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 2c2b_1_A DATA FIRST_RESID 36 DATA SEQUENCE VNPFSAKYVP FNAAPGSTES YSLDEIVYRS RSGGLLDVEH DMEALKRFDG DATA SEQUENCE AYWRDLFDSR VGKSTWPYGS GVWSKKEWVL PEIDDDDIVS AFEGNSNLFW DATA SEQUENCE AERFGKQFLG MNDLWVKHCG ISHTGSFXDL GMTVLVSQVN RLRKMKRPVV DATA SEQUENCE GVGCASTGDT SAALSAYCAS AGIPSIVFLP ANKISMAQLV QPIANGAFVL DATA SEQUENCE SIDTDFDGCM KLIREITAEL PIYLANSLNS LRLEGQKTAA IEILQQFDWQ DATA SEQUENCE VPDWVIVPGG NLGNIYAFYK GFKMCQELGL VDRIPRMVCA QAANANPLYL DATA SEQUENCE HYKSGWKDFK PMTASTTFAS AIQIGDPVSI DRAVYALKKC NGIVEEATEE DATA SEQUENCE ELMDAMAQAD STGMFICPHT GVALTALFKL RNQGVIAPTD RTVVVSTAHG DATA SEQUENCE LKFTQSKIDY HSNAIPDMAC RFSNPPVDVK ADFGAVMDVL KSYLG 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 36 V HA 0.000 nan 4.120 nan 0.000 0.244 36 V C 0.000 176.067 176.094 -0.045 0.000 1.182 36 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 36 V CB 0.000 31.825 31.823 0.004 0.000 1.184 37 N N 3.215 121.893 118.700 -0.037 0.000 2.437 37 N HA 0.394 5.134 4.740 -0.000 0.000 0.243 37 N C -1.267 174.159 175.510 -0.141 0.000 1.041 37 N CA -1.390 51.623 53.050 -0.061 0.000 0.940 37 N CB 1.666 40.172 38.487 0.033 0.000 1.133 37 N HN 0.315 nan 8.380 nan 0.000 0.506 38 P HA 0.172 nan 4.420 nan 0.000 0.245 38 P C -0.646 176.483 177.300 -0.285 0.000 1.203 38 P CA 0.244 63.114 63.100 -0.383 0.000 0.792 38 P CB 0.200 31.590 31.700 -0.517 0.000 0.997 39 F N 1.372 121.416 119.950 0.157 0.000 2.379 39 F HA 0.537 5.064 4.527 -0.000 0.000 0.332 39 F C 1.219 177.106 175.800 0.145 0.000 1.096 39 F CA -0.682 57.423 58.000 0.175 0.000 1.105 39 F CB 0.999 40.139 39.000 0.232 0.000 1.189 39 F HN -0.130 nan 8.300 nan 0.000 0.515 40 S N 0.754 116.643 115.700 0.316 0.000 2.625 40 S HA 0.964 5.434 4.470 -0.000 0.000 0.271 40 S C -1.324 173.353 174.600 0.128 0.000 1.161 40 S CA -0.621 57.691 58.200 0.186 0.000 0.820 40 S CB 1.739 65.002 63.200 0.105 0.000 1.137 40 S HN 1.218 nan 8.310 nan 0.000 0.470 41 A N 0.900 123.721 122.820 0.003 0.000 2.587 41 A HA 0.961 5.281 4.320 -0.000 0.000 0.293 41 A C -1.150 176.323 177.584 -0.185 0.000 1.087 41 A CA -0.879 51.038 52.037 -0.199 0.000 0.692 41 A CB 1.672 20.392 19.000 -0.467 0.000 1.291 41 A HN 1.308 nan 8.150 nan 0.000 0.407 42 K N 0.084 120.348 120.400 -0.227 0.000 2.555 42 K HA 0.591 4.912 4.320 -0.000 0.000 0.279 42 K C -1.784 174.722 176.600 -0.157 0.000 0.986 42 K CA -0.795 55.391 56.287 -0.169 0.000 0.880 42 K CB 0.842 33.308 32.500 -0.056 0.000 1.474 42 K HN 0.447 nan 8.250 nan 0.000 0.433 43 Y N 0.221 120.554 120.300 0.054 0.000 2.336 43 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 43 Y C 0.167 176.128 175.900 0.101 0.000 1.211 43 Y CA -0.148 58.014 58.100 0.104 0.000 1.346 43 Y CB 1.494 40.066 38.460 0.187 0.000 1.271 43 Y HN 0.314 nan 8.280 nan 0.000 0.538 44 V N 4.096 124.187 119.914 0.294 0.000 2.969 44 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 44 V C -2.515 173.679 176.094 0.165 0.000 1.192 44 V CA -2.417 59.979 62.300 0.160 0.000 0.962 44 V CB 2.718 34.586 31.823 0.074 0.000 1.045 44 V HN 0.509 nan 8.190 nan 0.000 0.428 45 P HA 0.101 nan 4.420 nan 0.000 0.267 45 P C -0.569 176.777 177.300 0.077 0.000 1.205 45 P CA 0.035 63.197 63.100 0.104 0.000 0.765 45 P CB 0.088 31.821 31.700 0.055 0.000 0.828 46 F N 4.028 123.967 119.950 -0.019 0.000 2.623 46 F HA 0.008 4.535 4.527 0.000 0.000 0.383 46 F C 1.010 176.737 175.800 -0.123 0.000 1.077 46 F CA 0.079 58.032 58.000 -0.080 0.000 1.268 46 F CB -0.499 38.423 39.000 -0.130 0.000 1.053 46 F HN 0.414 nan 8.300 nan 0.000 0.571 47 N N 3.602 121.686 118.700 -1.028 0.000 2.667 47 N HA -0.232 4.508 4.740 -0.000 0.000 0.263 47 N C -0.850 174.373 175.510 -0.479 0.000 1.038 47 N CA 0.592 53.047 53.050 -0.991 0.000 0.749 47 N CB -1.061 36.457 38.487 -1.614 0.000 0.892 47 N HN 1.012 nan 8.380 nan 0.000 0.546 48 A N 0.715 123.374 122.820 -0.268 0.000 2.498 48 A HA 0.592 4.912 4.320 -0.000 0.000 0.239 48 A C 1.110 178.625 177.584 -0.116 0.000 1.068 48 A CA 0.228 52.179 52.037 -0.144 0.000 0.766 48 A CB 0.160 19.111 19.000 -0.081 0.000 1.003 48 A HN 0.957 nan 8.150 nan 0.000 0.497 49 A N 3.625 126.396 122.820 -0.081 0.000 2.448 49 A HA 0.519 4.839 4.320 -0.000 0.000 0.239 49 A C -1.847 175.712 177.584 -0.042 0.000 1.080 49 A CA -0.967 51.036 52.037 -0.056 0.000 0.779 49 A CB -0.619 18.359 19.000 -0.038 0.000 1.026 49 A HN 0.745 nan 8.150 nan 0.000 0.499 50 P HA 0.169 nan 4.420 nan 0.000 0.262 50 P C 0.713 178.001 177.300 -0.020 0.000 1.199 50 P CA 1.471 64.558 63.100 -0.022 0.000 0.763 50 P CB 0.278 31.970 31.700 -0.014 0.000 0.790 51 G N 2.056 110.844 108.800 -0.020 0.000 2.160 51 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.251 51 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.251 51 G C 0.359 175.245 174.900 -0.024 0.000 1.008 51 G CA 0.256 45.344 45.100 -0.019 0.000 0.724 51 G HN 0.814 nan 8.290 nan 0.000 0.514 52 S N -0.290 115.393 115.700 -0.029 0.000 2.562 52 S HA 0.493 4.963 4.470 -0.000 0.000 0.281 52 S C 1.721 176.297 174.600 -0.040 0.000 1.333 52 S CA 1.077 59.257 58.200 -0.033 0.000 1.052 52 S CB 0.715 63.893 63.200 -0.036 0.000 0.884 52 S HN 1.065 nan 8.310 nan 0.000 0.506 53 T N 1.077 115.602 114.554 -0.048 0.000 3.069 53 T HA 0.267 4.617 4.350 -0.000 0.000 0.252 53 T C 0.445 175.084 174.700 -0.100 0.000 1.053 53 T CA -0.300 61.764 62.100 -0.061 0.000 0.964 53 T CB -0.166 68.671 68.868 -0.051 0.000 1.005 53 T HN 0.711 nan 8.240 nan 0.000 0.532 54 E N 2.592 122.727 120.200 -0.110 0.000 2.265 54 E HA 0.313 4.663 4.350 -0.000 0.000 0.272 54 E C -0.384 176.068 176.600 -0.247 0.000 1.067 54 E CA -0.243 56.040 56.400 -0.196 0.000 0.900 54 E CB 0.282 29.913 29.700 -0.116 0.000 1.017 54 E HN 0.578 nan 8.360 nan 0.000 0.431 55 S N 3.578 119.017 115.700 -0.434 0.000 2.596 55 S HA 0.571 5.041 4.470 -0.000 0.000 0.270 55 S C -1.418 172.811 174.600 -0.619 0.000 1.155 55 S CA -0.875 57.115 58.200 -0.351 0.000 0.827 55 S CB 0.894 64.011 63.200 -0.138 0.000 1.130 55 S HN 0.420 nan 8.310 nan 0.000 0.467 56 Y N -0.074 120.287 120.300 0.101 0.000 2.504 56 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 56 Y C 0.486 176.463 175.900 0.129 0.000 1.023 56 Y CA -0.892 57.280 58.100 0.120 0.000 1.020 56 Y CB 2.078 40.626 38.460 0.148 0.000 1.282 56 Y HN 0.847 nan 8.280 nan 0.000 0.454 57 S N 1.878 117.719 115.700 0.236 0.000 2.558 57 S HA 0.094 4.564 4.470 -0.000 0.000 0.288 57 S C 1.099 175.792 174.600 0.154 0.000 1.318 57 S CA -0.314 57.965 58.200 0.132 0.000 1.056 57 S CB 0.310 63.570 63.200 0.100 0.000 0.853 57 S HN 0.758 nan 8.310 nan 0.000 0.505 58 L N 2.866 124.076 121.223 -0.023 0.000 2.265 58 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 58 L C 1.498 178.423 176.870 0.092 0.000 1.117 58 L CA 0.841 55.608 54.840 -0.121 0.000 0.782 58 L CB -0.442 41.480 42.059 -0.228 0.000 0.914 58 L HN 0.608 nan 8.230 nan 0.000 0.441 59 D N -0.296 120.156 120.400 0.087 0.000 2.347 59 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 59 D C 0.812 177.178 176.300 0.111 0.000 0.976 59 D CA 0.548 54.600 54.000 0.088 0.000 0.884 59 D CB -0.016 40.820 40.800 0.061 0.000 0.915 59 D HN 0.200 nan 8.370 nan 0.000 0.526 60 E N 0.357 120.648 120.200 0.152 0.000 2.316 60 E HA 0.154 4.504 4.350 -0.000 0.000 0.275 60 E C -0.237 176.390 176.600 0.044 0.000 1.029 60 E CA -0.170 56.289 56.400 0.098 0.000 0.871 60 E CB 0.506 30.280 29.700 0.123 0.000 1.022 60 E HN 0.061 nan 8.360 nan 0.000 0.418 61 I N 5.539 126.079 120.570 -0.049 0.000 2.278 61 I HA 0.167 4.337 4.170 -0.000 0.000 0.296 61 I C -0.803 175.014 176.117 -0.500 0.000 1.121 61 I CA -0.355 60.836 61.300 -0.181 0.000 1.267 61 I CB -0.077 37.888 38.000 -0.060 0.000 1.447 61 I HN 0.148 nan 8.210 nan 0.000 0.509 62 V N 5.313 124.761 119.914 -0.777 0.000 3.049 62 V HA 0.335 4.455 4.120 -0.000 0.000 0.309 62 V C -0.595 174.832 176.094 -1.112 0.000 1.148 62 V CA -0.574 61.193 62.300 -0.889 0.000 0.990 62 V CB 1.901 33.254 31.823 -0.782 0.000 1.039 62 V HN 0.493 nan 8.190 nan 0.000 0.430 63 Y N 0.514 120.601 120.300 -0.356 0.000 2.441 63 Y HA 0.486 5.035 4.550 -0.000 0.000 0.266 63 Y C 0.995 176.759 175.900 -0.228 0.000 1.093 63 Y CA -0.455 57.471 58.100 -0.289 0.000 1.246 63 Y CB 0.920 39.237 38.460 -0.238 0.000 1.262 63 Y HN 0.414 nan 8.280 nan 0.000 0.518 64 R N -0.052 120.384 120.500 -0.108 0.000 2.836 64 R HA 0.534 4.874 4.340 -0.000 0.000 0.269 64 R C -0.360 175.879 176.300 -0.101 0.000 1.010 64 R CA -0.577 55.480 56.100 -0.072 0.000 0.930 64 R CB 1.958 32.243 30.300 -0.024 0.000 1.218 64 R HN 0.076 nan 8.270 nan 0.000 0.473 65 S N -0.113 115.582 115.700 -0.009 0.000 2.686 65 S HA 0.267 4.737 4.470 -0.000 0.000 0.270 65 S C 1.051 175.688 174.600 0.061 0.000 1.194 65 S CA -0.779 57.462 58.200 0.067 0.000 0.990 65 S CB 1.150 64.416 63.200 0.111 0.000 1.029 65 S HN 0.579 nan 8.310 nan 0.000 0.560 66 R N 0.776 121.346 120.500 0.116 0.000 2.103 66 R HA -0.102 4.238 4.340 -0.000 0.000 0.242 66 R C 2.501 178.831 176.300 0.050 0.000 1.142 66 R CA 1.815 57.965 56.100 0.084 0.000 0.960 66 R CB -0.927 29.430 30.300 0.094 0.000 0.858 66 R HN 0.886 nan 8.270 nan 0.000 0.439 67 S N -0.978 114.752 115.700 0.050 0.000 2.561 67 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 67 S C 1.422 176.043 174.600 0.035 0.000 0.977 67 S CA 0.643 58.867 58.200 0.040 0.000 0.926 67 S CB 0.477 63.702 63.200 0.041 0.000 0.769 67 S HN 0.564 nan 8.310 nan 0.000 0.533 68 G N 0.246 109.065 108.800 0.031 0.000 2.176 68 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.253 68 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.253 68 G C 0.467 175.384 174.900 0.028 0.000 0.979 68 G CA -0.082 45.031 45.100 0.022 0.000 0.641 68 G HN 1.045 nan 8.290 nan 0.000 0.530 69 G N -0.706 108.121 108.800 0.045 0.000 2.588 69 G HA2 0.605 4.565 3.960 -0.000 0.000 0.278 69 G HA3 0.605 4.565 3.960 -0.000 0.000 0.278 69 G C 0.470 175.399 174.900 0.050 0.000 1.307 69 G CA -0.572 44.565 45.100 0.061 0.000 1.016 69 G HN 0.654 nan 8.290 nan 0.000 0.503 70 L N -0.685 120.573 121.223 0.057 0.000 2.439 70 L HA 0.314 4.654 4.340 -0.000 0.000 0.261 70 L C -0.105 176.818 176.870 0.087 0.000 1.153 70 L CA -0.909 53.947 54.840 0.027 0.000 0.808 70 L CB 0.846 42.862 42.059 -0.071 0.000 1.126 70 L HN 0.156 nan 8.230 nan 0.000 0.460 71 L N 0.909 122.169 121.223 0.061 0.000 2.352 71 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 71 L C -0.431 176.554 176.870 0.192 0.000 1.034 71 L CA -0.071 54.839 54.840 0.117 0.000 0.806 71 L CB 1.298 43.353 42.059 -0.007 0.000 1.244 71 L HN 0.472 nan 8.230 nan 0.000 0.447 72 D N -0.099 120.457 120.400 0.260 0.000 2.601 72 D HA 0.390 5.030 4.640 -0.000 0.000 0.230 72 D C -0.996 175.452 176.300 0.246 0.000 1.106 72 D CA -0.259 53.901 54.000 0.268 0.000 0.873 72 D CB 2.668 43.634 40.800 0.278 0.000 1.515 72 D HN 0.041 nan 8.370 nan 0.000 0.468 73 V N 1.737 121.746 119.914 0.159 0.000 2.427 73 V HA 0.132 4.252 4.120 -0.000 0.000 0.268 73 V C 0.468 176.520 176.094 -0.070 0.000 1.046 73 V CA -0.027 62.250 62.300 -0.039 0.000 0.970 73 V CB 0.807 32.556 31.823 -0.124 0.000 1.001 73 V HN 0.379 nan 8.190 nan 0.000 0.476 74 E N 4.852 124.980 120.200 -0.119 0.000 2.133 74 E HA 0.316 4.666 4.350 -0.000 0.000 0.274 74 E C -0.723 175.763 176.600 -0.190 0.000 0.930 74 E CA -0.675 55.674 56.400 -0.085 0.000 0.770 74 E CB 0.722 30.410 29.700 -0.021 0.000 1.104 74 E HN 0.727 nan 8.360 nan 0.000 0.403 75 H N 2.351 121.388 119.070 -0.054 0.000 2.482 75 H HA 0.047 4.603 4.556 0.000 0.000 0.344 75 H C -0.536 174.769 175.328 -0.038 0.000 1.151 75 H CA -0.423 55.593 56.048 -0.055 0.000 1.300 75 H CB 1.325 31.015 29.762 -0.120 0.000 1.494 75 H HN 0.540 nan 8.280 nan 0.000 0.542 76 D N 2.766 123.244 120.400 0.130 0.000 2.367 76 D HA -0.037 4.603 4.640 -0.000 0.000 0.255 76 D C 1.000 177.358 176.300 0.096 0.000 1.300 76 D CA -0.137 53.925 54.000 0.103 0.000 0.959 76 D CB 0.399 41.277 40.800 0.131 0.000 1.064 76 D HN 0.308 nan 8.370 nan 0.000 0.509 77 M N 2.176 121.797 119.600 0.036 0.000 2.319 77 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 77 M C 1.754 178.084 176.300 0.049 0.000 1.068 77 M CA 0.842 56.138 55.300 -0.005 0.000 1.118 77 M CB -0.606 31.968 32.600 -0.045 0.000 1.395 77 M HN 0.556 nan 8.290 nan 0.000 0.435 78 E N 0.390 120.629 120.200 0.065 0.000 2.077 78 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 78 E C 1.940 178.621 176.600 0.135 0.000 0.989 78 E CA 1.397 57.842 56.400 0.076 0.000 0.800 78 E CB 0.176 29.907 29.700 0.052 0.000 0.746 78 E HN 0.436 nan 8.360 nan 0.000 0.452 79 A N 0.635 123.573 122.820 0.195 0.000 1.929 79 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 79 A C 2.136 180.070 177.584 0.582 0.000 1.176 79 A CA 0.714 52.939 52.037 0.314 0.000 0.628 79 A CB -0.436 18.748 19.000 0.306 0.000 0.816 79 A HN 0.266 nan 8.150 nan 0.000 0.444 80 L N -0.782 120.743 121.223 0.503 0.000 2.093 80 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 80 L C 2.250 179.466 176.870 0.578 0.000 1.085 80 L CA 1.291 56.449 54.840 0.531 0.000 0.755 80 L CB -0.309 41.748 42.059 -0.004 0.000 0.904 80 L HN 0.273 nan 8.230 nan 0.000 0.435 81 K N -0.253 120.336 120.400 0.315 0.000 2.504 81 K HA -0.038 4.282 4.320 -0.000 0.000 0.195 81 K C 1.730 178.444 176.600 0.190 0.000 1.036 81 K CA 0.275 56.702 56.287 0.232 0.000 0.984 81 K CB 0.100 32.662 32.500 0.104 0.000 0.788 81 K HN 0.168 nan 8.250 nan 0.000 0.488 82 R N 0.075 120.700 120.500 0.209 0.000 2.339 82 R HA 0.025 4.365 4.340 -0.000 0.000 0.199 82 R C -0.185 175.846 176.300 -0.447 0.000 1.018 82 R CA 0.645 56.684 56.100 -0.102 0.000 1.036 82 R CB -0.079 30.127 30.300 -0.156 0.000 0.899 82 R HN 0.064 nan 8.270 nan 0.000 0.473 83 F N 1.101 121.086 119.950 0.058 0.000 2.507 83 F HA 0.146 4.673 4.527 0.000 0.000 0.328 83 F C 0.190 176.027 175.800 0.061 0.000 1.136 83 F CA -1.893 56.007 58.000 -0.168 0.000 0.930 83 F CB 1.335 39.961 39.000 -0.623 0.000 1.166 83 F HN -0.075 nan 8.300 nan 0.000 0.436 84 D N 1.118 121.593 120.400 0.126 0.000 2.371 84 D HA 0.215 4.855 4.640 -0.000 0.000 0.242 84 D C 1.448 177.908 176.300 0.268 0.000 1.218 84 D CA -0.356 53.747 54.000 0.172 0.000 0.945 84 D CB 0.578 41.417 40.800 0.066 0.000 1.137 84 D HN 0.589 nan 8.370 nan 0.000 0.464 85 G N -0.422 108.508 108.800 0.217 0.000 2.469 85 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 85 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 85 G C 1.499 176.409 174.900 0.015 0.000 1.136 85 G CA 1.407 46.604 45.100 0.161 0.000 0.759 85 G HN 0.680 nan 8.290 nan 0.000 0.562 86 A N 0.121 122.938 122.820 -0.005 0.000 1.892 86 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 86 A C 2.208 179.740 177.584 -0.085 0.000 1.188 86 A CA 1.867 53.870 52.037 -0.057 0.000 0.631 86 A CB -0.755 18.233 19.000 -0.020 0.000 0.822 86 A HN 0.529 nan 8.150 nan 0.000 0.447 87 Y N -1.165 119.025 120.300 -0.183 0.000 2.145 87 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 87 Y C 2.175 177.803 175.900 -0.454 0.000 1.145 87 Y CA 1.986 59.901 58.100 -0.310 0.000 1.148 87 Y CB -0.496 37.759 38.460 -0.342 0.000 0.981 87 Y HN 0.459 nan 8.280 nan 0.000 0.507 88 W N 0.485 121.636 121.300 -0.247 0.000 2.358 88 W HA -0.136 4.524 4.660 -0.000 0.000 0.303 88 W C 2.627 178.646 176.519 -0.832 0.000 1.208 88 W CA 1.343 58.274 57.345 -0.690 0.000 1.274 88 W CB -0.381 28.821 29.460 -0.430 0.000 1.138 88 W HN -0.137 nan 8.180 nan 0.000 0.515 89 R N 0.275 120.533 120.500 -0.403 0.000 2.080 89 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 89 R C 1.668 177.872 176.300 -0.161 0.000 1.137 89 R CA 1.935 57.737 56.100 -0.497 0.000 0.943 89 R CB -0.829 29.050 30.300 -0.702 0.000 0.846 89 R HN 0.157 nan 8.270 nan 0.000 0.431 90 D N 0.691 120.951 120.400 -0.234 0.000 2.144 90 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 90 D C 1.878 178.019 176.300 -0.265 0.000 0.984 90 D CA 0.845 54.728 54.000 -0.196 0.000 0.834 90 D CB -0.182 40.482 40.800 -0.227 0.000 0.955 90 D HN 0.059 nan 8.370 nan 0.000 0.465 91 L N -0.115 120.807 121.223 -0.501 0.000 2.005 91 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 91 L C 2.188 178.930 176.870 -0.212 0.000 1.072 91 L CA 1.493 56.014 54.840 -0.533 0.000 0.744 91 L CB -0.757 40.762 42.059 -0.901 0.000 0.895 91 L HN -0.021 nan 8.230 nan 0.000 0.433 92 F N -0.543 119.328 119.950 -0.130 0.000 2.234 92 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 92 F C 2.109 177.923 175.800 0.023 0.000 1.087 92 F CA 0.454 58.424 58.000 -0.051 0.000 1.340 92 F CB -0.242 38.770 39.000 0.021 0.000 1.031 92 F HN 0.194 nan 8.300 nan 0.000 0.500 93 D N -0.123 120.426 120.400 0.249 0.000 2.183 93 D HA -0.122 4.518 4.640 -0.000 0.000 0.203 93 D C 2.306 178.649 176.300 0.072 0.000 0.969 93 D CA 1.508 55.611 54.000 0.171 0.000 0.842 93 D CB -0.386 40.538 40.800 0.206 0.000 0.957 93 D HN 0.199 nan 8.370 nan 0.000 0.484 94 S N 0.049 115.760 115.700 0.019 0.000 2.507 94 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 94 S C 1.590 176.196 174.600 0.011 0.000 0.988 94 S CA 0.442 58.635 58.200 -0.012 0.000 0.944 94 S CB -0.023 63.132 63.200 -0.075 0.000 0.762 94 S HN 0.218 nan 8.310 nan 0.000 0.526 95 R N 0.790 121.312 120.500 0.037 0.000 2.419 95 R HA 0.243 4.583 4.340 -0.000 0.000 0.235 95 R C 0.070 176.431 176.300 0.102 0.000 0.899 95 R CA 0.366 56.509 56.100 0.072 0.000 1.048 95 R CB 0.419 30.751 30.300 0.054 0.000 1.182 95 R HN 0.469 nan 8.270 nan 0.000 0.544 96 V N 0.594 120.549 119.914 0.068 0.000 2.434 96 V HA 0.338 4.458 4.120 -0.000 0.000 0.281 96 V C 0.944 177.082 176.094 0.074 0.000 1.005 96 V CA 0.354 62.680 62.300 0.043 0.000 1.089 96 V CB -0.083 31.734 31.823 -0.011 0.000 0.978 96 V HN 0.526 nan 8.190 nan 0.000 0.474 97 G N 3.061 111.933 108.800 0.121 0.000 2.295 97 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.287 97 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.287 97 G C 0.049 175.071 174.900 0.203 0.000 1.055 97 G CA 0.374 45.595 45.100 0.202 0.000 0.922 97 G HN 0.863 nan 8.290 nan 0.000 0.503 98 K N -0.249 120.275 120.400 0.206 0.000 2.238 98 K HA 0.631 4.951 4.320 -0.000 0.000 0.239 98 K C 1.512 178.208 176.600 0.159 0.000 0.987 98 K CA -0.196 56.186 56.287 0.158 0.000 0.857 98 K CB 1.392 33.972 32.500 0.133 0.000 1.154 98 K HN 0.398 nan 8.250 nan 0.000 0.439 99 S N -0.851 114.911 115.700 0.105 0.000 2.522 99 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 99 S C 0.519 175.185 174.600 0.109 0.000 0.986 99 S CA 0.172 58.410 58.200 0.064 0.000 0.929 99 S CB -0.349 62.872 63.200 0.035 0.000 0.769 99 S HN 0.520 nan 8.310 nan 0.000 0.529 100 T N 3.759 118.406 114.554 0.155 0.000 2.817 100 T HA 0.055 4.405 4.350 -0.000 0.000 0.295 100 T C -0.231 174.591 174.700 0.204 0.000 0.958 100 T CA -0.435 61.782 62.100 0.194 0.000 1.157 100 T CB 0.028 69.039 68.868 0.239 0.000 0.898 100 T HN 0.497 nan 8.240 nan 0.000 0.536 101 W N 6.559 127.835 121.300 -0.040 0.000 2.238 101 W HA 0.220 4.880 4.660 -0.000 0.000 0.321 101 W C -2.046 174.260 176.519 -0.356 0.000 1.293 101 W CA -2.369 54.890 57.345 -0.143 0.000 1.204 101 W CB 1.144 30.525 29.460 -0.131 0.000 1.167 101 W HN 0.501 nan 8.180 nan 0.000 0.553 102 P HA 0.062 nan 4.420 nan 0.000 0.269 102 P C 0.026 176.995 177.300 -0.553 0.000 1.478 102 P CA 0.212 62.492 63.100 -1.366 0.000 1.045 102 P CB -0.112 30.478 31.700 -1.850 0.000 1.512 103 Y N -0.162 120.088 120.300 -0.083 0.000 2.578 103 Y HA 0.195 4.745 4.550 -0.000 0.000 0.297 103 Y C 2.482 178.442 175.900 0.101 0.000 1.176 103 Y CA 0.673 58.791 58.100 0.030 0.000 1.315 103 Y CB -1.102 37.386 38.460 0.047 0.000 1.031 103 Y HN 0.035 nan 8.280 nan 0.000 0.524 104 G N -0.691 108.273 108.800 0.273 0.000 2.421 104 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 104 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 104 G C 0.964 176.115 174.900 0.419 0.000 1.143 104 G CA 0.486 45.845 45.100 0.432 0.000 0.784 104 G HN 0.335 nan 8.290 nan 0.000 0.541 105 S N 0.220 116.115 115.700 0.324 0.000 2.549 105 S HA 0.382 4.852 4.470 -0.000 0.000 0.283 105 S C 1.848 176.452 174.600 0.006 0.000 1.320 105 S CA 0.311 58.620 58.200 0.182 0.000 1.058 105 S CB 1.233 64.612 63.200 0.298 0.000 0.882 105 S HN 0.276 nan 8.310 nan 0.000 0.498 106 G N 3.351 112.080 108.800 -0.117 0.000 2.462 106 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.220 106 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.220 106 G C 1.132 175.891 174.900 -0.235 0.000 1.121 106 G CA 1.032 46.026 45.100 -0.176 0.000 0.758 106 G HN 0.637 nan 8.290 nan 0.000 0.559 107 V N -1.046 118.712 119.914 -0.261 0.000 2.374 107 V HA 0.011 4.131 4.120 -0.000 0.000 0.241 107 V C 2.218 178.033 176.094 -0.465 0.000 1.034 107 V CA 1.153 63.176 62.300 -0.462 0.000 1.037 107 V CB -0.593 30.831 31.823 -0.664 0.000 0.682 107 V HN 0.563 nan 8.190 nan 0.000 0.463 108 W N 0.883 122.106 121.300 -0.128 0.000 2.800 108 W HA -0.029 4.631 4.660 -0.000 0.000 0.249 108 W C 2.603 179.113 176.519 -0.016 0.000 1.294 108 W CA 0.762 58.035 57.345 -0.120 0.000 1.402 108 W CB -0.386 28.940 29.460 -0.224 0.000 1.126 108 W HN 0.326 nan 8.180 nan 0.000 0.652 109 S N 0.362 116.143 115.700 0.135 0.000 2.469 109 S HA -0.114 4.356 4.470 -0.000 0.000 0.238 109 S C 1.108 175.675 174.600 -0.056 0.000 0.998 109 S CA 0.789 59.070 58.200 0.134 0.000 0.957 109 S CB -0.282 62.932 63.200 0.022 0.000 0.764 109 S HN 0.294 nan 8.310 nan 0.000 0.514 110 K N 0.778 121.013 120.400 -0.276 0.000 2.699 110 K HA 0.323 4.643 4.320 -0.000 0.000 0.210 110 K C 1.189 177.675 176.600 -0.189 0.000 1.076 110 K CA -0.275 55.642 56.287 -0.616 0.000 1.109 110 K CB 0.446 32.348 32.500 -0.996 0.000 0.862 110 K HN 0.242 nan 8.250 nan 0.000 0.470 111 K N 1.635 122.110 120.400 0.125 0.000 2.089 111 K HA -0.251 4.069 4.320 -0.000 0.000 0.210 111 K C 0.894 177.645 176.600 0.252 0.000 1.048 111 K CA 1.828 58.296 56.287 0.300 0.000 0.926 111 K CB 0.211 32.987 32.500 0.459 0.000 0.714 111 K HN 0.114 nan 8.250 nan 0.000 0.448 112 E N -0.844 119.502 120.200 0.244 0.000 2.267 112 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 112 E C 0.999 177.728 176.600 0.215 0.000 0.998 112 E CA 1.224 57.761 56.400 0.228 0.000 0.830 112 E CB -0.080 29.700 29.700 0.133 0.000 0.751 112 E HN 0.478 nan 8.360 nan 0.000 0.491 113 W N -1.176 119.962 121.300 -0.270 0.000 3.220 113 W HA 0.285 4.946 4.660 0.000 0.000 0.328 113 W C 1.039 177.225 176.519 -0.555 0.000 1.205 113 W CA -0.300 56.697 57.345 -0.580 0.000 1.773 113 W CB 0.005 29.154 29.460 -0.517 0.000 1.086 113 W HN -0.105 nan 8.180 nan 0.000 0.622 114 V N -0.731 119.198 119.914 0.024 0.000 3.240 114 V HA 0.247 4.367 4.120 -0.000 0.000 0.218 114 V C 0.494 176.736 176.094 0.247 0.000 1.190 114 V CA 0.417 62.753 62.300 0.059 0.000 1.280 114 V CB -0.013 31.672 31.823 -0.229 0.000 1.244 114 V HN -0.310 nan 8.190 nan 0.000 0.512 115 L N 2.591 123.983 121.223 0.282 0.000 2.488 115 L HA 0.345 4.685 4.340 -0.000 0.000 0.250 115 L C -1.855 175.201 176.870 0.310 0.000 1.280 115 L CA -1.090 53.935 54.840 0.308 0.000 0.929 115 L CB 1.963 44.243 42.059 0.369 0.000 1.200 115 L HN 0.232 nan 8.230 nan 0.000 0.495 116 P HA -0.142 nan 4.420 nan 0.000 0.222 116 P C 0.645 178.092 177.300 0.245 0.000 1.147 116 P CA 1.244 64.532 63.100 0.313 0.000 0.790 116 P CB 0.485 32.415 31.700 0.382 0.000 0.780 117 E N -1.010 119.300 120.200 0.183 0.000 2.481 117 E HA 0.158 4.508 4.350 -0.000 0.000 0.198 117 E C 0.819 177.473 176.600 0.090 0.000 1.027 117 E CA -0.508 55.968 56.400 0.126 0.000 0.900 117 E CB 0.209 29.966 29.700 0.096 0.000 0.993 117 E HN 0.267 nan 8.360 nan 0.000 0.482 118 I N 1.873 122.498 120.570 0.092 0.000 2.529 118 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 118 I C 0.290 176.407 176.117 0.000 0.000 1.082 118 I CA -0.112 61.210 61.300 0.036 0.000 1.406 118 I CB 0.641 38.653 38.000 0.020 0.000 1.405 118 I HN -0.086 nan 8.210 nan 0.000 0.548 119 D N 5.290 125.683 120.400 -0.011 0.000 2.341 119 D HA -0.028 4.612 4.640 -0.000 0.000 0.245 119 D C 0.371 176.638 176.300 -0.056 0.000 1.106 119 D CA -0.227 53.765 54.000 -0.013 0.000 0.905 119 D CB 1.230 42.032 40.800 0.005 0.000 1.202 119 D HN 0.520 nan 8.370 nan 0.000 0.426 120 D N 1.921 122.296 120.400 -0.043 0.000 2.263 120 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 120 D C 0.949 177.336 176.300 0.146 0.000 0.971 120 D CA 0.783 54.763 54.000 -0.034 0.000 0.867 120 D CB 0.168 40.971 40.800 0.004 0.000 0.929 120 D HN 0.433 nan 8.370 nan 0.000 0.492 121 D N 0.427 120.871 120.400 0.073 0.000 2.219 121 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 121 D C 1.162 177.482 176.300 0.034 0.000 0.970 121 D CA 0.753 54.784 54.000 0.052 0.000 0.851 121 D CB -0.047 40.761 40.800 0.013 0.000 0.943 121 D HN 0.179 nan 8.370 nan 0.000 0.488 122 D N -0.223 120.178 120.400 0.003 0.000 2.348 122 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 122 D C 0.717 176.994 176.300 -0.040 0.000 0.998 122 D CA -0.070 53.920 54.000 -0.016 0.000 0.873 122 D CB 0.539 41.322 40.800 -0.027 0.000 0.925 122 D HN 0.246 nan 8.370 nan 0.000 0.524 123 I N 1.458 121.972 120.570 -0.093 0.000 2.533 123 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 123 I C -0.057 176.092 176.117 0.053 0.000 1.109 123 I CA -0.056 61.090 61.300 -0.256 0.000 1.412 123 I CB 1.061 38.599 38.000 -0.770 0.000 1.396 123 I HN -0.333 nan 8.210 nan 0.000 0.543 124 V N 6.093 126.054 119.914 0.078 0.000 2.275 124 V HA 0.252 4.372 4.120 -0.000 0.000 0.272 124 V C 0.063 176.389 176.094 0.386 0.000 1.028 124 V CA -0.179 62.264 62.300 0.239 0.000 0.810 124 V CB 0.907 32.868 31.823 0.231 0.000 1.043 124 V HN 0.773 nan 8.190 nan 0.000 0.453 125 S N 3.639 119.597 115.700 0.430 0.000 2.521 125 S HA 0.779 5.249 4.470 -0.000 0.000 0.295 125 S C 0.195 175.026 174.600 0.386 0.000 1.098 125 S CA 0.092 58.578 58.200 0.477 0.000 0.999 125 S CB 1.892 65.259 63.200 0.278 0.000 1.034 125 S HN 0.902 nan 8.310 nan 0.000 0.483 126 A N 3.682 126.704 122.820 0.338 0.000 2.911 126 A HA 0.490 4.810 4.320 -0.000 0.000 0.304 126 A C 0.379 178.201 177.584 0.396 0.000 1.144 126 A CA -0.639 51.509 52.037 0.185 0.000 0.988 126 A CB -1.217 17.630 19.000 -0.256 0.000 1.141 126 A HN 1.504 nan 8.150 nan 0.000 0.552 127 F N 0.528 120.614 119.950 0.228 0.000 3.090 127 F HA -0.255 4.272 4.527 -0.000 0.000 0.282 127 F C 1.010 176.913 175.800 0.172 0.000 0.923 127 F CA 0.337 58.452 58.000 0.191 0.000 0.977 127 F CB -0.500 38.600 39.000 0.166 0.000 0.954 127 F HN 0.687 nan 8.300 nan 0.000 0.695 128 E N 1.595 121.926 120.200 0.219 0.000 2.409 128 E HA 0.492 4.842 4.350 -0.000 0.000 0.257 128 E C 1.039 177.612 176.600 -0.045 0.000 1.150 128 E CA 0.480 56.947 56.400 0.112 0.000 0.942 128 E CB 0.842 30.653 29.700 0.184 0.000 0.979 128 E HN 0.714 nan 8.360 nan 0.000 0.447 129 G N 1.958 110.727 108.800 -0.051 0.000 2.593 129 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.237 129 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.237 129 G C -0.079 174.724 174.900 -0.163 0.000 1.312 129 G CA -0.091 44.945 45.100 -0.106 0.000 0.896 129 G HN 0.811 nan 8.290 nan 0.000 0.574 130 N N -1.150 117.442 118.700 -0.180 0.000 2.721 130 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 130 N C 0.297 175.742 175.510 -0.108 0.000 1.072 130 N CA 1.615 54.556 53.050 -0.183 0.000 0.710 130 N CB -1.230 37.077 38.487 -0.299 0.000 0.993 130 N HN 1.120 nan 8.380 nan 0.000 0.547 131 S N 0.189 115.857 115.700 -0.053 0.000 2.565 131 S HA 0.136 4.606 4.470 -0.000 0.000 0.274 131 S C 0.519 175.143 174.600 0.041 0.000 1.309 131 S CA -0.639 57.575 58.200 0.023 0.000 1.043 131 S CB 0.751 63.993 63.200 0.071 0.000 0.939 131 S HN 0.357 nan 8.310 nan 0.000 0.504 132 N N 3.030 121.777 118.700 0.078 0.000 2.411 132 N HA -0.039 4.701 4.740 -0.000 0.000 0.265 132 N C -0.638 174.966 175.510 0.156 0.000 1.266 132 N CA -0.338 52.765 53.050 0.088 0.000 0.889 132 N CB 0.167 38.691 38.487 0.062 0.000 1.069 132 N HN 0.360 nan 8.380 nan 0.000 0.476 133 L N 6.994 128.295 121.223 0.130 0.000 2.358 133 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 133 L C -0.835 176.288 176.870 0.421 0.000 1.136 133 L CA -0.313 54.658 54.840 0.219 0.000 0.970 133 L CB -0.514 41.523 42.059 -0.036 0.000 1.314 133 L HN 0.408 nan 8.230 nan 0.000 0.427 134 F N 4.055 124.159 119.950 0.257 0.000 2.504 134 F HA 0.170 4.697 4.527 -0.000 0.000 0.369 134 F C -0.284 175.679 175.800 0.270 0.000 1.082 134 F CA -0.282 57.821 58.000 0.170 0.000 1.216 134 F CB 0.361 39.318 39.000 -0.072 0.000 1.108 134 F HN 0.555 nan 8.300 nan 0.000 0.554 135 W N 8.004 128.888 121.300 -0.694 0.000 2.546 135 W HA 0.468 5.128 4.660 -0.000 0.000 0.323 135 W C -0.538 175.452 176.519 -0.881 0.000 1.272 135 W CA -1.710 55.002 57.345 -1.056 0.000 1.404 135 W CB 0.194 28.888 29.460 -1.276 0.000 1.411 135 W HN 0.671 nan 8.180 nan 0.000 0.480 136 A N 5.715 128.282 122.820 -0.422 0.000 3.037 136 A HA 0.066 4.386 4.320 -0.000 0.000 0.272 136 A C 1.487 178.770 177.584 -0.502 0.000 1.723 136 A CA 0.049 52.003 52.037 -0.139 0.000 1.413 136 A CB -0.613 18.537 19.000 0.249 0.000 1.112 136 A HN 0.844 nan 8.150 nan 0.000 0.606 137 E N 1.286 120.869 120.200 -1.029 0.000 2.028 137 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 137 E C 2.005 178.314 176.600 -0.485 0.000 0.988 137 E CA 1.063 56.781 56.400 -1.138 0.000 0.799 137 E CB -0.025 28.669 29.700 -1.675 0.000 0.755 137 E HN 0.727 nan 8.360 nan 0.000 0.447 138 R N -0.808 119.516 120.500 -0.292 0.000 2.115 138 R HA -0.102 4.238 4.340 -0.000 0.000 0.226 138 R C 2.188 178.491 176.300 0.005 0.000 1.100 138 R CA 1.015 57.038 56.100 -0.129 0.000 0.980 138 R CB -0.181 30.088 30.300 -0.051 0.000 0.875 138 R HN 0.210 nan 8.270 nan 0.000 0.445 139 F N -0.062 119.879 119.950 -0.014 0.000 2.128 139 F HA 0.088 4.615 4.527 -0.000 0.000 0.295 139 F C 2.045 177.897 175.800 0.086 0.000 1.100 139 F CA 1.733 59.833 58.000 0.166 0.000 1.260 139 F CB -0.707 38.376 39.000 0.139 0.000 1.009 139 F HN 0.016 nan 8.300 nan 0.000 0.476 140 G N 0.231 109.026 108.800 -0.009 0.000 2.418 140 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 140 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 140 G C 1.745 176.531 174.900 -0.191 0.000 1.158 140 G CA 0.828 45.850 45.100 -0.129 0.000 0.771 140 G HN 0.319 nan 8.290 nan 0.000 0.545 141 K N -0.409 119.874 120.400 -0.195 0.000 2.137 141 K HA 0.034 4.354 4.320 -0.000 0.000 0.202 141 K C 2.477 178.927 176.600 -0.250 0.000 1.052 141 K CA 0.840 57.012 56.287 -0.191 0.000 0.961 141 K CB -0.053 32.340 32.500 -0.178 0.000 0.741 141 K HN 0.323 nan 8.250 nan 0.000 0.452 142 Q N -0.644 118.945 119.800 -0.352 0.000 2.331 142 Q HA -0.001 4.339 4.340 -0.000 0.000 0.203 142 Q C 0.890 176.431 176.000 -0.766 0.000 0.944 142 Q CA 1.047 56.507 55.803 -0.573 0.000 0.892 142 Q CB 0.339 28.632 28.738 -0.740 0.000 0.983 142 Q HN 0.230 nan 8.270 nan 0.000 0.482 143 F N -2.406 117.343 119.950 -0.334 0.000 2.747 143 F HA 0.126 4.653 4.527 -0.000 0.000 0.305 143 F C 0.936 176.468 175.800 -0.446 0.000 1.065 143 F CA -0.253 57.518 58.000 -0.382 0.000 1.230 143 F CB 0.815 39.462 39.000 -0.589 0.000 1.027 143 F HN -0.001 nan 8.300 nan 0.000 0.607 144 L N -0.712 120.319 121.223 -0.320 0.000 2.878 144 L HA 0.456 4.796 4.340 -0.000 0.000 0.253 144 L C 1.552 178.304 176.870 -0.198 0.000 1.135 144 L CA 0.566 55.203 54.840 -0.337 0.000 0.943 144 L CB -0.154 41.645 42.059 -0.434 0.000 1.307 144 L HN 0.208 nan 8.230 nan 0.000 0.545 145 G N 0.478 109.178 108.800 -0.166 0.000 2.160 145 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.251 145 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.251 145 G C 0.318 175.172 174.900 -0.076 0.000 1.008 145 G CA 0.595 45.629 45.100 -0.109 0.000 0.724 145 G HN 0.279 nan 8.290 nan 0.000 0.514 146 M N 0.667 120.217 119.600 -0.083 0.000 2.336 146 M HA 0.343 4.823 4.480 -0.000 0.000 0.342 146 M C 1.354 177.661 176.300 0.011 0.000 1.128 146 M CA -0.678 54.608 55.300 -0.022 0.000 1.016 146 M CB 1.229 33.819 32.600 -0.016 0.000 1.665 146 M HN 0.231 nan 8.290 nan 0.000 0.445 147 N N 0.297 119.046 118.700 0.083 0.000 2.415 147 N HA -0.037 4.703 4.740 -0.000 0.000 0.174 147 N C 0.017 175.729 175.510 0.336 0.000 1.048 147 N CA 0.583 53.735 53.050 0.170 0.000 0.895 147 N CB 0.212 38.795 38.487 0.160 0.000 1.036 147 N HN 0.577 nan 8.380 nan 0.000 0.449 148 D N 0.480 121.049 120.400 0.281 0.000 2.892 148 D HA 0.198 4.838 4.640 -0.000 0.000 0.291 148 D C -0.968 175.583 176.300 0.419 0.000 1.341 148 D CA -0.489 53.746 54.000 0.392 0.000 0.844 148 D CB -0.153 40.857 40.800 0.349 0.000 1.093 148 D HN 0.115 nan 8.370 nan 0.000 0.480 149 L N 0.789 122.157 121.223 0.241 0.000 2.292 149 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 149 L C -1.340 175.618 176.870 0.148 0.000 1.065 149 L CA -0.194 54.801 54.840 0.257 0.000 0.806 149 L CB 0.457 42.620 42.059 0.172 0.000 1.175 149 L HN -0.071 nan 8.230 nan 0.000 0.431 150 W N 4.093 125.611 121.300 0.363 0.000 2.819 150 W HA 0.681 5.341 4.660 0.000 0.000 0.337 150 W C -1.132 175.574 176.519 0.312 0.000 1.077 150 W CA -0.752 56.814 57.345 0.368 0.000 1.226 150 W CB 1.943 31.626 29.460 0.372 0.000 1.419 150 W HN 0.200 nan 8.180 nan 0.000 0.502 151 V N 2.918 123.168 119.914 0.560 0.000 2.378 151 V HA 0.273 4.393 4.120 -0.000 0.000 0.288 151 V C -0.232 176.145 176.094 0.472 0.000 1.016 151 V CA -1.359 61.196 62.300 0.425 0.000 0.840 151 V CB 1.275 33.305 31.823 0.344 0.000 0.994 151 V HN 0.327 nan 8.190 nan 0.000 0.431 152 K N 3.496 124.086 120.400 0.317 0.000 2.310 152 K HA 0.206 4.526 4.320 -0.000 0.000 0.290 152 K C 0.325 177.068 176.600 0.238 0.000 1.077 152 K CA 0.209 56.663 56.287 0.278 0.000 0.922 152 K CB -0.149 32.481 32.500 0.218 0.000 1.057 152 K HN 0.676 nan 8.250 nan 0.000 0.479 153 H N 4.838 123.975 119.070 0.111 0.000 2.799 153 H HA 0.043 4.599 4.556 0.000 0.000 0.225 153 H C 0.470 175.855 175.328 0.096 0.000 1.904 153 H CA -0.428 55.661 56.048 0.068 0.000 1.344 153 H CB 0.055 29.843 29.762 0.044 0.000 1.744 153 H HN 0.716 nan 8.280 nan 0.000 0.542 154 C N 0.463 119.865 119.300 0.170 0.000 2.419 154 C HA -0.103 4.357 4.460 -0.000 0.000 0.283 154 C C 2.788 177.905 174.990 0.211 0.000 1.373 154 C CA 1.074 60.208 59.018 0.193 0.000 1.781 154 C CB -1.108 26.769 27.740 0.229 0.000 1.886 154 C HN 0.863 nan 8.230 nan 0.000 0.520 155 G N 0.447 109.358 108.800 0.185 0.000 2.470 155 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 155 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.220 155 G C 0.704 175.786 174.900 0.303 0.000 1.121 155 G CA 0.148 45.387 45.100 0.232 0.000 0.766 155 G HN 0.618 nan 8.290 nan 0.000 0.553 156 I N 1.818 122.560 120.570 0.285 0.000 2.270 156 I HA 0.278 4.448 4.170 -0.000 0.000 0.300 156 I C 0.318 176.554 176.117 0.199 0.000 1.186 156 I CA -0.026 61.445 61.300 0.285 0.000 1.431 156 I CB 0.085 38.237 38.000 0.253 0.000 1.485 156 I HN -0.007 nan 8.210 nan 0.000 0.650 157 S N 1.775 117.589 115.700 0.191 0.000 2.705 157 S HA 0.264 4.734 4.470 -0.000 0.000 0.280 157 S C 0.810 175.517 174.600 0.177 0.000 1.174 157 S CA -0.540 57.769 58.200 0.183 0.000 0.823 157 S CB 1.111 64.429 63.200 0.196 0.000 1.162 157 S HN 0.657 nan 8.310 nan 0.000 0.487 158 H N 0.742 119.884 119.070 0.119 0.000 2.319 158 H HA -0.081 4.475 4.556 0.000 0.000 0.297 158 H C 1.834 177.199 175.328 0.063 0.000 1.097 158 H CA 3.055 59.151 56.048 0.079 0.000 1.285 158 H CB 0.127 29.918 29.762 0.048 0.000 1.368 158 H HN 0.544 nan 8.280 nan 0.000 0.495 159 T N -4.237 110.466 114.554 0.248 0.000 3.054 159 T HA 0.294 4.644 4.350 -0.000 0.000 0.255 159 T C 1.457 176.221 174.700 0.107 0.000 1.035 159 T CA 0.400 62.596 62.100 0.160 0.000 0.941 159 T CB 0.512 69.494 68.868 0.190 0.000 1.026 159 T HN 0.592 nan 8.240 nan 0.000 0.533 160 G N 1.091 109.970 108.800 0.132 0.000 2.141 160 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.231 160 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.231 160 G C 0.114 175.133 174.900 0.199 0.000 0.984 160 G CA 0.255 45.448 45.100 0.155 0.000 0.660 160 G HN 1.522 nan 8.290 nan 0.000 0.525 161 S N -0.776 115.025 115.700 0.168 0.000 2.651 161 S HA 0.837 5.307 4.470 -0.000 0.000 0.279 161 S C 0.147 174.837 174.600 0.149 0.000 1.148 161 S CA -0.382 57.920 58.200 0.170 0.000 0.837 161 S CB 1.786 65.040 63.200 0.089 0.000 1.138 161 S HN 1.624 nan 8.310 nan 0.000 0.478 165 L N 1.218 122.402 121.223 -0.065 0.000 2.042 165 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 165 L C 2.432 179.189 176.870 -0.189 0.000 1.076 165 L CA 2.153 56.923 54.840 -0.116 0.000 0.749 165 L CB -0.610 41.413 42.059 -0.060 0.000 0.893 165 L HN 0.148 nan 8.230 nan 0.000 0.432 166 G N -0.766 107.944 108.800 -0.150 0.000 2.394 166 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 166 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 166 G C 1.589 176.380 174.900 -0.182 0.000 1.165 166 G CA 0.219 45.237 45.100 -0.136 0.000 0.784 166 G HN 0.072 nan 8.290 nan 0.000 0.535 167 M N 0.813 120.248 119.600 -0.275 0.000 2.296 167 M HA 0.010 4.490 4.480 -0.000 0.000 0.265 167 M C 2.583 178.575 176.300 -0.514 0.000 1.064 167 M CA 1.093 56.182 55.300 -0.352 0.000 1.109 167 M CB -1.209 31.172 32.600 -0.364 0.000 1.396 167 M HN 0.270 nan 8.290 nan 0.000 0.430 168 T N 0.425 114.596 114.554 -0.639 0.000 2.867 168 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 168 T C 1.814 176.592 174.700 0.129 0.000 1.057 168 T CA 1.069 62.990 62.100 -0.299 0.000 1.136 168 T CB 0.071 68.946 68.868 0.012 0.000 0.874 168 T HN 0.149 nan 8.240 nan 0.000 0.466 169 V N 1.378 121.289 119.914 -0.005 0.000 2.346 169 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 169 V C 2.458 178.606 176.094 0.091 0.000 1.037 169 V CA 1.404 63.756 62.300 0.087 0.000 1.029 169 V CB -0.678 31.074 31.823 -0.117 0.000 0.663 169 V HN 0.396 nan 8.190 nan 0.000 0.454 170 L N 0.297 121.522 121.223 0.004 0.000 1.994 170 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 170 L C 2.362 179.201 176.870 -0.052 0.000 1.071 170 L CA 2.008 56.840 54.840 -0.013 0.000 0.745 170 L CB -0.618 41.443 42.059 0.003 0.000 0.892 170 L HN 0.125 nan 8.230 nan 0.000 0.431 171 V N -0.899 118.998 119.914 -0.028 0.000 2.427 171 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 171 V C 2.603 178.713 176.094 0.027 0.000 1.051 171 V CA 1.697 63.997 62.300 0.000 0.000 1.048 171 V CB -0.672 31.192 31.823 0.068 0.000 0.666 171 V HN 0.498 nan 8.190 nan 0.000 0.456 172 S N -0.492 115.256 115.700 0.080 0.000 2.370 172 S HA -0.320 4.150 4.470 -0.000 0.000 0.226 172 S C 2.024 176.642 174.600 0.030 0.000 1.033 172 S CA 2.064 60.307 58.200 0.071 0.000 1.011 172 S CB -0.299 62.981 63.200 0.133 0.000 0.852 172 S HN 0.631 nan 8.310 nan 0.000 0.457 173 Q N 0.985 120.803 119.800 0.030 0.000 2.083 173 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 173 Q C 2.005 177.965 176.000 -0.068 0.000 0.969 173 Q CA 1.354 57.153 55.803 -0.006 0.000 0.838 173 Q CB -0.450 28.289 28.738 0.002 0.000 0.900 173 Q HN 0.338 nan 8.270 nan 0.000 0.436 174 V N 1.418 121.245 119.914 -0.144 0.000 2.332 174 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 174 V C 2.176 178.230 176.094 -0.067 0.000 1.055 174 V CA 1.942 64.137 62.300 -0.176 0.000 1.038 174 V CB -0.945 30.730 31.823 -0.247 0.000 0.651 174 V HN 0.491 nan 8.190 nan 0.000 0.450 175 N N 0.510 119.190 118.700 -0.033 0.000 2.061 175 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 175 N C 2.024 177.529 175.510 -0.007 0.000 1.030 175 N CA 2.022 55.068 53.050 -0.007 0.000 0.856 175 N CB -0.350 38.142 38.487 0.009 0.000 1.023 175 N HN 0.449 nan 8.380 nan 0.000 0.424 176 R N 0.271 120.765 120.500 -0.009 0.000 2.073 176 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 176 R C 2.162 178.463 176.300 0.002 0.000 1.134 176 R CA 1.261 57.360 56.100 -0.002 0.000 0.952 176 R CB -0.416 29.885 30.300 0.002 0.000 0.850 176 R HN 0.288 nan 8.270 nan 0.000 0.433 177 L N 0.362 121.584 121.223 -0.003 0.000 2.042 177 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 177 L C 2.845 179.722 176.870 0.011 0.000 1.076 177 L CA 1.597 56.442 54.840 0.008 0.000 0.749 177 L CB -0.566 41.498 42.059 0.009 0.000 0.893 177 L HN 0.259 nan 8.230 nan 0.000 0.432 178 R N 0.487 120.990 120.500 0.005 0.000 2.083 178 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 178 R C 2.293 178.598 176.300 0.008 0.000 1.137 178 R CA 1.498 57.604 56.100 0.009 0.000 0.951 178 R CB -0.311 29.993 30.300 0.006 0.000 0.851 178 R HN 0.365 nan 8.270 nan 0.000 0.434 179 K N 0.114 120.517 120.400 0.006 0.000 2.283 179 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 179 K C 1.662 178.267 176.600 0.008 0.000 1.048 179 K CA 0.957 57.247 56.287 0.005 0.000 0.948 179 K CB 0.052 32.553 32.500 0.003 0.000 0.742 179 K HN 0.191 nan 8.250 nan 0.000 0.458 180 M N 0.524 120.130 119.600 0.011 0.000 2.568 180 M HA 0.039 4.519 4.480 -0.000 0.000 0.226 180 M C -0.363 175.946 176.300 0.015 0.000 1.148 180 M CA 0.544 55.853 55.300 0.014 0.000 1.007 180 M CB 0.116 32.727 32.600 0.018 0.000 1.651 180 M HN -0.013 nan 8.290 nan 0.000 0.488 181 K N 0.408 120.817 120.400 0.014 0.000 3.160 181 K HA -0.145 4.175 4.320 -0.000 0.000 0.280 181 K C -0.567 176.044 176.600 0.019 0.000 1.154 181 K CA 0.497 56.792 56.287 0.014 0.000 0.822 181 K CB -1.053 31.454 32.500 0.012 0.000 1.239 181 K HN 0.338 nan 8.250 nan 0.000 0.489 182 R N 0.637 121.150 120.500 0.023 0.000 2.531 182 R HA 0.156 4.496 4.340 -0.000 0.000 0.273 182 R C -2.097 174.224 176.300 0.034 0.000 1.070 182 R CA -1.839 54.279 56.100 0.030 0.000 1.112 182 R CB -0.211 30.110 30.300 0.037 0.000 1.049 182 R HN -0.010 nan 8.270 nan 0.000 0.508 183 P HA 0.102 nan 4.420 nan 0.000 0.244 183 P C -0.788 176.547 177.300 0.059 0.000 1.769 183 P CA 0.022 63.146 63.100 0.040 0.000 1.102 183 P CB 0.137 31.858 31.700 0.036 0.000 1.937 184 V N 3.307 123.256 119.914 0.058 0.000 2.385 184 V HA 0.052 4.172 4.120 -0.000 0.000 0.277 184 V C 1.346 177.472 176.094 0.053 0.000 1.012 184 V CA -0.498 61.848 62.300 0.078 0.000 0.832 184 V CB 1.732 33.609 31.823 0.091 0.000 1.028 184 V HN 0.221 nan 8.190 nan 0.000 0.436 185 V N 1.038 120.981 119.914 0.049 0.000 3.623 185 V HA 0.772 4.892 4.120 -0.000 0.000 0.271 185 V C 0.789 176.902 176.094 0.032 0.000 1.248 185 V CA 0.979 63.297 62.300 0.029 0.000 1.156 185 V CB -0.192 31.641 31.823 0.016 0.000 0.870 185 V HN 1.023 nan 8.190 nan 0.000 0.453 186 G N -0.960 107.872 108.800 0.053 0.000 2.316 186 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 186 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 186 G C -1.629 173.326 174.900 0.092 0.000 1.399 186 G CA -0.050 45.086 45.100 0.060 0.000 0.833 186 G HN 0.445 nan 8.290 nan 0.000 0.565 187 V N 0.038 120.008 119.914 0.092 0.000 2.495 187 V HA 0.862 4.982 4.120 -0.000 0.000 0.298 187 V C 0.816 176.951 176.094 0.067 0.000 1.031 187 V CA 0.123 62.496 62.300 0.122 0.000 0.871 187 V CB 1.388 33.287 31.823 0.127 0.000 0.988 187 V HN 1.421 nan 8.190 nan 0.000 0.432 188 G N 1.736 110.548 108.800 0.019 0.000 2.448 188 G HA2 0.731 4.691 3.960 -0.000 0.000 0.324 188 G HA3 0.731 4.691 3.960 -0.000 0.000 0.324 188 G C -0.689 174.140 174.900 -0.119 0.000 1.203 188 G CA -0.295 44.748 45.100 -0.094 0.000 0.954 188 G HN 1.313 nan 8.290 nan 0.000 0.480 189 C N -0.835 118.376 119.300 -0.148 0.000 3.321 189 C HA 0.916 5.376 4.460 -0.000 0.000 0.329 189 C C -0.469 174.466 174.990 -0.092 0.000 1.394 189 C CA -0.344 58.607 59.018 -0.111 0.000 1.291 189 C CB 1.229 28.960 27.740 -0.016 0.000 1.606 189 C HN 1.767 nan 8.230 nan 0.000 0.463 190 A N 1.766 124.564 122.820 -0.037 0.000 2.745 190 A HA 0.807 5.127 4.320 -0.000 0.000 0.301 190 A C -0.524 177.171 177.584 0.184 0.000 1.188 190 A CA 0.295 52.360 52.037 0.047 0.000 0.746 190 A CB 0.504 19.482 19.000 -0.037 0.000 1.207 190 A HN 1.809 nan 8.150 nan 0.000 0.432 191 S N 0.433 116.290 115.700 0.263 0.000 2.556 191 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 191 S C -0.149 174.583 174.600 0.220 0.000 1.135 191 S CA -0.242 58.172 58.200 0.357 0.000 0.858 191 S CB 1.285 64.609 63.200 0.206 0.000 1.114 191 S HN 0.634 nan 8.310 nan 0.000 0.468 192 T N 3.587 118.213 114.554 0.120 0.000 3.416 192 T HA 0.414 4.764 4.350 -0.000 0.000 0.247 192 T C 1.523 176.256 174.700 0.054 0.000 0.973 192 T CA 0.536 62.666 62.100 0.050 0.000 1.166 192 T CB -0.783 68.051 68.868 -0.056 0.000 1.040 192 T HN 1.291 nan 8.240 nan 0.000 0.746 193 G N 4.023 112.859 108.800 0.060 0.000 4.825 193 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.224 193 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.224 193 G C 1.066 175.985 174.900 0.032 0.000 1.356 193 G CA 0.464 45.585 45.100 0.035 0.000 0.966 193 G HN 0.569 nan 8.290 nan 0.000 0.690 194 D N 0.435 120.855 120.400 0.034 0.000 2.133 194 D HA -0.089 4.551 4.640 -0.000 0.000 0.192 194 D C 2.583 178.875 176.300 -0.013 0.000 1.001 194 D CA 2.172 56.182 54.000 0.017 0.000 0.844 194 D CB -0.593 40.224 40.800 0.028 0.000 0.944 194 D HN 0.519 nan 8.370 nan 0.000 0.447 195 T N 0.196 114.749 114.554 -0.002 0.000 2.770 195 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 195 T C 2.209 176.927 174.700 0.029 0.000 1.039 195 T CA 1.689 63.786 62.100 -0.005 0.000 1.142 195 T CB -0.171 68.709 68.868 0.020 0.000 0.868 195 T HN 0.217 nan 8.240 nan 0.000 0.435 196 S N 2.127 117.858 115.700 0.052 0.000 2.383 196 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 196 S C 2.452 177.096 174.600 0.073 0.000 1.026 196 S CA 0.838 59.078 58.200 0.066 0.000 0.981 196 S CB -0.683 62.562 63.200 0.076 0.000 0.818 196 S HN 0.476 nan 8.310 nan 0.000 0.472 197 A N 2.574 125.432 122.820 0.064 0.000 1.865 197 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 197 A C 2.580 180.234 177.584 0.118 0.000 1.191 197 A CA 2.066 54.149 52.037 0.077 0.000 0.623 197 A CB -1.620 17.414 19.000 0.057 0.000 0.826 197 A HN 0.844 nan 8.150 nan 0.000 0.444 198 A N -0.459 122.429 122.820 0.114 0.000 1.851 198 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 198 A C 2.187 179.905 177.584 0.224 0.000 1.195 198 A CA 1.879 54.023 52.037 0.179 0.000 0.622 198 A CB -0.857 18.185 19.000 0.070 0.000 0.831 198 A HN 0.816 nan 8.150 nan 0.000 0.444 199 L N 0.206 121.502 121.223 0.123 0.000 1.971 199 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 199 L C 2.551 179.511 176.870 0.150 0.000 1.072 199 L CA 2.873 57.784 54.840 0.118 0.000 0.758 199 L CB -0.798 41.309 42.059 0.080 0.000 0.889 199 L HN 0.318 nan 8.230 nan 0.000 0.433 200 S N -0.129 115.645 115.700 0.125 0.000 2.370 200 S HA -0.186 4.284 4.470 -0.000 0.000 0.226 200 S C 2.086 176.750 174.600 0.107 0.000 1.033 200 S CA 1.169 59.435 58.200 0.110 0.000 1.011 200 S CB -0.780 62.477 63.200 0.095 0.000 0.852 200 S HN 0.706 nan 8.310 nan 0.000 0.457 201 A N 0.595 123.485 122.820 0.117 0.000 1.883 201 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 201 A C 1.940 179.494 177.584 -0.050 0.000 1.186 201 A CA 1.584 53.648 52.037 0.045 0.000 0.624 201 A CB -1.004 18.030 19.000 0.057 0.000 0.822 201 A HN 0.547 nan 8.150 nan 0.000 0.444 202 Y N -0.674 119.616 120.300 -0.017 0.000 2.200 202 Y HA -0.220 4.330 4.550 0.000 0.000 0.290 202 Y C 2.905 178.808 175.900 0.006 0.000 1.137 202 Y CA 1.168 59.257 58.100 -0.020 0.000 1.163 202 Y CB -0.813 37.648 38.460 0.002 0.000 0.988 202 Y HN 0.386 nan 8.280 nan 0.000 0.518 203 C N -0.525 118.876 119.300 0.168 0.000 2.413 203 C HA -0.221 4.239 4.460 -0.000 0.000 0.276 203 C C 3.016 178.045 174.990 0.065 0.000 1.248 203 C CA 1.100 60.179 59.018 0.102 0.000 1.742 203 C CB -1.503 26.293 27.740 0.094 0.000 2.017 203 C HN 0.636 nan 8.230 nan 0.000 0.481 204 A N 1.344 124.196 122.820 0.054 0.000 1.902 204 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 204 A C 2.302 179.894 177.584 0.013 0.000 1.181 204 A CA 2.495 54.553 52.037 0.035 0.000 0.623 204 A CB -0.961 18.061 19.000 0.037 0.000 0.818 204 A HN 0.726 nan 8.150 nan 0.000 0.443 205 S N -0.070 115.623 115.700 -0.011 0.000 2.399 205 S HA 0.085 4.555 4.470 -0.000 0.000 0.231 205 S C 1.769 176.363 174.600 -0.010 0.000 1.022 205 S CA 1.232 59.414 58.200 -0.029 0.000 0.983 205 S CB -0.472 62.677 63.200 -0.085 0.000 0.803 205 S HN 0.969 nan 8.310 nan 0.000 0.480 206 A N 0.578 123.407 122.820 0.014 0.000 2.275 206 A HA 0.596 4.916 4.320 -0.000 0.000 0.212 206 A C 1.625 179.217 177.584 0.014 0.000 1.201 206 A CA 0.390 52.438 52.037 0.019 0.000 0.843 206 A CB -1.029 17.997 19.000 0.043 0.000 0.873 206 A HN 1.536 nan 8.150 nan 0.000 0.492 207 G N -0.313 108.496 108.800 0.014 0.000 2.198 207 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 207 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 207 G C -0.040 174.871 174.900 0.019 0.000 1.042 207 G CA 0.435 45.543 45.100 0.013 0.000 0.791 207 G HN 0.505 nan 8.290 nan 0.000 0.502 208 I N 1.037 121.625 120.570 0.029 0.000 2.321 208 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 208 I C -1.905 174.238 176.117 0.043 0.000 0.998 208 I CA -2.528 58.792 61.300 0.033 0.000 1.227 208 I CB 1.619 39.642 38.000 0.037 0.000 1.368 208 I HN -0.139 nan 8.210 nan 0.000 0.466 209 P HA 0.014 nan 4.420 nan 0.000 0.268 209 P C -0.683 176.660 177.300 0.071 0.000 1.204 209 P CA -0.040 63.088 63.100 0.047 0.000 0.768 209 P CB 0.709 32.420 31.700 0.019 0.000 0.842 210 S N 3.072 118.832 115.700 0.099 0.000 2.519 210 S HA 0.631 5.101 4.470 -0.000 0.000 0.309 210 S C -0.864 173.830 174.600 0.158 0.000 1.100 210 S CA -0.726 57.541 58.200 0.111 0.000 1.059 210 S CB 0.022 63.285 63.200 0.105 0.000 1.008 210 S HN 0.206 nan 8.310 nan 0.000 0.478 211 I N 4.731 125.385 120.570 0.142 0.000 2.389 211 I HA 0.461 4.631 4.170 -0.000 0.000 0.288 211 I C -0.991 175.204 176.117 0.130 0.000 0.999 211 I CA -0.806 60.615 61.300 0.202 0.000 1.129 211 I CB 2.019 40.141 38.000 0.203 0.000 1.288 211 I HN 0.347 nan 8.210 nan 0.000 0.444 212 V N 6.698 126.734 119.914 0.204 0.000 2.444 212 V HA 0.417 4.537 4.120 -0.000 0.000 0.294 212 V C -0.408 175.914 176.094 0.380 0.000 1.022 212 V CA -0.556 61.858 62.300 0.190 0.000 0.850 212 V CB 1.526 33.426 31.823 0.128 0.000 0.992 212 V HN 0.450 nan 8.190 nan 0.000 0.426 213 F N 5.553 125.508 119.950 0.009 0.000 2.404 213 F HA 0.662 5.189 4.527 -0.000 0.000 0.354 213 F C -0.066 175.737 175.800 0.006 0.000 1.122 213 F CA -0.711 57.282 58.000 -0.011 0.000 1.080 213 F CB 1.252 40.235 39.000 -0.029 0.000 1.131 213 F HN 0.223 nan 8.300 nan 0.000 0.471 214 L N 5.574 126.876 121.223 0.132 0.000 2.422 214 L HA 0.457 4.797 4.340 -0.000 0.000 0.264 214 L C -2.450 174.448 176.870 0.047 0.000 0.984 214 L CA -2.367 52.537 54.840 0.107 0.000 0.819 214 L CB 2.831 44.947 42.059 0.094 0.000 1.330 214 L HN 0.305 nan 8.230 nan 0.000 0.410 215 P HA 0.028 nan 4.420 nan 0.000 0.269 215 P C -0.003 177.308 177.300 0.019 0.000 1.209 215 P CA -0.046 63.079 63.100 0.042 0.000 0.776 215 P CB 1.285 33.035 31.700 0.084 0.000 0.876 216 A N 4.227 127.045 122.820 -0.003 0.000 1.825 216 A HA -0.212 4.108 4.320 -0.000 0.000 0.214 216 A C 1.868 179.451 177.584 -0.001 0.000 1.206 216 A CA 2.095 54.124 52.037 -0.013 0.000 0.609 216 A CB -1.564 17.421 19.000 -0.024 0.000 0.851 216 A HN 0.539 nan 8.150 nan 0.000 0.445 217 N N -0.676 118.026 118.700 0.002 0.000 2.300 217 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 217 N C 1.518 177.035 175.510 0.012 0.000 1.016 217 N CA 1.110 54.163 53.050 0.005 0.000 0.876 217 N CB -0.157 38.332 38.487 0.003 0.000 0.979 217 N HN 0.250 nan 8.380 nan 0.000 0.432 218 K N 0.596 121.008 120.400 0.021 0.000 2.152 218 K HA 0.033 4.353 4.320 -0.000 0.000 0.206 218 K C 0.181 176.797 176.600 0.026 0.000 1.048 218 K CA 0.819 57.123 56.287 0.027 0.000 0.933 218 K CB -0.200 32.328 32.500 0.047 0.000 0.721 218 K HN 0.409 nan 8.250 nan 0.000 0.447 219 I N -3.398 117.189 120.570 0.028 0.000 2.512 219 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 219 I C 0.338 176.464 176.117 0.016 0.000 1.069 219 I CA -0.510 60.804 61.300 0.024 0.000 1.056 219 I CB 2.503 40.522 38.000 0.031 0.000 1.229 219 I HN -0.250 nan 8.210 nan 0.000 0.429 220 S N 4.483 120.190 115.700 0.011 0.000 2.412 220 S HA 0.185 4.655 4.470 -0.000 0.000 0.199 220 S C 1.111 175.713 174.600 0.003 0.000 1.099 220 S CA 0.998 59.201 58.200 0.005 0.000 1.243 220 S CB -0.068 63.135 63.200 0.006 0.000 0.996 220 S HN 0.832 nan 8.310 nan 0.000 0.402 221 M N -1.004 118.598 119.600 0.003 0.000 2.151 221 M HA 0.288 4.768 4.480 -0.000 0.000 0.382 221 M C 1.497 177.797 176.300 -0.000 0.000 0.861 221 M CA 0.081 55.381 55.300 0.000 0.000 1.088 221 M CB 0.431 33.030 32.600 -0.002 0.000 2.060 221 M HN 0.371 nan 8.290 nan 0.000 0.695 222 A N 0.752 123.572 122.820 0.001 0.000 1.855 222 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 222 A C 1.772 179.347 177.584 -0.015 0.000 1.191 222 A CA 1.540 53.575 52.037 -0.004 0.000 0.613 222 A CB -0.340 18.662 19.000 0.002 0.000 0.829 222 A HN 0.558 nan 8.150 nan 0.000 0.442 223 Q N -0.709 119.082 119.800 -0.015 0.000 2.392 223 Q HA 0.218 4.558 4.340 -0.000 0.000 0.203 223 Q C 1.076 177.064 176.000 -0.020 0.000 0.917 223 Q CA 0.372 56.154 55.803 -0.035 0.000 0.939 223 Q CB 0.066 28.784 28.738 -0.034 0.000 1.063 223 Q HN 0.806 nan 8.270 nan 0.000 0.516 224 L N -3.688 117.534 121.223 -0.002 0.000 2.872 224 L HA 0.321 4.661 4.340 -0.000 0.000 0.245 224 L C 1.455 178.330 176.870 0.008 0.000 1.211 224 L CA -0.197 54.650 54.840 0.011 0.000 1.013 224 L CB -0.006 42.066 42.059 0.021 0.000 1.326 224 L HN -0.120 nan 8.230 nan 0.000 0.525 225 V N 0.464 120.377 119.914 -0.001 0.000 2.343 225 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 225 V C 2.447 178.546 176.094 0.008 0.000 1.051 225 V CA 2.113 64.413 62.300 -0.000 0.000 1.036 225 V CB 0.011 31.828 31.823 -0.009 0.000 0.654 225 V HN 0.755 nan 8.190 nan 0.000 0.451 226 Q N -0.182 119.623 119.800 0.009 0.000 1.993 226 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 226 Q C 0.148 176.172 176.000 0.040 0.000 0.984 226 Q CA 2.382 58.199 55.803 0.023 0.000 0.837 226 Q CB -1.267 27.487 28.738 0.027 0.000 0.902 226 Q HN 0.548 nan 8.270 nan 0.000 0.423 227 P HA -0.174 nan 4.420 nan 0.000 0.215 227 P C 1.067 178.398 177.300 0.052 0.000 1.153 227 P CA 1.216 64.351 63.100 0.058 0.000 0.853 227 P CB -0.075 31.662 31.700 0.061 0.000 0.788 228 I N -0.396 120.196 120.570 0.037 0.000 2.118 228 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 228 I C 2.332 178.469 176.117 0.033 0.000 1.070 228 I CA 1.885 63.203 61.300 0.030 0.000 1.327 228 I CB -0.871 37.138 38.000 0.015 0.000 1.034 228 I HN -0.075 nan 8.210 nan 0.000 0.405 229 A N 0.388 123.225 122.820 0.029 0.000 1.972 229 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 229 A C 1.763 179.369 177.584 0.036 0.000 1.169 229 A CA 1.756 53.809 52.037 0.027 0.000 0.635 229 A CB -0.976 18.035 19.000 0.018 0.000 0.810 229 A HN 0.564 nan 8.150 nan 0.000 0.446 230 N N -0.492 118.235 118.700 0.046 0.000 2.421 230 N HA 0.294 5.034 4.740 -0.000 0.000 0.201 230 N C 0.774 176.320 175.510 0.060 0.000 1.198 230 N CA 0.301 53.384 53.050 0.054 0.000 0.838 230 N CB 0.056 38.582 38.487 0.065 0.000 1.011 230 N HN 0.582 nan 8.380 nan 0.000 0.463 231 G N 0.463 109.300 108.800 0.061 0.000 2.198 231 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 231 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 231 G C 0.200 175.162 174.900 0.103 0.000 1.025 231 G CA 0.184 45.329 45.100 0.075 0.000 0.769 231 G HN 0.514 nan 8.290 nan 0.000 0.507 232 A N -0.543 122.341 122.820 0.106 0.000 2.351 232 A HA 0.644 4.964 4.320 -0.000 0.000 0.257 232 A C 0.040 177.742 177.584 0.196 0.000 1.087 232 A CA -0.316 51.806 52.037 0.141 0.000 0.798 232 A CB 0.448 19.516 19.000 0.114 0.000 1.033 232 A HN 1.203 nan 8.150 nan 0.000 0.488 233 F N 3.208 123.197 119.950 0.066 0.000 2.405 233 F HA 0.433 4.960 4.527 -0.000 0.000 0.358 233 F C -0.152 175.708 175.800 0.100 0.000 1.151 233 F CA -0.352 57.692 58.000 0.074 0.000 1.161 233 F CB 0.349 39.396 39.000 0.078 0.000 1.245 233 F HN 0.228 nan 8.300 nan 0.000 0.545 234 V N 7.211 126.988 119.914 -0.229 0.000 2.394 234 V HA 0.339 4.459 4.120 -0.000 0.000 0.282 234 V C -0.337 175.572 176.094 -0.308 0.000 1.031 234 V CA -0.780 61.426 62.300 -0.157 0.000 0.881 234 V CB 1.341 33.124 31.823 -0.067 0.000 0.982 234 V HN 0.399 nan 8.190 nan 0.000 0.451 235 L N 3.810 124.915 121.223 -0.196 0.000 2.322 235 L HA 0.504 4.844 4.340 -0.000 0.000 0.281 235 L C 0.333 177.088 176.870 -0.192 0.000 1.014 235 L CA 0.314 54.991 54.840 -0.273 0.000 0.815 235 L CB 1.976 43.788 42.059 -0.411 0.000 1.247 235 L HN 0.676 nan 8.230 nan 0.000 0.421 236 S N 4.898 120.494 115.700 -0.173 0.000 2.434 236 S HA 0.579 5.049 4.470 -0.000 0.000 0.318 236 S C -0.292 174.230 174.600 -0.131 0.000 1.062 236 S CA -0.687 57.443 58.200 -0.116 0.000 1.116 236 S CB -0.245 62.905 63.200 -0.084 0.000 0.977 236 S HN 0.342 nan 8.310 nan 0.000 0.480 237 I N 3.496 123.988 120.570 -0.130 0.000 2.428 237 I HA 0.305 4.475 4.170 -0.000 0.000 0.296 237 I C 0.257 176.327 176.117 -0.077 0.000 0.985 237 I CA -0.680 60.538 61.300 -0.138 0.000 1.260 237 I CB 1.297 39.188 38.000 -0.181 0.000 1.389 237 I HN 0.509 nan 8.210 nan 0.000 0.484 238 D N 4.628 124.986 120.400 -0.070 0.000 2.885 238 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 238 D C -0.147 176.133 176.300 -0.032 0.000 1.129 238 D CA 0.469 54.443 54.000 -0.044 0.000 0.991 238 D CB 0.154 40.930 40.800 -0.041 0.000 1.137 238 D HN 0.599 nan 8.370 nan 0.000 0.459 239 T N -1.824 112.716 114.554 -0.024 0.000 2.711 239 T HA 0.308 4.658 4.350 -0.000 0.000 0.302 239 T C -0.439 174.270 174.700 0.014 0.000 1.373 239 T CA -1.203 60.891 62.100 -0.010 0.000 1.000 239 T CB 1.266 70.122 68.868 -0.020 0.000 1.483 239 T HN 0.002 nan 8.240 nan 0.000 0.499 240 D N -0.011 120.406 120.400 0.029 0.000 2.398 240 D HA 0.218 4.858 4.640 -0.000 0.000 0.264 240 D C 1.020 177.384 176.300 0.106 0.000 1.263 240 D CA -1.002 53.041 54.000 0.073 0.000 1.037 240 D CB 0.060 40.906 40.800 0.077 0.000 1.101 240 D HN 0.358 nan 8.370 nan 0.000 0.551 241 F N -0.088 119.872 119.950 0.018 0.000 2.171 241 F HA -0.156 4.371 4.527 0.000 0.000 0.300 241 F C 1.720 177.538 175.800 0.030 0.000 1.090 241 F CA 1.648 59.664 58.000 0.028 0.000 1.293 241 F CB -0.204 38.813 39.000 0.028 0.000 1.013 241 F HN 0.232 nan 8.300 nan 0.000 0.486 242 D N -0.037 120.340 120.400 -0.039 0.000 2.117 242 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 242 D C 2.470 178.685 176.300 -0.141 0.000 0.987 242 D CA 1.488 55.413 54.000 -0.124 0.000 0.829 242 D CB -0.786 40.019 40.800 0.008 0.000 0.961 242 D HN 0.367 nan 8.370 nan 0.000 0.460 243 G N -0.585 108.170 108.800 -0.076 0.000 2.443 243 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 243 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 243 G C 1.909 176.776 174.900 -0.056 0.000 1.131 243 G CA 0.879 45.946 45.100 -0.054 0.000 0.775 243 G HN 0.358 nan 8.290 nan 0.000 0.547 244 C N 0.193 119.442 119.300 -0.085 0.000 2.467 244 C HA 0.176 4.636 4.460 -0.000 0.000 0.279 244 C C 2.870 177.832 174.990 -0.047 0.000 1.347 244 C CA 0.314 59.325 59.018 -0.011 0.000 1.748 244 C CB -0.438 27.305 27.740 0.005 0.000 1.977 244 C HN 0.352 nan 8.230 nan 0.000 0.501 245 M N 1.070 120.506 119.600 -0.272 0.000 2.159 245 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 245 M C 2.126 178.336 176.300 -0.149 0.000 1.063 245 M CA 1.591 56.718 55.300 -0.287 0.000 1.110 245 M CB -1.010 31.325 32.600 -0.441 0.000 1.374 245 M HN 0.437 nan 8.290 nan 0.000 0.411 246 K N -0.182 120.155 120.400 -0.105 0.000 2.097 246 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 246 K C 2.040 178.633 176.600 -0.012 0.000 1.050 246 K CA 0.945 57.197 56.287 -0.058 0.000 0.938 246 K CB -0.134 32.340 32.500 -0.044 0.000 0.718 246 K HN 0.287 nan 8.250 nan 0.000 0.442 247 L N 0.445 121.698 121.223 0.050 0.000 2.156 247 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 247 L C 2.305 179.303 176.870 0.214 0.000 1.095 247 L CA 0.342 55.276 54.840 0.156 0.000 0.770 247 L CB -0.137 42.037 42.059 0.192 0.000 0.914 247 L HN 0.099 nan 8.230 nan 0.000 0.439 248 I N -0.230 120.389 120.570 0.081 0.000 2.493 248 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 248 I C 2.554 178.549 176.117 -0.202 0.000 1.160 248 I CA 1.313 62.441 61.300 -0.287 0.000 1.445 248 I CB -0.211 37.505 38.000 -0.474 0.000 1.086 248 I HN 0.092 nan 8.210 nan 0.000 0.433 249 R N 0.165 120.587 120.500 -0.131 0.000 2.062 249 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 249 R C 2.169 178.423 176.300 -0.078 0.000 1.136 249 R CA 1.714 57.738 56.100 -0.127 0.000 0.948 249 R CB -0.449 29.786 30.300 -0.109 0.000 0.845 249 R HN 0.420 nan 8.270 nan 0.000 0.430 250 E N 0.423 120.606 120.200 -0.030 0.000 2.097 250 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 250 E C 1.988 178.593 176.600 0.008 0.000 1.000 250 E CA 1.103 57.502 56.400 -0.001 0.000 0.804 250 E CB -0.087 29.629 29.700 0.026 0.000 0.740 250 E HN 0.203 nan 8.360 nan 0.000 0.454 251 I N 1.043 121.627 120.570 0.024 0.000 2.127 251 I HA -0.227 3.943 4.170 -0.000 0.000 0.241 251 I C 2.419 178.526 176.117 -0.017 0.000 1.075 251 I CA 1.531 62.849 61.300 0.031 0.000 1.334 251 I CB -1.507 36.526 38.000 0.055 0.000 1.040 251 I HN 0.083 nan 8.210 nan 0.000 0.405 252 T N 1.239 115.751 114.554 -0.070 0.000 2.849 252 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 252 T C 1.924 176.600 174.700 -0.040 0.000 1.066 252 T CA 1.302 63.356 62.100 -0.076 0.000 1.130 252 T CB -0.233 68.543 68.868 -0.153 0.000 0.864 252 T HN 0.463 nan 8.240 nan 0.000 0.481 253 A N 1.008 123.806 122.820 -0.036 0.000 1.969 253 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 253 A C 2.160 179.742 177.584 -0.004 0.000 1.169 253 A CA 1.332 53.358 52.037 -0.019 0.000 0.635 253 A CB -0.186 18.802 19.000 -0.020 0.000 0.810 253 A HN 0.537 nan 8.150 nan 0.000 0.445 254 E N -1.277 118.925 120.200 0.002 0.000 2.290 254 E HA 0.251 4.601 4.350 -0.000 0.000 0.199 254 E C -0.204 176.405 176.600 0.014 0.000 0.912 254 E CA -0.290 56.115 56.400 0.010 0.000 0.924 254 E CB 0.155 29.864 29.700 0.014 0.000 0.901 254 E HN 0.458 nan 8.360 nan 0.000 0.487 255 L N 3.394 124.626 121.223 0.016 0.000 2.350 255 L HA 0.211 4.551 4.340 -0.000 0.000 0.275 255 L C -1.971 174.914 176.870 0.024 0.000 1.099 255 L CA -1.859 52.994 54.840 0.021 0.000 0.808 255 L CB 0.658 42.733 42.059 0.026 0.000 1.149 255 L HN -0.097 nan 8.230 nan 0.000 0.442 256 P HA 0.123 nan 4.420 nan 0.000 0.232 256 P C -0.470 176.867 177.300 0.062 0.000 1.738 256 P CA 0.437 63.564 63.100 0.044 0.000 0.948 256 P CB -0.389 31.334 31.700 0.038 0.000 1.943 257 I N 1.035 121.640 120.570 0.057 0.000 2.362 257 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 257 I C 0.335 176.516 176.117 0.106 0.000 0.994 257 I CA -1.356 59.987 61.300 0.072 0.000 1.158 257 I CB 1.326 39.340 38.000 0.023 0.000 1.315 257 I HN 0.017 nan 8.210 nan 0.000 0.451 258 Y N 6.741 127.070 120.300 0.048 0.000 2.411 258 Y HA 0.264 4.814 4.550 0.000 0.000 0.333 258 Y C -0.479 175.445 175.900 0.040 0.000 1.186 258 Y CA -0.085 58.077 58.100 0.103 0.000 1.381 258 Y CB 0.850 39.374 38.460 0.107 0.000 1.273 258 Y HN 0.440 nan 8.280 nan 0.000 0.546 259 L N 6.339 127.357 121.223 -0.342 0.000 2.264 259 L HA 0.623 4.963 4.340 -0.000 0.000 0.289 259 L C -0.666 176.070 176.870 -0.224 0.000 1.044 259 L CA -0.398 54.220 54.840 -0.370 0.000 0.807 259 L CB 0.647 42.286 42.059 -0.701 0.000 1.192 259 L HN 0.712 nan 8.230 nan 0.000 0.425 260 A N 5.584 128.386 122.820 -0.029 0.000 2.280 260 A HA 0.632 4.952 4.320 -0.000 0.000 0.320 260 A C -0.334 177.238 177.584 -0.021 0.000 1.366 260 A CA -0.409 51.667 52.037 0.066 0.000 0.938 260 A CB -0.171 18.894 19.000 0.109 0.000 1.157 260 A HN 0.928 nan 8.150 nan 0.000 0.536 261 N N 0.359 119.046 118.700 -0.022 0.000 2.831 261 N HA 0.283 5.023 4.740 -0.000 0.000 0.276 261 N C 0.718 176.238 175.510 0.016 0.000 1.416 261 N CA -0.748 52.280 53.050 -0.036 0.000 0.799 261 N CB 1.821 40.235 38.487 -0.122 0.000 1.554 261 N HN 0.383 nan 8.380 nan 0.000 0.541 262 S N 0.297 116.010 115.700 0.021 0.000 2.447 262 S HA -0.060 4.410 4.470 -0.000 0.000 0.233 262 S C 1.715 176.335 174.600 0.032 0.000 1.006 262 S CA 0.844 59.069 58.200 0.041 0.000 0.957 262 S CB -0.168 63.060 63.200 0.047 0.000 0.773 262 S HN 0.346 nan 8.310 nan 0.000 0.507 263 L N 1.787 123.017 121.223 0.011 0.000 2.056 263 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 263 L C 1.029 177.938 176.870 0.065 0.000 1.078 263 L CA 0.872 55.720 54.840 0.014 0.000 0.749 263 L CB -0.785 41.267 42.059 -0.010 0.000 0.901 263 L HN 0.210 nan 8.230 nan 0.000 0.433 264 N N 0.297 119.061 118.700 0.107 0.000 2.374 264 N HA -0.084 4.656 4.740 -0.000 0.000 0.269 264 N C 1.274 176.886 175.510 0.170 0.000 1.310 264 N CA 0.679 53.836 53.050 0.179 0.000 0.877 264 N CB 0.848 39.471 38.487 0.226 0.000 1.096 264 N HN 0.261 nan 8.380 nan 0.000 0.484 265 S N 2.449 118.275 115.700 0.210 0.000 2.489 265 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 265 S C 1.880 176.599 174.600 0.197 0.000 0.995 265 S CA 0.050 58.381 58.200 0.219 0.000 0.934 265 S CB 0.110 63.473 63.200 0.271 0.000 0.771 265 S HN 0.378 nan 8.310 nan 0.000 0.522 266 L N 2.132 123.486 121.223 0.219 0.000 2.017 266 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 266 L C 2.766 179.679 176.870 0.071 0.000 1.073 266 L CA 1.590 56.514 54.840 0.140 0.000 0.745 266 L CB -0.889 41.271 42.059 0.169 0.000 0.894 266 L HN 0.265 nan 8.230 nan 0.000 0.432 267 R N -0.955 119.594 120.500 0.082 0.000 2.091 267 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 267 R C 2.203 178.520 176.300 0.028 0.000 1.136 267 R CA 1.281 57.401 56.100 0.034 0.000 0.959 267 R CB -0.487 29.843 30.300 0.050 0.000 0.856 267 R HN 0.321 nan 8.270 nan 0.000 0.437 268 L N 0.602 121.870 121.223 0.075 0.000 2.131 268 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 268 L C 2.191 179.058 176.870 -0.005 0.000 1.092 268 L CA 0.964 55.849 54.840 0.074 0.000 0.759 268 L CB -0.477 41.678 42.059 0.160 0.000 0.903 268 L HN 0.159 nan 8.230 nan 0.000 0.435 269 E N 0.532 120.728 120.200 -0.006 0.000 2.110 269 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 269 E C 2.209 178.706 176.600 -0.170 0.000 0.988 269 E CA 1.400 57.768 56.400 -0.053 0.000 0.804 269 E CB -0.337 29.360 29.700 -0.005 0.000 0.745 269 E HN 0.522 nan 8.360 nan 0.000 0.458 270 G N 0.712 109.393 108.800 -0.199 0.000 2.408 270 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 270 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 270 G C 1.523 176.275 174.900 -0.247 0.000 1.156 270 G CA 0.219 45.141 45.100 -0.296 0.000 0.793 270 G HN 0.236 nan 8.290 nan 0.000 0.535 271 Q N 0.297 120.001 119.800 -0.160 0.000 2.230 271 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 271 Q C 2.409 178.188 176.000 -0.369 0.000 0.963 271 Q CA 1.262 56.976 55.803 -0.149 0.000 0.866 271 Q CB -0.095 28.665 28.738 0.036 0.000 0.931 271 Q HN 0.681 nan 8.270 nan 0.000 0.452 272 K N 0.579 120.775 120.400 -0.340 0.000 2.362 272 K HA -0.093 4.227 4.320 -0.000 0.000 0.200 272 K C 1.774 178.080 176.600 -0.490 0.000 1.046 272 K CA 1.658 57.679 56.287 -0.444 0.000 0.952 272 K CB -0.255 32.063 32.500 -0.302 0.000 0.753 272 K HN 0.123 nan 8.250 nan 0.000 0.466 273 T N -2.107 112.197 114.554 -0.417 0.000 2.995 273 T HA 0.088 4.438 4.350 -0.000 0.000 0.269 273 T C 2.111 176.564 174.700 -0.413 0.000 1.091 273 T CA 0.616 62.477 62.100 -0.399 0.000 1.128 273 T CB -0.114 68.524 68.868 -0.384 0.000 0.891 273 T HN 0.302 nan 8.240 nan 0.000 0.492 274 A N 1.765 124.292 122.820 -0.488 0.000 1.933 274 A HA 0.306 4.626 4.320 -0.000 0.000 0.218 274 A C 2.804 180.126 177.584 -0.435 0.000 1.175 274 A CA 1.756 53.531 52.037 -0.436 0.000 0.628 274 A CB -1.346 17.352 19.000 -0.503 0.000 0.814 274 A HN 0.744 nan 8.150 nan 0.000 0.444 275 A N 0.038 122.399 122.820 -0.766 0.000 1.898 275 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 275 A C 2.092 179.373 177.584 -0.505 0.000 1.181 275 A CA 1.431 52.941 52.037 -0.878 0.000 0.620 275 A CB -0.598 17.435 19.000 -1.611 0.000 0.819 275 A HN 0.500 nan 8.150 nan 0.000 0.442 276 I N -0.564 119.774 120.570 -0.386 0.000 2.226 276 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 276 I C 2.520 178.510 176.117 -0.212 0.000 1.100 276 I CA 1.790 62.988 61.300 -0.171 0.000 1.374 276 I CB -0.397 37.487 38.000 -0.194 0.000 1.057 276 I HN 0.526 nan 8.210 nan 0.000 0.413 277 E N 1.726 121.770 120.200 -0.260 0.000 2.051 277 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 277 E C 2.336 178.805 176.600 -0.218 0.000 0.991 277 E CA 1.381 57.627 56.400 -0.256 0.000 0.799 277 E CB -0.045 29.524 29.700 -0.220 0.000 0.748 277 E HN 0.422 nan 8.360 nan 0.000 0.449 278 I N 0.500 121.014 120.570 -0.092 0.000 2.151 278 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 278 I C 2.254 178.393 176.117 0.036 0.000 1.080 278 I CA 0.636 61.946 61.300 0.016 0.000 1.339 278 I CB -0.222 37.938 38.000 0.268 0.000 1.039 278 I HN 0.243 nan 8.210 nan 0.000 0.409 279 L N 0.245 121.516 121.223 0.079 0.000 1.989 279 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 279 L C 2.580 179.215 176.870 -0.392 0.000 1.071 279 L CA 1.858 56.720 54.840 0.037 0.000 0.749 279 L CB -1.103 41.082 42.059 0.210 0.000 0.890 279 L HN 0.307 nan 8.230 nan 0.000 0.431 280 Q N -1.082 118.245 119.800 -0.788 0.000 2.084 280 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 280 Q C 2.174 177.762 176.000 -0.687 0.000 0.978 280 Q CA 1.605 56.670 55.803 -1.229 0.000 0.844 280 Q CB 0.003 28.169 28.738 -0.954 0.000 0.898 280 Q HN 0.566 nan 8.270 nan 0.000 0.426 281 Q N -0.995 118.515 119.800 -0.484 0.000 2.224 281 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 281 Q C 0.568 176.246 176.000 -0.538 0.000 0.970 281 Q CA 0.640 56.164 55.803 -0.465 0.000 0.865 281 Q CB 0.194 28.649 28.738 -0.471 0.000 0.922 281 Q HN 0.313 nan 8.270 nan 0.000 0.445 282 F N 1.285 121.011 119.950 -0.373 0.000 2.663 282 F HA 0.064 4.591 4.527 0.000 0.000 0.299 282 F C -0.128 175.519 175.800 -0.256 0.000 1.143 282 F CA -0.301 57.497 58.000 -0.336 0.000 1.387 282 F CB 0.074 38.892 39.000 -0.302 0.000 1.019 282 F HN -0.002 nan 8.300 nan 0.000 0.523 283 D N -0.853 119.442 120.400 -0.175 0.000 2.689 283 D HA -0.298 4.341 4.640 -0.000 0.000 0.237 283 D C -0.240 176.083 176.300 0.038 0.000 1.148 283 D CA 0.867 54.788 54.000 -0.131 0.000 0.656 283 D CB -1.588 39.204 40.800 -0.013 0.000 1.050 283 D HN 0.652 nan 8.370 nan 0.000 0.426 284 W N -1.184 120.155 121.300 0.065 0.000 4.706 284 W HA -0.258 4.402 4.660 0.000 0.000 0.366 284 W C 0.609 177.157 176.519 0.048 0.000 1.382 284 W CA 0.215 57.601 57.345 0.067 0.000 0.832 284 W CB -2.316 27.180 29.460 0.060 0.000 2.504 284 W HN 0.231 nan 8.180 nan 0.000 1.403 285 Q N -0.039 119.859 119.800 0.163 0.000 2.312 285 Q HA 0.575 4.915 4.340 -0.000 0.000 0.263 285 Q C -0.075 175.908 176.000 -0.029 0.000 0.995 285 Q CA -1.000 54.833 55.803 0.049 0.000 0.853 285 Q CB 2.547 31.267 28.738 -0.030 0.000 1.300 285 Q HN -0.063 nan 8.270 nan 0.000 0.448 286 V N 4.801 124.675 119.914 -0.067 0.000 2.406 286 V HA 0.261 4.381 4.120 -0.000 0.000 0.272 286 V C -1.787 174.152 176.094 -0.259 0.000 1.043 286 V CA -1.425 60.802 62.300 -0.121 0.000 0.915 286 V CB 0.600 32.366 31.823 -0.094 0.000 0.988 286 V HN 0.705 nan 8.190 nan 0.000 0.466 287 P HA 0.195 nan 4.420 nan 0.000 0.272 287 P C 0.112 177.238 177.300 -0.291 0.000 1.230 287 P CA -0.254 62.641 63.100 -0.342 0.000 0.788 287 P CB 1.218 32.773 31.700 -0.240 0.000 0.949 288 D N -0.010 120.248 120.400 -0.237 0.000 2.162 288 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 288 D C 0.019 175.927 176.300 -0.653 0.000 0.967 288 D CA 1.615 55.378 54.000 -0.395 0.000 0.840 288 D CB 0.109 40.776 40.800 -0.222 0.000 0.972 288 D HN 0.445 nan 8.370 nan 0.000 0.482 289 W N -0.010 121.249 121.300 -0.069 0.000 3.022 289 W HA 0.464 5.124 4.660 -0.000 0.000 0.335 289 W C -1.081 175.422 176.519 -0.028 0.000 1.133 289 W CA -0.763 56.556 57.345 -0.045 0.000 1.219 289 W CB 1.713 31.168 29.460 -0.008 0.000 1.409 289 W HN -0.469 nan 8.180 nan 0.000 0.507 290 V N 4.467 124.502 119.914 0.203 0.000 2.525 290 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 290 V C -0.697 175.448 176.094 0.085 0.000 1.034 290 V CA -0.878 61.500 62.300 0.129 0.000 0.863 290 V CB 1.436 33.330 31.823 0.118 0.000 0.999 290 V HN 0.334 nan 8.190 nan 0.000 0.423 291 I N 5.411 126.002 120.570 0.034 0.000 2.362 291 I HA 0.569 4.739 4.170 -0.000 0.000 0.289 291 I C -0.331 175.714 176.117 -0.120 0.000 0.994 291 I CA -0.302 60.991 61.300 -0.012 0.000 1.158 291 I CB 1.881 39.892 38.000 0.017 0.000 1.315 291 I HN 0.309 nan 8.210 nan 0.000 0.451 292 V N 7.940 127.763 119.914 -0.152 0.000 2.588 292 V HA 0.470 4.590 4.120 -0.000 0.000 0.304 292 V C -2.384 173.638 176.094 -0.119 0.000 1.042 292 V CA -1.989 60.169 62.300 -0.236 0.000 0.877 292 V CB 1.950 33.539 31.823 -0.389 0.000 0.996 292 V HN 0.506 nan 8.190 nan 0.000 0.425 293 P HA 0.250 nan 4.420 nan 0.000 0.267 293 P C 0.060 177.351 177.300 -0.016 0.000 1.205 293 P CA 0.283 63.359 63.100 -0.039 0.000 0.765 293 P CB 0.608 32.297 31.700 -0.018 0.000 0.828 294 G N 2.352 111.170 108.800 0.029 0.000 2.588 294 G HA2 0.481 4.441 3.960 -0.000 0.000 0.312 294 G HA3 0.481 4.441 3.960 -0.000 0.000 0.312 294 G C 0.674 175.621 174.900 0.078 0.000 1.257 294 G CA -0.453 44.683 45.100 0.061 0.000 0.994 294 G HN 0.527 nan 8.290 nan 0.000 0.498 295 G N 1.587 110.440 108.800 0.088 0.000 2.618 295 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.222 295 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.222 295 G C 1.183 176.135 174.900 0.088 0.000 1.520 295 G CA -0.014 45.138 45.100 0.086 0.000 0.930 295 G HN 0.483 nan 8.290 nan 0.000 0.547 296 N N 0.183 118.939 118.700 0.094 0.000 2.461 296 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 296 N C 0.512 176.069 175.510 0.078 0.000 1.134 296 N CA 0.172 53.272 53.050 0.084 0.000 0.878 296 N CB 0.504 39.041 38.487 0.083 0.000 0.972 296 N HN 0.123 nan 8.380 nan 0.000 0.456 297 L N -1.693 119.589 121.223 0.098 0.000 4.950 297 L HA -0.193 4.147 4.340 -0.000 0.000 0.413 297 L C 1.576 178.520 176.870 0.123 0.000 1.020 297 L CA 0.994 55.894 54.840 0.100 0.000 1.239 297 L CB -1.979 40.123 42.059 0.072 0.000 2.004 297 L HN 0.203 nan 8.230 nan 0.000 0.658 298 G N -0.801 108.084 108.800 0.142 0.000 2.394 298 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.214 298 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.214 298 G C 1.211 176.269 174.900 0.264 0.000 1.176 298 G CA 0.819 46.031 45.100 0.186 0.000 0.786 298 G HN 0.587 nan 8.290 nan 0.000 0.533 299 N N 0.166 119.020 118.700 0.257 0.000 2.069 299 N HA -0.134 4.606 4.740 -0.000 0.000 0.191 299 N C 2.127 177.835 175.510 0.329 0.000 1.031 299 N CA 0.953 54.158 53.050 0.259 0.000 0.852 299 N CB -0.138 38.394 38.487 0.075 0.000 1.018 299 N HN 0.170 nan 8.380 nan 0.000 0.423 300 I N 0.912 121.626 120.570 0.240 0.000 2.264 300 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 300 I C 1.981 178.303 176.117 0.341 0.000 1.111 300 I CA 1.328 62.770 61.300 0.236 0.000 1.382 300 I CB -0.789 37.293 38.000 0.137 0.000 1.060 300 I HN 0.278 nan 8.210 nan 0.000 0.418 301 Y N 1.832 122.255 120.300 0.204 0.000 2.200 301 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 301 Y C 2.496 178.550 175.900 0.257 0.000 1.137 301 Y CA 1.823 60.062 58.100 0.232 0.000 1.163 301 Y CB -0.540 38.004 38.460 0.140 0.000 0.988 301 Y HN 0.175 nan 8.280 nan 0.000 0.518 302 A N 0.023 122.917 122.820 0.124 0.000 1.908 302 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 302 A C 2.113 179.598 177.584 -0.166 0.000 1.181 302 A CA 1.865 53.858 52.037 -0.072 0.000 0.627 302 A CB -1.528 17.465 19.000 -0.011 0.000 0.818 302 A HN 0.540 nan 8.150 nan 0.000 0.445 303 F N -1.722 118.175 119.950 -0.088 0.000 2.095 303 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 303 F C 2.273 178.027 175.800 -0.076 0.000 1.104 303 F CA 2.056 59.965 58.000 -0.151 0.000 1.232 303 F CB -0.766 38.250 39.000 0.027 0.000 0.987 303 F HN 0.448 nan 8.300 nan 0.000 0.475 304 Y N 1.120 121.536 120.300 0.193 0.000 2.165 304 Y HA -0.270 4.280 4.550 -0.000 0.000 0.286 304 Y C 2.435 178.344 175.900 0.014 0.000 1.155 304 Y CA 2.017 60.225 58.100 0.181 0.000 1.164 304 Y CB -0.571 37.962 38.460 0.123 0.000 0.978 304 Y HN -0.012 nan 8.280 nan 0.000 0.513 305 K N -0.308 119.870 120.400 -0.370 0.000 2.097 305 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 305 K C 2.283 178.663 176.600 -0.366 0.000 1.050 305 K CA 1.200 57.203 56.287 -0.473 0.000 0.938 305 K CB -0.649 31.583 32.500 -0.447 0.000 0.718 305 K HN 0.503 nan 8.250 nan 0.000 0.442 306 G N 0.483 109.072 108.800 -0.352 0.000 2.404 306 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 306 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 306 G C 1.195 175.955 174.900 -0.233 0.000 1.174 306 G CA 0.504 45.398 45.100 -0.342 0.000 0.780 306 G HN 0.203 nan 8.290 nan 0.000 0.537 307 F N 1.112 121.001 119.950 -0.102 0.000 2.134 307 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 307 F C 2.529 178.245 175.800 -0.139 0.000 1.097 307 F CA 1.363 59.329 58.000 -0.056 0.000 1.264 307 F CB -0.395 38.603 39.000 -0.003 0.000 1.001 307 F HN 0.057 nan 8.300 nan 0.000 0.479 308 K N 0.315 120.620 120.400 -0.158 0.000 2.097 308 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 308 K C 2.161 178.641 176.600 -0.201 0.000 1.050 308 K CA 1.185 57.306 56.287 -0.277 0.000 0.938 308 K CB -0.434 31.663 32.500 -0.672 0.000 0.718 308 K HN 0.222 nan 8.250 nan 0.000 0.442 309 M N -0.471 118.985 119.600 -0.239 0.000 2.175 309 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 309 M C 1.765 177.892 176.300 -0.288 0.000 1.063 309 M CA 1.557 56.652 55.300 -0.341 0.000 1.119 309 M CB -0.103 32.222 32.600 -0.459 0.000 1.377 309 M HN 0.270 nan 8.290 nan 0.000 0.415 310 C N -0.005 119.288 119.300 -0.011 0.000 2.440 310 C HA -0.128 4.332 4.460 -0.000 0.000 0.278 310 C C 2.773 177.809 174.990 0.077 0.000 1.295 310 C CA 0.837 59.961 59.018 0.176 0.000 1.738 310 C CB -1.067 26.876 27.740 0.338 0.000 1.987 310 C HN 0.604 nan 8.230 nan 0.000 0.492 311 Q N 1.324 121.147 119.800 0.038 0.000 2.050 311 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 311 Q C 1.938 177.924 176.000 -0.024 0.000 0.980 311 Q CA 1.715 57.528 55.803 0.016 0.000 0.840 311 Q CB -0.351 28.393 28.738 0.010 0.000 0.898 311 Q HN 0.678 nan 8.270 nan 0.000 0.424 312 E N -0.051 120.104 120.200 -0.075 0.000 2.204 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 312 E C 1.790 178.333 176.600 -0.095 0.000 0.990 312 E CA 0.654 57.000 56.400 -0.090 0.000 0.821 312 E CB 0.095 29.717 29.700 -0.130 0.000 0.750 312 E HN 0.334 nan 8.360 nan 0.000 0.477 313 L N -0.900 120.248 121.223 -0.125 0.000 2.607 313 L HA 0.222 4.562 4.340 -0.000 0.000 0.228 313 L C 1.178 178.078 176.870 0.050 0.000 1.123 313 L CA 0.218 55.008 54.840 -0.085 0.000 0.890 313 L CB 0.583 42.471 42.059 -0.285 0.000 1.103 313 L HN 0.219 nan 8.230 nan 0.000 0.468 314 G N -0.404 108.416 108.800 0.033 0.000 2.131 314 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.223 314 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.223 314 G C 0.804 175.725 174.900 0.036 0.000 0.990 314 G CA 0.048 45.175 45.100 0.046 0.000 0.671 314 G HN 0.123 nan 8.290 nan 0.000 0.521 315 L N -0.512 120.729 121.223 0.031 0.000 2.044 315 L HA 0.175 4.515 4.340 -0.000 0.000 0.205 315 L C 1.786 178.635 176.870 -0.035 0.000 1.075 315 L CA 2.478 57.268 54.840 -0.082 0.000 0.747 315 L CB -1.223 40.781 42.059 -0.093 0.000 0.903 315 L HN 0.655 nan 8.230 nan 0.000 0.435 316 V N -3.610 116.339 119.914 0.058 0.000 3.141 316 V HA 0.403 4.523 4.120 -0.000 0.000 0.312 316 V C 0.277 176.401 176.094 0.050 0.000 1.157 316 V CA -0.662 61.689 62.300 0.085 0.000 1.041 316 V CB 1.874 33.791 31.823 0.156 0.000 1.071 316 V HN 0.245 nan 8.190 nan 0.000 0.441 317 D N -0.172 120.250 120.400 0.036 0.000 2.379 317 D HA 0.116 4.756 4.640 -0.000 0.000 0.208 317 D C 0.567 176.870 176.300 0.005 0.000 1.065 317 D CA -0.014 53.996 54.000 0.016 0.000 0.848 317 D CB 0.618 41.424 40.800 0.009 0.000 0.949 317 D HN 0.826 nan 8.370 nan 0.000 0.509 318 R N 0.410 120.912 120.500 0.004 0.000 2.817 318 R HA 0.681 5.021 4.340 -0.000 0.000 0.268 318 R C -0.679 175.605 176.300 -0.027 0.000 1.027 318 R CA -1.040 55.047 56.100 -0.022 0.000 0.928 318 R CB 1.345 31.615 30.300 -0.050 0.000 1.228 318 R HN 0.035 nan 8.270 nan 0.000 0.469 319 I N -1.919 118.617 120.570 -0.058 0.000 2.693 319 I HA 0.639 4.809 4.170 -0.000 0.000 0.303 319 I C -2.646 173.336 176.117 -0.225 0.000 1.025 319 I CA -2.984 58.257 61.300 -0.097 0.000 1.086 319 I CB 2.105 40.106 38.000 0.002 0.000 1.268 319 I HN 0.390 nan 8.210 nan 0.000 0.440 320 P HA 0.338 nan 4.420 nan 0.000 0.274 320 P C -1.139 175.954 177.300 -0.344 0.000 1.237 320 P CA -0.459 62.360 63.100 -0.468 0.000 0.793 320 P CB 0.515 31.788 31.700 -0.711 0.000 0.977 321 R N 1.196 121.432 120.500 -0.440 0.000 2.390 321 R HA 0.472 4.812 4.340 -0.000 0.000 0.291 321 R C -0.020 176.213 176.300 -0.112 0.000 1.070 321 R CA -0.471 55.410 56.100 -0.365 0.000 1.014 321 R CB 0.391 30.210 30.300 -0.802 0.000 1.007 321 R HN 0.434 nan 8.270 nan 0.000 0.466 322 M N 1.943 121.575 119.600 0.053 0.000 2.472 322 M HA 0.348 4.828 4.480 -0.000 0.000 0.331 322 M C -1.210 175.206 176.300 0.193 0.000 1.170 322 M CA -0.618 54.764 55.300 0.137 0.000 1.009 322 M CB 2.197 34.879 32.600 0.136 0.000 1.672 322 M HN 0.239 nan 8.290 nan 0.000 0.453 323 V N 2.178 122.186 119.914 0.157 0.000 2.531 323 V HA 0.453 4.573 4.120 -0.000 0.000 0.301 323 V C -1.173 174.944 176.094 0.038 0.000 1.034 323 V CA -0.985 61.370 62.300 0.091 0.000 0.865 323 V CB 1.733 33.599 31.823 0.072 0.000 0.995 323 V HN 0.944 nan 8.190 nan 0.000 0.424 324 C N 5.147 124.464 119.300 0.029 0.000 2.295 324 C HA 0.873 5.333 4.460 -0.000 0.000 0.331 324 C C 0.575 175.586 174.990 0.034 0.000 1.280 324 C CA -0.248 58.791 59.018 0.035 0.000 1.746 324 C CB -0.047 27.737 27.740 0.074 0.000 2.328 324 C HN 1.055 nan 8.230 nan 0.000 0.521 325 A N 6.081 128.912 122.820 0.019 0.000 2.318 325 A HA 0.756 5.076 4.320 -0.000 0.000 0.324 325 A C -0.756 176.837 177.584 0.016 0.000 1.170 325 A CA -0.343 51.701 52.037 0.012 0.000 0.810 325 A CB 0.798 19.792 19.000 -0.009 0.000 1.198 325 A HN 0.922 nan 8.150 nan 0.000 0.484 326 Q N 0.435 120.239 119.800 0.007 0.000 2.458 326 Q HA 0.671 5.011 4.340 -0.000 0.000 0.282 326 Q C -0.444 175.531 176.000 -0.041 0.000 1.106 326 Q CA -1.018 54.790 55.803 0.009 0.000 0.814 326 Q CB 2.464 31.235 28.738 0.055 0.000 1.425 326 Q HN 0.915 nan 8.270 nan 0.000 0.437 327 A N 0.477 123.281 122.820 -0.028 0.000 2.363 327 A HA 0.508 4.828 4.320 -0.000 0.000 0.270 327 A C 0.887 178.434 177.584 -0.062 0.000 1.121 327 A CA 0.389 52.394 52.037 -0.052 0.000 0.800 327 A CB 0.521 19.498 19.000 -0.038 0.000 1.052 327 A HN 0.898 nan 8.150 nan 0.000 0.493 328 A N 2.277 125.043 122.820 -0.090 0.000 2.024 328 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 328 A C 1.500 179.060 177.584 -0.040 0.000 1.164 328 A CA 1.889 53.870 52.037 -0.093 0.000 0.643 328 A CB -0.521 18.420 19.000 -0.099 0.000 0.806 328 A HN 0.801 nan 8.150 nan 0.000 0.451 329 N N -0.173 118.507 118.700 -0.033 0.000 2.515 329 N HA 0.180 4.920 4.740 -0.000 0.000 0.185 329 N C 0.265 175.774 175.510 -0.002 0.000 1.109 329 N CA 1.018 54.057 53.050 -0.019 0.000 0.903 329 N CB 0.051 38.518 38.487 -0.033 0.000 0.969 329 N HN 0.460 nan 8.380 nan 0.000 0.450 330 A N 0.815 123.640 122.820 0.008 0.000 3.422 330 A HA 0.239 4.559 4.320 -0.000 0.000 0.271 330 A C -0.485 177.134 177.584 0.058 0.000 1.104 330 A CA -0.868 51.189 52.037 0.033 0.000 0.899 330 A CB -0.907 18.110 19.000 0.028 0.000 1.309 330 A HN 0.364 nan 8.150 nan 0.000 0.580 331 N N 0.425 119.173 118.700 0.081 0.000 2.914 331 N HA 0.299 5.039 4.740 -0.000 0.000 0.304 331 N C -1.822 173.807 175.510 0.198 0.000 1.727 331 N CA -1.539 51.595 53.050 0.139 0.000 0.986 331 N CB 1.224 39.785 38.487 0.123 0.000 1.297 331 N HN 0.185 nan 8.380 nan 0.000 0.490 332 P HA -0.127 nan 4.420 nan 0.000 0.217 332 P C 1.473 178.929 177.300 0.260 0.000 1.154 332 P CA 0.320 63.535 63.100 0.192 0.000 0.841 332 P CB 0.406 32.202 31.700 0.160 0.000 0.788 333 L N -1.038 120.348 121.223 0.271 0.000 2.046 333 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 333 L C 2.732 179.810 176.870 0.346 0.000 1.077 333 L CA 1.636 56.682 54.840 0.344 0.000 0.747 333 L CB -1.642 40.593 42.059 0.294 0.000 0.896 333 L HN -0.173 nan 8.230 nan 0.000 0.432 334 Y N -0.252 120.155 120.300 0.177 0.000 2.128 334 Y HA -0.268 4.282 4.550 0.000 0.000 0.284 334 Y C 2.182 178.163 175.900 0.135 0.000 1.154 334 Y CA 2.120 60.307 58.100 0.145 0.000 1.149 334 Y CB -0.336 38.182 38.460 0.097 0.000 0.976 334 Y HN 0.185 nan 8.280 nan 0.000 0.505 335 L N -0.826 120.483 121.223 0.145 0.000 2.141 335 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 335 L C 2.620 179.521 176.870 0.051 0.000 1.094 335 L CA 1.700 56.565 54.840 0.040 0.000 0.763 335 L CB -0.774 41.369 42.059 0.140 0.000 0.908 335 L HN 0.421 nan 8.230 nan 0.000 0.437 336 H N -1.121 117.985 119.070 0.059 0.000 2.395 336 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 336 H C 2.265 177.549 175.328 -0.074 0.000 1.070 336 H CA 1.478 57.596 56.048 0.116 0.000 1.356 336 H CB 0.263 30.210 29.762 0.309 0.000 1.401 336 H HN 0.325 nan 8.280 nan 0.000 0.524 337 Y N 1.939 121.960 120.300 -0.465 0.000 2.163 337 Y HA -0.097 4.453 4.550 0.000 0.000 0.288 337 Y C 2.033 177.428 175.900 -0.842 0.000 1.136 337 Y CA 1.467 58.886 58.100 -1.134 0.000 1.147 337 Y CB -0.123 37.805 38.460 -0.887 0.000 0.987 337 Y HN -0.043 nan 8.280 nan 0.000 0.509 338 K N 0.182 120.081 120.400 -0.835 0.000 2.525 338 K HA -0.010 4.310 4.320 -0.000 0.000 0.192 338 K C 1.570 177.864 176.600 -0.511 0.000 1.029 338 K CA 0.857 56.673 56.287 -0.785 0.000 1.029 338 K CB -0.126 32.004 32.500 -0.617 0.000 0.814 338 K HN 0.434 nan 8.250 nan 0.000 0.503 339 S N -0.467 114.988 115.700 -0.409 0.000 2.605 339 S HA 0.143 4.613 4.470 -0.000 0.000 0.217 339 S C 1.029 175.476 174.600 -0.255 0.000 0.958 339 S CA 0.082 58.139 58.200 -0.238 0.000 0.919 339 S CB 0.337 63.487 63.200 -0.084 0.000 0.780 339 S HN 0.332 nan 8.310 nan 0.000 0.507 340 G N 0.881 109.410 108.800 -0.453 0.000 2.248 340 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 340 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 340 G C 0.061 174.839 174.900 -0.203 0.000 1.082 340 G CA -0.324 44.547 45.100 -0.381 0.000 0.863 340 G HN 0.669 nan 8.290 nan 0.000 0.495 341 W N -1.866 119.254 121.300 -0.299 0.000 4.551 341 W HA -0.221 4.439 4.660 -0.000 0.000 0.343 341 W C 1.020 177.419 176.519 -0.200 0.000 1.269 341 W CA 1.055 58.131 57.345 -0.449 0.000 0.799 341 W CB -0.956 28.380 29.460 -0.207 0.000 2.352 341 W HN 0.584 nan 8.180 nan 0.000 1.462 342 K N 0.896 121.378 120.400 0.137 0.000 2.316 342 K HA 0.353 4.673 4.320 -0.000 0.000 0.251 342 K C -0.149 176.700 176.600 0.415 0.000 0.934 342 K CA -0.422 56.053 56.287 0.312 0.000 0.802 342 K CB 1.380 33.979 32.500 0.166 0.000 1.171 342 K HN -0.109 nan 8.250 nan 0.000 0.426 343 D N 2.604 123.260 120.400 0.426 0.000 4.044 343 D HA -0.203 4.437 4.640 -0.000 0.000 0.242 343 D C -1.365 175.133 176.300 0.331 0.000 1.076 343 D CA 0.744 54.907 54.000 0.272 0.000 1.171 343 D CB -1.001 39.884 40.800 0.142 0.000 0.866 343 D HN 0.408 nan 8.370 nan 0.000 0.413 344 F N 0.935 120.834 119.950 -0.085 0.000 2.436 344 F HA 0.767 5.294 4.527 -0.000 0.000 0.340 344 F C -0.102 175.642 175.800 -0.094 0.000 1.113 344 F CA -0.866 56.972 58.000 -0.270 0.000 1.022 344 F CB 1.473 40.008 39.000 -0.774 0.000 1.128 344 F HN -0.131 nan 8.300 nan 0.000 0.466 345 K N 4.269 124.642 120.400 -0.045 0.000 2.471 345 K HA 0.340 4.660 4.320 -0.000 0.000 0.252 345 K C -2.874 173.727 176.600 0.001 0.000 0.938 345 K CA -1.808 54.424 56.287 -0.092 0.000 0.796 345 K CB 2.131 34.602 32.500 -0.049 0.000 1.161 345 K HN 0.377 nan 8.250 nan 0.000 0.425 346 P HA 0.027 nan 4.420 nan 0.000 0.262 346 P C -0.260 177.057 177.300 0.029 0.000 1.455 346 P CA -0.255 62.863 63.100 0.030 0.000 1.217 346 P CB -0.166 31.543 31.700 0.015 0.000 1.625 347 M N 0.289 119.918 119.600 0.048 0.000 2.157 347 M HA 0.336 4.816 4.480 -0.000 0.000 0.304 347 M C 0.002 176.326 176.300 0.040 0.000 1.171 347 M CA 0.535 55.861 55.300 0.043 0.000 1.157 347 M CB -0.538 32.097 32.600 0.059 0.000 1.403 347 M HN -0.088 nan 8.290 nan 0.000 0.473 348 T N 1.827 116.400 114.554 0.032 0.000 2.728 348 T HA 0.657 5.007 4.350 -0.000 0.000 0.296 348 T C 0.027 174.742 174.700 0.026 0.000 0.940 348 T CA -0.498 61.619 62.100 0.028 0.000 1.013 348 T CB 0.279 69.159 68.868 0.020 0.000 0.912 348 T HN 0.810 nan 8.240 nan 0.000 0.484 349 A N 3.283 126.118 122.820 0.026 0.000 2.354 349 A HA 0.647 4.967 4.320 -0.000 0.000 0.269 349 A C 0.593 178.178 177.584 0.001 0.000 1.109 349 A CA -0.515 51.531 52.037 0.016 0.000 0.800 349 A CB 0.582 19.592 19.000 0.018 0.000 1.045 349 A HN 0.683 nan 8.150 nan 0.000 0.489 350 S N 0.173 115.866 115.700 -0.012 0.000 2.664 350 S HA 0.582 5.052 4.470 -0.000 0.000 0.304 350 S C 0.203 174.771 174.600 -0.052 0.000 1.099 350 S CA -0.441 57.742 58.200 -0.028 0.000 1.003 350 S CB 0.843 64.027 63.200 -0.027 0.000 1.092 350 S HN 0.803 nan 8.310 nan 0.000 0.525 351 T N 3.705 118.215 114.554 -0.073 0.000 2.849 351 T HA 0.220 4.570 4.350 -0.000 0.000 0.289 351 T C -0.203 174.405 174.700 -0.154 0.000 1.010 351 T CA 0.517 62.546 62.100 -0.118 0.000 1.161 351 T CB -0.182 68.600 68.868 -0.144 0.000 0.989 351 T HN 0.636 nan 8.240 nan 0.000 0.523 352 T N 2.588 117.045 114.554 -0.162 0.000 2.907 352 T HA 0.419 4.769 4.350 -0.000 0.000 0.292 352 T C 0.737 175.310 174.700 -0.211 0.000 1.043 352 T CA -0.798 61.206 62.100 -0.160 0.000 1.003 352 T CB 1.401 70.220 68.868 -0.082 0.000 1.084 352 T HN 0.421 nan 8.240 nan 0.000 0.483 353 F N 0.989 120.873 119.950 -0.110 0.000 2.293 353 F HA 0.137 4.664 4.527 0.000 0.000 0.300 353 F C 2.120 177.764 175.800 -0.261 0.000 1.086 353 F CA 0.408 58.326 58.000 -0.136 0.000 1.375 353 F CB 0.054 38.966 39.000 -0.147 0.000 1.045 353 F HN 0.614 nan 8.300 nan 0.000 0.516 354 A N -0.001 122.709 122.820 -0.184 0.000 3.037 354 A HA 0.226 4.546 4.320 -0.000 0.000 0.272 354 A C 1.439 178.954 177.584 -0.115 0.000 1.723 354 A CA 0.071 51.794 52.037 -0.524 0.000 1.413 354 A CB -0.677 18.056 19.000 -0.445 0.000 1.112 354 A HN 0.253 nan 8.150 nan 0.000 0.606 355 S N 1.621 117.340 115.700 0.031 0.000 2.368 355 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 355 S C 2.223 176.926 174.600 0.171 0.000 1.044 355 S CA 1.795 60.076 58.200 0.136 0.000 1.062 355 S CB -0.286 63.046 63.200 0.219 0.000 0.931 355 S HN 1.032 nan 8.310 nan 0.000 0.440 356 A N 0.150 123.172 122.820 0.336 0.000 2.172 356 A HA 0.180 4.500 4.320 -0.000 0.000 0.216 356 A C 1.905 179.535 177.584 0.075 0.000 1.154 356 A CA 0.643 52.744 52.037 0.107 0.000 0.701 356 A CB -0.479 18.498 19.000 -0.038 0.000 0.789 356 A HN 0.542 nan 8.150 nan 0.000 0.465 357 I N -0.361 120.314 120.570 0.175 0.000 3.783 357 I HA -0.026 4.144 4.170 -0.000 0.000 0.310 357 I C 0.814 176.973 176.117 0.069 0.000 1.274 357 I CA 0.085 61.463 61.300 0.129 0.000 1.294 357 I CB 0.020 38.137 38.000 0.195 0.000 1.051 357 I HN 0.554 nan 8.210 nan 0.000 0.435 358 Q N 2.518 122.342 119.800 0.040 0.000 2.641 358 Q HA 0.218 4.558 4.340 -0.000 0.000 0.225 358 Q C -0.937 175.065 176.000 0.004 0.000 1.309 358 Q CA 0.090 55.898 55.803 0.009 0.000 0.935 358 Q CB 0.119 28.846 28.738 -0.019 0.000 1.557 358 Q HN 0.172 nan 8.270 nan 0.000 0.563 359 I N 2.589 123.178 120.570 0.032 0.000 2.418 359 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 359 I C 1.057 177.210 176.117 0.061 0.000 1.008 359 I CA -0.597 60.731 61.300 0.047 0.000 1.104 359 I CB 1.128 39.165 38.000 0.062 0.000 1.264 359 I HN 0.731 nan 8.210 nan 0.000 0.438 360 G N 4.547 113.384 108.800 0.062 0.000 2.404 360 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.213 360 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.213 360 G C 0.331 175.275 174.900 0.074 0.000 1.189 360 G CA 0.445 45.583 45.100 0.064 0.000 0.796 360 G HN 0.560 nan 8.290 nan 0.000 0.532 361 D N 1.106 121.552 120.400 0.077 0.000 2.477 361 D HA 0.352 4.992 4.640 -0.000 0.000 0.239 361 D C -2.386 173.962 176.300 0.080 0.000 1.102 361 D CA -2.156 51.891 54.000 0.079 0.000 0.901 361 D CB 1.387 42.226 40.800 0.066 0.000 1.026 361 D HN 0.068 nan 8.370 nan 0.000 0.515 362 P HA 0.017 nan 4.420 nan 0.000 0.271 362 P C 1.097 178.424 177.300 0.045 0.000 1.220 362 P CA -0.404 62.737 63.100 0.070 0.000 0.768 362 P CB 1.813 33.558 31.700 0.076 0.000 0.848 363 V N 2.746 122.678 119.914 0.030 0.000 2.307 363 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 363 V C 1.801 177.861 176.094 -0.056 0.000 1.045 363 V CA 2.095 64.394 62.300 -0.001 0.000 1.024 363 V CB -0.835 30.990 31.823 0.004 0.000 0.651 363 V HN 0.564 nan 8.190 nan 0.000 0.449 364 S N -0.348 115.310 115.700 -0.070 0.000 2.677 364 S HA 0.252 4.722 4.470 -0.000 0.000 0.246 364 S C 1.458 175.940 174.600 -0.197 0.000 1.005 364 S CA -0.070 58.025 58.200 -0.175 0.000 1.062 364 S CB -0.197 62.922 63.200 -0.136 0.000 0.778 364 S HN 0.499 nan 8.310 nan 0.000 0.461 365 I N 1.834 122.325 120.570 -0.132 0.000 2.127 365 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 365 I C 1.652 177.642 176.117 -0.211 0.000 1.075 365 I CA 1.695 62.924 61.300 -0.118 0.000 1.334 365 I CB 0.038 37.996 38.000 -0.070 0.000 1.040 365 I HN 0.201 nan 8.210 nan 0.000 0.405 366 D N 0.447 120.677 120.400 -0.283 0.000 2.178 366 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 366 D C 2.302 178.426 176.300 -0.294 0.000 0.980 366 D CA 1.054 54.911 54.000 -0.237 0.000 0.842 366 D CB -0.184 40.559 40.800 -0.095 0.000 0.948 366 D HN 0.446 nan 8.370 nan 0.000 0.472 367 R N 0.789 120.836 120.500 -0.755 0.000 2.070 367 R HA -0.053 4.287 4.340 -0.000 0.000 0.233 367 R C 2.399 178.575 176.300 -0.206 0.000 1.137 367 R CA 1.337 56.879 56.100 -0.929 0.000 0.945 367 R CB -0.289 29.189 30.300 -1.370 0.000 0.845 367 R HN 0.078 nan 8.270 nan 0.000 0.430 368 A N 0.706 123.454 122.820 -0.120 0.000 1.877 368 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 368 A C 2.387 179.949 177.584 -0.038 0.000 1.186 368 A CA 1.563 53.623 52.037 0.039 0.000 0.620 368 A CB -0.697 18.336 19.000 0.055 0.000 0.822 368 A HN 0.123 nan 8.150 nan 0.000 0.443 369 V N -1.237 118.601 119.914 -0.126 0.000 2.287 369 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 369 V C 2.379 178.224 176.094 -0.414 0.000 1.053 369 V CA 2.288 64.347 62.300 -0.402 0.000 1.027 369 V CB -1.158 30.494 31.823 -0.285 0.000 0.646 369 V HN 0.714 nan 8.190 nan 0.000 0.447 370 Y N 1.370 121.538 120.300 -0.221 0.000 2.128 370 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 370 Y C 2.398 178.165 175.900 -0.222 0.000 1.154 370 Y CA 1.852 59.875 58.100 -0.128 0.000 1.149 370 Y CB -0.519 38.035 38.460 0.156 0.000 0.976 370 Y HN 0.147 nan 8.280 nan 0.000 0.505 371 A N 0.189 122.972 122.820 -0.063 0.000 1.902 371 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 371 A C 2.228 179.486 177.584 -0.544 0.000 1.181 371 A CA 1.835 53.587 52.037 -0.474 0.000 0.623 371 A CB -1.120 17.901 19.000 0.034 0.000 0.818 371 A HN 0.560 nan 8.150 nan 0.000 0.443 372 L N -0.882 120.162 121.223 -0.298 0.000 2.141 372 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 372 L C 2.527 179.282 176.870 -0.192 0.000 1.094 372 L CA 1.355 56.093 54.840 -0.170 0.000 0.763 372 L CB -0.311 41.739 42.059 -0.014 0.000 0.908 372 L HN 0.327 nan 8.230 nan 0.000 0.437 373 K N -0.251 119.899 120.400 -0.417 0.000 2.057 373 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 373 K C 2.182 178.622 176.600 -0.267 0.000 1.050 373 K CA 0.909 56.993 56.287 -0.337 0.000 0.935 373 K CB 0.038 32.242 32.500 -0.493 0.000 0.715 373 K HN 0.108 nan 8.250 nan 0.000 0.439 374 K N 0.476 120.616 120.400 -0.433 0.000 2.057 374 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 374 K C 2.287 178.790 176.600 -0.162 0.000 1.050 374 K CA 1.364 57.444 56.287 -0.345 0.000 0.935 374 K CB -0.278 31.918 32.500 -0.507 0.000 0.715 374 K HN 0.366 nan 8.250 nan 0.000 0.439 375 C N 0.763 119.952 119.300 -0.185 0.000 2.626 375 C HA 0.240 4.700 4.460 -0.000 0.000 0.266 375 C C 0.612 175.577 174.990 -0.042 0.000 1.317 375 C CA -0.609 58.389 59.018 -0.032 0.000 1.716 375 C CB -1.709 26.062 27.740 0.052 0.000 1.819 375 C HN 0.606 nan 8.230 nan 0.000 0.578 376 N N 0.504 119.186 118.700 -0.030 0.000 2.681 376 N HA -0.123 4.617 4.740 -0.000 0.000 0.259 376 N C 0.295 175.856 175.510 0.085 0.000 1.066 376 N CA 0.545 53.619 53.050 0.039 0.000 0.717 376 N CB -0.999 37.498 38.487 0.017 0.000 0.885 376 N HN 0.865 nan 8.380 nan 0.000 0.547 377 G N 0.677 109.547 108.800 0.115 0.000 2.531 377 G HA2 0.754 4.714 3.960 -0.000 0.000 0.313 377 G HA3 0.754 4.714 3.960 -0.000 0.000 0.313 377 G C -0.127 174.825 174.900 0.087 0.000 1.238 377 G CA -0.522 44.655 45.100 0.128 0.000 0.994 377 G HN 0.313 nan 8.290 nan 0.000 0.493 378 I N -1.106 119.438 120.570 -0.044 0.000 2.769 378 I HA 0.398 4.568 4.170 -0.000 0.000 0.298 378 I C -0.843 175.019 176.117 -0.424 0.000 1.128 378 I CA -0.863 60.192 61.300 -0.408 0.000 1.031 378 I CB 2.824 40.767 38.000 -0.096 0.000 1.235 378 I HN 0.177 nan 8.210 nan 0.000 0.423 379 V N 3.426 122.889 119.914 -0.751 0.000 2.540 379 V HA 0.623 4.743 4.120 -0.000 0.000 0.302 379 V C -0.725 175.436 176.094 0.112 0.000 1.035 379 V CA -0.590 61.591 62.300 -0.198 0.000 0.873 379 V CB 1.841 33.627 31.823 -0.062 0.000 0.992 379 V HN 0.690 nan 8.190 nan 0.000 0.428 380 E N 2.509 122.818 120.200 0.181 0.000 2.367 380 E HA 0.574 4.924 4.350 -0.000 0.000 0.273 380 E C -0.778 175.809 176.600 -0.021 0.000 0.903 380 E CA -0.658 55.872 56.400 0.217 0.000 0.764 380 E CB 2.106 31.862 29.700 0.093 0.000 1.252 380 E HN 0.878 nan 8.360 nan 0.000 0.446 381 E N 1.409 121.363 120.200 -0.411 0.000 2.243 381 E HA 0.846 5.196 4.350 -0.000 0.000 0.260 381 E C -1.155 175.286 176.600 -0.264 0.000 0.985 381 E CA -1.408 54.717 56.400 -0.458 0.000 0.858 381 E CB 1.749 30.924 29.700 -0.874 0.000 1.210 381 E HN 0.391 nan 8.360 nan 0.000 0.411 382 A N 1.096 123.800 122.820 -0.194 0.000 2.427 382 A HA 0.475 4.795 4.320 -0.000 0.000 0.298 382 A C -0.215 177.300 177.584 -0.115 0.000 1.036 382 A CA -0.545 51.411 52.037 -0.134 0.000 0.701 382 A CB 1.365 20.303 19.000 -0.104 0.000 1.250 382 A HN 0.726 nan 8.150 nan 0.000 0.412 383 T N -0.634 113.861 114.554 -0.098 0.000 2.816 383 T HA 0.356 4.706 4.350 -0.000 0.000 0.282 383 T C 0.934 175.604 174.700 -0.050 0.000 0.993 383 T CA 0.462 62.520 62.100 -0.070 0.000 0.994 383 T CB 0.867 69.700 68.868 -0.058 0.000 1.025 383 T HN 0.609 nan 8.240 nan 0.000 0.529 384 E N -0.063 120.126 120.200 -0.018 0.000 2.118 384 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 384 E C 2.023 178.641 176.600 0.030 0.000 0.992 384 E CA 1.649 58.070 56.400 0.035 0.000 0.804 384 E CB -0.130 29.611 29.700 0.067 0.000 0.741 384 E HN 0.840 nan 8.360 nan 0.000 0.458 385 E N -0.117 120.084 120.200 0.003 0.000 2.076 385 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 385 E C 1.793 178.362 176.600 -0.052 0.000 0.979 385 E CA 0.897 57.294 56.400 -0.005 0.000 0.807 385 E CB 0.027 29.721 29.700 -0.010 0.000 0.761 385 E HN 0.323 nan 8.360 nan 0.000 0.454 386 E N 0.311 120.464 120.200 -0.078 0.000 2.106 386 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 386 E C 2.271 178.774 176.600 -0.162 0.000 0.984 386 E CA 1.235 57.560 56.400 -0.126 0.000 0.806 386 E CB -0.105 29.523 29.700 -0.119 0.000 0.750 386 E HN 0.306 nan 8.360 nan 0.000 0.458 387 L N -1.628 119.510 121.223 -0.143 0.000 2.156 387 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 387 L C 2.123 178.845 176.870 -0.246 0.000 1.095 387 L CA 1.340 56.075 54.840 -0.175 0.000 0.770 387 L CB -0.294 41.675 42.059 -0.150 0.000 0.914 387 L HN -0.000 nan 8.230 nan 0.000 0.439 388 M N 0.092 119.540 119.600 -0.254 0.000 2.236 388 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 388 M C 1.714 177.706 176.300 -0.513 0.000 1.070 388 M CA 1.235 56.273 55.300 -0.437 0.000 1.137 388 M CB -0.895 31.475 32.600 -0.383 0.000 1.378 388 M HN 0.339 nan 8.290 nan 0.000 0.426 389 D N 0.905 121.160 120.400 -0.241 0.000 2.097 389 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 389 D C 2.002 178.179 176.300 -0.205 0.000 0.984 389 D CA 1.632 55.590 54.000 -0.069 0.000 0.826 389 D CB -0.188 40.645 40.800 0.054 0.000 0.973 389 D HN 0.279 nan 8.370 nan 0.000 0.460 390 A N 0.664 123.310 122.820 -0.290 0.000 1.972 390 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 390 A C 2.144 179.582 177.584 -0.244 0.000 1.169 390 A CA 1.337 53.207 52.037 -0.279 0.000 0.635 390 A CB -0.588 18.278 19.000 -0.224 0.000 0.810 390 A HN 0.224 nan 8.150 nan 0.000 0.446 391 M N -0.522 118.892 119.600 -0.311 0.000 2.099 391 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 391 M C 2.313 178.414 176.300 -0.332 0.000 1.067 391 M CA 1.599 56.689 55.300 -0.351 0.000 1.124 391 M CB -0.249 32.105 32.600 -0.409 0.000 1.353 391 M HN 0.429 nan 8.290 nan 0.000 0.410 392 A N 0.114 122.723 122.820 -0.353 0.000 1.902 392 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 392 A C 1.881 179.369 177.584 -0.160 0.000 1.181 392 A CA 1.818 53.737 52.037 -0.198 0.000 0.623 392 A CB -0.823 18.117 19.000 -0.099 0.000 0.818 392 A HN 0.703 nan 8.150 nan 0.000 0.443 393 Q N -0.683 118.924 119.800 -0.322 0.000 2.124 393 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 393 Q C 2.400 178.342 176.000 -0.098 0.000 0.977 393 Q CA 1.326 56.879 55.803 -0.417 0.000 0.850 393 Q CB -0.374 27.885 28.738 -0.798 0.000 0.901 393 Q HN 0.700 nan 8.270 nan 0.000 0.429 394 A N 1.427 124.075 122.820 -0.288 0.000 1.873 394 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 394 A C 1.599 179.034 177.584 -0.247 0.000 1.186 394 A CA 1.674 53.363 52.037 -0.580 0.000 0.616 394 A CB -0.444 18.112 19.000 -0.741 0.000 0.823 394 A HN 0.222 nan 8.150 nan 0.000 0.442 395 D N 0.339 120.639 120.400 -0.166 0.000 2.149 395 D HA -0.098 4.542 4.640 -0.000 0.000 0.198 395 D C 2.149 178.470 176.300 0.035 0.000 0.990 395 D CA 1.613 55.588 54.000 -0.041 0.000 0.839 395 D CB -0.431 40.379 40.800 0.016 0.000 0.948 395 D HN 0.399 nan 8.370 nan 0.000 0.460 396 S N -0.464 115.273 115.700 0.062 0.000 2.469 396 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 396 S C 1.752 176.440 174.600 0.146 0.000 0.998 396 S CA 0.828 59.103 58.200 0.124 0.000 0.957 396 S CB -0.112 63.186 63.200 0.164 0.000 0.764 396 S HN 0.241 nan 8.310 nan 0.000 0.514 397 T N 1.019 115.663 114.554 0.150 0.000 3.129 397 T HA 0.365 4.715 4.350 -0.000 0.000 0.251 397 T C 1.037 175.811 174.700 0.123 0.000 1.117 397 T CA 0.603 62.807 62.100 0.173 0.000 1.034 397 T CB 0.038 69.070 68.868 0.273 0.000 0.968 397 T HN 0.579 nan 8.240 nan 0.000 0.526 398 G N 1.856 110.693 108.800 0.062 0.000 2.356 398 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.233 398 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.233 398 G C -0.265 174.577 174.900 -0.096 0.000 1.105 398 G CA -0.394 44.725 45.100 0.032 0.000 0.861 398 G HN 0.417 nan 8.290 nan 0.000 0.493 399 M N -1.253 118.288 119.600 -0.098 0.000 2.691 399 M HA 0.809 5.289 4.480 -0.000 0.000 0.293 399 M C -1.078 175.257 176.300 0.058 0.000 1.259 399 M CA -0.992 54.226 55.300 -0.137 0.000 0.827 399 M CB 2.225 34.655 32.600 -0.283 0.000 1.753 399 M HN 0.168 nan 8.290 nan 0.000 0.465 400 F N 2.879 122.712 119.950 -0.196 0.000 2.971 400 F HA 0.456 4.983 4.527 0.000 0.000 0.373 400 F C -1.193 174.455 175.800 -0.253 0.000 1.288 400 F CA -0.943 56.963 58.000 -0.157 0.000 1.204 400 F CB 0.474 39.450 39.000 -0.040 0.000 1.852 400 F HN 0.335 nan 8.300 nan 0.000 0.624 401 I N 0.818 121.162 120.570 -0.377 0.000 2.863 401 I HA 0.707 4.877 4.170 -0.000 0.000 0.311 401 I C 0.229 176.150 176.117 -0.326 0.000 1.026 401 I CA -1.190 59.893 61.300 -0.363 0.000 1.077 401 I CB 0.723 38.487 38.000 -0.392 0.000 1.262 401 I HN 0.382 nan 8.210 nan 0.000 0.461 402 C N 1.305 120.476 119.300 -0.216 0.000 2.500 402 C HA 0.556 5.016 4.460 -0.000 0.000 0.367 402 C C -1.213 173.559 174.990 -0.364 0.000 1.283 402 C CA -0.837 58.039 59.018 -0.238 0.000 2.456 402 C CB 0.504 28.179 27.740 -0.108 0.000 2.457 402 C HN 0.770 nan 8.230 nan 0.000 0.632 403 P HA -0.150 nan 4.420 nan 0.000 0.218 403 P C 1.387 178.396 177.300 -0.485 0.000 1.148 403 P CA 1.776 64.554 63.100 -0.536 0.000 0.822 403 P CB -0.321 31.013 31.700 -0.609 0.000 0.784 404 H N -1.414 117.471 119.070 -0.309 0.000 2.387 404 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 404 H C 1.590 176.816 175.328 -0.169 0.000 1.090 404 H CA 1.682 57.607 56.048 -0.205 0.000 1.332 404 H CB -1.375 28.281 29.762 -0.176 0.000 1.386 404 H HN 0.155 nan 8.280 nan 0.000 0.516 405 T N 0.305 114.809 114.554 -0.083 0.000 2.821 405 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 405 T C 2.423 177.036 174.700 -0.145 0.000 1.046 405 T CA 0.948 62.975 62.100 -0.123 0.000 1.139 405 T CB -0.584 68.177 68.868 -0.179 0.000 0.871 405 T HN 0.551 nan 8.240 nan 0.000 0.454 406 G N 1.393 110.076 108.800 -0.195 0.000 2.440 406 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 406 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 406 G C 1.681 176.503 174.900 -0.129 0.000 1.154 406 G CA 0.892 45.877 45.100 -0.191 0.000 0.767 406 G HN 0.433 nan 8.290 nan 0.000 0.552 407 V N 1.551 121.391 119.914 -0.122 0.000 2.287 407 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 407 V C 3.330 179.398 176.094 -0.045 0.000 1.053 407 V CA 2.130 64.380 62.300 -0.083 0.000 1.027 407 V CB -0.923 30.858 31.823 -0.070 0.000 0.646 407 V HN 0.490 nan 8.190 nan 0.000 0.447 408 A N -0.382 122.415 122.820 -0.039 0.000 1.902 408 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 408 A C 2.189 179.789 177.584 0.027 0.000 1.181 408 A CA 1.734 53.761 52.037 -0.017 0.000 0.623 408 A CB -0.500 18.478 19.000 -0.037 0.000 0.818 408 A HN 0.519 nan 8.150 nan 0.000 0.443 409 L N -0.789 120.462 121.223 0.047 0.000 2.156 409 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 409 L C 2.681 179.743 176.870 0.320 0.000 1.095 409 L CA 1.482 56.434 54.840 0.187 0.000 0.770 409 L CB -0.746 41.428 42.059 0.191 0.000 0.914 409 L HN 0.318 nan 8.230 nan 0.000 0.439 410 T N 0.053 114.692 114.554 0.142 0.000 2.746 410 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 410 T C 2.072 176.843 174.700 0.117 0.000 1.039 410 T CA 1.346 63.499 62.100 0.088 0.000 1.142 410 T CB -0.245 68.594 68.868 -0.048 0.000 0.866 410 T HN 0.445 nan 8.240 nan 0.000 0.444 411 A N 1.356 124.212 122.820 0.060 0.000 1.902 411 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 411 A C 2.244 179.843 177.584 0.024 0.000 1.181 411 A CA 1.338 53.392 52.037 0.028 0.000 0.623 411 A CB -0.805 18.197 19.000 0.003 0.000 0.818 411 A HN 0.407 nan 8.150 nan 0.000 0.443 412 L N -1.547 119.703 121.223 0.046 0.000 2.046 412 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 412 L C 2.164 179.014 176.870 -0.034 0.000 1.077 412 L CA 1.770 56.598 54.840 -0.021 0.000 0.747 412 L CB -0.850 41.212 42.059 0.005 0.000 0.896 412 L HN 0.358 nan 8.230 nan 0.000 0.432 413 F N 0.340 120.269 119.950 -0.034 0.000 2.095 413 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 413 F C 2.449 178.221 175.800 -0.046 0.000 1.104 413 F CA 2.034 60.010 58.000 -0.040 0.000 1.232 413 F CB -0.311 38.671 39.000 -0.030 0.000 0.987 413 F HN 0.052 nan 8.300 nan 0.000 0.475 414 K N -0.146 120.344 120.400 0.149 0.000 2.103 414 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 414 K C 1.948 178.551 176.600 0.006 0.000 1.052 414 K CA 1.013 57.342 56.287 0.069 0.000 0.945 414 K CB -0.301 32.230 32.500 0.052 0.000 0.722 414 K HN 0.285 nan 8.250 nan 0.000 0.443 415 L N 0.639 121.833 121.223 -0.048 0.000 2.291 415 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 415 L C 2.360 179.144 176.870 -0.142 0.000 1.120 415 L CA 0.541 55.305 54.840 -0.126 0.000 0.799 415 L CB -0.148 41.765 42.059 -0.244 0.000 0.925 415 L HN 0.080 nan 8.230 nan 0.000 0.446 416 R N 0.129 120.555 120.500 -0.122 0.000 2.075 416 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 416 R C 1.907 178.172 176.300 -0.058 0.000 1.126 416 R CA 1.203 57.236 56.100 -0.111 0.000 0.963 416 R CB -0.939 29.276 30.300 -0.142 0.000 0.858 416 R HN 0.358 nan 8.270 nan 0.000 0.435 417 N N 1.244 119.931 118.700 -0.022 0.000 2.104 417 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 417 N C 1.579 177.086 175.510 -0.005 0.000 1.024 417 N CA 1.317 54.369 53.050 0.003 0.000 0.853 417 N CB -0.108 38.398 38.487 0.032 0.000 1.008 417 N HN 0.307 nan 8.380 nan 0.000 0.424 418 Q N -1.237 118.554 119.800 -0.014 0.000 2.451 418 Q HA 0.219 4.559 4.340 -0.000 0.000 0.206 418 Q C 0.921 176.910 176.000 -0.018 0.000 0.947 418 Q CA 0.515 56.312 55.803 -0.010 0.000 0.937 418 Q CB 0.451 29.186 28.738 -0.006 0.000 1.025 418 Q HN 0.426 nan 8.270 nan 0.000 0.511 419 G N -0.167 108.612 108.800 -0.034 0.000 2.148 419 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 419 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 419 G C 0.777 175.656 174.900 -0.034 0.000 0.981 419 G CA 0.417 45.499 45.100 -0.029 0.000 0.670 419 G HN 0.279 nan 8.290 nan 0.000 0.528 420 V N 0.061 119.930 119.914 -0.076 0.000 2.379 420 V HA 0.177 4.297 4.120 -0.000 0.000 0.245 420 V C 1.698 177.676 176.094 -0.194 0.000 1.044 420 V CA 1.648 63.891 62.300 -0.095 0.000 1.036 420 V CB -0.100 31.637 31.823 -0.143 0.000 0.664 420 V HN 0.473 nan 8.190 nan 0.000 0.453 421 I N 1.022 121.382 120.570 -0.348 0.000 2.315 421 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 421 I C 0.469 176.513 176.117 -0.122 0.000 1.006 421 I CA -0.309 60.752 61.300 -0.399 0.000 1.265 421 I CB 1.148 38.772 38.000 -0.627 0.000 1.387 421 I HN 0.148 nan 8.210 nan 0.000 0.475 422 A N 9.434 132.265 122.820 0.019 0.000 2.407 422 A HA 0.378 4.698 4.320 -0.000 0.000 0.248 422 A C -1.363 176.234 177.584 0.022 0.000 1.082 422 A CA -1.152 50.908 52.037 0.038 0.000 0.785 422 A CB -0.151 18.901 19.000 0.087 0.000 1.020 422 A HN 0.600 nan 8.150 nan 0.000 0.489 423 P HA -0.128 nan 4.420 nan 0.000 0.221 423 P C 1.132 178.453 177.300 0.036 0.000 1.145 423 P CA 1.841 64.942 63.100 0.001 0.000 0.795 423 P CB 0.145 31.840 31.700 -0.009 0.000 0.775 424 T N -1.821 112.766 114.554 0.055 0.000 3.044 424 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 424 T C 0.303 175.064 174.700 0.100 0.000 1.081 424 T CA -0.142 62.001 62.100 0.072 0.000 1.040 424 T CB -0.579 68.323 68.868 0.056 0.000 0.962 424 T HN -0.099 nan 8.240 nan 0.000 0.506 425 D N 2.381 122.857 120.400 0.127 0.000 2.389 425 D HA 0.119 4.759 4.640 -0.000 0.000 0.247 425 D C 0.283 176.701 176.300 0.196 0.000 1.128 425 D CA -0.007 54.099 54.000 0.178 0.000 0.884 425 D CB 0.567 41.559 40.800 0.319 0.000 1.194 425 D HN 0.261 nan 8.370 nan 0.000 0.441 426 R N 1.618 122.198 120.500 0.132 0.000 2.402 426 R HA 0.135 4.475 4.340 -0.000 0.000 0.331 426 R C -0.763 175.651 176.300 0.189 0.000 1.040 426 R CA 0.306 56.476 56.100 0.116 0.000 0.980 426 R CB -0.084 30.129 30.300 -0.144 0.000 0.967 426 R HN 0.237 nan 8.270 nan 0.000 0.440 427 T N 4.029 118.779 114.554 0.327 0.000 2.812 427 T HA 0.334 4.684 4.350 -0.000 0.000 0.282 427 T C -0.954 173.987 174.700 0.401 0.000 0.990 427 T CA -0.572 61.731 62.100 0.339 0.000 0.960 427 T CB 1.779 70.810 68.868 0.271 0.000 0.948 427 T HN 0.254 nan 8.240 nan 0.000 0.438 428 V N 3.920 124.035 119.914 0.335 0.000 2.409 428 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 428 V C -0.146 176.085 176.094 0.227 0.000 1.020 428 V CA -0.769 61.740 62.300 0.348 0.000 0.848 428 V CB 1.732 33.764 31.823 0.348 0.000 0.990 428 V HN 0.693 nan 8.190 nan 0.000 0.430 429 V N 5.730 125.772 119.914 0.213 0.000 2.427 429 V HA 0.373 4.493 4.120 -0.000 0.000 0.286 429 V C 0.015 176.148 176.094 0.065 0.000 1.034 429 V CA -0.562 61.801 62.300 0.104 0.000 0.893 429 V CB 2.009 33.887 31.823 0.093 0.000 0.982 429 V HN 0.624 nan 8.190 nan 0.000 0.452 430 V N 4.331 124.223 119.914 -0.038 0.000 2.368 430 V HA 0.243 4.363 4.120 -0.000 0.000 0.266 430 V C 0.600 176.647 176.094 -0.079 0.000 1.045 430 V CA -0.016 62.244 62.300 -0.067 0.000 0.899 430 V CB 1.401 33.076 31.823 -0.247 0.000 1.006 430 V HN 0.876 nan 8.190 nan 0.000 0.470 431 S N 3.549 119.214 115.700 -0.058 0.000 2.416 431 S HA 0.173 4.643 4.470 -0.000 0.000 0.287 431 S C 1.427 176.016 174.600 -0.018 0.000 1.139 431 S CA -0.055 58.083 58.200 -0.103 0.000 1.058 431 S CB 0.809 63.852 63.200 -0.261 0.000 0.967 431 S HN 0.976 nan 8.310 nan 0.000 0.495 432 T N 2.680 117.243 114.554 0.016 0.000 2.985 432 T HA 0.416 4.766 4.350 -0.000 0.000 0.266 432 T C 0.585 175.460 174.700 0.292 0.000 1.076 432 T CA 0.427 62.628 62.100 0.169 0.000 1.135 432 T CB -0.031 68.915 68.868 0.130 0.000 0.890 432 T HN 0.767 nan 8.240 nan 0.000 0.480 433 A N 0.302 123.239 122.820 0.195 0.000 2.549 433 A HA 0.558 4.878 4.320 -0.000 0.000 0.297 433 A C -0.884 176.838 177.584 0.230 0.000 1.061 433 A CA -0.847 51.359 52.037 0.281 0.000 0.690 433 A CB 0.836 20.116 19.000 0.468 0.000 1.287 433 A HN 0.365 nan 8.150 nan 0.000 0.402 434 H N 0.719 119.905 119.070 0.194 0.000 2.790 434 H HA 0.195 4.751 4.556 -0.000 0.000 0.358 434 H C 1.618 177.068 175.328 0.204 0.000 1.103 434 H CA 1.486 57.639 56.048 0.175 0.000 1.426 434 H CB 1.505 31.379 29.762 0.187 0.000 1.424 434 H HN 0.803 nan 8.280 nan 0.000 0.599 435 G N 4.169 113.137 108.800 0.280 0.000 2.470 435 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 435 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 435 G C 1.853 176.922 174.900 0.281 0.000 1.121 435 G CA 0.197 45.269 45.100 -0.046 0.000 0.766 435 G HN 0.636 nan 8.290 nan 0.000 0.553 436 L N -0.656 120.975 121.223 0.680 0.000 2.349 436 L HA -0.026 4.314 4.340 -0.000 0.000 0.220 436 L C 2.603 179.555 176.870 0.136 0.000 1.130 436 L CA 0.967 56.041 54.840 0.390 0.000 0.791 436 L CB -0.064 42.039 42.059 0.074 0.000 0.918 436 L HN 0.177 nan 8.230 nan 0.000 0.444 437 K N -0.945 119.499 120.400 0.072 0.000 2.393 437 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 437 K C -0.204 176.023 176.600 -0.621 0.000 1.026 437 K CA 0.305 56.429 56.287 -0.271 0.000 1.064 437 K CB 0.431 32.718 32.500 -0.354 0.000 0.833 437 K HN 0.079 nan 8.250 nan 0.000 0.521 438 F N -0.064 119.926 119.950 0.066 0.000 2.566 438 F HA 0.097 4.624 4.527 -0.000 0.000 0.347 438 F C 1.165 176.960 175.800 -0.009 0.000 1.515 438 F CA -0.629 57.386 58.000 0.026 0.000 1.103 438 F CB 0.429 39.425 39.000 -0.006 0.000 1.385 438 F HN -0.082 nan 8.300 nan 0.000 0.560 439 T N -3.452 111.184 114.554 0.138 0.000 2.857 439 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 439 T C 1.864 176.637 174.700 0.122 0.000 1.048 439 T CA 0.924 63.113 62.100 0.148 0.000 1.139 439 T CB 0.042 69.011 68.868 0.169 0.000 0.874 439 T HN 0.194 nan 8.240 nan 0.000 0.455 440 Q N 1.757 121.628 119.800 0.118 0.000 2.096 440 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 440 Q C 2.855 178.917 176.000 0.104 0.000 0.982 440 Q CA 2.043 57.916 55.803 0.118 0.000 0.850 440 Q CB -0.661 28.154 28.738 0.129 0.000 0.901 440 Q HN 0.827 nan 8.270 nan 0.000 0.422 441 S N 0.007 115.759 115.700 0.087 0.000 2.423 441 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 441 S C 1.720 176.206 174.600 -0.191 0.000 1.014 441 S CA 0.919 59.045 58.200 -0.123 0.000 0.965 441 S CB -0.027 63.080 63.200 -0.155 0.000 0.785 441 S HN 0.272 nan 8.310 nan 0.000 0.495 442 K N 0.765 121.134 120.400 -0.052 0.000 2.137 442 K HA 0.292 4.612 4.320 -0.000 0.000 0.202 442 K C 1.984 178.697 176.600 0.188 0.000 1.052 442 K CA 0.980 57.288 56.287 0.035 0.000 0.961 442 K CB -0.283 32.261 32.500 0.073 0.000 0.741 442 K HN 0.353 nan 8.250 nan 0.000 0.452 443 I N 1.711 122.370 120.570 0.149 0.000 2.226 443 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 443 I C 1.440 177.625 176.117 0.114 0.000 1.100 443 I CA 1.269 62.659 61.300 0.149 0.000 1.374 443 I CB -0.234 37.834 38.000 0.113 0.000 1.057 443 I HN 0.098 nan 8.210 nan 0.000 0.413 444 D N -0.159 120.285 120.400 0.072 0.000 2.144 444 D HA -0.210 4.430 4.640 -0.000 0.000 0.200 444 D C 1.918 178.219 176.300 0.001 0.000 0.978 444 D CA 1.211 55.238 54.000 0.044 0.000 0.833 444 D CB -0.338 40.499 40.800 0.062 0.000 0.961 444 D HN 0.372 nan 8.370 nan 0.000 0.470 445 Y N 0.886 121.076 120.300 -0.183 0.000 2.163 445 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 445 Y C 2.294 178.040 175.900 -0.258 0.000 1.136 445 Y CA 1.678 59.603 58.100 -0.292 0.000 1.147 445 Y CB -0.022 38.160 38.460 -0.463 0.000 0.987 445 Y HN 0.124 nan 8.280 nan 0.000 0.509 446 H N -1.708 117.411 119.070 0.082 0.000 2.529 446 H HA 0.065 4.621 4.556 0.000 0.000 0.277 446 H C 1.946 177.256 175.328 -0.029 0.000 0.999 446 H CA 1.143 57.206 56.048 0.025 0.000 1.256 446 H CB 0.068 29.890 29.762 0.102 0.000 1.402 446 H HN 0.274 nan 8.280 nan 0.000 0.566 447 S N 0.629 116.369 115.700 0.066 0.000 2.593 447 S HA -0.035 4.435 4.470 -0.000 0.000 0.217 447 S C 0.314 174.895 174.600 -0.033 0.000 0.966 447 S CA -0.113 58.102 58.200 0.024 0.000 0.914 447 S CB -0.083 63.139 63.200 0.037 0.000 0.776 447 S HN 0.501 nan 8.310 nan 0.000 0.523 448 N N 0.718 119.357 118.700 -0.102 0.000 2.725 448 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 448 N C 0.051 175.513 175.510 -0.081 0.000 1.031 448 N CA 0.739 53.705 53.050 -0.141 0.000 0.720 448 N CB -1.115 37.299 38.487 -0.123 0.000 0.930 448 N HN 0.471 nan 8.380 nan 0.000 0.543 449 A N -0.442 122.346 122.820 -0.053 0.000 2.594 449 A HA 0.441 4.761 4.320 -0.000 0.000 0.287 449 A C 0.249 177.846 177.584 0.022 0.000 1.227 449 A CA -0.337 51.696 52.037 -0.008 0.000 0.952 449 A CB 0.368 19.376 19.000 0.013 0.000 1.161 449 A HN 0.331 nan 8.150 nan 0.000 0.524 450 I N 1.605 122.182 120.570 0.011 0.000 2.330 450 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 450 I C -2.508 173.634 176.117 0.042 0.000 1.001 450 I CA -2.230 59.116 61.300 0.076 0.000 1.193 450 I CB 1.641 39.715 38.000 0.122 0.000 1.345 450 I HN 0.020 nan 8.210 nan 0.000 0.461 451 P HA 0.090 nan 4.420 nan 0.000 0.268 451 P C -0.223 177.090 177.300 0.022 0.000 1.205 451 P CA 0.156 63.269 63.100 0.022 0.000 0.771 451 P CB 0.364 32.075 31.700 0.019 0.000 0.858 452 D N -1.384 119.017 120.400 0.002 0.000 3.059 452 D HA -0.205 4.435 4.640 -0.000 0.000 0.213 452 D C 0.118 176.418 176.300 -0.001 0.000 1.144 452 D CA 1.064 55.063 54.000 -0.002 0.000 0.975 452 D CB -1.007 39.794 40.800 0.002 0.000 1.125 452 D HN 0.341 nan 8.370 nan 0.000 0.412 453 M N -0.058 119.542 119.600 -0.000 0.000 2.238 453 M HA 0.526 5.006 4.480 -0.000 0.000 0.350 453 M C 0.940 177.202 176.300 -0.064 0.000 1.138 453 M CA 0.050 55.346 55.300 -0.007 0.000 1.040 453 M CB 1.743 34.360 32.600 0.028 0.000 1.639 453 M HN -0.074 nan 8.290 nan 0.000 0.451 454 A N 2.527 125.304 122.820 -0.073 0.000 1.929 454 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 454 A C 1.011 178.477 177.584 -0.196 0.000 1.176 454 A CA 0.965 52.933 52.037 -0.115 0.000 0.628 454 A CB -0.999 17.939 19.000 -0.104 0.000 0.816 454 A HN 1.037 nan 8.150 nan 0.000 0.444 455 C N -0.256 118.890 119.300 -0.256 0.000 3.727 455 C HA -0.165 4.295 4.460 -0.000 0.000 0.293 455 C C 1.815 176.553 174.990 -0.421 0.000 1.339 455 C CA 0.841 59.501 59.018 -0.597 0.000 2.150 455 C CB -2.787 24.494 27.740 -0.766 0.000 1.383 455 C HN 0.803 nan 8.230 nan 0.000 0.614 456 R N -0.507 119.816 120.500 -0.294 0.000 2.189 456 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 456 R C 1.049 177.071 176.300 -0.465 0.000 1.074 456 R CA 1.601 57.448 56.100 -0.421 0.000 0.991 456 R CB -0.249 29.699 30.300 -0.588 0.000 0.883 456 R HN 0.569 nan 8.270 nan 0.000 0.457 457 F N 2.302 122.297 119.950 0.074 0.000 2.708 457 F HA 0.234 4.761 4.527 -0.000 0.000 0.300 457 F C 0.340 176.267 175.800 0.210 0.000 1.118 457 F CA -0.972 57.120 58.000 0.153 0.000 1.307 457 F CB 0.640 39.740 39.000 0.167 0.000 0.986 457 F HN -0.008 nan 8.300 nan 0.000 0.522 458 S N -0.159 115.618 115.700 0.128 0.000 2.562 458 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 458 S C 0.014 174.785 174.600 0.284 0.000 1.333 458 S CA -0.521 57.758 58.200 0.132 0.000 1.052 458 S CB 0.981 64.064 63.200 -0.195 0.000 0.884 458 S HN 0.360 nan 8.310 nan 0.000 0.506 459 N N 2.831 121.813 118.700 0.469 0.000 2.813 459 N HA 0.386 5.126 4.740 -0.000 0.000 0.282 459 N C -2.680 172.876 175.510 0.077 0.000 1.748 459 N CA -1.711 51.453 53.050 0.190 0.000 0.860 459 N CB 0.574 39.130 38.487 0.115 0.000 1.204 459 N HN 0.530 nan 8.380 nan 0.000 0.490 460 P HA 0.366 nan 4.420 nan 0.000 0.276 460 P C -2.526 174.770 177.300 -0.006 0.000 1.244 460 P CA -0.950 62.170 63.100 0.033 0.000 0.801 460 P CB 0.039 31.756 31.700 0.028 0.000 1.006 461 P HA 0.091 nan 4.420 nan 0.000 0.269 461 P C -0.596 176.687 177.300 -0.028 0.000 1.209 461 P CA 0.014 63.095 63.100 -0.031 0.000 0.776 461 P CB 0.403 32.088 31.700 -0.025 0.000 0.876 462 V N 2.675 122.565 119.914 -0.040 0.000 2.481 462 V HA 0.196 4.316 4.120 -0.000 0.000 0.286 462 V C 0.496 176.573 176.094 -0.027 0.000 1.042 462 V CA -0.457 61.823 62.300 -0.034 0.000 0.928 462 V CB 1.325 33.121 31.823 -0.045 0.000 0.986 462 V HN 0.521 nan 8.190 nan 0.000 0.462 463 D N 2.347 122.735 120.400 -0.019 0.000 2.256 463 D HA 0.555 5.195 4.640 -0.000 0.000 0.250 463 D C -0.770 175.521 176.300 -0.015 0.000 1.093 463 D CA 0.221 54.212 54.000 -0.015 0.000 0.882 463 D CB 2.239 43.032 40.800 -0.011 0.000 1.185 463 D HN 0.360 nan 8.370 nan 0.000 0.437 464 V N 2.935 122.842 119.914 -0.012 0.000 2.924 464 V HA 0.187 4.307 4.120 -0.000 0.000 0.300 464 V C -0.874 175.218 176.094 -0.004 0.000 1.227 464 V CA -0.917 61.376 62.300 -0.010 0.000 0.954 464 V CB 2.241 34.054 31.823 -0.016 0.000 1.055 464 V HN 0.525 nan 8.190 nan 0.000 0.429 465 K N 5.025 125.425 120.400 -0.001 0.000 2.138 465 K HA 0.561 4.881 4.320 -0.000 0.000 0.251 465 K C 0.144 176.751 176.600 0.012 0.000 1.015 465 K CA 0.272 56.562 56.287 0.006 0.000 0.917 465 K CB 1.361 33.865 32.500 0.007 0.000 1.021 465 K HN 1.144 nan 8.250 nan 0.000 0.485 466 A N 2.261 125.092 122.820 0.018 0.000 2.897 466 A HA 0.070 4.390 4.320 -0.000 0.000 0.287 466 A C -0.738 176.873 177.584 0.044 0.000 1.748 466 A CA 0.022 52.077 52.037 0.030 0.000 1.397 466 A CB -1.098 17.919 19.000 0.027 0.000 1.049 466 A HN 0.718 nan 8.150 nan 0.000 0.592 467 D N 0.824 121.254 120.400 0.051 0.000 2.855 467 D HA 0.345 4.985 4.640 -0.000 0.000 0.241 467 D C 0.404 176.761 176.300 0.096 0.000 1.277 467 D CA -0.606 53.438 54.000 0.074 0.000 0.918 467 D CB 0.570 41.396 40.800 0.043 0.000 1.462 467 D HN 0.170 nan 8.370 nan 0.000 0.559 468 F N 3.483 123.436 119.950 0.004 0.000 2.120 468 F HA 0.021 4.548 4.527 0.000 0.000 0.300 468 F C 1.789 177.594 175.800 0.007 0.000 1.095 468 F CA 2.399 60.402 58.000 0.006 0.000 1.249 468 F CB -0.229 38.774 39.000 0.005 0.000 0.995 468 F HN 0.467 nan 8.300 nan 0.000 0.480 469 G N -0.491 108.210 108.800 -0.165 0.000 2.402 469 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 469 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 469 G C 1.793 176.576 174.900 -0.194 0.000 1.162 469 G CA 0.691 45.637 45.100 -0.256 0.000 0.777 469 G HN 0.631 nan 8.290 nan 0.000 0.539 470 A N 0.086 122.845 122.820 -0.101 0.000 1.930 470 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 470 A C 2.560 180.094 177.584 -0.084 0.000 1.175 470 A CA 1.650 53.645 52.037 -0.070 0.000 0.627 470 A CB -0.459 18.522 19.000 -0.031 0.000 0.815 470 A HN 0.230 nan 8.150 nan 0.000 0.443 471 V N -0.216 119.639 119.914 -0.098 0.000 2.379 471 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 471 V C 2.647 178.668 176.094 -0.121 0.000 1.044 471 V CA 1.779 64.029 62.300 -0.083 0.000 1.036 471 V CB -0.600 31.197 31.823 -0.045 0.000 0.664 471 V HN 0.488 nan 8.190 nan 0.000 0.453 472 M N -0.342 119.115 119.600 -0.239 0.000 2.117 472 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 472 M C 2.139 178.354 176.300 -0.142 0.000 1.065 472 M CA 1.754 56.904 55.300 -0.249 0.000 1.114 472 M CB -1.147 31.156 32.600 -0.495 0.000 1.361 472 M HN 0.446 nan 8.290 nan 0.000 0.408 473 D N 0.253 120.574 120.400 -0.133 0.000 2.144 473 D HA -0.104 4.535 4.640 -0.000 0.000 0.200 473 D C 1.802 178.082 176.300 -0.034 0.000 0.978 473 D CA 1.512 55.467 54.000 -0.075 0.000 0.833 473 D CB 0.409 41.168 40.800 -0.068 0.000 0.961 473 D HN 0.308 nan 8.370 nan 0.000 0.470 474 V N -0.941 118.954 119.914 -0.031 0.000 2.871 474 V HA -0.054 4.066 4.120 -0.000 0.000 0.256 474 V C 2.482 178.595 176.094 0.032 0.000 1.082 474 V CA 0.695 62.994 62.300 -0.003 0.000 1.105 474 V CB -0.619 31.194 31.823 -0.017 0.000 0.713 474 V HN 0.094 nan 8.190 nan 0.000 0.473 475 L N -0.241 120.995 121.223 0.022 0.000 2.162 475 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 475 L C 2.748 179.675 176.870 0.097 0.000 1.086 475 L CA 1.626 56.513 54.840 0.078 0.000 0.778 475 L CB -0.446 41.637 42.059 0.040 0.000 0.928 475 L HN 0.258 nan 8.230 nan 0.000 0.446 476 K N -0.250 120.170 120.400 0.033 0.000 2.148 476 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 476 K C 2.120 178.735 176.600 0.025 0.000 1.050 476 K CA 1.151 57.448 56.287 0.016 0.000 0.942 476 K CB 0.162 32.654 32.500 -0.013 0.000 0.724 476 K HN 0.141 nan 8.250 nan 0.000 0.446 477 S N -0.099 115.627 115.700 0.043 0.000 2.406 477 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 477 S C 1.428 176.082 174.600 0.091 0.000 1.020 477 S CA 0.774 59.005 58.200 0.050 0.000 0.965 477 S CB -0.261 62.967 63.200 0.047 0.000 0.798 477 S HN 0.440 nan 8.310 nan 0.000 0.488 478 Y N 2.108 122.404 120.300 -0.007 0.000 2.420 478 Y HA 0.214 4.764 4.550 -0.000 0.000 0.292 478 Y C 1.826 177.726 175.900 0.000 0.000 1.119 478 Y CA 0.300 58.401 58.100 0.001 0.000 1.229 478 Y CB -0.287 38.175 38.460 0.002 0.000 1.026 478 Y HN 0.228 nan 8.280 nan 0.000 0.554 479 L N -0.296 120.883 121.223 -0.074 0.000 2.079 479 L HA 0.166 4.506 4.340 -0.000 0.000 0.210 479 L C 0.939 177.713 176.870 -0.159 0.000 1.081 479 L CA 1.675 56.433 54.840 -0.136 0.000 0.752 479 L CB -0.542 41.496 42.059 -0.036 0.000 0.896 479 L HN 0.311 nan 8.230 nan 0.000 0.433 480 G N 0.000 108.734 108.800 -0.111 0.000 5.446 480 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 480 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 480 G CA 0.000 nan 45.100 nan 0.000 0.502 480 G HN 0.000 nan 8.290 nan 0.000 0.925