.001 0.000 0.260 43 G HA3 -0.034 3.926 3.960 0.001 0.000 0.260 43 G C 0.635 175.535 174.900 -0.000 0.000 0.987 43 G CA 0.629 45.730 45.100 0.002 0.000 0.625 43 G HN 2.361 nan 8.290 nan 0.000 0.532 44 T N 0.782 115.322 114.554 -0.022 0.000 2.930 44 T HA 0.631 4.981 4.350 0.001 0.000 0.306 44 T C 0.914 175.602 174.700 -0.021 0.000 1.045 44 T CA 0.967 63.054 62.100 -0.022 0.000 1.134 44 T CB 0.183 69.015 68.868 -0.060 0.000 0.961 44 T HN 1.714 nan 8.240 nan 0.000 0.545 45 S N 2.823 118.515 115.700 -0.014 0.000 2.533 45 S HA 0.314 4.784 4.470 0.001 0.000 0.282 45 S C -0.087 174.499 174.600 -0.024 0.000 1.304 45 S CA -0.635 57.557 58.200 -0.013 0.000 1.063 45 S CB 0.423 63.620 63.200 -0.006 0.000 0.881 45 S HN 0.735 nan 8.310 nan 0.000 0.493 46 D N 1.518 121.906 120.400 -0.020 0.000 2.441 46 D HA 0.020 4.660 4.640 0.001 0.000 0.243 46 D C 0.858 177.146 176.300 -0.021 0.000 1.257 46 D CA -0.425 53.561 54.000 -0.023 0.000 1.027 46 D CB -0.096 40.694 40.800 -0.017 0.000 1.084 46 D HN 0.861 nan 8.370 nan 0.000 0.514 47 E N 0.558 120.741 120.200 -0.028 0.000 2.526 47 E HA 0.084 4.434 4.350 0.001 0.000 0.208 47 E C -0.444 176.139 176.600 -0.028 0.000 0.997 47 E CA -0.404 55.981 56.400 -0.026 0.000 0.961 47 E CB 0.494 30.175 29.700 -0.031 0.000 1.030 47 E HN 0.161 nan 8.360 nan 0.000 0.483 48 V N 1.999 121.894 119.914 -0.032 0.000 2.370 48 V HA 0.567 4.687 4.120 0.001 0.000 0.279 48 V C -0.090 175.995 176.094 -0.015 0.000 1.029 48 V CA -0.426 61.857 62.300 -0.027 0.000 0.870 48 V CB 1.181 32.981 31.823 -0.039 0.000 0.984 48 V HN 0.360 nan 8.190 nan 0.000 0.451 49 A N 6.256 129.072 122.820 -0.006 0.000 2.311 49 A HA 0.837 5.158 4.320 0.001 0.000 0.306 49 A C -0.971 176.618 177.584 0.009 0.000 1.189 49 A CA -0.404 51.633 52.037 -0.001 0.000 0.791 49 A CB 0.657 19.657 19.000 -0.001 0.000 1.172 49 A HN 0.655 nan 8.150 nan 0.000 0.481 50 I N 1.477 122.051 120.570 0.008 0.000 2.437 50 I HA 0.279 4.450 4.170 0.001 0.000 0.298 50 I C 0.594 176.717 176.117 0.010 0.000 0.984 50 I CA -0.403 60.909 61.300 0.020 0.000 1.214 50 I CB 1.822 39.833 38.000 0.019 0.000 1.365 50 I HN 0.665 nan 8.210 nan 0.000 0.469 51 K N 5.366 125.781 120.400 0.024 0.000 2.395 51 K HA -0.040 4.281 4.320 0.001 0.000 0.283 51 K C -0.030 176.557 176.600 -0.022 0.000 1.068 51 K CA -0.202 56.090 56.287 0.008 0.000 1.039 51 K CB 0.130 32.647 32.500 0.027 0.000 0.924 51 K HN 0.563 nan 8.250 nan 0.000 0.468 52 D N 4.291 124.652 120.400 -0.065 0.000 2.554 52 D HA -0.126 4.514 4.640 0.001 0.000 0.251 52 D C -0.660 175.539 176.300 -0.168 0.000 1.213 52 D CA 0.237 54.145 54.000 -0.153 0.000 0.900 52 D CB 0.456 41.131 40.800 -0.209 0.000 1.135 52 D HN 0.548 nan 8.370 nan 0.000 0.522 53 A N 4.773 127.518 122.820 -0.126 0.000 3.037 53 A HA 0.137 4.457 4.320 0.001 0.000 0.272 53 A C 0.638 178.212 177.584 -0.017 0.000 1.723 53 A CA -0.220 51.790 52.037 -0.044 0.000 1.413 53 A CB -0.413 18.588 19.000 0.002 0.000 1.112 53 A HN 0.798 nan 8.150 nan 0.000 0.606 54 H N 1.008 120.094 119.070 0.026 0.000 2.283 54 H HA 0.222 4.778 4.556 0.001 0.000 0.323 54 H C 1.538 176.880 175.328 0.023 0.000 1.088 54 H CA 0.560 56.621 56.048 0.022 0.000 1.511 54 H CB 0.123 29.896 29.762 0.018 0.000 1.473 54 H HN 0.613 nan 8.280 nan 0.000 0.564 55 E N 1.808 122.118 120.200 0.183 0.000 2.606 55 E HA 0.174 4.524 4.350 0.001 0.000 0.248 55 E C 0.498 177.148 176.600 0.083 0.000 1.005 55 E CA 0.390 56.850 56.400 0.100 0.000 0.946 55 E CB -0.621 29.125 29.700 0.077 0.000 0.928 55 E HN 0.607 nan 8.360 nan 0.000 0.494 56 K N 3.510 123.954 120.400 0.073 0.000 2.836 56 K HA 0.077 4.398 4.320 0.001 0.000 0.236 56 K C 0.153 176.795 176.600 0.070 0.000 1.015 56 K CA 0.277 56.605 56.287 0.069 0.000 1.194 56 K CB -0.866 31.671 32.500 0.061 0.000 1.002 56 K HN 0.736 nan 8.250 nan 0.000 0.479 57 D N 2.703 123.143 120.400 0.066 0.000 2.525 57 D HA -0.048 4.593 4.640 0.001 0.000 0.235 57 D C 0.214 176.565 176.300 0.085 0.000 1.137 57 D CA 0.339 54.377 54.000 0.064 0.000 0.868 57 D CB 0.863 41.688 40.800 0.042 0.000 1.180 57 D HN 0.743 nan 8.370 nan 0.000 0.465 58 D N 0.843 121.304 120.400 0.102 0.000 2.358 58 D HA 0.031 4.672 4.640 0.001 0.000 0.244 58 D C -0.577 175.823 176.300 0.166 0.000 1.163 58 D CA -0.462 53.627 54.000 0.149 0.000 0.945 58 D CB 0.598 41.499 40.800 0.169 0.000 1.152 58 D HN 0.254 nan 8.370 nan 0.000 0.451 59 F N 1.943 121.938 119.950 0.075 0.000 2.390 59 F HA 0.160 4.688 4.527 0.001 0.000 0.361 59 F C 0.718 176.634 175.800 0.193 0.000 1.124 59 F CA -0.505 57.566 58.000 0.117 0.000 1.149 59 F CB -0.179 38.887 39.000 0.110 0.000 1.160 59 F HN 0.444 nan 8.300 nan 0.000 0.501 60 H N 6.601 125.499 119.070 -0.288 0.000 2.557 60 H HA -0.238 4.319 4.556 0.001 0.000 0.319 60 H C -0.057 175.298 175.328 0.044 0.000 1.102 60 H CA 1.088 57.006 56.048 -0.218 0.000 1.126 60 H CB -1.460 28.230 29.762 -0.120 0.000 1.498 60 H HN 0.824 nan 8.280 nan 0.000 0.411 61 H N -2.759 116.401 119.070 0.149 0.000 2.692 61 H HA -0.160 4.397 4.556 0.001 0.000 0.316 61 H C 0.292 175.723 175.328 0.171 0.000 1.176 61 H CA 1.121 57.245 56.048 0.126 0.000 1.142 61 H CB -1.554 28.253 29.762 0.075 0.000 1.475 61 H HN 0.473 nan 8.280 nan 0.000 0.423 62 L N -0.930 120.487 121.223 0.322 0.000 2.334 62 L HA 0.460 4.800 4.340 0.001 0.000 0.273 62 L C 1.739 178.711 176.870 0.169 0.000 1.013 62 L CA 0.310 55.297 54.840 0.246 0.000 0.816 62 L CB 1.567 43.793 42.059 0.278 0.000 1.278 62 L HN 0.340 nan 8.230 nan 0.000 0.431 63 S N 1.933 117.699 115.700 0.110 0.000 2.399 63 S HA -0.001 4.469 4.470 0.001 0.000 0.231 63 S C 0.741 175.381 174.600 0.066 0.000 1.022 63 S CA 1.110 59.355 58.200 0.074 0.000 0.983 63 S CB -0.125 63.101 63.200 0.043 0.000 0.803 63 S HN 0.261 nan 8.310 nan 0.000 0.480 64 V N 2.274 122.224 119.914 0.060 0.000 2.370 64 V HA 0.364 4.484 4.120 0.001 0.000 0.283 64 V C -0.046 176.078 176.094 0.050 0.000 1.023 64 V CA -0.912 61.413 62.300 0.041 0.000 0.857 64 V CB 1.536 33.367 31.823 0.014 0.000 0.985 64 V HN 0.160 nan 8.190 nan 0.000 0.443 65 V N 8.815 128.762 119.914 0.055 0.000 2.439 65 V HA 0.197 4.317 4.120 0.001 0.000 0.271 65 V C -2.096 174.016 176.094 0.030 0.000 1.040 65 V CA -1.229 61.110 62.300 0.065 0.000 1.002 65 V CB 1.423 33.287 31.823 0.068 0.000 1.000 65 V HN 0.775 nan 8.190 nan 0.000 0.477 66 P HA 0.311 nan 4.420 nan 0.000 0.281 66 P C -0.267 177.035 177.300 0.003 0.000 1.286 66 P CA -0.126 62.954 63.100 -0.034 0.000 0.772 66 P CB 0.406 32.028 31.700 -0.130 0.000 0.862 67 R N 3.474 123.974 120.500 0.001 0.000 2.419 67 R HA 0.369 4.709 4.340 0.001 0.000 0.305 67 R C -0.230 176.070 176.300 -0.000 0.000 1.242 67 R CA -0.403 55.702 56.100 0.008 0.000 1.105 67 R CB -0.949 29.357 30.300 0.010 0.000 1.116 67 R HN 0.408 nan 8.270 nan 0.000 0.523 68 V N 1.962 121.878 119.914 0.004 0.000 2.385 68 V HA 0.543 4.663 4.120 0.001 0.000 0.269 68 V C 0.756 176.849 176.094 -0.002 0.000 1.043 68 V CA -0.329 61.971 62.300 0.000 0.000 0.906 68 V CB 1.180 33.010 31.823 0.012 0.000 0.995 68 V HN 0.900 nan 8.190 nan 0.000 0.467 69 E N 5.020 125.218 120.200 -0.002 0.000 2.081 69 E HA 0.579 4.929 4.350 0.001 0.000 0.276 69 E C -0.741 175.859 176.600 0.000 0.000 0.950 69 E CA -0.750 55.648 56.400 -0.002 0.000 0.776 69 E CB 1.601 31.301 29.700 0.000 0.000 1.094 69 E HN 0.677 nan 8.360 nan 0.000 0.402 70 L N 2.688 123.908 121.223 -0.004 0.000 2.395 70 L HA 0.639 4.980 4.340 0.001 0.000 0.269 70 L C -0.550 176.318 176.870 -0.003 0.000 1.133 70 L CA -0.332 54.505 54.840 -0.005 0.000 0.812 70 L CB 1.630 43.684 42.059 -0.009 0.000 1.125 70 L HN 0.390 nan 8.230 nan 0.000 0.452 71 V N 4.254 124.165 119.914 -0.005 0.000 2.697 71 V HA 0.648 4.768 4.120 0.001 0.000 0.300 71 V C -0.481 175.606 176.094 -0.010 0.000 1.115 71 V CA -0.361 61.939 62.300 0.001 0.000 0.912 71 V CB 1.467 33.300 31.823 0.017 0.000 1.024 71 V HN 0.960 nan 8.190 nan 0.000 0.431 72 A N 4.833 127.647 122.820 -0.009 0.000 2.644 72 A HA 0.842 5.163 4.320 0.001 0.000 0.343 72 A C 0.312 177.894 177.584 -0.005 0.000 1.324 72 A CA 0.010 52.036 52.037 -0.018 0.000 0.846 72 A CB 0.778 19.766 19.000 -0.019 0.000 1.128 72 A HN 1.524 nan 8.150 nan 0.000 0.484 73 M N 1.125 120.726 119.600 0.002 0.000 2.252 73 M HA 0.241 4.721 4.480 0.001 0.000 0.333 73 M C 0.879 177.186 176.300 0.012 0.000 1.111 73 M CA 0.752 56.063 55.300 0.019 0.000 1.140 73 M CB -0.802 31.825 32.600 0.044 0.000 1.538 73 M HN 0.852 nan 8.290 nan 0.000 0.448 74 N N 0.957 119.666 118.700 0.016 0.000 2.420 74 N HA 0.179 4.919 4.740 0.001 0.000 0.185 74 N C 0.847 176.368 175.510 0.019 0.000 1.033 74 N CA 1.368 54.425 53.050 0.013 0.000 0.879 74 N CB 0.078 38.572 38.487 0.011 0.000 1.071 74 N HN 0.989 nan 8.380 nan 0.000 0.437 75 E N -0.465 119.749 120.200 0.023 0.000 2.392 75 E HA 0.225 4.576 4.350 0.001 0.000 0.264 75 E C 0.624 177.246 176.600 0.038 0.000 1.024 75 E CA 0.441 56.857 56.400 0.026 0.000 0.903 75 E CB -0.149 29.566 29.700 0.025 0.000 0.963 75 E HN 0.508 nan 8.360 nan 0.000 0.432 76 T N -1.585 112.992 114.554 0.038 0.000 3.145 76 T HA 0.140 4.491 4.350 0.001 0.000 0.281 76 T C 0.022 174.754 174.700 0.053 0.000 1.003 76 T CA 0.223 62.354 62.100 0.052 0.000 0.901 76 T CB -0.218 68.677 68.868 0.045 0.000 1.112 76 T HN 0.649 nan 8.240 nan 0.000 0.535 77 D N 1.662 122.086 120.400 0.039 0.000 2.345 77 D HA 0.190 4.831 4.640 0.001 0.000 0.247 77 D C -1.936 174.384 176.300 0.034 0.000 1.108 77 D CA -1.885 52.134 54.000 0.031 0.000 0.894 77 D CB 1.613 42.425 40.800 0.019 0.000 1.203 77 D HN -0.047 nan 8.370 nan 0.000 0.430 78 P HA -0.219 nan 4.420 nan 0.000 0.216 78 P C 1.534 178.837 177.300 0.006 0.000 1.153 78 P CA 2.995 66.100 63.100 0.009 0.000 0.858 78 P CB -0.058 31.636 31.700 -0.010 0.000 0.789 79 K N -0.203 120.200 120.400 0.006 0.000 2.020 79 K HA -0.211 4.110 4.320 0.001 0.000 0.212 79 K C 2.305 178.919 176.600 0.023 0.000 1.050 79 K CA 2.558 58.850 56.287 0.010 0.000 0.929 79 K CB -1.919 30.584 32.500 0.004 0.000 0.714 79 K HN 0.139 nan 8.250 nan 0.000 0.443 80 S N 0.549 116.266 115.700 0.028 0.000 2.383 80 S HA -0.051 4.419 4.470 0.001 0.000 0.229 80 S C 2.063 176.691 174.600 0.047 0.000 1.030 80 S CA 1.425 59.647 58.200 0.036 0.000 1.002 80 S CB -0.413 62.809 63.200 0.036 0.000 0.829 80 S HN 0.507 nan 8.310 nan 0.000 0.467 81 I N 0.642 121.242 120.570 0.051 0.000 2.202 81 I HA -0.131 4.039 4.170 0.001 0.000 0.242 81 I C 2.320 178.451 176.117 0.025 0.000 1.091 81 I CA 0.896 62.233 61.300 0.062 0.000 1.368 81 I CB -0.383 37.658 38.000 0.069 0.000 1.058 81 I HN 0.251 nan 8.210 nan 0.000 0.410 82 I N 0.979 121.557 120.570 0.013 0.000 2.286 82 I HA -0.258 3.912 4.170 0.001 0.000 0.248 82 I C 2.357 178.507 176.117 0.055 0.000 1.115 82 I CA 1.991 63.303 61.300 0.020 0.000 1.392 82 I CB -0.477 37.551 38.000 0.047 0.000 1.065 82 I HN 0.132 nan 8.210 nan 0.000 0.418 83 T N 0.391 114.985 114.554 0.066 0.000 2.708 83 T HA -0.192 4.158 4.350 0.001 0.000 0.266 83 T C 2.046 176.781 174.700 0.058 0.000 1.037 83 T CA 1.732 63.879 62.100 0.077 0.000 1.146 83 T CB -0.334 68.568 68.868 0.057 0.000 0.865 83 T HN 0.221 nan 8.240 nan 0.000 0.435 84 R N 1.156 121.684 120.500 0.048 0.000 2.075 84 R HA 0.146 4.486 4.340 0.001 0.000 0.232 84 R C 2.239 178.560 176.300 0.036 0.000 1.126 84 R CA 1.204 57.331 56.100 0.045 0.000 0.963 84 R CB -0.929 29.403 30.300 0.054 0.000 0.858 84 R HN 0.457 nan 8.270 nan 0.000 0.435 85 I N -0.594 119.993 120.570 0.027 0.000 2.179 85 I HA -0.346 3.824 4.170 0.001 0.000 0.242 85 I C 2.208 178.310 176.117 -0.026 0.000 1.088 85 I CA 1.201 62.503 61.300 0.003 0.000 1.357 85 I CB -0.363 37.616 38.000 -0.035 0.000 1.051 85 I HN 0.209 nan 8.210 nan 0.000 0.409 86 c N 0.557 119.138 118.600 -0.032 0.000 2.436 86 c HA -0.166 4.405 4.570 0.001 0.000 0.277 86 c C 2.535 176.617 174.090 -0.012 0.000 1.241 86 c CA 0.738 57.030 56.329 -0.062 0.000 1.721 86 c CB -0.949 41.524 42.510 -0.061 0.000 2.043 86 c HN 0.515 nan 8.230 nan 0.000 0.472 87 D N 0.597 121.015 120.400 0.029 0.000 2.126 87 D HA -0.158 4.482 4.640 0.001 0.000 0.190 87 D C 1.890 178.199 176.300 0.015 0.000 1.001 87 D CA 1.247 55.267 54.000 0.034 0.000 0.841 87 D CB -0.695 40.129 40.800 0.039 0.000 0.949 87 D HN 0.327 nan 8.370 nan 0.000 0.446 88 L N 0.480 121.709 121.223 0.010 0.000 2.081 88 L HA -0.164 4.176 4.340 0.001 0.000 0.212 88 L C 2.201 179.067 176.870 -0.006 0.000 1.080 88 L CA 1.636 56.479 54.840 0.006 0.000 0.754 88 L CB -0.491 41.575 42.059 0.011 0.000 0.893 88 L HN 0.061 nan 8.230 nan 0.000 0.433 89 M N -1.213 118.374 119.600 -0.022 0.000 2.374 89 M HA -0.104 4.376 4.480 0.001 0.000 0.264 89 M C 2.157 178.440 176.300 -0.029 0.000 1.067 89 M CA 1.453 56.732 55.300 -0.036 0.000 1.103 89 M CB -0.408 32.150 32.600 -0.070 0.000 1.402 89 M HN 0.629 nan 8.290 nan 0.000 0.444 90 S N -0.558 115.131 115.700 -0.017 0.000 2.456 90 S HA -0.045 4.425 4.470 0.001 0.000 0.224 90 S C 1.277 175.877 174.600 -0.000 0.000 1.035 90 S CA 0.492 58.688 58.200 -0.007 0.000 0.940 90 S CB -0.153 63.050 63.200 0.006 0.000 0.799 90 S HN 0.318 nan 8.310 nan 0.000 0.508 91 D N 2.491 122.893 120.400 0.003 0.000 2.084 91 D HA 0.130 4.770 4.640 0.001 0.000 0.196 91 D C 1.534 177.836 176.300 0.004 0.000 0.985 91 D CA 1.671 55.675 54.000 0.006 0.000 0.826 91 D CB -0.498 40.307 40.800 0.009 0.000 0.978 91 D HN 0.625 nan 8.370 nan 0.000 0.456 92 R N 0.354 120.855 120.500 0.001 0.000 2.797 92 R HA 0.714 5.054 4.340 0.001 0.000 0.251 92 R C 0.179 176.477 176.300 -0.004 0.000 1.107 92 R CA -0.159 55.941 56.100 0.001 0.000 1.084 92 R CB -0.560 29.742 30.300 0.002 0.000 1.205 92 R HN 0.158 nan 8.270 nan 0.000 0.515 93 K N 1.534 121.933 120.400 -0.002 0.000 2.290 93 K HA 0.608 4.928 4.320 0.001 0.000 0.250 93 K C -0.458 176.137 176.600 -0.008 0.000 1.092 93 K CA -0.258 56.025 56.287 -0.005 0.000 1.006 93 K CB -0.391 32.108 32.500 -0.001 0.000 1.549 93 K HN 0.543 nan 8.250 nan 0.000 0.436 94 I N 1.881 122.443 120.570 -0.014 0.000 2.377 94 I HA 0.204 4.374 4.170 0.001 0.000 0.293 94 I C 0.757 176.862 176.117 -0.021 0.000 0.987 94 I CA -0.469 60.822 61.300 -0.016 0.000 1.185 94 I CB 2.254 40.243 38.000 -0.018 0.000 1.341 94 I HN 0.683 nan 8.210 nan 0.000 0.455 95 Q N 4.803 124.593 119.800 -0.017 0.000 2.139 95 Q HA 0.398 4.738 4.340 0.001 0.000 0.219 95 Q C 0.206 176.199 176.000 -0.012 0.000 0.805 95 Q CA -0.416 55.377 55.803 -0.017 0.000 1.024 95 Q CB 1.737 30.468 28.738 -0.012 0.000 1.163 95 Q HN 0.854 nan 8.270 nan 0.000 0.485 96 G N -0.009 108.784 108.800 -0.011 0.000 2.442 96 G HA2 0.426 4.387 3.960 0.001 0.000 0.296 96 G HA3 0.426 4.387 3.960 0.001 0.000 0.296 96 G C -1.785 173.119 174.900 0.005 0.000 1.564 96 G CA -0.450 44.650 45.100 0.000 0.000 0.828 96 G HN -0.059 nan 8.290 nan 0.000 0.571 97 V N 0.822 120.750 119.914 0.023 0.000 2.525 97 V HA 0.551 4.671 4.120 0.001 0.000 0.299 97 V C -0.148 175.990 176.094 0.074 0.000 1.034 97 V CA -0.786 61.542 62.300 0.046 0.000 0.863 97 V CB 1.667 33.517 31.823 0.045 0.000 0.999 97 V HN 0.726 nan 8.190 nan 0.000 0.423 98 V N 5.596 125.552 119.914 0.069 0.000 2.383 98 V HA 0.506 4.626 4.120 0.001 0.000 0.275 98 V C -0.624 175.549 176.094 0.132 0.000 1.036 98 V CA -0.352 61.991 62.300 0.071 0.000 0.889 98 V CB 1.303 33.143 31.823 0.027 0.000 0.985 98 V HN 0.728 nan 8.190 nan 0.000 0.459 99 F N 4.544 124.489 119.950 -0.008 0.000 2.539 99 F HA 0.819 5.346 4.527 0.001 0.000 0.318 99 F C -0.085 175.739 175.800 0.039 0.000 1.135 99 F CA -0.365 57.645 58.000 0.017 0.000 0.915 99 F CB 1.391 40.407 39.000 0.027 0.000 1.176 99 F HN 0.580 nan 8.300 nan 0.000 0.440 100 A N 4.306 126.736 122.820 -0.651 0.000 2.454 100 A HA 0.747 5.067 4.320 0.001 0.000 0.302 100 A C -1.802 175.453 177.584 -0.548 0.000 1.079 100 A CA -0.485 51.344 52.037 -0.347 0.000 0.731 100 A CB 1.502 20.437 19.000 -0.109 0.000 1.299 100 A HN 0.842 nan 8.150 nan 0.000 0.413 101 D N -1.407 118.921 120.400 -0.119 0.000 2.661 101 D HA 0.519 5.159 4.640 0.001 0.000 0.228 101 D C -0.138 176.227 176.300 0.109 0.000 1.210 101 D CA 0.219 54.192 54.000 -0.045 0.000 0.826 101 D CB 1.347 42.178 40.800 0.052 0.000 1.542 101 D HN 0.366 nan 8.370 nan 0.000 0.447 102 D N -0.040 120.413 120.400 0.088 0.000 2.388 102 D HA 0.274 4.914 4.640 0.001 0.000 0.221 102 D C 0.833 177.167 176.300 0.057 0.000 1.133 102 D CA 0.431 54.499 54.000 0.113 0.000 0.831 102 D CB 0.043 40.910 40.800 0.112 0.000 0.962 102 D HN 0.608 nan 8.370 nan 0.000 0.502 103 T N -3.822 110.761 114.554 0.049 0.000 2.862 103 T HA 0.407 4.758 4.350 0.001 0.000 0.276 103 T C -0.236 174.478 174.700 0.024 0.000 0.974 103 T CA -0.344 61.780 62.100 0.040 0.000 0.966 103 T CB 1.651 70.551 68.868 0.054 0.000 1.072 103 T HN -0.148 nan 8.240 nan 0.000 0.538 104 D N 0.652 121.064 120.400 0.019 0.000 2.755 104 D HA 0.186 4.826 4.640 0.001 0.000 0.257 104 D C -0.278 176.031 176.300 0.016 0.000 1.291 104 D CA -0.144 53.860 54.000 0.008 0.000 0.836 104 D CB 0.223 41.022 40.800 -0.001 0.000 1.059 104 D HN 0.569 nan 8.370 nan 0.000 0.486 105 Q N 1.215 121.037 119.800 0.036 0.000 2.465 105 Q HA 0.113 4.453 4.340 0.001 0.000 0.237 105 Q C 1.156 177.194 176.000 0.064 0.000 1.051 105 Q CA -0.416 55.414 55.803 0.044 0.000 0.874 105 Q CB 1.328 30.094 28.738 0.047 0.000 1.207 105 Q HN 0.099 nan 8.270 nan 0.000 0.508 106 E N 2.472 122.714 120.200 0.071 0.000 2.267 106 E HA -0.266 4.084 4.350 0.001 0.000 0.197 106 E C 1.318 177.979 176.600 0.103 0.000 0.998 106 E CA 1.352 57.821 56.400 0.115 0.000 0.830 106 E CB -0.209 29.599 29.700 0.180 0.000 0.751 106 E HN 0.619 nan 8.360 nan 0.000 0.491 107 A N 2.866 125.729 122.820 0.072 0.000 1.896 107 A HA -0.240 4.080 4.320 0.001 0.000 0.220 107 A C 2.376 179.958 177.584 -0.004 0.000 1.206 107 A CA 2.246 54.303 52.037 0.032 0.000 0.647 107 A CB -0.785 18.228 19.000 0.021 0.000 0.828 107 A HN 0.329 nan 8.150 nan 0.000 0.455 108 I N -0.196 120.380 120.570 0.010 0.000 2.290 108 I HA -0.364 3.806 4.170 0.001 0.000 0.253 108 I C 2.783 178.818 176.117 -0.137 0.000 1.112 108 I CA 1.726 63.002 61.300 -0.041 0.000 1.377 108 I CB -1.722 36.313 38.000 0.059 0.000 1.060 108 I HN 0.415 nan 8.210 nan 0.000 0.428 109 A N 0.562 123.353 122.820 -0.049 0.000 1.898 109 A HA -0.186 4.135 4.320 0.001 0.000 0.216 109 A C 2.287 179.713 177.584 -0.263 0.000 1.181 109 A CA 1.093 53.081 52.037 -0.080 0.000 0.620 109 A CB -0.393 18.709 19.000 0.170 0.000 0.819 109 A HN 0.416 nan 8.150 nan 0.000 0.442 110 Q N -0.461 119.255 119.800 -0.139 0.000 2.014 110 Q HA -0.254 4.086 4.340 0.001 0.000 0.207 110 Q C 2.467 178.352 176.000 -0.191 0.000 0.993 110 Q CA 2.215 57.931 55.803 -0.146 0.000 0.850 110 Q CB -1.502 27.176 28.738 -0.099 0.000 0.916 110 Q HN 0.784 nan 8.270 nan 0.000 0.417 111 I N 0.698 121.157 120.570 -0.185 0.000 2.248 111 I HA -0.204 3.967 4.170 0.001 0.000 0.248 111 I C 2.532 178.500 176.117 -0.249 0.000 1.107 111 I CA 1.598 62.808 61.300 -0.151 0.000 1.373 111 I CB -1.302 36.616 38.000 -0.137 0.000 1.055 111 I HN 0.162 nan 8.210 nan 0.000 0.418 112 L N -0.473 120.446 121.223 -0.507 0.000 2.095 112 L HA -0.119 4.221 4.340 0.001 0.000 0.204 112 L C 2.494 178.854 176.870 -0.850 0.000 1.080 112 L CA 1.920 56.303 54.840 -0.761 0.000 0.759 112 L CB -0.710 40.695 42.059 -1.089 0.000 0.914 112 L HN 0.545 nan 8.230 nan 0.000 0.439 113 D N 0.107 119.947 120.400 -0.933 0.000 2.144 113 D HA -0.247 4.393 4.640 0.001 0.000 0.199 113 D C 2.002 178.150 176.300 -0.254 0.000 0.984 113 D CA 1.016 54.681 54.000 -0.557 0.000 0.834 113 D CB 0.001 40.630 40.800 -0.285 0.000 0.955 113 D HN 0.155 nan 8.370 nan 0.000 0.465 114 F N 1.098 120.855 119.950 -0.321 0.000 2.069 114 F HA -0.128 4.399 4.527 0.000 0.000 0.298 114 F C 2.050 177.714 175.800 -0.228 0.000 1.113 114 F CA 1.468 59.333 58.000 -0.225 0.000 1.214 114 F CB -0.518 38.369 39.000 -0.188 0.000 0.978 114 F HN 0.002 nan 8.300 nan 0.000 0.474 115 I N -0.705 119.643 120.570 -0.371 0.000 2.226 115 I HA -0.314 3.857 4.170 0.001 0.000 0.245 115 I C 2.723 178.611 176.117 -0.381 0.000 1.100 115 I CA 1.542 62.572 61.300 -0.449 0.000 1.374 115 I CB -0.891 36.924 38.000 -0.307 0.000 1.057 115 I HN 0.252 nan 8.210 nan 0.000 0.413 116 S N 0.737 116.246 115.700 -0.318 0.000 2.383 116 S HA -0.193 4.277 4.470 0.001 0.000 0.229 116 S C 2.163 176.620 174.600 -0.239 0.000 1.030 116 S CA 1.461 59.519 58.200 -0.237 0.000 1.002 116 S CB -0.159 62.927 63.200 -0.190 0.000 0.829 116 S HN 0.467 nan 8.310 nan 0.000 0.467 117 A N 1.270 123.924 122.820 -0.277 0.000 1.841 117 A HA -0.047 4.273 4.320 0.001 0.000 0.214 117 A C 2.230 179.641 177.584 -0.289 0.000 1.195 117 A CA 1.399 53.287 52.037 -0.249 0.000 0.611 117 A CB -0.883 17.987 19.000 -0.216 0.000 0.835 117 A HN 0.548 nan 8.150 nan 0.000 0.443 118 Q N -0.345 119.181 119.800 -0.456 0.000 2.234 118 Q HA -0.140 4.200 4.340 0.001 0.000 0.206 118 Q C 1.859 177.684 176.000 -0.292 0.000 0.980 118 Q CA 2.045 57.587 55.803 -0.434 0.000 0.869 118 Q CB -0.665 27.667 28.738 -0.677 0.000 0.912 118 Q HN 0.852 nan 8.270 nan 0.000 0.436 119 T N -3.825 110.567 114.554 -0.270 0.000 3.084 119 T HA 0.280 4.631 4.350 0.001 0.000 0.270 119 T C 0.772 175.386 174.700 -0.143 0.000 1.008 119 T CA -0.308 61.675 62.100 -0.195 0.000 0.900 119 T CB 0.041 68.789 68.868 -0.199 0.000 1.084 119 T HN 0.217 nan 8.240 nan 0.000 0.538 120 L N 1.251 122.388 121.223 -0.144 0.000 3.781 120 L HA -0.154 4.187 4.340 0.001 0.000 0.426 120 L C -0.274 176.545 176.870 -0.085 0.000 1.197 120 L CA 0.386 55.162 54.840 -0.106 0.000 0.907 120 L CB -2.451 39.559 42.059 -0.083 0.000 1.812 120 L HN 0.404 nan 8.230 nan 0.000 0.956 121 T N -0.499 113.998 114.554 -0.096 0.000 2.829 121 T HA 0.513 4.863 4.350 0.001 0.000 0.280 121 T C -2.356 172.315 174.700 -0.049 0.000 0.999 121 T CA -1.315 60.745 62.100 -0.066 0.000 0.983 121 T CB 2.106 70.927 68.868 -0.077 0.000 0.968 121 T HN -0.149 nan 8.240 nan 0.000 0.446 122 P HA 0.403 nan 4.420 nan 0.000 0.271 122 P C -0.870 176.459 177.300 0.049 0.000 1.220 122 P CA -0.141 62.997 63.100 0.063 0.000 0.768 122 P CB 0.402 32.179 31.700 0.129 0.000 0.848 123 I N 3.538 124.148 120.570 0.066 0.000 2.534 123 I HA 0.297 4.467 4.170 0.001 0.000 0.288 123 I C -0.456 175.749 176.117 0.146 0.000 1.077 123 I CA -0.730 60.627 61.300 0.096 0.000 1.051 123 I CB 1.689 39.724 38.000 0.059 0.000 1.234 123 I HN 0.030 nan 8.210 nan 0.000 0.425 124 L N 5.515 126.791 121.223 0.089 0.000 2.282 124 L HA 0.527 4.867 4.340 0.001 0.000 0.288 124 L C 0.699 177.551 176.870 -0.031 0.000 1.033 124 L CA -0.651 54.157 54.840 -0.054 0.000 0.807 124 L CB 1.475 43.466 42.059 -0.114 0.000 1.209 124 L HN 0.704 nan 8.230 nan 0.000 0.423 125 G N 3.379 112.102 108.800 -0.129 0.000 2.807 125 G HA2 0.288 4.248 3.960 0.001 0.000 0.316 125 G HA3 0.288 4.248 3.960 0.001 0.000 0.316 125 G C 0.730 175.568 174.900 -0.103 0.000 0.900 125 G CA -0.291 44.840 45.100 0.052 0.000 1.499 125 G HN 0.750 nan 8.290 nan 0.000 0.484 126 I N 0.412 120.936 120.570 -0.076 0.000 2.761 126 I HA 0.082 4.252 4.170 0.001 0.000 0.261 126 I C 0.639 176.953 176.117 0.330 0.000 1.198 126 I CA 0.735 61.953 61.300 -0.138 0.000 1.482 126 I CB 0.177 38.158 38.000 -0.032 0.000 1.100 126 I HN 0.505 nan 8.210 nan 0.000 0.445 127 H N -0.908 118.256 119.070 0.156 0.000 3.041 127 H HA 0.316 4.873 4.556 0.001 0.000 0.293 127 H C -0.427 174.985 175.328 0.141 0.000 1.166 127 H CA 0.365 56.525 56.048 0.186 0.000 1.529 127 H CB 0.526 30.380 29.762 0.153 0.000 2.050 127 H HN 0.261 nan 8.280 nan 0.000 0.505 128 G N 1.486 110.080 108.800 -0.343 0.000 2.472 128 G HA2 -0.128 3.833 3.960 0.001 0.000 0.205 128 G HA3 -0.128 3.833 3.960 0.001 0.000 0.205 128 G C 0.980 175.870 174.900 -0.017 0.000 1.270 128 G CA 0.196 45.171 45.100 -0.208 0.000 0.974 128 G HN 1.171 nan 8.290 nan 0.000 0.542 129 G N -0.067 108.764 108.800 0.053 0.000 2.442 129 G HA2 0.095 4.055 3.960 0.001 0.000 0.219 129 G HA3 0.095 4.055 3.960 0.001 0.000 0.219 129 G C 2.289 177.278 174.900 0.149 0.000 1.141 129 G CA 2.631 47.783 45.100 0.087 0.000 0.763 129 G HN 2.158 nan 8.290 nan 0.000 0.554 130 S N 0.592 116.431 115.700 0.231 0.000 2.493 130 S HA -0.066 4.405 4.470 0.001 0.000 0.243 130 S C 1.907 176.678 174.600 0.284 0.000 0.991 130 S CA 1.731 60.116 58.200 0.308 0.000 0.957 130 S CB -0.273 63.258 63.200 0.552 0.000 0.756 130 S HN 0.668 nan 8.310 nan 0.000 0.521 131 S N -0.606 115.201 115.700 0.178 0.000 2.780 131 S HA 0.441 4.911 4.470 0.001 0.000 0.248 131 S C 0.163 174.825 174.600 0.104 0.000 1.036 131 S CA -0.777 57.493 58.200 0.118 0.000 1.061 131 S CB -0.395 62.867 63.200 0.104 0.000 1.037 131 S HN 0.432 nan 8.310 nan 0.000 0.584 132 M N 3.051 122.722 119.600 0.119 0.000 2.219 132 M HA 0.331 4.812 4.480 0.001 0.000 0.353 132 M C 0.263 176.682 176.300 0.199 0.000 1.304 132 M CA -0.504 54.863 55.300 0.111 0.000 1.115 132 M CB 0.497 33.146 32.600 0.081 0.000 1.664 132 M HN 0.370 nan 8.290 nan 0.000 0.459 133 I N 1.290 121.984 120.570 0.208 0.000 3.192 133 I HA -0.133 4.037 4.170 0.001 0.000 0.314 133 I C -0.160 176.188 176.117 0.384 0.000 1.243 133 I CA 0.824 62.330 61.300 0.342 0.000 1.404 133 I CB -0.375 37.765 38.000 0.234 0.000 1.374 133 I HN 0.767 nan 8.210 nan 0.000 0.522 134 M N 6.893 126.706 119.600 0.355 0.000 2.080 134 M HA 0.456 4.936 4.480 0.001 0.000 0.350 134 M C 0.990 177.400 176.300 0.183 0.000 1.143 134 M CA -0.302 55.126 55.300 0.212 0.000 1.064 134 M CB 1.351 34.061 32.600 0.184 0.000 1.429 134 M HN 0.945 nan 8.290 nan 0.000 0.418 135 A N 3.813 126.712 122.820 0.132 0.000 1.824 135 A HA -0.093 4.228 4.320 0.001 0.000 0.215 135 A C 0.562 178.177 177.584 0.053 0.000 1.209 135 A CA 1.573 53.689 52.037 0.131 0.000 0.614 135 A CB -0.595 18.437 19.000 0.053 0.000 0.852 135 A HN 0.832 nan 8.150 nan 0.000 0.447 136 D N 0.027 120.421 120.400 -0.009 0.000 2.443 136 D HA 0.302 4.943 4.640 0.001 0.000 0.239 136 D C -0.248 176.038 176.300 -0.023 0.000 1.136 136 D CA 0.350 54.337 54.000 -0.023 0.000 0.879 136 D CB 0.964 41.740 40.800 -0.039 0.000 1.195 136 D HN 0.313 nan 8.370 nan 0.000 0.443 137 K N 1.243 121.622 120.400 -0.035 0.000 2.561 137 K HA 0.065 4.385 4.320 0.001 0.000 0.254 137 K C -1.507 175.061 176.600 -0.053 0.000 0.942 137 K CA -0.741 55.520 56.287 -0.043 0.000 0.818 137 K CB 1.637 34.089 32.500 -0.080 0.000 1.306 137 K HN 0.323 nan 8.250 nan 0.000 0.435 138 D N 3.344 123.715 120.400 -0.049 0.000 2.455 138 D HA -0.048 4.593 4.640 0.001 0.000 0.265 138 D C 0.923 177.179 176.300 -0.073 0.000 1.284 138 D CA 0.974 54.943 54.000 -0.052 0.000 0.944 138 D CB 1.128 41.898 40.800 -0.049 0.000 1.121 138 D HN 0.727 nan 8.370 nan 0.000 0.525 139 E N 2.049 122.214 120.200 -0.059 0.000 2.510 139 E HA -0.137 4.214 4.350 0.001 0.000 0.202 139 E C 1.658 178.220 176.600 -0.063 0.000 1.072 139 E CA 1.187 57.551 56.400 -0.060 0.000 0.883 139 E CB -0.466 29.211 29.700 -0.038 0.000 0.818 139 E HN 0.507 nan 8.360 nan 0.000 0.548 140 S N -0.711 114.947 115.700 -0.071 0.000 2.502 140 S HA 0.111 4.582 4.470 0.001 0.000 0.215 140 S C 1.458 175.996 174.600 -0.104 0.000 1.009 140 S CA 0.507 58.664 58.200 -0.072 0.000 0.908 140 S CB -0.198 62.965 63.200 -0.061 0.000 0.801 140 S HN 0.678 nan 8.310 nan 0.000 0.505 141 S N 1.269 116.890 115.700 -0.133 0.000 2.614 141 S HA 0.515 4.985 4.470 0.001 0.000 0.265 141 S C 0.170 174.614 174.600 -0.261 0.000 1.303 141 S CA -0.729 57.366 58.200 -0.176 0.000 1.000 141 S CB 0.383 63.485 63.200 -0.164 0.000 0.935 141 S HN 0.404 nan 8.310 nan 0.000 0.551 142 M N 2.201 121.625 119.600 -0.293 0.000 3.043 142 M HA 0.338 4.818 4.480 0.001 0.000 0.309 142 M C -0.913 174.983 176.300 -0.674 0.000 1.202 142 M CA -0.248 54.755 55.300 -0.496 0.000 0.869 142 M CB 0.088 32.607 32.600 -0.135 0.000 1.327 142 M HN 0.644 nan 8.290 nan 0.000 0.524 143 F N 1.964 121.420 119.950 -0.825 0.000 2.390 143 F HA 0.569 5.096 4.527 0.001 0.000 0.361 143 F C -1.300 173.963 175.800 -0.895 0.000 1.124 143 F CA -1.342 56.264 58.000 -0.657 0.000 1.149 143 F CB 0.275 39.025 39.000 -0.417 0.000 1.160 143 F HN 0.019 nan 8.300 nan 0.000 0.501 144 F N 3.812 123.292 119.950 -0.783 0.000 2.480 144 F HA 0.543 5.070 4.527 0.000 0.000 0.329 144 F C -0.119 175.064 175.800 -1.028 0.000 1.091 144 F CA -0.756 56.605 58.000 -1.064 0.000 0.972 144 F CB 1.688 39.785 39.000 -1.504 0.000 1.150 144 F HN 0.335 nan 8.300 nan 0.000 0.467 145 Q N 2.034 121.487 119.800 -0.577 0.000 2.342 145 Q HA 0.473 4.813 4.340 0.001 0.000 0.267 145 Q C -1.048 175.075 176.000 0.206 0.000 1.038 145 Q CA -0.781 54.848 55.803 -0.289 0.000 0.832 145 Q CB 2.638 31.226 28.738 -0.251 0.000 1.323 145 Q HN 0.576 nan 8.270 nan 0.000 0.448 146 F N 0.724 120.726 119.950 0.087 0.000 2.410 146 F HA 0.450 4.977 4.527 0.000 0.000 0.334 146 F C 1.299 176.909 175.800 -0.317 0.000 1.134 146 F CA 0.301 58.325 58.000 0.041 0.000 1.227 146 F CB 0.983 40.065 39.000 0.136 0.000 1.194 146 F HN 0.812 nan 8.300 nan 0.000 0.571 147 G N 2.323 110.865 108.800 -0.430 0.000 2.757 147 G HA2 -0.145 3.815 3.960 0.001 0.000 0.638 147 G HA3 -0.145 3.815 3.960 0.001 0.000 0.638 147 G C -3.259 171.563 174.900 -0.131 0.000 1.344 147 G CA -1.479 43.222 45.100 -0.665 0.000 0.855 147 G HN 0.422 nan 8.290 nan 0.000 0.537 148 P HA 0.429 nan 4.420 nan 0.000 0.274 148 P C 0.448 177.575 177.300 -0.288 0.000 1.231 148 P CA 0.177 63.204 63.100 -0.122 0.000 0.790 148 P CB 1.119 32.743 31.700 -0.127 0.000 0.951 149 S N -0.175 115.271 115.700 -0.424 0.000 2.624 149 S HA 0.320 4.791 4.470 0.001 0.000 0.263 149 S C 1.956 176.259 174.600 -0.495 0.000 1.287 149 S CA -0.107 57.526 58.200 -0.945 0.000 0.990 149 S CB -0.611 62.258 63.200 -0.552 0.000 0.950 149 S HN 0.402 nan 8.310 nan 0.000 0.561 150 I N 0.278 120.594 120.570 -0.423 0.000 2.264 150 I HA 0.008 4.179 4.170 0.001 0.000 0.248 150 I C 2.887 179.013 176.117 0.015 0.000 1.111 150 I CA 2.667 63.944 61.300 -0.038 0.000 1.382 150 I CB -2.593 35.462 38.000 0.092 0.000 1.060 150 I HN 1.033 nan 8.210 nan 0.000 0.418 151 E N 0.063 120.222 120.200 -0.069 0.000 2.028 151 E HA -0.140 4.211 4.350 0.001 0.000 0.190 151 E C 2.359 178.908 176.600 -0.085 0.000 0.984 151 E CA 2.650 59.015 56.400 -0.057 0.000 0.800 151 E CB -1.400 28.272 29.700 -0.046 0.000 0.758 151 E HN 1.174 nan 8.360 nan 0.000 0.448 152 Q N 0.438 120.168 119.800 -0.117 0.000 2.077 152 Q HA -0.331 4.009 4.340 0.001 0.000 0.206 152 Q C 2.279 178.139 176.000 -0.233 0.000 0.989 152 Q CA 2.282 57.986 55.803 -0.164 0.000 0.853 152 Q CB -0.895 27.750 28.738 -0.156 0.000 0.907 152 Q HN 0.824 nan 8.270 nan 0.000 0.418 153 Q N -0.560 119.142 119.800 -0.163 0.000 2.061 153 Q HA -0.071 4.269 4.340 0.001 0.000 0.204 153 Q C 2.572 178.551 176.000 -0.034 0.000 0.984 153 Q CA 1.389 57.123 55.803 -0.114 0.000 0.846 153 Q CB -0.355 28.364 28.738 -0.031 0.000 0.902 153 Q HN 0.758 nan 8.270 nan 0.000 0.421 154 A N 1.287 124.139 122.820 0.053 0.000 1.865 154 A HA -0.272 4.048 4.320 0.001 0.000 0.217 154 A C 2.494 179.994 177.584 -0.140 0.000 1.191 154 A CA 2.291 54.315 52.037 -0.022 0.000 0.623 154 A CB -1.411 17.461 19.000 -0.213 0.000 0.826 154 A HN 0.508 nan 8.150 nan 0.000 0.444 155 S N -0.854 114.755 115.700 -0.152 0.000 2.420 155 S HA -0.035 4.435 4.470 0.001 0.000 0.237 155 S C 1.936 176.445 174.600 -0.153 0.000 1.023 155 S CA 1.943 60.063 58.200 -0.133 0.000 0.991 155 S CB -0.633 62.521 63.200 -0.078 0.000 0.792 155 S HN 0.320 nan 8.310 nan 0.000 0.488 156 V N 0.951 120.692 119.914 -0.288 0.000 2.446 156 V HA -0.080 4.040 4.120 0.001 0.000 0.244 156 V C 2.373 178.411 176.094 -0.094 0.000 1.039 156 V CA 1.475 63.580 62.300 -0.325 0.000 1.045 156 V CB -0.471 30.998 31.823 -0.589 0.000 0.681 156 V HN 0.621 nan 8.190 nan 0.000 0.459 157 M N -0.694 118.857 119.600 -0.081 0.000 2.267 157 M HA -0.168 4.312 4.480 0.001 0.000 0.263 157 M C 2.036 178.304 176.300 -0.052 0.000 1.063 157 M CA 1.803 57.084 55.300 -0.031 0.000 1.090 157 M CB -0.339 32.266 32.600 0.008 0.000 1.392 157 M HN 0.281 nan 8.290 nan 0.000 0.422 158 L N -0.816 120.343 121.223 -0.106 0.000 2.127 158 L HA -0.139 4.202 4.340 0.001 0.000 0.203 158 L C 1.977 178.928 176.870 0.136 0.000 1.080 158 L CA 1.093 55.862 54.840 -0.119 0.000 0.768 158 L CB -0.741 41.118 42.059 -0.334 0.000 0.924 158 L HN 0.335 nan 8.230 nan 0.000 0.444 159 N N 0.351 119.134 118.700 0.138 0.000 2.184 159 N HA -0.236 4.504 4.740 0.001 0.000 0.190 159 N C 1.768 177.416 175.510 0.229 0.000 1.011 159 N CA 1.363 54.556 53.050 0.239 0.000 0.867 159 N CB 0.020 38.716 38.487 0.348 0.000 0.993 159 N HN 0.256 nan 8.380 nan 0.000 0.433 160 I N -0.191 120.493 120.570 0.189 0.000 2.339 160 I HA -0.167 4.003 4.170 0.001 0.000 0.245 160 I C 1.849 178.094 176.117 0.213 0.000 1.096 160 I CA 0.650 62.065 61.300 0.192 0.000 1.408 160 I CB -0.151 37.934 38.000 0.142 0.000 1.092 160 I HN 0.201 nan 8.210 nan 0.000 0.423 161 M N -0.009 119.742 119.600 0.251 0.000 2.346 161 M HA -0.212 4.269 4.480 0.001 0.000 0.263 161 M C 2.056 178.459 176.300 0.172 0.000 1.064 161 M CA 1.420 56.924 55.300 0.340 0.000 1.083 161 M CB -0.573 32.222 32.600 0.325 0.000 1.399 161 M HN 0.268 nan 8.290 nan 0.000 0.435 162 E N 1.039 121.374 120.200 0.225 0.000 2.033 162 E HA -0.135 4.215 4.350 0.001 0.000 0.189 162 E C 1.723 178.278 176.600 -0.074 0.000 0.979 162 E CA 0.970 57.437 56.400 0.112 0.000 0.802 162 E CB 0.008 29.868 29.700 0.267 0.000 0.763 162 E HN 0.377 nan 8.360 nan 0.000 0.449 163 E N -0.298 119.882 120.200 -0.033 0.000 2.339 163 E HA -0.202 4.148 4.350 0.001 0.000 0.201 163 E C 0.718 176.962 176.600 -0.593 0.000 1.015 163 E CA 0.996 57.262 56.400 -0.222 0.000 0.841 163 E CB -0.194 29.430 29.700 -0.127 0.000 0.754 163 E HN 0.458 nan 8.360 nan 0.000 0.508 164 Y N -0.328 119.642 120.300 -0.550 0.000 2.719 164 Y HA 0.114 4.664 4.550 0.000 0.000 0.251 164 Y C -0.253 175.104 175.900 -0.905 0.000 1.159 164 Y CA -0.680 56.898 58.100 -0.870 0.000 1.166 164 Y CB 0.588 38.046 38.460 -1.669 0.000 1.219 164 Y HN -0.167 nan 8.280 nan 0.000 0.551 165 D N -0.695 119.312 120.400 -0.654 0.000 2.702 165 D HA -0.239 4.401 4.640 0.001 0.000 0.233 165 D C -0.924 174.757 176.300 -1.031 0.000 1.164 165 D CA 0.679 54.010 54.000 -1.115 0.000 0.638 165 D CB -0.881 39.576 40.800 -0.572 0.000 1.041 165 D HN 0.388 nan 8.370 nan 0.000 0.422 166 W N 0.855 121.746 121.300 -0.681 0.000 1.912 166 W HA 0.218 4.878 4.660 0.000 0.000 0.399 166 W C 0.548 176.942 176.519 -0.208 0.000 0.800 166 W CA -0.621 56.516 57.345 -0.347 0.000 1.593 166 W CB -0.956 28.388 29.460 -0.195 0.000 1.769 166 W HN 0.179 nan 8.180 nan 0.000 0.281 167 Y N 1.182 121.596 120.300 0.191 0.000 2.497 167 Y HA 0.194 4.745 4.550 0.001 0.000 0.265 167 Y C 1.729 177.888 175.900 0.432 0.000 1.111 167 Y CA -0.299 57.877 58.100 0.127 0.000 1.288 167 Y CB -0.663 37.684 38.460 -0.188 0.000 1.082 167 Y HN -0.004 nan 8.280 nan 0.000 0.536 168 I N 0.777 121.624 120.570 0.462 0.000 2.312 168 I HA 0.622 4.793 4.170 0.001 0.000 0.290 168 I C -0.690 175.669 176.117 0.403 0.000 1.008 168 I CA -1.224 60.308 61.300 0.387 0.000 1.226 168 I CB -0.817 37.307 38.000 0.207 0.000 1.371 168 I HN 0.184 nan 8.210 nan 0.000 0.468 169 F N 3.003 123.019 119.950 0.110 0.000 2.668 169 F HA 0.849 5.376 4.527 0.000 0.000 0.309 169 F C -0.343 175.461 175.800 0.006 0.000 1.117 169 F CA -0.961 57.059 58.000 0.033 0.000 0.951 169 F CB 0.840 39.871 39.000 0.052 0.000 1.323 169 F HN 0.369 nan 8.300 nan 0.000 0.451 170 S N 1.702 117.347 115.700 -0.093 0.000 2.568 170 S HA 0.742 5.212 4.470 0.001 0.000 0.302 170 S C -0.679 173.897 174.600 -0.040 0.000 1.082 170 S CA -0.767 57.322 58.200 -0.184 0.000 1.009 170 S CB 1.705 64.825 63.200 -0.133 0.000 1.069 170 S HN 0.555 nan 8.310 nan 0.000 0.500 171 I N 1.532 122.076 120.570 -0.043 0.000 2.525 171 I HA 0.573 4.743 4.170 0.001 0.000 0.301 171 I C -0.998 175.156 176.117 0.062 0.000 0.992 171 I CA -0.829 60.527 61.300 0.093 0.000 1.162 171 I CB 1.774 39.851 38.000 0.129 0.000 1.332 171 I HN 0.201 nan 8.210 nan 0.000 0.458 172 V N 3.698 123.681 119.914 0.116 0.000 2.498 172 V HA 0.280 4.400 4.120 0.001 0.000 0.283 172 V C -0.119 176.037 176.094 0.103 0.000 1.015 172 V CA -0.428 61.920 62.300 0.081 0.000 0.867 172 V CB 1.802 33.681 31.823 0.093 0.000 1.025 172 V HN 0.930 nan 8.190 nan 0.000 0.441 173 T N 0.857 115.455 114.554 0.073 0.000 2.942 173 T HA 0.794 5.144 4.350 0.001 0.000 0.289 173 T C 0.353 175.011 174.700 -0.071 0.000 1.044 173 T CA 0.126 62.283 62.100 0.095 0.000 1.023 173 T CB 2.279 71.263 68.868 0.194 0.000 1.123 173 T HN 0.682 nan 8.240 nan 0.000 0.512 174 T N -0.779 113.747 114.554 -0.046 0.000 2.923 174 T HA 0.373 4.723 4.350 0.001 0.000 0.282 174 T C 0.328 174.769 174.700 -0.431 0.000 1.137 174 T CA -0.447 61.544 62.100 -0.182 0.000 0.958 174 T CB -0.056 68.804 68.868 -0.014 0.000 1.961 174 T HN 0.569 nan 8.240 nan 0.000 0.586 175 Y N -0.918 119.289 120.300 -0.156 0.000 2.462 175 Y HA 0.409 4.960 4.550 0.000 0.000 0.261 175 Y C 0.720 176.702 175.900 0.137 0.000 1.146 175 Y CA -1.520 56.419 58.100 -0.268 0.000 1.283 175 Y CB -0.231 38.133 38.460 -0.161 0.000 1.090 175 Y HN 0.578 nan 8.280 nan 0.000 0.526 176 F N 4.332 124.410 119.950 0.213 0.000 2.579 176 F HA 0.040 4.568 4.527 0.000 0.000 0.397 176 F C -2.096 173.960 175.800 0.426 0.000 1.027 176 F CA -2.398 55.754 58.000 0.253 0.000 1.217 176 F CB 0.290 39.372 39.000 0.138 0.000 0.986 176 F HN -0.103 nan 8.300 nan 0.000 0.551 177 P HA 0.096 nan 4.420 nan 0.000 0.259 177 P C 0.510 177.791 177.300 -0.032 0.000 1.163 177 P CA 1.800 64.787 63.100 -0.188 0.000 0.760 177 P CB 0.316 31.784 31.700 -0.385 0.000 0.762 178 G N 3.058 111.882 108.800 0.041 0.000 2.391 178 G HA2 -0.331 3.629 3.960 0.001 0.000 0.204 178 G HA3 -0.331 3.629 3.960 0.001 0.000 0.204 178 G C 0.947 175.702 174.900 -0.242 0.000 1.012 178 G CA 0.246 45.368 45.100 0.037 0.000 0.651 178 G HN 0.535 nan 8.290 nan 0.000 0.494 179 Y N 0.470 120.662 120.300 -0.181 0.000 2.096 179 Y HA 0.058 4.608 4.550 0.000 0.000 0.278 179 Y C 2.847 178.653 175.900 -0.156 0.000 1.192 179 Y CA 3.451 61.349 58.100 -0.336 0.000 1.143 179 Y CB -1.241 37.206 38.460 -0.022 0.000 0.963 179 Y HN 0.714 nan 8.280 nan 0.000 0.505 180 Q N 1.346 120.494 119.800 -1.088 0.000 2.050 180 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 180 Q C 1.950 177.765 176.000 -0.309 0.000 0.980 180 Q CA 2.760 58.144 55.803 -0.700 0.000 0.840 180 Q CB -2.045 26.252 28.738 -0.736 0.000 0.898 180 Q HN 0.798 nan 8.270 nan 0.000 0.424 181 D N -0.852 119.397 120.400 -0.251 0.000 2.178 181 D HA -0.021 4.619 4.640 0.001 0.000 0.202 181 D C 1.714 177.955 176.300 -0.098 0.000 0.974 181 D CA 1.314 55.235 54.000 -0.132 0.000 0.841 181 D CB -0.454 40.303 40.800 -0.073 0.000 0.953 181 D HN 0.642 nan 8.370 nan 0.000 0.478 182 F N 0.930 120.702 119.950 -0.297 0.000 2.074 182 F HA -0.036 4.492 4.527 0.001 0.000 0.293 182 F C 2.572 178.260 175.800 -0.187 0.000 1.116 182 F CA 1.457 59.288 58.000 -0.282 0.000 1.212 182 F CB -0.310 38.357 39.000 -0.554 0.000 0.998 182 F HN 0.072 nan 8.300 nan 0.000 0.471 183 V N 1.426 121.241 119.914 -0.165 0.000 2.380 183 V HA -0.372 3.749 4.120 0.001 0.000 0.251 183 V C 2.173 178.134 176.094 -0.222 0.000 1.063 183 V CA 2.182 64.362 62.300 -0.199 0.000 1.055 183 V CB -1.018 30.792 31.823 -0.022 0.000 0.657 183 V HN 0.405 nan 8.190 nan 0.000 0.455 184 N N 0.300 118.892 118.700 -0.180 0.000 2.120 184 N HA -0.166 4.575 4.740 0.001 0.000 0.188 184 N C 1.845 177.251 175.510 -0.173 0.000 1.024 184 N CA 1.345 54.306 53.050 -0.148 0.000 0.852 184 N CB -0.397 38.021 38.487 -0.116 0.000 1.003 184 N HN 0.381 nan 8.380 nan 0.000 0.424 185 K N 1.174 121.441 120.400 -0.221 0.000 2.147 185 K HA 0.025 4.345 4.320 0.001 0.000 0.205 185 K C 1.662 178.102 176.600 -0.265 0.000 1.049 185 K CA 0.647 56.803 56.287 -0.217 0.000 0.936 185 K CB -0.279 32.087 32.500 -0.223 0.000 0.722 185 K HN 0.017 nan 8.250 nan 0.000 0.446 186 I N 1.005 121.359 120.570 -0.360 0.000 2.110 186 I HA -0.194 3.976 4.170 0.001 0.000 0.236 186 I C 2.229 178.215 176.117 -0.220 0.000 1.068 186 I CA 1.344 62.447 61.300 -0.329 0.000 1.333 186 I CB -1.170 36.633 38.000 -0.329 0.000 1.054 186 I HN 0.221 nan 8.210 nan 0.000 0.402 187 R N 0.641 121.040 120.500 -0.168 0.000 2.119 187 R HA -0.218 4.122 4.340 0.001 0.000 0.246 187 R C 2.478 178.719 176.300 -0.100 0.000 1.146 187 R CA 1.974 58.007 56.100 -0.112 0.000 0.962 187 R CB -0.655 29.590 30.300 -0.091 0.000 0.863 187 R HN 0.461 nan 8.270 nan 0.000 0.442 188 S N 0.415 116.050 115.700 -0.109 0.000 2.354 188 S HA -0.192 4.278 4.470 0.001 0.000 0.219 188 S C 2.150 176.702 174.600 -0.080 0.000 1.035 188 S CA 2.484 60.635 58.200 -0.081 0.000 1.037 188 S CB -0.592 62.560 63.200 -0.080 0.000 0.956 188 S HN 0.556 nan 8.310 nan 0.000 0.428 189 T N 0.661 115.144 114.554 -0.118 0.000 2.803 189 T HA -0.019 4.332 4.350 0.001 0.000 0.269 189 T C 1.911 176.539 174.700 -0.120 0.000 1.052 189 T CA 1.409 63.442 62.100 -0.113 0.000 1.136 189 T CB -0.789 67.982 68.868 -0.161 0.000 0.864 189 T HN 0.465 nan 8.240 nan 0.000 0.467 190 I N 2.096 122.553 120.570 -0.189 0.000 2.099 190 I HA -0.171 4.000 4.170 0.001 0.000 0.239 190 I C 3.490 179.641 176.117 0.055 0.000 1.066 190 I CA 2.055 63.287 61.300 -0.113 0.000 1.324 190 I CB -1.013 36.937 38.000 -0.083 0.000 1.037 190 I HN 0.518 nan 8.210 nan 0.000 0.401 191 E N 1.876 122.086 120.200 0.017 0.000 2.048 191 E HA -0.275 4.076 4.350 0.001 0.000 0.202 191 E C 1.174 177.803 176.600 0.048 0.000 1.021 191 E CA 1.885 58.304 56.400 0.031 0.000 0.825 191 E CB -1.337 28.366 29.700 0.005 0.000 0.756 191 E HN 0.719 nan 8.360 nan 0.000 0.454 192 N N 0.321 119.045 118.700 0.040 0.000 3.209 192 N HA 0.427 5.168 4.740 0.001 0.000 0.309 192 N C -0.446 175.110 175.510 0.076 0.000 1.384 192 N CA 0.616 53.694 53.050 0.047 0.000 1.173 192 N CB 0.296 38.801 38.487 0.029 0.000 1.460 192 N HN 0.563 nan 8.380 nan 0.000 0.534 193 S N -1.009 114.762 115.700 0.118 0.000 2.614 193 S HA 0.570 5.040 4.470 0.001 0.000 0.288 193 S C 0.713 175.378 174.600 0.108 0.000 1.137 193 S CA -0.842 57.457 58.200 0.165 0.000 0.992 193 S CB 0.066 63.477 63.200 0.353 0.000 1.026 193 S HN 0.249 nan 8.310 nan 0.000 0.486 194 F N 2.240 122.218 119.950 0.047 0.000 2.216 194 F HA 0.268 4.796 4.527 0.001 0.000 0.300 194 F C 1.285 177.030 175.800 -0.091 0.000 1.085 194 F CA 1.271 59.263 58.000 -0.014 0.000 1.326 194 F CB -1.379 37.607 39.000 -0.023 0.000 1.027 194 F HN 0.814 nan 8.300 nan 0.000 0.497 195 V N -0.769 119.054 119.914 -0.151 0.000 2.963 195 V HA 0.489 4.610 4.120 0.001 0.000 0.306 195 V C 1.207 176.996 176.094 -0.508 0.000 1.077 195 V CA -0.513 61.506 62.300 -0.468 0.000 1.124 195 V CB 0.439 31.818 31.823 -0.739 0.000 0.987 195 V HN 0.588 nan 8.190 nan 0.000 0.487 196 G N 2.436 110.817 108.800 -0.698 0.000 3.717 196 G HA2 0.270 4.230 3.960 0.001 0.000 0.258 196 G HA3 0.270 4.230 3.960 0.001 0.000 0.258 196 G C -0.238 174.510 174.900 -0.253 0.000 1.088 196 G CA -0.585 44.290 45.100 -0.375 0.000 1.737 196 G HN 0.741 nan 8.290 nan 0.000 0.648 197 W N 0.123 121.418 121.300 -0.009 0.000 2.223 197 W HA 0.432 5.092 4.660 0.000 0.000 0.334 197 W C 0.669 177.276 176.519 0.147 0.000 1.334 197 W CA -0.002 57.446 57.345 0.173 0.000 1.246 197 W CB 0.747 30.336 29.460 0.214 0.000 1.184 197 W HN 0.387 nan 8.180 nan 0.000 0.563 198 E N 3.956 124.421 120.200 0.441 0.000 2.331 198 E HA 0.353 4.703 4.350 0.001 0.000 0.243 198 E C -1.339 175.256 176.600 -0.009 0.000 0.925 198 E CA -1.094 55.418 56.400 0.187 0.000 0.760 198 E CB 1.029 30.808 29.700 0.132 0.000 1.254 198 E HN 0.521 nan 8.360 nan 0.000 0.419 199 L N 2.849 123.971 121.223 -0.169 0.000 2.401 199 L HA 0.279 4.619 4.340 0.001 0.000 0.283 199 L C 1.161 177.847 176.870 -0.307 0.000 1.151 199 L CA 0.392 54.909 54.840 -0.539 0.000 0.942 199 L CB -0.244 41.549 42.059 -0.444 0.000 1.283 199 L HN 0.722 nan 8.230 nan 0.000 0.442 200 E N 1.732 121.767 120.200 -0.275 0.000 2.007 200 E HA -0.062 4.288 4.350 0.001 0.000 0.194 200 E C 0.114 176.636 176.600 -0.130 0.000 0.999 200 E CA 1.069 57.383 56.400 -0.143 0.000 0.811 200 E CB 0.211 29.856 29.700 -0.091 0.000 0.762 200 E HN 0.565 nan 8.360 nan 0.000 0.450 201 E N 0.017 120.127 120.200 -0.149 0.000 2.336 201 E HA 0.426 4.776 4.350 0.001 0.000 0.267 201 E C -1.228 175.305 176.600 -0.111 0.000 0.906 201 E CA -0.707 55.630 56.400 -0.106 0.000 0.781 201 E CB 2.610 32.266 29.700 -0.073 0.000 1.261 201 E HN -0.146 nan 8.360 nan 0.000 0.436 202 V N 3.032 122.903 119.914 -0.071 0.000 2.524 202 V HA 0.392 4.512 4.120 0.001 0.000 0.297 202 V C -0.098 175.978 176.094 -0.031 0.000 1.035 202 V CA -0.652 61.622 62.300 -0.044 0.000 0.867 202 V CB 1.338 33.140 31.823 -0.036 0.000 1.004 202 V HN 0.439 nan 8.190 nan 0.000 0.426 203 L N 4.469 125.676 121.223 -0.026 0.000 2.331 203 L HA 0.716 5.057 4.340 0.001 0.000 0.268 203 L C -0.921 175.900 176.870 -0.081 0.000 1.015 203 L CA -1.002 53.813 54.840 -0.041 0.000 0.807 203 L CB 1.903 43.944 42.059 -0.030 0.000 1.293 203 L HN 0.455 nan 8.230 nan 0.000 0.451 204 L N 2.097 123.241 121.223 -0.131 0.000 2.620 204 L HA 0.379 4.720 4.340 0.001 0.000 0.261 204 L C -1.084 175.629 176.870 -0.262 0.000 0.978 204 L CA 0.023 54.681 54.840 -0.303 0.000 0.897 204 L CB 1.273 43.110 42.059 -0.370 0.000 1.207 204 L HN 0.345 nan 8.230 nan 0.000 0.425 205 L N 3.850 124.933 121.223 -0.235 0.000 2.268 205 L HA 0.309 4.649 4.340 0.001 0.000 0.289 205 L C -0.029 176.876 176.870 0.058 0.000 1.064 205 L CA -0.509 54.288 54.840 -0.072 0.000 0.824 205 L CB 0.887 42.913 42.059 -0.055 0.000 1.202 205 L HN 0.563 nan 8.230 nan 0.000 0.433 206 D N 5.741 126.234 120.400 0.154 0.000 2.367 206 D HA 0.110 4.751 4.640 0.001 0.000 0.255 206 D C 0.286 176.639 176.300 0.087 0.000 1.300 206 D CA -0.163 53.956 54.000 0.198 0.000 0.959 206 D CB 0.537 41.421 40.800 0.140 0.000 1.064 206 D HN 0.214 nan 8.370 nan 0.000 0.509 207 M N 1.826 121.475 119.600 0.082 0.000 2.226 207 M HA 0.315 4.795 4.480 0.001 0.000 0.324 207 M C 0.296 176.608 176.300 0.021 0.000 1.112 207 M CA -0.175 55.147 55.300 0.036 0.000 1.176 207 M CB 0.827 33.446 32.600 0.031 0.000 1.430 207 M HN 0.243 nan 8.290 nan 0.000 0.462 215 K N 0.242 120.644 120.400 0.004 0.000 2.442 215 K HA 0.474 4.795 4.320 0.001 0.000 0.198 215 K C 2.239 178.842 176.600 0.006 0.000 1.042 215 K CA 1.645 57.936 56.287 0.006 0.000 0.958 215 K CB -1.684 30.821 32.500 0.009 0.000 0.766 215 K HN 1.876 nan 8.250 nan 0.000 0.474 216 I N 0.526 121.098 120.570 0.003 0.000 2.113 216 I HA -0.293 3.878 4.170 0.001 0.000 0.242 216 I C 2.946 179.065 176.117 0.003 0.000 1.064 216 I CA 3.564 64.864 61.300 0.000 0.000 1.320 216 I CB -2.056 35.939 38.000 -0.009 0.000 1.028 216 I HN 0.718 nan 8.210 nan 0.000 0.406 217 Q N 0.484 120.286 119.800 0.004 0.000 2.065 217 Q HA -0.447 3.894 4.340 0.001 0.000 0.213 217 Q C 2.327 178.331 176.000 0.008 0.000 1.012 217 Q CA 4.422 60.229 55.803 0.007 0.000 0.876 217 Q CB -2.524 26.218 28.738 0.008 0.000 0.954 217 Q HN 1.568 nan 8.270 nan 0.000 0.413 218 N N 0.432 119.136 118.700 0.007 0.000 2.192 218 N HA -0.265 4.476 4.740 0.001 0.000 0.188 218 N C 2.063 177.576 175.510 0.006 0.000 1.013 218 N CA 1.841 54.895 53.050 0.007 0.000 0.863 218 N CB -0.439 38.053 38.487 0.007 0.000 0.990 218 N HN 0.836 nan 8.380 nan 0.000 0.430 219 Q N -0.902 118.901 119.800 0.005 0.000 2.008 219 Q HA 0.125 4.465 4.340 0.001 0.000 0.196 219 Q C 2.978 178.979 176.000 0.002 0.000 0.973 219 Q CA 1.549 57.353 55.803 0.002 0.000 0.826 219 Q CB -0.516 28.221 28.738 -0.001 0.000 0.894 219 Q HN 0.696 nan 8.270 nan 0.000 0.439 220 L N 1.226 122.454 121.223 0.009 0.000 2.265 220 L HA -0.097 4.243 4.340 0.001 0.000 0.215 220 L C 2.545 179.419 176.870 0.006 0.000 1.117 220 L CA 2.500 57.352 54.840 0.020 0.000 0.782 220 L CB -2.329 39.757 42.059 0.044 0.000 0.914 220 L HN 0.349 nan 8.230 nan 0.000 0.441 221 K N 0.418 120.821 120.400 0.005 0.000 2.147 221 K HA -0.012 4.309 4.320 0.001 0.000 0.205 221 K C 2.389 178.988 176.600 -0.002 0.000 1.049 221 K CA 1.783 58.071 56.287 0.002 0.000 0.936 221 K CB -1.401 31.105 32.500 0.009 0.000 0.722 221 K HN 0.899 nan 8.250 nan 0.000 0.446 222 K N 0.654 121.052 120.400 -0.003 0.000 2.611 222 K HA 0.348 4.668 4.320 0.001 0.000 0.193 222 K C 0.695 177.288 176.600 -0.012 0.000 1.026 222 K CA 0.478 56.763 56.287 -0.004 0.000 1.063 222 K CB -0.867 31.630 32.500 -0.005 0.000 0.839 222 K HN 0.523 nan 8.250 nan 0.000 0.505 223 L N 0.840 122.048 121.223 -0.025 0.000 2.290 223 L HA 0.306 4.646 4.340 0.001 0.000 0.284 223 L C 1.864 178.730 176.870 -0.007 0.000 1.078 223 L CA -0.082 54.730 54.840 -0.046 0.000 0.815 223 L CB 1.634 43.631 42.059 -0.104 0.000 1.162 223 L HN 0.528 nan 8.230 nan 0.000 0.435 224 Q N 2.320 122.132 119.800 0.020 0.000 2.388 224 Q HA 0.115 4.456 4.340 0.001 0.000 0.204 224 Q C 1.049 177.132 176.000 0.137 0.000 0.946 224 Q CA 0.406 56.257 55.803 0.080 0.000 0.880 224 Q CB -0.156 28.609 28.738 0.045 0.000 0.997 224 Q HN 0.725 nan 8.270 nan 0.000 0.552 225 S N 2.153 117.893 115.700 0.066 0.000 2.549 225 S HA 0.106 4.576 4.470 0.001 0.000 0.278 225 S C -1.710 172.967 174.600 0.129 0.000 1.344 225 S CA -0.118 58.120 58.200 0.064 0.000 1.025 225 S CB 0.721 63.928 63.200 0.011 0.000 0.851 225 S HN 0.538 nan 8.310 nan 0.000 0.530 226 P HA 0.238 nan 4.420 nan 0.000 0.220 226 P C -0.132 177.086 177.300 -0.137 0.000 1.154 226 P CA 0.331 63.389 63.100 -0.070 0.000 0.837 226 P CB 0.144 31.767 31.700 -0.129 0.000 0.815 227 I N 0.424 120.906 120.570 -0.147 0.000 2.353 227 I HA 0.240 4.410 4.170 0.001 0.000 0.293 227 I C 0.051 176.075 176.117 -0.155 0.000 0.992 227 I CA -0.838 60.322 61.300 -0.233 0.000 1.268 227 I CB 0.601 38.471 38.000 -0.218 0.000 1.387 227 I HN -0.175 nan 8.210 nan 0.000 0.478 228 I N 6.877 127.257 120.570 -0.316 0.000 2.478 228 I HA 0.334 4.504 4.170 0.001 0.000 0.287 228 I C -0.853 175.201 176.117 -0.106 0.000 1.042 228 I CA -0.575 60.519 61.300 -0.342 0.000 1.067 228 I CB 1.446 38.844 38.000 -1.004 0.000 1.233 228 I HN 0.183 nan 8.210 nan 0.000 0.431 229 L N 6.632 127.909 121.223 0.090 0.000 2.265 229 L HA 0.442 4.783 4.340 0.001 0.000 0.288 229 L C -0.645 176.363 176.870 0.230 0.000 1.058 229 L CA -0.569 54.398 54.840 0.212 0.000 0.809 229 L CB 1.176 43.442 42.059 0.345 0.000 1.179 229 L HN 0.420 nan 8.230 nan 0.000 0.429 230 L N 5.260 126.616 121.223 0.222 0.000 2.316 230 L HA 0.378 4.718 4.340 0.001 0.000 0.280 230 L C -1.110 175.767 176.870 0.013 0.000 1.006 230 L CA -0.217 54.724 54.840 0.169 0.000 0.836 230 L CB 1.133 43.336 42.059 0.239 0.000 1.221 230 L HN 0.388 nan 8.230 nan 0.000 0.418 231 Y N 6.674 126.872 120.300 -0.171 0.000 2.369 231 Y HA 0.625 5.175 4.550 0.001 0.000 0.337 231 Y C -0.127 175.638 175.900 -0.225 0.000 0.961 231 Y CA -0.187 57.696 58.100 -0.363 0.000 1.186 231 Y CB 0.701 38.746 38.460 -0.692 0.000 1.139 231 Y HN 1.010 nan 8.280 nan 0.000 0.494 232 C N 1.696 120.574 119.300 -0.703 0.000 3.209 232 C HA 0.643 5.103 4.460 0.001 0.000 0.353 232 C C -0.015 174.522 174.990 -0.754 0.000 1.436 232 C CA -0.405 58.269 59.018 -0.572 0.000 1.186 232 C CB 0.763 28.334 27.740 -0.282 0.000 1.550 232 C HN 0.964 nan 8.230 nan 0.000 0.435 233 T N -0.737 113.427 114.554 -0.651 0.000 2.788 233 T HA 0.290 4.641 4.350 0.001 0.000 0.287 233 T C 0.856 175.394 174.700 -0.271 0.000 1.007 233 T CA 0.354 62.120 62.100 -0.557 0.000 1.005 233 T CB 0.906 69.540 68.868 -0.390 0.000 1.012 233 T HN 1.107 nan 8.240 nan 0.000 0.530 234 K N 0.574 120.877 120.400 -0.161 0.000 2.032 234 K HA -0.153 4.168 4.320 0.001 0.000 0.209 234 K C 2.754 179.377 176.600 0.040 0.000 1.048 234 K CA 1.926 58.224 56.287 0.019 0.000 0.927 234 K CB -0.833 31.693 32.500 0.042 0.000 0.712 234 K HN 0.828 nan 8.250 nan 0.000 0.441 235 E N 1.174 121.358 120.200 -0.027 0.000 2.106 235 E HA -0.207 4.143 4.350 0.001 0.000 0.192 235 E C 1.749 178.333 176.600 -0.026 0.000 0.984 235 E CA 1.585 57.972 56.400 -0.021 0.000 0.806 235 E CB -0.560 29.125 29.700 -0.025 0.000 0.750 235 E HN 0.617 nan 8.360 nan 0.000 0.458 236 E N -0.226 119.937 120.200 -0.061 0.000 2.077 236 E HA -0.047 4.304 4.350 0.001 0.000 0.193 236 E C 2.505 179.042 176.600 -0.104 0.000 0.989 236 E CA 0.906 57.260 56.400 -0.077 0.000 0.800 236 E CB -0.215 29.425 29.700 -0.101 0.000 0.746 236 E HN 0.541 nan 8.360 nan 0.000 0.452 237 A N 0.975 123.729 122.820 -0.110 0.000 1.917 237 A HA -0.252 4.069 4.320 0.001 0.000 0.219 237 A C 2.439 180.003 177.584 -0.034 0.000 1.182 237 A CA 2.335 54.258 52.037 -0.189 0.000 0.633 237 A CB -1.242 17.713 19.000 -0.075 0.000 0.819 237 A HN 0.439 nan 8.150 nan 0.000 0.448 238 T N -3.829 110.835 114.554 0.184 0.000 2.915 238 T HA -0.107 4.243 4.350 0.001 0.000 0.269 238 T C 1.842 176.593 174.700 0.085 0.000 1.071 238 T CA 2.101 64.338 62.100 0.229 0.000 1.132 238 T CB -0.857 68.043 68.868 0.054 0.000 0.878 238 T HN 0.823 nan 8.240 nan 0.000 0.479 239 Y N 1.593 121.893 120.300 -0.000 0.000 2.153 239 Y HA 0.298 4.849 4.550 0.001 0.000 0.289 239 Y C 2.633 178.496 175.900 -0.062 0.000 1.127 239 Y CA 1.101 59.187 58.100 -0.024 0.000 1.131 239 Y CB -0.872 37.568 38.460 -0.034 0.000 0.995 239 Y HN 0.397 nan 8.280 nan 0.000 0.505 240 I N -0.963 119.514 120.570 -0.155 0.000 2.248 240 I HA -0.287 3.883 4.170 0.001 0.000 0.248 240 I C 2.296 178.243 176.117 -0.284 0.000 1.107 240 I CA 1.847 62.994 61.300 -0.255 0.000 1.373 240 I CB -0.545 37.211 38.000 -0.406 0.000 1.055 240 I HN 0.384 nan 8.210 nan 0.000 0.418 241 F N 1.339 121.180 119.950 -0.182 0.000 2.128 241 F HA -0.142 4.385 4.527 0.001 0.000 0.295 241 F C 3.045 178.757 175.800 -0.148 0.000 1.100 241 F CA 1.542 59.389 58.000 -0.256 0.000 1.260 241 F CB -1.380 37.492 39.000 -0.215 0.000 1.009 241 F HN 0.124 nan 8.300 nan 0.000 0.476 242 E N 0.287 120.554 120.200 0.113 0.000 2.147 242 E HA -0.189 4.162 4.350 0.001 0.000 0.199 242 E C 2.294 178.908 176.600 0.023 0.000 1.005 242 E CA 2.035 58.464 56.400 0.049 0.000 0.810 242 E CB -1.390 28.328 29.700 0.029 0.000 0.736 242 E HN 0.228 nan 8.360 nan 0.000 0.460 243 V N 0.696 120.614 119.914 0.008 0.000 2.255 243 V HA -0.029 4.091 4.120 0.001 0.000 0.243 243 V C 2.989 179.092 176.094 0.014 0.000 1.038 243 V CA 1.708 64.010 62.300 0.003 0.000 1.008 243 V CB -0.847 30.969 31.823 -0.012 0.000 0.645 243 V HN 0.686 nan 8.190 nan 0.000 0.449 244 A N 0.484 123.312 122.820 0.014 0.000 1.948 244 A HA -0.276 4.044 4.320 0.001 0.000 0.220 244 A C 2.071 179.684 177.584 0.049 0.000 1.177 244 A CA 2.177 54.243 52.037 0.048 0.000 0.636 244 A CB -0.774 18.268 19.000 0.071 0.000 0.815 244 A HN 0.615 nan 8.150 nan 0.000 0.449 245 N N 0.717 119.437 118.700 0.033 0.000 2.069 245 N HA -0.115 4.626 4.740 0.001 0.000 0.191 245 N C 1.373 176.902 175.510 0.032 0.000 1.031 245 N CA 1.742 54.806 53.050 0.024 0.000 0.852 245 N CB -0.451 38.038 38.487 0.003 0.000 1.018 245 N HN 0.571 nan 8.380 nan 0.000 0.423 246 S N -0.039 115.678 115.700 0.027 0.000 2.767 246 S HA 0.294 4.764 4.470 0.001 0.000 0.253 246 S C 0.834 175.452 174.600 0.030 0.000 1.082 246 S CA -0.359 57.858 58.200 0.027 0.000 1.148 246 S CB 0.020 63.232 63.200 0.019 0.000 0.808 246 S HN 0.032 nan 8.310 nan 0.000 0.466 247 V N -1.124 118.813 119.914 0.037 0.000 3.509 247 V HA 0.443 4.563 4.120 0.001 0.000 0.286 247 V C 1.638 177.761 176.094 0.047 0.000 1.618 247 V CA -0.098 62.224 62.300 0.036 0.000 1.088 247 V CB -0.330 31.509 31.823 0.027 0.000 0.909 247 V HN 0.595 nan 8.190 nan 0.000 0.429 248 G N 1.153 109.992 108.800 0.064 0.000 2.377 248 G HA2 -0.328 3.632 3.960 0.001 0.000 0.250 248 G HA3 -0.328 3.632 3.960 0.001 0.000 0.250 248 G C 1.198 176.165 174.900 0.113 0.000 1.039 248 G CA 0.974 46.137 45.100 0.105 0.000 0.625 248 G HN 1.327 nan 8.290 nan 0.000 0.526 249 L N -0.046 121.164 121.223 -0.021 0.000 2.563 249 L HA 0.502 4.842 4.340 0.001 0.000 0.230 249 L C 1.863 178.768 176.870 0.059 0.000 1.162 249 L CA 3.048 57.690 54.840 -0.329 0.000 0.812 249 L CB -1.751 40.163 42.059 -0.242 0.000 0.935 249 L HN 1.914 nan 8.230 nan 0.000 0.451 250 T N -1.686 113.003 114.554 0.225 0.000 2.842 250 T HA 0.693 5.044 4.350 0.001 0.000 0.308 250 T C 0.653 175.464 174.700 0.186 0.000 1.041 250 T CA 0.200 62.468 62.100 0.279 0.000 0.964 250 T CB 0.655 69.522 68.868 -0.002 0.000 0.972 250 T HN 1.548 nan 8.240 nan 0.000 0.460 251 G N 1.427 110.367 108.800 0.235 0.000 2.593 251 G HA2 0.406 4.367 3.960 0.001 0.000 0.103 251 G HA3 0.406 4.367 3.960 0.001 0.000 0.103 251 G C -1.667 173.248 174.900 0.025 0.000 1.103 251 G CA -0.578 44.583 45.100 0.101 0.000 1.109 251 G HN 0.514 nan 8.290 nan 0.000 0.516 252 Y N 1.091 121.462 120.300 0.119 0.000 2.299 252 Y HA 0.459 5.009 4.550 0.000 0.000 0.326 252 Y C 1.470 177.364 175.900 -0.010 0.000 1.164 252 Y CA 1.537 59.674 58.100 0.063 0.000 1.234 252 Y CB 1.708 40.193 38.460 0.042 0.000 1.219 252 Y HN 1.537 nan 8.280 nan 0.000 0.497 253 G N 1.273 110.108 108.800 0.059 0.000 2.345 253 G HA2 -0.281 3.680 3.960 0.001 0.000 0.218 253 G HA3 -0.281 3.680 3.960 0.001 0.000 0.218 253 G C -0.597 174.041 174.900 -0.436 0.000 1.058 253 G CA -0.415 44.544 45.100 -0.236 0.000 0.632 253 G HN 0.506 nan 8.290 nan 0.000 0.508 254 Y N 2.425 122.738 120.300 0.021 0.000 2.328 254 Y HA 0.595 5.146 4.550 0.000 0.000 0.337 254 Y C 0.590 176.451 175.900 -0.065 0.000 0.966 254 Y CA -0.128 57.932 58.100 -0.066 0.000 1.136 254 Y CB 1.877 40.340 38.460 0.006 0.000 1.170 254 Y HN 0.272 nan 8.280 nan 0.000 0.470 255 T N -0.875 113.620 114.554 -0.099 0.000 2.797 255 T HA 0.496 4.846 4.350 0.001 0.000 0.279 255 T C -1.024 173.577 174.700 -0.165 0.000 0.991 255 T CA -0.874 61.157 62.100 -0.115 0.000 0.979 255 T CB 0.815 69.454 68.868 -0.382 0.000 0.943 255 T HN 0.440 nan 8.240 nan 0.000 0.444 256 W N 2.417 123.676 121.300 -0.069 0.000 2.478 256 W HA 0.690 5.350 4.660 0.001 0.000 0.318 256 W C -0.360 176.149 176.519 -0.018 0.000 1.062 256 W CA -1.172 56.175 57.345 0.003 0.000 1.210 256 W CB 0.864 30.397 29.460 0.121 0.000 1.325 256 W HN 0.578 nan 8.180 nan 0.000 0.496 257 I N 3.203 123.876 120.570 0.173 0.000 2.603 257 I HA 0.694 4.865 4.170 0.001 0.000 0.300 257 I C -0.563 175.644 176.117 0.150 0.000 1.017 257 I CA -1.343 60.027 61.300 0.118 0.000 1.098 257 I CB 1.734 39.748 38.000 0.024 0.000 1.279 257 I HN -0.018 nan 8.210 nan 0.000 0.437 258 V N 5.547 125.521 119.914 0.100 0.000 2.924 258 V HA 0.357 4.478 4.120 0.001 0.000 0.300 258 V C -2.401 173.672 176.094 -0.036 0.000 1.227 258 V CA -1.477 60.846 62.300 0.037 0.000 0.954 258 V CB 2.976 34.828 31.823 0.049 0.000 1.055 258 V HN 0.537 nan 8.190 nan 0.000 0.429 259 P HA 0.120 nan 4.420 nan 0.000 0.271 259 P C 0.854 178.066 177.300 -0.147 0.000 1.244 259 P CA 0.200 63.220 63.100 -0.134 0.000 0.793 259 P CB 0.599 32.150 31.700 -0.249 0.000 0.984 260 S N 0.763 116.390 115.700 -0.121 0.000 2.400 260 S HA -0.127 4.343 4.470 0.001 0.000 0.232 260 S C 1.532 176.054 174.600 -0.131 0.000 1.025 260 S CA 1.353 59.485 58.200 -0.114 0.000 0.993 260 S CB -1.162 62.001 63.200 -0.061 0.000 0.808 260 S HN 0.522 nan 8.310 nan 0.000 0.478 261 L N -0.757 120.375 121.223 -0.152 0.000 2.478 261 L HA 0.279 4.620 4.340 0.001 0.000 0.223 261 L C 1.687 178.463 176.870 -0.157 0.000 1.140 261 L CA 0.588 55.336 54.840 -0.152 0.000 0.842 261 L CB -0.233 41.710 42.059 -0.193 0.000 0.953 261 L HN 0.123 nan 8.230 nan 0.000 0.452 262 V N 0.483 120.302 119.914 -0.160 0.000 3.052 262 V HA 0.086 4.206 4.120 0.001 0.000 0.254 262 V C 2.911 179.045 176.094 0.067 0.000 1.100 262 V CA 1.207 63.466 62.300 -0.069 0.000 1.112 262 V CB 0.021 31.771 31.823 -0.122 0.000 0.738 262 V HN 0.549 nan 8.190 nan 0.000 0.469 263 A N -0.111 122.665 122.820 -0.073 0.000 1.897 263 A HA 0.318 4.638 4.320 0.001 0.000 0.215 263 A C 1.938 179.489 177.584 -0.056 0.000 1.181 263 A CA 1.618 53.559 52.037 -0.161 0.000 0.620 263 A CB -0.890 17.781 19.000 -0.547 0.000 0.821 263 A HN 0.900 nan 8.150 nan 0.000 0.443 264 G N -0.300 108.454 108.800 -0.076 0.000 2.596 264 G HA2 -0.339 3.621 3.960 0.001 0.000 0.295 264 G HA3 -0.339 3.621 3.960 0.001 0.000 0.295 264 G C -0.076 174.790 174.900 -0.057 0.000 1.240 264 G CA 0.448 45.519 45.100 -0.049 0.000 0.985 264 G HN 0.830 nan 8.290 nan 0.000 0.555 265 D N 1.187 121.575 120.400 -0.020 0.000 2.382 265 D HA 0.393 5.033 4.640 0.001 0.000 0.259 265 D C 2.077 178.396 176.300 0.032 0.000 1.224 265 D CA 1.007 55.011 54.000 0.006 0.000 0.894 265 D CB 0.491 41.308 40.800 0.028 0.000 1.127 265 D HN 0.673 nan 8.370 nan 0.000 0.487 266 T N 0.378 114.937 114.554 0.009 0.000 3.051 266 T HA -0.132 4.218 4.350 0.001 0.000 0.269 266 T C 1.018 175.856 174.700 0.229 0.000 1.127 266 T CA 0.500 62.629 62.100 0.048 0.000 1.107 266 T CB 0.065 68.910 68.868 -0.038 0.000 0.898 266 T HN 0.309 nan 8.240 nan 0.000 0.517 267 D N 1.398 121.882 120.400 0.141 0.000 2.347 267 D HA 0.047 4.687 4.640 0.001 0.000 0.213 267 D C 0.145 176.506 176.300 0.102 0.000 0.985 267 D CA 0.671 54.745 54.000 0.123 0.000 0.879 267 D CB 0.099 40.950 40.800 0.084 0.000 0.919 267 D HN 0.363 nan 8.370 nan 0.000 0.526 268 T N 0.945 115.562 114.554 0.105 0.000 2.893 268 T HA 0.375 4.726 4.350 0.001 0.000 0.324 268 T C -0.173 174.561 174.700 0.058 0.000 1.082 268 T CA -0.448 61.684 62.100 0.054 0.000 0.983 268 T CB 1.892 70.772 68.868 0.019 0.000 1.005 268 T HN -0.312 nan 8.240 nan 0.000 0.475 269 V N 6.026 125.951 119.914 0.019 0.000 2.326 269 V HA 0.330 4.451 4.120 0.001 0.000 0.281 269 V C -2.050 173.915 176.094 -0.215 0.000 1.015 269 V CA -2.107 60.171 62.300 -0.038 0.000 0.823 269 V CB 0.808 32.645 31.823 0.022 0.000 1.009 269 V HN 0.636 nan 8.190 nan 0.000 0.436 270 P HA 0.023 nan 4.420 nan 0.000 0.266 270 P C 1.085 178.216 177.300 -0.282 0.000 1.180 270 P CA 0.426 63.232 63.100 -0.490 0.000 0.765 270 P CB 0.555 31.649 31.700 -1.009 0.000 0.806 271 S N 1.441 117.039 115.700 -0.169 0.000 2.382 271 S HA -0.154 4.317 4.470 0.001 0.000 0.228 271 S C 1.352 175.908 174.600 -0.073 0.000 1.027 271 S CA 1.198 59.337 58.200 -0.102 0.000 0.991 271 S CB -0.375 62.782 63.200 -0.072 0.000 0.823 271 S HN 0.671 nan 8.310 nan 0.000 0.469 272 E N 0.475 120.646 120.200 -0.048 0.000 2.481 272 E HA 0.016 4.366 4.350 0.001 0.000 0.195 272 E C -0.439 176.205 176.600 0.073 0.000 1.047 272 E CA 0.059 56.476 56.400 0.029 0.000 0.867 272 E CB -0.310 29.442 29.700 0.087 0.000 0.858 272 E HN 0.346 nan 8.360 nan 0.000 0.513 273 F N 3.675 123.499 119.950 -0.210 0.000 2.541 273 F HA 0.194 4.721 4.527 0.001 0.000 0.378 273 F C -1.886 173.599 175.800 -0.526 0.000 1.068 273 F CA -3.186 54.559 58.000 -0.426 0.000 1.199 273 F CB 0.017 38.882 39.000 -0.225 0.000 1.091 273 F HN -0.148 nan 8.300 nan 0.000 0.555 274 P HA 0.085 nan 4.420 nan 0.000 0.271 274 P C -0.200 176.872 177.300 -0.380 0.000 1.220 274 P CA -0.323 62.481 63.100 -0.492 0.000 0.768 274 P CB 0.287 31.612 31.700 -0.625 0.000 0.848 275 T N -0.307 114.077 114.554 -0.284 0.000 2.928 275 T HA 0.356 4.707 4.350 0.001 0.000 0.305 275 T C 1.051 175.606 174.700 -0.240 0.000 1.035 275 T CA 0.372 62.311 62.100 -0.267 0.000 1.145 275 T CB -0.373 68.367 68.868 -0.213 0.000 0.963 275 T HN 0.863 nan 8.240 nan 0.000 0.545 276 G N 1.541 110.220 108.800 -0.203 0.000 2.165 276 G HA2 -0.143 3.817 3.960 0.001 0.000 0.226 276 G HA3 -0.143 3.817 3.960 0.001 0.000 0.226 276 G C -0.293 174.590 174.900 -0.028 0.000 1.035 276 G CA -0.124 44.925 45.100 -0.084 0.000 0.744 276 G HN 1.077 nan 8.290 nan 0.000 0.501 277 L N 1.340 122.495 121.223 -0.114 0.000 2.260 277 L HA 0.726 5.067 4.340 0.001 0.000 0.289 277 L C 0.460 177.452 176.870 0.203 0.000 1.057 277 L CA -0.909 53.917 54.840 -0.023 0.000 0.811 277 L CB 0.543 42.488 42.059 -0.190 0.000 1.184 277 L HN 0.187 nan 8.230 nan 0.000 0.429 278 I N 4.155 124.866 120.570 0.235 0.000 2.396 278 I HA 0.487 4.657 4.170 0.001 0.000 0.292 278 I C 0.345 176.609 176.117 0.245 0.000 0.999 278 I CA -0.041 61.432 61.300 0.289 0.000 1.310 278 I CB 1.473 39.584 38.000 0.185 0.000 1.404 278 I HN 0.662 nan 8.210 nan 0.000 0.496 279 S N 4.491 120.323 115.700 0.221 0.000 2.541 279 S HA 0.602 5.073 4.470 0.001 0.000 0.271 279 S C -0.946 173.653 174.600 -0.001 0.000 1.133 279 S CA -0.630 57.599 58.200 0.048 0.000 0.876 279 S CB 1.603 64.725 63.200 -0.130 0.000 1.105 279 S HN 0.279 nan 8.310 nan 0.000 0.470 280 V N 3.209 123.104 119.914 -0.030 0.000 2.607 280 V HA 0.817 4.937 4.120 0.001 0.000 0.289 280 V C 0.826 176.879 176.094 -0.069 0.000 1.053 280 V CA 0.431 62.711 62.300 -0.033 0.000 0.996 280 V CB 0.712 32.507 31.823 -0.048 0.000 0.995 280 V HN 1.136 nan 8.190 nan 0.000 0.476 281 S N 2.338 118.019 115.700 -0.032 0.000 2.546 281 S HA 0.678 5.149 4.470 0.001 0.000 0.274 281 S C -0.911 173.755 174.600 0.111 0.000 1.121 281 S CA -0.568 57.623 58.200 -0.015 0.000 0.887 281 S CB 0.908 64.045 63.200 -0.105 0.000 1.094 281 S HN 0.499 nan 8.310 nan 0.000 0.474 282 Y N 1.642 121.942 120.300 -0.000 0.000 2.426 282 Y HA 0.326 4.876 4.550 0.001 0.000 0.344 282 Y C 0.419 176.371 175.900 0.086 0.000 1.256 282 Y CA 0.306 58.445 58.100 0.064 0.000 1.451 282 Y CB 0.761 39.289 38.460 0.114 0.000 1.342 282 Y HN 0.667 nan 8.280 nan 0.000 0.600 283 D N 3.400 123.625 120.400 -0.292 0.000 2.441 283 D HA 0.059 4.700 4.640 0.001 0.000 0.221 283 D C 0.086 176.349 176.300 -0.062 0.000 1.156 283 D CA 0.127 54.040 54.000 -0.145 0.000 0.896 283 D CB 0.054 40.758 40.800 -0.160 0.000 1.028 283 D HN 0.721 nan 8.370 nan 0.000 0.509 284 E N 2.322 122.543 120.200 0.035 0.000 2.437 284 E HA 0.106 4.456 4.350 0.001 0.000 0.189 284 E C 1.260 177.899 176.600 0.065 0.000 1.054 284 E CA -0.106 56.346 56.400 0.087 0.000 0.874 284 E CB 0.012 29.798 29.700 0.143 0.000 1.011 284 E HN 0.705 nan 8.360 nan 0.000 0.474 285 W N -0.166 121.166 121.300 0.054 0.000 2.848 285 W HA 0.080 4.740 4.660 0.001 0.000 0.288 285 W C 1.888 178.441 176.519 0.056 0.000 1.060 285 W CA 0.940 58.316 57.345 0.052 0.000 1.712 285 W CB -0.891 28.598 29.460 0.049 0.000 1.155 285 W HN 0.182 nan 8.180 nan 0.000 0.540 286 D N -1.346 119.088 120.400 0.057 0.000 2.363 286 D HA 0.245 4.886 4.640 0.001 0.000 0.226 286 D C 0.345 176.731 176.300 0.144 0.000 1.020 286 D CA 0.959 54.998 54.000 0.067 0.000 0.892 286 D CB -0.289 40.530 40.800 0.032 0.000 0.900 286 D HN 0.423 nan 8.370 nan 0.000 0.531 287 Y N 0.736 121.003 120.300 -0.054 0.000 2.787 287 Y HA 0.517 5.067 4.550 0.001 0.000 0.352 287 Y C 0.722 176.602 175.900 -0.034 0.000 1.027 287 Y CA -1.931 56.131 58.100 -0.062 0.000 1.219 287 Y CB 0.961 39.335 38.460 -0.144 0.000 1.110 287 Y HN 0.125 nan 8.280 nan 0.000 0.614 288 G N 2.319 111.076 108.800 -0.072 0.000 2.634 288 G HA2 0.174 4.134 3.960 0.001 0.000 0.255 288 G HA3 0.174 4.134 3.960 0.001 0.000 0.255 288 G C 0.759 175.495 174.900 -0.273 0.000 1.205 288 G CA -0.374 44.645 45.100 -0.135 0.000 0.884 288 G HN 0.657 nan 8.290 nan 0.000 0.549 289 L N 1.658 122.738 121.223 -0.238 0.000 1.970 289 L HA 0.012 4.352 4.340 0.001 0.000 0.212 289 L C 0.106 176.865 176.870 -0.184 0.000 1.071 289 L CA 2.088 56.769 54.840 -0.265 0.000 0.751 289 L CB -1.060 40.843 42.059 -0.260 0.000 0.889 289 L HN 0.374 nan 8.230 nan 0.000 0.432 290 P HA -0.170 nan 4.420 nan 0.000 0.220 290 P C 1.305 178.578 177.300 -0.046 0.000 1.144 290 P CA 1.833 64.897 63.100 -0.060 0.000 0.800 290 P CB -0.209 31.471 31.700 -0.034 0.000 0.772 291 A N -0.569 122.187 122.820 -0.107 0.000 1.970 291 A HA -0.116 4.204 4.320 0.001 0.000 0.216 291 A C 2.203 179.738 177.584 -0.082 0.000 1.170 291 A CA 0.912 52.910 52.037 -0.065 0.000 0.645 291 A CB -0.634 18.326 19.000 -0.066 0.000 0.816 291 A HN 0.095 nan 8.150 nan 0.000 0.447 292 R N -0.565 119.780 120.500 -0.258 0.000 2.057 292 R HA -0.045 4.296 4.340 0.001 0.000 0.229 292 R C 2.024 178.421 176.300 0.161 0.000 1.136 292 R CA 1.362 57.459 56.100 -0.005 0.000 0.952 292 R CB -0.817 29.493 30.300 0.015 0.000 0.848 292 R HN 0.312 nan 8.270 nan 0.000 0.430 293 V N 1.770 121.719 119.914 0.059 0.000 2.278 293 V HA -0.340 3.780 4.120 0.001 0.000 0.251 293 V C 2.615 178.764 176.094 0.092 0.000 1.062 293 V CA 2.239 64.576 62.300 0.062 0.000 1.038 293 V CB -0.654 31.180 31.823 0.019 0.000 0.646 293 V HN 0.368 nan 8.190 nan 0.000 0.447 294 R N 0.064 120.626 120.500 0.103 0.000 2.094 294 R HA -0.232 4.108 4.340 0.001 0.000 0.239 294 R C 2.030 178.394 176.300 0.107 0.000 1.137 294 R CA 2.483 58.674 56.100 0.151 0.000 0.943 294 R CB -0.485 29.897 30.300 0.137 0.000 0.850 294 R HN 0.511 nan 8.270 nan 0.000 0.433 295 D N -0.576 119.908 120.400 0.140 0.000 2.144 295 D HA -0.087 4.553 4.640 0.001 0.000 0.199 295 D C 1.714 178.113 176.300 0.166 0.000 0.984 295 D CA 1.498 55.586 54.000 0.147 0.000 0.834 295 D CB -0.576 40.394 40.800 0.285 0.000 0.955 295 D HN 0.524 nan 8.370 nan 0.000 0.465 296 G N 0.993 109.934 108.800 0.236 0.000 2.480 296 G HA2 -0.249 3.711 3.960 0.001 0.000 0.216 296 G HA3 -0.249 3.711 3.960 0.001 0.000 0.216 296 G C 1.699 176.597 174.900 -0.003 0.000 1.200 296 G CA 0.616 45.810 45.100 0.156 0.000 0.782 296 G HN 0.288 nan 8.290 nan 0.000 0.554 297 I N 1.538 122.059 120.570 -0.082 0.000 2.335 297 I HA -0.222 3.949 4.170 0.001 0.000 0.251 297 I C 3.255 179.071 176.117 -0.502 0.000 1.129 297 I CA 0.949 62.083 61.300 -0.276 0.000 1.402 297 I CB -0.326 37.487 38.000 -0.311 0.000 1.069 297 I HN 0.278 nan 8.210 nan 0.000 0.424 298 A N 1.404 123.949 122.820 -0.459 0.000 1.855 298 A HA -0.153 4.167 4.320 0.001 0.000 0.215 298 A C 2.302 179.689 177.584 -0.328 0.000 1.191 298 A CA 1.295 52.958 52.037 -0.622 0.000 0.613 298 A CB -0.762 17.588 19.000 -1.082 0.000 0.829 298 A HN 0.308 nan 8.150 nan 0.000 0.442 299 I N -0.189 120.293 120.570 -0.147 0.000 2.113 299 I HA -0.343 3.828 4.170 0.001 0.000 0.242 299 I C 2.410 178.513 176.117 -0.023 0.000 1.064 299 I CA 1.821 63.113 61.300 -0.013 0.000 1.320 299 I CB -0.393 37.685 38.000 0.130 0.000 1.028 299 I HN 0.352 nan 8.210 nan 0.000 0.406 300 I N -0.040 120.502 120.570 -0.047 0.000 2.113 300 I HA -0.287 3.884 4.170 0.001 0.000 0.238 300 I C 2.535 178.602 176.117 -0.084 0.000 1.070 300 I CA 1.769 63.044 61.300 -0.042 0.000 1.332 300 I CB -0.687 37.283 38.000 -0.050 0.000 1.044 300 I HN 0.206 nan 8.210 nan 0.000 0.402 301 T N 0.281 114.721 114.554 -0.189 0.000 2.822 301 T HA -0.174 4.176 4.350 0.001 0.000 0.270 301 T C 1.796 176.439 174.700 -0.096 0.000 1.064 301 T CA 1.955 63.938 62.100 -0.196 0.000 1.131 301 T CB -0.354 68.266 68.868 -0.414 0.000 0.858 301 T HN 0.437 nan 8.240 nan 0.000 0.483 302 T N 1.833 116.342 114.554 -0.074 0.000 2.732 302 T HA 0.054 4.404 4.350 0.001 0.000 0.261 302 T C 2.462 177.155 174.700 -0.013 0.000 1.040 302 T CA 1.012 63.111 62.100 -0.003 0.000 1.145 302 T CB -0.669 68.221 68.868 0.037 0.000 0.866 302 T HN 0.417 nan 8.240 nan 0.000 0.427 303 A N 1.886 124.713 122.820 0.013 0.000 1.903 303 A HA -0.034 4.287 4.320 0.001 0.000 0.219 303 A C 2.675 180.275 177.584 0.028 0.000 1.191 303 A CA 2.289 54.364 52.037 0.064 0.000 0.638 303 A CB -1.339 17.735 19.000 0.123 0.000 0.823 303 A HN 0.536 nan 8.150 nan 0.000 0.451 304 A N -0.904 121.927 122.820 0.018 0.000 1.908 304 A HA -0.095 4.225 4.320 0.001 0.000 0.218 304 A C 2.452 180.027 177.584 -0.015 0.000 1.181 304 A CA 2.212 54.257 52.037 0.014 0.000 0.627 304 A CB -0.891 18.108 19.000 -0.001 0.000 0.818 304 A HN 0.482 nan 8.150 nan 0.000 0.445 305 S N -0.030 115.651 115.700 -0.030 0.000 2.383 305 S HA -0.112 4.358 4.470 0.001 0.000 0.227 305 S C 1.363 175.908 174.600 -0.091 0.000 1.026 305 S CA 1.404 59.585 58.200 -0.032 0.000 0.981 305 S CB -0.365 62.835 63.200 0.001 0.000 0.818 305 S HN 0.625 nan 8.310 nan 0.000 0.472 306 D N 0.551 120.842 120.400 -0.183 0.000 2.317 306 D HA 0.101 4.741 4.640 0.001 0.000 0.211 306 D C 1.644 177.616 176.300 -0.547 0.000 0.966 306 D CA 0.439 54.220 54.000 -0.365 0.000 0.876 306 D CB -0.075 40.440 40.800 -0.475 0.000 0.927 306 D HN 0.309 nan 8.370 nan 0.000 0.519 307 M N 0.077 119.476 119.600 -0.335 0.000 2.276 307 M HA -0.016 4.465 4.480 0.001 0.000 0.262 307 M C 2.485 178.835 176.300 0.083 0.000 1.098 307 M CA 0.575 55.874 55.300 -0.002 0.000 1.167 307 M CB -0.192 32.560 32.600 0.254 0.000 1.337 307 M HN 0.138 nan 8.290 nan 0.000 0.446 308 L N -0.486 120.757 121.223 0.034 0.000 2.197 308 L HA -0.178 4.163 4.340 0.001 0.000 0.215 308 L C 2.441 179.316 176.870 0.008 0.000 1.095 308 L CA 2.782 57.643 54.840 0.036 0.000 0.764 308 L CB -2.644 39.427 42.059 0.020 0.000 0.897 308 L HN 0.677 nan 8.230 nan 0.000 0.436 309 S N -0.656 115.021 115.700 -0.038 0.000 2.395 309 S HA 0.144 4.614 4.470 0.001 0.000 0.225 309 S C 2.173 176.725 174.600 -0.081 0.000 1.027 309 S CA 1.818 59.982 58.200 -0.060 0.000 0.965 309 S CB -0.323 62.824 63.200 -0.088 0.000 0.812 309 S HN 0.972 nan 8.310 nan 0.000 0.482 310 E N 0.577 120.715 120.200 -0.103 0.000 2.364 310 E HA 0.216 4.567 4.350 0.001 0.000 0.196 310 E C 0.388 176.655 176.600 -0.556 0.000 0.990 310 E CA 0.152 56.388 56.400 -0.273 0.000 0.886 310 E CB -0.251 29.314 29.700 -0.226 0.000 0.866 310 E HN 0.843 nan 8.360 nan 0.000 0.493 311 H N -1.987 117.112 119.070 0.047 0.000 2.947 311 H HA 0.564 5.120 4.556 0.000 0.000 0.354 311 H C -0.554 174.794 175.328 0.034 0.000 1.085 311 H CA -0.272 55.806 56.048 0.049 0.000 1.253 311 H CB 1.639 31.440 29.762 0.065 0.000 1.757 311 H HN 0.252 nan 8.280 nan 0.000 0.523 312 S N 1.931 117.708 115.700 0.129 0.000 4.053 312 S HA 0.482 4.952 4.470 0.001 0.000 0.184 312 S C 0.090 174.738 174.600 0.080 0.000 1.324 312 S CA 0.184 58.432 58.200 0.079 0.000 0.956 312 S CB -1.465 61.769 63.200 0.056 0.000 1.503 312 S HN 0.514 nan 8.310 nan 0.000 0.440 313 F N 0.925 120.929 119.950 0.091 0.000 2.628 313 F HA 0.721 5.248 4.527 0.001 0.000 0.309 313 F C -1.094 174.738 175.800 0.054 0.000 1.108 313 F CA -1.589 56.449 58.000 0.063 0.000 0.971 313 F CB 0.478 39.506 39.000 0.048 0.000 1.279 313 F HN 0.537 nan 8.300 nan 0.000 0.441 314 I N 1.468 122.058 120.570 0.033 0.000 2.500 314 I HA 0.629 4.800 4.170 0.001 0.000 0.286 314 I C -3.120 173.003 176.117 0.010 0.000 1.063 314 I CA -2.531 58.784 61.300 0.025 0.000 1.062 314 I CB 1.531 39.545 38.000 0.023 0.000 1.223 314 I HN 0.368 nan 8.210 nan 0.000 0.435 315 P HA 0.078 nan 4.420 nan 0.000 0.257 315 P C 0.438 177.732 177.300 -0.009 0.000 1.162 315 P CA 0.691 63.783 63.100 -0.013 0.000 0.762 315 P CB 0.278 31.963 31.700 -0.025 0.000 0.753 316 E N 5.287 125.482 120.200 -0.008 0.000 2.459 316 E HA 0.066 4.416 4.350 0.001 0.000 0.264 316 E C -2.235 174.357 176.600 -0.014 0.000 1.055 316 E CA -1.302 55.094 56.400 -0.007 0.000 0.957 316 E CB -1.479 28.218 29.700 -0.005 0.000 0.952 316 E HN 0.381 nan 8.360 nan 0.000 0.448 317 P HA 0.188 nan 4.420 nan 0.000 0.266 317 P C -0.941 176.343 177.300 -0.027 0.000 1.215 317 P CA -0.138 62.950 63.100 -0.020 0.000 0.763 317 P CB 0.537 32.228 31.700 -0.015 0.000 0.806 318 K N 1.682 122.058 120.400 -0.040 0.000 2.249 318 K HA 0.334 4.654 4.320 0.001 0.000 0.280 318 K C 0.689 177.255 176.600 -0.056 0.000 1.033 318 K CA 0.280 56.536 56.287 -0.051 0.000 0.946 318 K CB 0.304 32.763 32.500 -0.069 0.000 1.005 318 K HN 0.215 nan 8.250 nan 0.000 0.469 319 S N 0.125 115.794 115.700 -0.051 0.000 2.749 319 S HA 0.170 4.641 4.470 0.001 0.000 0.246 319 S C -0.443 174.126 174.600 -0.051 0.000 1.023 319 S CA -0.472 57.701 58.200 -0.044 0.000 1.012 319 S CB 0.385 63.571 63.200 -0.024 0.000 0.942 319 S HN 0.433 nan 8.310 nan 0.000 0.531 320 S N -0.281 115.369 115.700 -0.083 0.000 2.603 320 S HA 0.266 4.736 4.470 0.001 0.000 0.274 320 S C 0.602 175.075 174.600 -0.211 0.000 1.168 320 S CA -0.555 57.585 58.200 -0.100 0.000 0.963 320 S CB 0.509 63.692 63.200 -0.029 0.000 1.078 320 S HN 0.309 nan 8.310 nan 0.000 0.477 321 c N 3.934 122.297 118.600 -0.396 0.000 2.450 321 c HA 0.080 4.650 4.570 0.001 0.000 0.279 321 c C 1.561 175.292 174.090 -0.598 0.000 1.335 321 c CA 0.440 56.387 56.329 -0.637 0.000 1.749 321 c CB -1.633 40.288 42.510 -0.982 0.000 1.963 321 c HN 0.927 nan 8.230 nan 0.000 0.501 322 Y N 0.393 120.660 120.300 -0.055 0.000 2.347 322 Y HA 0.200 4.750 4.550 0.001 0.000 0.274 322 Y C 1.144 177.027 175.900 -0.028 0.000 1.124 322 Y CA -0.135 57.953 58.100 -0.021 0.000 1.208 322 Y CB -0.862 37.606 38.460 0.013 0.000 1.142 322 Y HN -0.008 nan 8.280 nan 0.000 0.506 323 N N 1.841 120.646 118.700 0.175 0.000 2.416 323 N HA -0.000 4.740 4.740 0.001 0.000 0.291 323 N C -0.801 174.724 175.510 0.026 0.000 1.257 323 N CA 0.436 53.536 53.050 0.082 0.000 1.043 323 N CB -0.136 38.395 38.487 0.073 0.000 1.441 323 N HN 0.204 nan 8.380 nan 0.000 0.490 324 T N 0.485 115.045 114.554 0.009 0.000 3.316 324 T HA 0.133 4.483 4.350 0.001 0.000 0.341 324 T C 1.390 176.081 174.700 -0.016 0.000 1.397 324 T CA -0.297 61.790 62.100 -0.022 0.000 1.085 324 T CB -0.396 68.447 68.868 -0.042 0.000 1.160 324 T HN 0.677 nan 8.240 nan 0.000 0.694 325 H N 0.029 119.091 119.070 -0.013 0.000 2.533 325 H HA 0.492 5.048 4.556 0.001 0.000 0.271 325 H C 1.398 176.717 175.328 -0.015 0.000 1.000 325 H CA 0.509 56.551 56.048 -0.010 0.000 1.149 325 H CB -0.243 29.515 29.762 -0.005 0.000 1.375 325 H HN 0.702 nan 8.280 nan 0.000 0.582 326 E N 1.164 121.348 120.200 -0.026 0.000 2.452 326 E HA 0.426 4.776 4.350 0.001 0.000 0.293 326 E C 1.174 177.757 176.600 -0.029 0.000 1.535 326 E CA 0.118 56.500 56.400 -0.030 0.000 1.816 326 E CB -1.510 28.163 29.700 -0.045 0.000 1.494 326 E HN 0.973 nan 8.360 nan 0.000 0.464 327 K N 0.297 120.686 120.400 -0.019 0.000 3.277 327 K HA 0.329 4.649 4.320 0.001 0.000 0.291 327 K C 1.432 178.031 176.600 -0.001 0.000 0.994 327 K CA 0.506 56.785 56.287 -0.013 0.000 1.147 327 K CB -1.304 31.190 32.500 -0.009 0.000 1.185 327 K HN 0.657 nan 8.250 nan 0.000 0.422 328 R N 0.235 120.733 120.500 -0.003 0.000 3.732 328 R HA 0.521 4.861 4.340 0.001 0.000 0.258 328 R C 1.818 178.132 176.300 0.024 0.000 1.661 328 R CA 0.568 56.676 56.100 0.014 0.000 1.424 328 R CB -1.587 28.712 30.300 -0.000 0.000 1.308 328 R HN 1.011 nan 8.270 nan 0.000 0.634 329 I N -1.259 119.329 120.570 0.031 0.000 3.102 329 I HA -0.037 4.133 4.170 0.001 0.000 0.278 329 I C 1.975 178.146 176.117 0.090 0.000 1.316 329 I CA 1.622 62.942 61.300 0.033 0.000 1.425 329 I CB -1.268 36.745 38.000 0.022 0.000 1.073 329 I HN 0.743 nan 8.210 nan 0.000 0.503 330 Y N -0.245 120.030 120.300 -0.042 0.000 2.314 330 Y HA 0.040 4.590 4.550 0.000 0.000 0.294 330 Y C 2.486 178.351 175.900 -0.058 0.000 1.139 330 Y CA 1.313 59.385 58.100 -0.047 0.000 1.162 330 Y CB -0.236 38.199 38.460 -0.042 0.000 1.121 330 Y HN 0.449 nan 8.280 nan 0.000 0.529 331 Q N -0.084 119.595 119.800 -0.202 0.000 2.234 331 Q HA -0.169 4.171 4.340 0.001 0.000 0.206 331 Q C 2.197 178.066 176.000 -0.219 0.000 0.980 331 Q CA 1.585 57.220 55.803 -0.281 0.000 0.869 331 Q CB -0.103 28.560 28.738 -0.126 0.000 0.912 331 Q HN 0.396 nan 8.270 nan 0.000 0.436 332 S N 1.223 116.840 115.700 -0.138 0.000 2.404 332 S HA -0.204 4.266 4.470 0.001 0.000 0.216 332 S C 1.471 175.991 174.600 -0.133 0.000 1.039 332 S CA 1.603 59.742 58.200 -0.102 0.000 1.062 332 S CB -0.649 62.512 63.200 -0.064 0.000 1.046 332 S HN 0.499 nan 8.310 nan 0.000 0.415 333 N N 1.118 119.743 118.700 -0.125 0.000 2.144 333 N HA -0.311 4.429 4.740 0.001 0.000 0.195 333 N C 2.155 177.538 175.510 -0.211 0.000 1.006 333 N CA 1.870 54.846 53.050 -0.122 0.000 0.880 333 N CB -0.589 37.862 38.487 -0.060 0.000 1.018 333 N HN 0.472 nan 8.380 nan 0.000 0.443 334 M N 1.336 120.729 119.600 -0.344 0.000 2.059 334 M HA 0.009 4.490 4.480 0.001 0.000 0.259 334 M C 2.304 178.385 176.300 -0.366 0.000 1.072 334 M CA 1.507 56.557 55.300 -0.417 0.000 1.117 334 M CB -1.662 30.630 32.600 -0.513 0.000 1.320 334 M HN 0.252 nan 8.290 nan 0.000 0.408 335 L N 0.344 121.452 121.223 -0.192 0.000 1.978 335 L HA -0.340 4.001 4.340 0.001 0.000 0.218 335 L C 2.630 179.465 176.870 -0.059 0.000 1.075 335 L CA 2.490 57.302 54.840 -0.047 0.000 0.767 335 L CB -0.715 41.344 42.059 -0.001 0.000 0.890 335 L HN 0.731 nan 8.230 nan 0.000 0.434 336 N N 0.007 118.680 118.700 -0.045 0.000 2.322 336 N HA -0.252 4.488 4.740 0.001 0.000 0.189 336 N C 1.776 177.269 175.510 -0.028 0.000 1.012 336 N CA 1.750 54.819 53.050 0.032 0.000 0.880 336 N CB 0.112 38.630 38.487 0.052 0.000 0.967 336 N HN 0.413 nan 8.380 nan 0.000 0.439 337 R N -0.311 120.072 120.500 -0.194 0.000 2.193 337 R HA -0.062 4.279 4.340 0.001 0.000 0.213 337 R C 1.594 177.796 176.300 -0.164 0.000 1.055 337 R CA 1.013 56.968 56.100 -0.242 0.000 0.995 337 R CB -1.067 28.983 30.300 -0.417 0.000 0.893 337 R HN 0.330 nan 8.270 nan 0.000 0.459 338 Y N 0.171 120.483 120.300 0.021 0.000 2.343 338 Y HA 0.269 4.819 4.550 0.001 0.000 0.294 338 Y C 2.195 178.097 175.900 0.004 0.000 1.122 338 Y CA -0.050 58.062 58.100 0.020 0.000 1.173 338 Y CB -0.367 38.108 38.460 0.025 0.000 1.077 338 Y HN 0.000 nan 8.280 nan 0.000 0.542 339 L N -0.502 120.800 121.223 0.132 0.000 2.081 339 L HA -0.239 4.101 4.340 0.001 0.000 0.212 339 L C 2.038 178.880 176.870 -0.046 0.000 1.080 339 L CA 1.274 56.128 54.840 0.023 0.000 0.754 339 L CB -0.559 41.478 42.059 -0.036 0.000 0.893 339 L HN 0.178 nan 8.230 nan 0.000 0.433 340 I N 0.071 120.611 120.570 -0.050 0.000 3.241 340 I HA -0.181 3.989 4.170 0.001 0.000 0.280 340 I C 1.117 177.244 176.117 0.017 0.000 1.320 340 I CA 1.131 62.408 61.300 -0.037 0.000 1.413 340 I CB -0.457 37.558 38.000 0.025 0.000 1.060 340 I HN 0.232 nan 8.210 nan 0.000 0.500 341 N N -1.160 117.556 118.700 0.027 0.000 2.193 341 N HA 0.132 4.873 4.740 0.001 0.000 0.236 341 N C -0.792 174.739 175.510 0.035 0.000 1.347 341 N CA -0.038 53.036 53.050 0.040 0.000 0.812 341 N CB 0.706 39.243 38.487 0.083 0.000 1.297 341 N HN -0.110 nan 8.380 nan 0.000 0.499 342 V N 0.583 120.503 119.914 0.010 0.000 2.655 342 V HA 0.289 4.409 4.120 0.001 0.000 0.300 342 V C 0.763 176.877 176.094 0.034 0.000 1.044 342 V CA 0.039 62.359 62.300 0.033 0.000 1.095 342 V CB 1.169 33.010 31.823 0.030 0.000 0.952 342 V HN 0.145 nan 8.190 nan 0.000 0.485 343 T N 5.539 120.139 114.554 0.076 0.000 2.890 343 T HA 0.559 4.909 4.350 0.001 0.000 0.295 343 T C -1.288 173.509 174.700 0.162 0.000 0.993 343 T CA -0.339 61.811 62.100 0.084 0.000 0.979 343 T CB 0.320 69.212 68.868 0.039 0.000 0.967 343 T HN 0.532 nan 8.240 nan 0.000 0.441 344 F N 5.393 125.344 119.950 0.002 0.000 2.460 344 F HA 0.583 5.110 4.527 0.000 0.000 0.341 344 F C 0.632 176.437 175.800 0.008 0.000 1.130 344 F CA -0.543 57.469 58.000 0.020 0.000 0.962 344 F CB 0.551 39.575 39.000 0.040 0.000 1.171 344 F HN 0.898 nan 8.300 nan 0.000 0.436 345 E N 2.671 122.518 120.200 -0.590 0.000 3.259 345 E HA -0.318 4.033 4.350 0.001 0.000 0.332 345 E C 1.286 177.733 176.600 -0.256 0.000 1.477 345 E CA 1.245 57.316 56.400 -0.547 0.000 1.742 345 E CB -1.234 27.923 29.700 -0.905 0.000 1.842 345 E HN 0.845 nan 8.360 nan 0.000 0.499 346 G N 0.645 109.324 108.800 -0.200 0.000 2.418 346 G HA2 -0.074 3.886 3.960 0.001 0.000 0.217 346 G HA3 -0.074 3.886 3.960 0.001 0.000 0.217 346 G C 0.938 175.795 174.900 -0.072 0.000 1.158 346 G CA 1.497 46.533 45.100 -0.107 0.000 0.771 346 G HN 0.660 nan 8.290 nan 0.000 0.545 347 R N 0.573 121.049 120.500 -0.040 0.000 2.641 347 R HA 0.444 4.784 4.340 0.001 0.000 0.269 347 R C -0.379 175.920 176.300 -0.002 0.000 1.074 347 R CA 0.128 56.218 56.100 -0.017 0.000 1.133 347 R CB 0.067 30.377 30.300 0.018 0.000 1.029 347 R HN 0.330 nan 8.270 nan 0.000 0.488 348 D N 1.617 122.002 120.400 -0.026 0.000 2.308 348 D HA 0.282 4.922 4.640 0.001 0.000 0.242 348 D C -0.012 176.269 176.300 -0.032 0.000 1.059 348 D CA -0.600 53.394 54.000 -0.011 0.000 0.830 348 D CB 1.202 41.988 40.800 -0.022 0.000 1.161 348 D HN 0.401 nan 8.370 nan 0.000 0.494 349 L N 2.616 123.793 121.223 -0.078 0.000 3.110 349 L HA 0.191 4.531 4.340 0.001 0.000 0.266 349 L C 0.756 177.354 176.870 -0.454 0.000 1.257 349 L CA -0.584 54.104 54.840 -0.254 0.000 1.038 349 L CB -0.138 41.801 42.059 -0.200 0.000 1.395 349 L HN 0.273 nan 8.230 nan 0.000 0.566 350 S N -0.014 115.551 115.700 -0.225 0.000 2.562 350 S HA 0.431 4.901 4.470 0.001 0.000 0.281 350 S C -0.460 173.952 174.600 -0.313 0.000 1.333 350 S CA -0.212 57.865 58.200 -0.206 0.000 1.052 350 S CB 0.555 63.747 63.200 -0.013 0.000 0.884 350 S HN 0.128 nan 8.310 nan 0.000 0.506 351 F N 1.158 121.074 119.950 -0.058 0.000 2.440 351 F HA 0.524 5.051 4.527 0.000 0.000 0.328 351 F C 1.274 177.077 175.800 0.004 0.000 1.070 351 F CA -0.661 57.312 58.000 -0.044 0.000 1.011 351 F CB 1.857 40.750 39.000 -0.179 0.000 1.226 351 F HN 0.862 nan 8.300 nan 0.000 0.491 352 S N 0.704 116.588 115.700 0.306 0.000 2.681 352 S HA 0.392 4.863 4.470 0.001 0.000 0.270 352 S C 1.001 175.716 174.600 0.191 0.000 1.209 352 S CA -0.026 58.295 58.200 0.201 0.000 0.988 352 S CB 1.341 64.670 63.200 0.216 0.000 1.006 352 S HN 0.779 nan 8.310 nan 0.000 0.558 353 E N 0.556 120.837 120.200 0.135 0.000 2.085 353 E HA -0.159 4.192 4.350 0.001 0.000 0.194 353 E C 1.196 177.830 176.600 0.057 0.000 0.994 353 E CA 1.770 58.230 56.400 0.101 0.000 0.801 353 E CB -1.289 28.454 29.700 0.072 0.000 0.743 353 E HN 0.864 nan 8.360 nan 0.000 0.453 354 D N -0.605 119.819 120.400 0.040 0.000 2.324 354 D HA 0.248 4.889 4.640 0.001 0.000 0.235 354 D C 0.989 177.066 176.300 -0.371 0.000 1.095 354 D CA 0.727 54.673 54.000 -0.090 0.000 0.871 354 D CB 0.115 40.938 40.800 0.039 0.000 0.906 354 D HN 0.639 nan 8.370 nan 0.000 0.522 355 G N 0.820 109.504 108.800 -0.193 0.000 2.212 355 G HA2 -0.279 3.681 3.960 0.001 0.000 0.255 355 G HA3 -0.279 3.681 3.960 0.001 0.000 0.255 355 G C -0.386 174.272 174.900 -0.403 0.000 1.062 355 G CA -0.173 44.770 45.100 -0.261 0.000 0.815 355 G HN 0.297 nan 8.290 nan 0.000 0.497 356 Y N -1.020 119.356 120.300 0.126 0.000 2.567 356 Y HA 0.645 5.195 4.550 0.000 0.000 0.333 356 Y C 0.772 176.921 175.900 0.414 0.000 1.106 356 Y CA -1.070 57.133 58.100 0.173 0.000 1.157 356 Y CB 0.937 39.450 38.460 0.089 0.000 1.277 356 Y HN 0.213 nan 8.280 nan 0.000 0.490 357 Q N 1.268 121.413 119.800 0.575 0.000 2.337 357 Q HA 0.108 4.449 4.340 0.001 0.000 0.270 357 Q C 0.646 176.721 176.000 0.126 0.000 1.002 357 Q CA 0.009 56.014 55.803 0.337 0.000 0.888 357 Q CB 0.693 29.555 28.738 0.206 0.000 1.222 357 Q HN 0.814 nan 8.270 nan 0.000 0.400 358 M N 1.929 121.493 119.600 -0.061 0.000 2.248 358 M HA -0.043 4.437 4.480 0.001 0.000 0.265 358 M C 0.081 176.116 176.300 -0.441 0.000 1.079 358 M CA 1.064 56.192 55.300 -0.287 0.000 1.150 358 M CB 0.207 32.514 32.600 -0.487 0.000 1.366 358 M HN 0.546 nan 8.290 nan 0.000 0.433 359 H N 0.413 119.513 119.070 0.050 0.000 2.645 359 H HA 0.400 4.957 4.556 0.000 0.000 0.257 359 H C -2.444 172.926 175.328 0.069 0.000 1.269 359 H CA -1.837 54.254 56.048 0.073 0.000 1.409 359 H CB -0.041 29.738 29.762 0.029 0.000 1.434 359 H HN 0.113 nan 8.280 nan 0.000 0.505 360 P HA 0.295 nan 4.420 nan 0.000 0.290 360 P C 0.057 177.510 177.300 0.256 0.000 1.275 360 P CA -0.730 62.523 63.100 0.256 0.000 0.841 360 P CB 1.117 32.985 31.700 0.280 0.000 1.042 361 K N 2.940 123.427 120.400 0.145 0.000 2.276 361 K HA 0.447 4.768 4.320 0.001 0.000 0.285 361 K C -0.298 176.375 176.600 0.121 0.000 1.062 361 K CA -0.442 55.903 56.287 0.097 0.000 0.918 361 K CB -0.357 32.102 32.500 -0.068 0.000 1.055 361 K HN 0.489 nan 8.250 nan 0.000 0.477 362 L N 1.062 122.414 121.223 0.215 0.000 2.331 362 L HA 0.757 5.097 4.340 0.001 0.000 0.268 362 L C -0.486 176.468 176.870 0.139 0.000 1.015 362 L CA -1.576 53.365 54.840 0.169 0.000 0.807 362 L CB 2.209 44.335 42.059 0.113 0.000 1.293 362 L HN 0.405 nan 8.230 nan 0.000 0.451 363 V N 1.918 121.893 119.914 0.103 0.000 2.569 363 V HA 0.329 4.450 4.120 0.001 0.000 0.301 363 V C -0.458 175.691 176.094 0.092 0.000 1.044 363 V CA -0.482 61.876 62.300 0.097 0.000 0.874 363 V CB 2.094 33.956 31.823 0.065 0.000 1.002 363 V HN 0.392 nan 8.190 nan 0.000 0.424 364 I N 6.525 127.171 120.570 0.127 0.000 2.441 364 I HA 0.454 4.624 4.170 0.001 0.000 0.287 364 I C 0.196 176.406 176.117 0.155 0.000 1.049 364 I CA 0.308 61.691 61.300 0.139 0.000 1.381 364 I CB 0.876 38.987 38.000 0.185 0.000 1.409 364 I HN 0.568 nan 8.210 nan 0.000 0.523 365 I N 3.837 124.508 120.570 0.169 0.000 3.042 365 I HA 0.748 4.919 4.170 0.001 0.000 0.310 365 I C -1.662 174.720 176.117 0.441 0.000 1.117 365 I CA -1.212 60.240 61.300 0.253 0.000 1.003 365 I CB 2.412 40.525 38.000 0.188 0.000 1.228 365 I HN 0.338 nan 8.210 nan 0.000 0.443 366 L N 3.707 125.214 121.223 0.473 0.000 2.436 366 L HA 0.521 4.861 4.340 0.001 0.000 0.268 366 L C -1.359 175.513 176.870 0.003 0.000 0.974 366 L CA -0.681 54.326 54.840 0.278 0.000 0.826 366 L CB 1.788 43.866 42.059 0.032 0.000 1.291 366 L HN 0.674 nan 8.230 nan 0.000 0.406 367 L N 5.676 126.640 121.223 -0.431 0.000 2.407 367 L HA 0.325 4.666 4.340 0.001 0.000 0.282 367 L C 0.265 176.886 176.870 -0.414 0.000 1.110 367 L CA 0.248 54.575 54.840 -0.854 0.000 0.863 367 L CB -0.169 41.261 42.059 -1.049 0.000 1.207 367 L HN 0.911 nan 8.230 nan 0.000 0.454 368 N N 3.879 122.386 118.700 -0.322 0.000 2.385 368 N HA 0.349 5.089 4.740 0.001 0.000 0.291 368 N C 0.906 176.309 175.510 -0.178 0.000 1.298 368 N CA 0.486 53.416 53.050 -0.200 0.000 0.955 368 N CB 0.086 38.493 38.487 -0.133 0.000 1.096 368 N HN 0.288 nan 8.380 nan 0.000 0.543 369 K N -1.910 118.419 120.400 -0.118 0.000 2.098 369 K HA 0.135 4.456 4.320 0.001 0.000 0.203 369 K C 2.170 178.722 176.600 -0.081 0.000 1.051 369 K CA 1.598 57.831 56.287 -0.089 0.000 0.957 369 K CB -1.891 30.579 32.500 -0.049 0.000 0.738 369 K HN 0.769 nan 8.250 nan 0.000 0.447 370 E N 0.922 121.080 120.200 -0.070 0.000 2.516 370 E HA 0.019 4.369 4.350 0.001 0.000 0.199 370 E C 0.657 177.209 176.600 -0.080 0.000 1.069 370 E CA 0.432 56.797 56.400 -0.058 0.000 0.876 370 E CB -0.834 28.843 29.700 -0.037 0.000 0.843 370 E HN 0.558 nan 8.360 nan 0.000 0.530 371 R N -2.197 118.228 120.500 -0.126 0.000 3.418 371 R HA -0.125 4.215 4.340 0.001 0.000 0.274 371 R C 0.569 176.765 176.300 -0.174 0.000 1.108 371 R CA 0.867 56.861 56.100 -0.175 0.000 0.741 371 R CB -2.854 27.364 30.300 -0.136 0.000 1.223 371 R HN 0.643 nan 8.270 nan 0.000 0.434 372 K N 0.313 120.620 120.400 -0.155 0.000 2.245 372 K HA 0.608 4.929 4.320 0.001 0.000 0.234 372 K C -0.802 175.704 176.600 -0.156 0.000 1.021 372 K CA -0.165 56.071 56.287 -0.085 0.000 0.898 372 K CB 0.639 33.140 32.500 0.001 0.000 1.163 372 K HN 0.259 nan 8.250 nan 0.000 0.459 373 W N 1.588 122.902 121.300 0.022 0.000 2.391 373 W HA 0.386 5.046 4.660 0.000 0.000 0.311 373 W C 0.124 176.653 176.519 0.016 0.000 1.087 373 W CA -0.208 57.151 57.345 0.023 0.000 1.209 373 W CB 1.347 30.832 29.460 0.043 0.000 1.273 373 W HN 0.647 nan 8.180 nan 0.000 0.482 374 E N 1.825 122.152 120.200 0.212 0.000 2.231 374 E HA 0.540 4.890 4.350 0.001 0.000 0.277 374 E C 0.396 177.080 176.600 0.140 0.000 0.999 374 E CA -0.827 55.649 56.400 0.126 0.000 0.827 374 E CB 0.850 30.566 29.700 0.027 0.000 1.101 374 E HN 0.481 nan 8.360 nan 0.000 0.393 375 R N 1.061 121.631 120.500 0.116 0.000 2.442 375 R HA 0.235 4.576 4.340 0.001 0.000 0.291 375 R C 0.549 176.898 176.300 0.083 0.000 1.069 375 R CA 0.126 56.291 56.100 0.108 0.000 1.022 375 R CB -0.272 30.089 30.300 0.101 0.000 0.976 375 R HN 0.512 nan 8.270 nan 0.000 0.443 376 V N -1.237 118.728 119.914 0.086 0.000 3.355 376 V HA 0.687 4.808 4.120 0.001 0.000 0.330 376 V C 0.350 176.534 176.094 0.149 0.000 1.479 376 V CA 0.306 62.626 62.300 0.034 0.000 1.150 376 V CB 0.072 31.805 31.823 -0.150 0.000 1.044 376 V HN 1.595 nan 8.190 nan 0.000 0.501 377 G N -0.612 108.287 108.800 0.165 0.000 2.404 377 G HA2 0.673 4.633 3.960 0.001 0.000 0.298 377 G HA3 0.673 4.633 3.960 0.001 0.000 0.298 377 G C -1.259 173.742 174.900 0.168 0.000 1.577 377 G CA 0.154 45.366 45.100 0.187 0.000 0.847 377 G HN 0.740 nan 8.290 nan 0.000 0.598 378 K N 0.188 120.690 120.400 0.169 0.000 2.395 378 K HA 0.874 5.194 4.320 0.001 0.000 0.247 378 K C -1.339 175.414 176.600 0.256 0.000 0.973 378 K CA -0.766 55.624 56.287 0.173 0.000 0.828 378 K CB 2.446 35.013 32.500 0.112 0.000 1.272 378 K HN 1.568 nan 8.250 nan 0.000 0.439 379 W N 1.848 123.176 121.300 0.047 0.000 2.715 379 W HA 0.524 5.185 4.660 0.000 0.000 0.331 379 W C 0.052 176.592 176.519 0.035 0.000 1.031 379 W CA -0.262 57.110 57.345 0.046 0.000 1.237 379 W CB 1.165 30.660 29.460 0.058 0.000 1.378 379 W HN 1.006 nan 8.180 nan 0.000 0.454 380 K N 2.910 123.147 120.400 -0.272 0.000 2.167 380 K HA 0.206 4.526 4.320 0.001 0.000 0.214 380 K C -0.400 176.040 176.600 -0.267 0.000 1.024 380 K CA 1.140 57.322 56.287 -0.174 0.000 0.951 380 K CB -0.425 31.973 32.500 -0.169 0.000 0.907 380 K HN 0.365 nan 8.250 nan 0.000 0.459 381 D N -1.036 119.072 120.400 -0.486 0.000 2.319 381 D HA 0.423 5.064 4.640 0.001 0.000 0.237 381 D C -0.147 175.832 176.300 -0.534 0.000 1.353 381 D CA 0.838 54.623 54.000 -0.359 0.000 0.992 381 D CB 1.166 41.898 40.800 -0.113 0.000 1.368 381 D HN 0.563 nan 8.370 nan 0.000 0.564 382 K N 0.195 120.037 120.400 -0.929 0.000 3.495 382 K HA -0.214 4.106 4.320 0.001 0.000 0.315 382 K C 0.495 176.576 176.600 -0.866 0.000 1.301 382 K CA 2.031 57.820 56.287 -0.832 0.000 0.985 382 K CB -2.611 29.764 32.500 -0.207 0.000 1.244 382 K HN 0.851 nan 8.250 nan 0.000 0.433 383 S N 0.130 115.259 115.700 -0.952 0.000 2.488 383 S HA 0.694 5.165 4.470 0.001 0.000 0.310 383 S C -0.043 174.298 174.600 -0.432 0.000 1.093 383 S CA -0.033 57.859 58.200 -0.513 0.000 1.129 383 S CB 0.668 63.670 63.200 -0.331 0.000 0.989 383 S HN 1.405 nan 8.310 nan 0.000 0.479 384 L N 3.390 124.494 121.223 -0.200 0.000 2.282 384 L HA 0.411 4.751 4.340 0.001 0.000 0.287 384 L C 0.107 177.015 176.870 0.062 0.000 1.075 384 L CA -0.133 54.755 54.840 0.079 0.000 0.839 384 L CB 1.132 43.359 42.059 0.281 0.000 1.219 384 L HN 0.712 nan 8.230 nan 0.000 0.434 385 Q N 5.059 124.898 119.800 0.065 0.000 2.360 385 Q HA 0.421 4.762 4.340 0.001 0.000 0.254 385 Q C -0.971 175.092 176.000 0.105 0.000 0.975 385 Q CA -0.649 55.186 55.803 0.054 0.000 0.912 385 Q CB 0.904 29.658 28.738 0.027 0.000 1.212 385 Q HN 0.576 nan 8.270 nan 0.000 0.452 386 M N 2.812 122.473 119.600 0.102 0.000 2.471 386 M HA 0.291 4.771 4.480 0.001 0.000 0.309 386 M C 0.860 177.258 176.300 0.163 0.000 1.186 386 M CA 0.061 55.466 55.300 0.175 0.000 1.008 386 M CB 1.103 33.851 32.600 0.246 0.000 1.551 386 M HN 0.743 nan 8.290 nan 0.000 0.477 387 K N 1.523 122.091 120.400 0.281 0.000 2.323 387 K HA 0.131 4.452 4.320 0.001 0.000 0.197 387 K C 0.186 177.081 176.600 0.491 0.000 1.043 387 K CA 0.952 57.460 56.287 0.368 0.000 0.997 387 K CB -0.047 32.739 32.500 0.477 0.000 0.807 387 K HN 0.678 nan 8.250 nan 0.000 0.497 388 Y N -1.937 118.428 120.300 0.109 0.000 2.468 388 Y HA 0.408 4.959 4.550 0.000 0.000 0.342 388 Y C 0.615 176.592 175.900 0.129 0.000 1.021 388 Y CA -1.359 56.822 58.100 0.136 0.000 1.079 388 Y CB 1.977 40.515 38.460 0.129 0.000 1.226 388 Y HN 0.037 nan 8.280 nan 0.000 0.460 389 Y N 0.494 120.939 120.300 0.242 0.000 2.389 389 Y HA 0.085 4.635 4.550 0.000 0.000 0.292 389 Y C 0.535 176.559 175.900 0.206 0.000 1.117 389 Y CA 0.339 58.521 58.100 0.137 0.000 1.195 389 Y CB 0.652 39.139 38.460 0.045 0.000 1.076 389 Y HN 0.179 nan 8.280 nan 0.000 0.548 390 V N 0.736 120.896 119.914 0.410 0.000 2.350 390 V HA -0.000 4.120 4.120 0.001 0.000 0.276 390 V C -0.243 176.126 176.094 0.458 0.000 1.028 390 V CA -1.248 61.273 62.300 0.370 0.000 0.860 390 V CB 0.375 32.344 31.823 0.242 0.000 0.990 390 V HN 0.243 nan 8.190 nan 0.000 0.453 391 W N 7.321 128.812 121.300 0.318 0.000 2.381 391 W HA 0.232 4.892 4.660 0.001 0.000 0.321 391 W C -2.169 174.455 176.519 0.175 0.000 1.407 391 W CA -1.356 56.100 57.345 0.185 0.000 1.274 391 W CB 0.882 30.366 29.460 0.038 0.000 1.310 391 W HN 0.453 nan 8.180 nan 0.000 0.551 392 P HA 0.137 nan 4.420 nan 0.000 0.269 392 P C -0.606 176.596 177.300 -0.164 0.000 1.217 392 P CA 0.347 63.268 63.100 -0.298 0.000 0.783 392 P CB 0.335 31.745 31.700 -0.483 0.000 0.898 393 R N 2.145 122.643 120.500 -0.003 0.000 2.437 393 R HA 0.638 4.978 4.340 0.001 0.000 0.310 393 R C -0.265 176.072 176.300 0.062 0.000 0.955 393 R CA -0.595 55.566 56.100 0.102 0.000 0.851 393 R CB 0.532 30.968 30.300 0.227 0.000 1.161 393 R HN 0.419 nan 8.270 nan 0.000 0.446 394 M N 0.000 119.602 119.600 0.003 0.000 2.572 394 M HA 0.000 4.480 4.480 0.001 0.000 0.227 394 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 394 M CB 0.000 32.527 32.600 -0.122 0.000 1.302 394 M HN 0.000 nan 8.290 nan 0.000 0.411