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 1b4z_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL cTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWcADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.620 177.584 0.060 0.000 1.274 1 A CA 0.000 52.116 52.037 0.131 0.000 0.836 1 A CB 0.000 19.126 19.000 0.210 0.000 0.831 2 D N 1.863 122.302 120.400 0.065 0.000 2.462 2 D HA 0.402 5.082 4.640 0.067 0.000 0.249 2 D C -0.412 175.832 176.300 -0.093 0.000 1.117 2 D CA 0.028 54.029 54.000 0.002 0.000 0.900 2 D CB 1.590 42.415 40.800 0.041 0.000 1.039 2 D HN 0.271 nan 8.370 nan 0.000 0.516 3 V N 4.087 123.859 119.914 -0.237 0.000 2.439 3 V HA 0.135 4.296 4.120 0.067 0.000 0.271 3 V C -1.660 174.292 176.094 -0.236 0.000 1.040 3 V CA -1.165 60.845 62.300 -0.484 0.000 1.002 3 V CB 0.197 31.712 31.823 -0.512 0.000 1.000 3 V HN 0.304 nan 8.190 nan 0.000 0.477 4 P HA 0.153 nan 4.420 nan 0.000 0.266 4 P C -0.032 177.238 177.300 -0.049 0.000 1.193 4 P CA -0.057 63.013 63.100 -0.051 0.000 0.770 4 P CB 0.400 32.109 31.700 0.015 0.000 0.836 5 A N 2.384 125.191 122.820 -0.022 0.000 2.567 5 A HA 0.384 4.745 4.320 0.067 0.000 0.240 5 A C 1.614 179.195 177.584 -0.006 0.000 1.053 5 A CA 0.748 52.776 52.037 -0.015 0.000 0.755 5 A CB -1.278 17.720 19.000 -0.004 0.000 0.978 5 A HN 0.953 nan 8.150 nan 0.000 0.507 6 G N 0.575 109.371 108.800 -0.007 0.000 2.225 6 G HA2 -0.118 3.882 3.960 0.067 0.000 0.254 6 G HA3 -0.118 3.882 3.960 0.067 0.000 0.254 6 G C 0.711 175.620 174.900 0.015 0.000 0.988 6 G CA 0.697 45.800 45.100 0.006 0.000 0.625 6 G HN 2.389 nan 8.290 nan 0.000 0.527 7 V N 0.418 120.338 119.914 0.010 0.000 2.686 7 V HA 0.624 4.785 4.120 0.067 0.000 0.295 7 V C 0.312 176.425 176.094 0.032 0.000 1.055 7 V CA -0.187 62.138 62.300 0.041 0.000 1.050 7 V CB 1.237 33.107 31.823 0.078 0.000 0.984 7 V HN 0.408 nan 8.190 nan 0.000 0.482 8 Q N 5.408 125.242 119.800 0.057 0.000 2.296 8 Q HA 0.506 4.887 4.340 0.067 0.000 0.257 8 Q C -0.736 175.308 176.000 0.073 0.000 0.942 8 Q CA -0.330 55.502 55.803 0.047 0.000 0.939 8 Q CB 1.771 30.535 28.738 0.043 0.000 1.198 8 Q HN 0.761 nan 8.270 nan 0.000 0.429 9 L N 1.741 122.997 121.223 0.054 0.000 2.375 9 L HA 0.444 4.825 4.340 0.067 0.000 0.271 9 L C 0.459 177.367 176.870 0.063 0.000 1.107 9 L CA -0.668 54.223 54.840 0.085 0.000 0.806 9 L CB 0.861 42.958 42.059 0.063 0.000 1.146 9 L HN 0.659 nan 8.230 nan 0.000 0.447 10 A N 1.397 124.266 122.820 0.082 0.000 2.425 10 A HA 0.038 4.399 4.320 0.067 0.000 0.242 10 A C 0.650 178.236 177.584 0.004 0.000 1.077 10 A CA -0.286 51.763 52.037 0.020 0.000 0.781 10 A CB 0.162 19.171 19.000 0.015 0.000 1.020 10 A HN 0.849 nan 8.150 nan 0.000 0.494 11 D N -0.043 120.337 120.400 -0.034 0.000 2.117 11 D HA -0.040 4.640 4.640 0.067 0.000 0.198 11 D C 0.680 176.969 176.300 -0.018 0.000 0.982 11 D CA 1.548 55.531 54.000 -0.028 0.000 0.828 11 D CB 0.095 40.867 40.800 -0.047 0.000 0.967 11 D HN 0.569 nan 8.370 nan 0.000 0.464 12 K N 1.084 121.465 120.400 -0.031 0.000 2.263 12 K HA 0.132 4.492 4.320 0.067 0.000 0.272 12 K C -0.583 176.025 176.600 0.012 0.000 1.033 12 K CA -0.355 55.922 56.287 -0.017 0.000 0.884 12 K CB 0.699 33.174 32.500 -0.042 0.000 1.107 12 K HN -0.249 nan 8.250 nan 0.000 0.460 13 Q N 3.352 123.173 119.800 0.034 0.000 2.901 13 Q HA 0.126 4.507 4.340 0.067 0.000 0.265 13 Q C -0.746 175.287 176.000 0.056 0.000 1.263 13 Q CA -0.162 55.679 55.803 0.064 0.000 1.088 13 Q CB 1.034 29.821 28.738 0.081 0.000 1.339 13 Q HN 0.772 nan 8.270 nan 0.000 0.546 14 T N -1.713 112.865 114.554 0.039 0.000 2.907 14 T HA 0.790 5.180 4.350 0.067 0.000 0.292 14 T C -0.634 174.070 174.700 0.008 0.000 1.043 14 T CA -0.886 61.223 62.100 0.015 0.000 1.003 14 T CB 1.937 70.805 68.868 0.000 0.000 1.084 14 T HN 0.223 nan 8.240 nan 0.000 0.483 15 L N 1.562 122.759 121.223 -0.044 0.000 2.422 15 L HA 0.807 5.187 4.340 0.067 0.000 0.264 15 L C -1.603 175.182 176.870 -0.141 0.000 0.984 15 L CA -0.700 54.094 54.840 -0.077 0.000 0.819 15 L CB 2.405 44.389 42.059 -0.126 0.000 1.330 15 L HN 0.718 nan 8.230 nan 0.000 0.410 16 V N 4.764 124.603 119.914 -0.124 0.000 2.483 16 V HA 0.618 4.778 4.120 0.067 0.000 0.297 16 V C -0.357 175.625 176.094 -0.186 0.000 1.027 16 V CA -0.560 61.647 62.300 -0.155 0.000 0.855 16 V CB 1.688 33.466 31.823 -0.075 0.000 0.995 16 V HN 0.704 nan 8.190 nan 0.000 0.424 17 R N 2.869 123.186 120.500 -0.306 0.000 2.562 17 R HA 0.469 4.849 4.340 0.067 0.000 0.298 17 R C -0.571 175.645 176.300 -0.140 0.000 0.961 17 R CA -0.840 55.102 56.100 -0.265 0.000 0.881 17 R CB 1.914 31.929 30.300 -0.474 0.000 1.159 17 R HN 0.692 nan 8.270 nan 0.000 0.450 18 N N 0.623 119.302 118.700 -0.036 0.000 2.515 18 N HA 0.038 4.819 4.740 0.067 0.000 0.279 18 N C -0.115 175.435 175.510 0.065 0.000 1.164 18 N CA -0.078 52.976 53.050 0.006 0.000 0.982 18 N CB 0.869 39.370 38.487 0.025 0.000 1.170 18 N HN 0.484 nan 8.380 nan 0.000 0.474 19 N N 0.763 119.443 118.700 -0.032 0.000 2.241 19 N HA 0.226 5.007 4.740 0.067 0.000 0.238 19 N C 0.642 175.758 175.510 -0.657 0.000 1.244 19 N CA 0.545 53.528 53.050 -0.111 0.000 0.880 19 N CB 0.134 38.625 38.487 0.007 0.000 1.179 19 N HN 0.758 nan 8.380 nan 0.000 0.513 20 G N -0.113 108.192 108.800 -0.825 0.000 2.480 20 G HA2 -0.318 3.683 3.960 0.067 0.000 0.246 20 G HA3 -0.318 3.683 3.960 0.067 0.000 0.246 20 G C 0.148 174.670 174.900 -0.630 0.000 1.073 20 G CA 0.935 45.386 45.100 -1.081 0.000 0.643 20 G HN 1.106 nan 8.290 nan 0.000 0.525 21 S N -1.362 114.040 115.700 -0.496 0.000 2.643 21 S HA 0.547 5.058 4.470 0.067 0.000 0.266 21 S C -1.005 173.509 174.600 -0.143 0.000 1.130 21 S CA 0.145 58.173 58.200 -0.286 0.000 0.817 21 S CB 1.956 64.934 63.200 -0.370 0.000 1.107 21 S HN 1.126 nan 8.310 nan 0.000 0.471 22 E N 1.447 121.648 120.200 0.001 0.000 2.344 22 E HA 0.427 4.817 4.350 0.067 0.000 0.270 22 E C 0.345 177.032 176.600 0.146 0.000 1.021 22 E CA -0.518 55.936 56.400 0.089 0.000 0.887 22 E CB 0.780 30.561 29.700 0.135 0.000 0.997 22 E HN 0.947 nan 8.360 nan 0.000 0.429 23 V N 2.645 122.623 119.914 0.107 0.000 2.999 23 V HA -0.030 4.131 4.120 0.067 0.000 0.307 23 V C 1.094 177.315 176.094 0.213 0.000 1.084 23 V CA 0.051 62.422 62.300 0.119 0.000 1.155 23 V CB 0.799 32.583 31.823 -0.066 0.000 0.975 23 V HN 0.873 nan 8.190 nan 0.000 0.490 24 Q N 1.518 121.441 119.800 0.205 0.000 2.084 24 Q HA 0.066 4.447 4.340 0.067 0.000 0.202 24 Q C 1.054 177.145 176.000 0.152 0.000 0.978 24 Q CA 1.707 57.600 55.803 0.151 0.000 0.844 24 Q CB 0.163 28.955 28.738 0.091 0.000 0.898 24 Q HN 0.974 nan 8.270 nan 0.000 0.426 25 S N -2.381 113.384 115.700 0.109 0.000 2.627 25 S HA 0.280 4.791 4.470 0.067 0.000 0.268 25 S C -0.956 173.592 174.600 -0.087 0.000 1.130 25 S CA -0.769 57.491 58.200 0.099 0.000 0.819 25 S CB 0.255 63.493 63.200 0.064 0.000 1.100 25 S HN 0.175 nan 8.310 nan 0.000 0.465 26 L N 1.308 122.428 121.223 -0.173 0.000 2.693 26 L HA 0.375 4.755 4.340 0.067 0.000 0.235 26 L C 0.181 176.933 176.870 -0.196 0.000 1.127 26 L CA -0.050 54.631 54.840 -0.266 0.000 0.914 26 L CB 0.213 42.015 42.059 -0.428 0.000 1.193 26 L HN 0.578 nan 8.230 nan 0.000 0.502 27 D N 1.360 121.652 120.400 -0.180 0.000 2.325 27 D HA 0.110 4.790 4.640 0.067 0.000 0.251 27 D C -1.705 174.534 176.300 -0.101 0.000 1.196 27 D CA -1.882 52.067 54.000 -0.085 0.000 0.866 27 D CB 1.997 42.861 40.800 0.107 0.000 1.101 27 D HN -0.127 nan 8.370 nan 0.000 0.476 28 P HA -0.118 nan 4.420 nan 0.000 0.218 28 P C 0.349 177.574 177.300 -0.125 0.000 1.146 28 P CA 1.312 64.241 63.100 -0.285 0.000 0.813 28 P CB 0.073 31.472 31.700 -0.502 0.000 0.778 29 H N -1.811 117.248 119.070 -0.018 0.000 2.539 29 H HA 0.159 4.756 4.556 0.067 0.000 0.267 29 H C 0.875 176.221 175.328 0.030 0.000 0.982 29 H CA 0.081 56.129 56.048 0.001 0.000 1.146 29 H CB 0.290 30.055 29.762 0.005 0.000 1.382 29 H HN -0.060 nan 8.280 nan 0.000 0.577 30 K N 1.125 121.604 120.400 0.132 0.000 2.478 30 K HA 0.222 4.583 4.320 0.067 0.000 0.205 30 K C -0.039 176.605 176.600 0.073 0.000 1.033 30 K CA 0.029 56.373 56.287 0.095 0.000 1.091 30 K CB 0.716 33.270 32.500 0.090 0.000 0.844 30 K HN 0.394 nan 8.250 nan 0.000 0.507 31 I N -2.077 118.546 120.570 0.088 0.000 2.846 31 I HA 0.380 4.591 4.170 0.067 0.000 0.307 31 I C 0.468 176.709 176.117 0.208 0.000 1.053 31 I CA -0.691 60.664 61.300 0.092 0.000 1.050 31 I CB 2.061 40.073 38.000 0.021 0.000 1.239 31 I HN -0.021 nan 8.210 nan 0.000 0.439 32 E N 2.183 122.518 120.200 0.224 0.000 2.703 32 E HA 0.296 4.687 4.350 0.067 0.000 0.214 32 E C 0.266 177.048 176.600 0.303 0.000 0.944 32 E CA -0.354 56.291 56.400 0.409 0.000 1.299 32 E CB 0.882 30.760 29.700 0.298 0.000 1.189 32 E HN 0.831 nan 8.360 nan 0.000 0.597 33 G N 0.684 109.638 108.800 0.257 0.000 2.552 33 G HA2 0.389 4.389 3.960 0.067 0.000 0.324 33 G HA3 0.389 4.389 3.960 0.067 0.000 0.324 33 G C 0.829 175.844 174.900 0.192 0.000 1.217 33 G CA -0.462 44.864 45.100 0.378 0.000 0.989 33 G HN -0.048 nan 8.290 nan 0.000 0.490 34 V N 1.124 121.140 119.914 0.170 0.000 2.295 34 V HA -0.080 4.081 4.120 0.067 0.000 0.246 34 V C -0.166 175.936 176.094 0.013 0.000 1.049 34 V CA 2.087 64.416 62.300 0.049 0.000 1.024 34 V CB -0.866 31.003 31.823 0.078 0.000 0.648 34 V HN 0.516 nan 8.190 nan 0.000 0.447 35 P HA -0.109 nan 4.420 nan 0.000 0.217 35 P C 1.439 178.657 177.300 -0.138 0.000 1.150 35 P CA 1.192 64.203 63.100 -0.149 0.000 0.832 35 P CB 0.055 31.555 31.700 -0.333 0.000 0.787 36 E N -0.691 119.493 120.200 -0.027 0.000 2.051 36 E HA -0.108 4.283 4.350 0.067 0.000 0.192 36 E C 2.163 178.666 176.600 -0.163 0.000 0.991 36 E CA 1.460 57.815 56.400 -0.074 0.000 0.799 36 E CB -1.052 28.662 29.700 0.023 0.000 0.748 36 E HN 0.121 nan 8.360 nan 0.000 0.449 37 S N 0.792 116.402 115.700 -0.151 0.000 2.383 37 S HA -0.103 4.408 4.470 0.067 0.000 0.227 37 S C 1.604 176.060 174.600 -0.240 0.000 1.026 37 S CA 0.798 58.868 58.200 -0.218 0.000 0.981 37 S CB -0.294 62.769 63.200 -0.229 0.000 0.818 37 S HN 0.238 nan 8.310 nan 0.000 0.472 38 N N 1.470 120.034 118.700 -0.226 0.000 2.069 38 N HA -0.082 4.699 4.740 0.067 0.000 0.191 38 N C 1.699 176.935 175.510 -0.456 0.000 1.031 38 N CA 1.156 54.048 53.050 -0.263 0.000 0.852 38 N CB -0.699 37.682 38.487 -0.176 0.000 1.018 38 N HN 0.237 nan 8.380 nan 0.000 0.423 39 V N 0.063 119.615 119.914 -0.604 0.000 2.453 39 V HA -0.098 4.062 4.120 0.067 0.000 0.247 39 V C 2.436 178.313 176.094 -0.361 0.000 1.048 39 V CA 1.402 63.279 62.300 -0.705 0.000 1.049 39 V CB -0.675 30.727 31.823 -0.701 0.000 0.672 39 V HN 0.291 nan 8.190 nan 0.000 0.457 40 S N -0.288 115.264 115.700 -0.246 0.000 2.383 40 S HA -0.219 4.291 4.470 0.067 0.000 0.229 40 S C 2.176 176.741 174.600 -0.058 0.000 1.030 40 S CA 1.581 59.738 58.200 -0.072 0.000 1.002 40 S CB -0.259 62.892 63.200 -0.083 0.000 0.829 40 S HN 0.542 nan 8.310 nan 0.000 0.467 41 R N 0.439 120.839 120.500 -0.167 0.000 2.152 41 R HA -0.039 4.342 4.340 0.067 0.000 0.232 41 R C 1.515 177.795 176.300 -0.033 0.000 1.117 41 R CA 1.432 57.435 56.100 -0.161 0.000 0.981 41 R CB -0.258 29.715 30.300 -0.545 0.000 0.870 41 R HN 0.407 nan 8.270 nan 0.000 0.451 42 D N 0.165 120.526 120.400 -0.065 0.000 2.234 42 D HA -0.038 4.642 4.640 0.067 0.000 0.205 42 D C 1.759 178.054 176.300 -0.010 0.000 0.962 42 D CA 0.902 54.932 54.000 0.051 0.000 0.855 42 D CB 0.247 41.040 40.800 -0.010 0.000 0.951 42 D HN 0.212 nan 8.370 nan 0.000 0.500 43 L N -1.383 119.752 121.223 -0.147 0.000 2.316 43 L HA 0.153 4.533 4.340 0.067 0.000 0.207 43 L C 0.000 176.523 176.870 -0.580 0.000 1.070 43 L CA 0.337 54.935 54.840 -0.403 0.000 0.820 43 L CB 0.302 41.990 42.059 -0.619 0.000 0.992 43 L HN -0.165 nan 8.230 nan 0.000 0.466 44 F N -0.094 119.878 119.950 0.036 0.000 2.493 44 F HA 0.393 4.959 4.527 0.066 0.000 0.329 44 F C 0.032 175.872 175.800 0.067 0.000 1.126 44 F CA -0.850 57.188 58.000 0.064 0.000 0.937 44 F CB 1.600 40.647 39.000 0.078 0.000 1.146 44 F HN -0.189 nan 8.300 nan 0.000 0.442 45 E N 2.004 122.343 120.200 0.231 0.000 2.165 45 E HA 0.602 4.992 4.350 0.067 0.000 0.266 45 E C -0.019 176.759 176.600 0.296 0.000 0.889 45 E CA -0.551 56.003 56.400 0.257 0.000 0.756 45 E CB 1.432 31.309 29.700 0.294 0.000 1.131 45 E HN 0.814 nan 8.360 nan 0.000 0.411 46 G N 2.988 111.974 108.800 0.310 0.000 2.509 46 G HA2 0.120 4.121 3.960 0.067 0.000 0.269 46 G HA3 0.120 4.121 3.960 0.067 0.000 0.269 46 G C 0.882 175.938 174.900 0.259 0.000 1.416 46 G CA -0.477 44.864 45.100 0.401 0.000 1.052 46 G HN 0.605 nan 8.290 nan 0.000 0.542 47 L N -1.340 119.894 121.223 0.018 0.000 2.017 47 L HA 0.038 4.419 4.340 0.067 0.000 0.208 47 L C 0.670 177.465 176.870 -0.126 0.000 1.073 47 L CA 0.799 55.459 54.840 -0.301 0.000 0.745 47 L CB -0.497 41.152 42.059 -0.683 0.000 0.894 47 L HN 0.123 nan 8.230 nan 0.000 0.432 48 L N -1.460 119.707 121.223 -0.093 0.000 2.279 48 L HA 0.563 4.943 4.340 0.067 0.000 0.262 48 L C -0.306 176.633 176.870 0.115 0.000 1.019 48 L CA -0.515 54.319 54.840 -0.010 0.000 0.823 48 L CB 1.970 43.968 42.059 -0.103 0.000 1.358 48 L HN -0.026 nan 8.230 nan 0.000 0.432 49 I N -3.436 117.227 120.570 0.155 0.000 3.174 49 I HA 0.673 4.884 4.170 0.067 0.000 0.313 49 I C -0.609 175.612 176.117 0.172 0.000 1.155 49 I CA -0.706 60.693 61.300 0.165 0.000 0.977 49 I CB 2.271 40.247 38.000 -0.040 0.000 1.248 49 I HN 0.332 nan 8.210 nan 0.000 0.453 50 S N 1.949 117.799 115.700 0.251 0.000 2.565 50 S HA 0.239 4.750 4.470 0.067 0.000 0.274 50 S C -0.459 174.226 174.600 0.142 0.000 1.309 50 S CA -0.615 57.735 58.200 0.249 0.000 1.043 50 S CB 0.796 64.192 63.200 0.326 0.000 0.939 50 S HN 0.803 nan 8.310 nan 0.000 0.504 51 D N 0.813 121.315 120.400 0.169 0.000 2.376 51 D HA 0.034 4.714 4.640 0.067 0.000 0.268 51 D C 1.597 177.977 176.300 0.133 0.000 1.252 51 D CA -0.526 53.557 54.000 0.138 0.000 1.041 51 D CB -0.415 40.511 40.800 0.209 0.000 1.109 51 D HN 0.275 nan 8.370 nan 0.000 0.552 52 V N -3.237 116.750 119.914 0.123 0.000 3.078 52 V HA -0.025 4.135 4.120 0.067 0.000 0.265 52 V C 1.276 177.392 176.094 0.037 0.000 1.122 52 V CA 1.334 63.697 62.300 0.105 0.000 1.141 52 V CB -1.133 30.753 31.823 0.104 0.000 0.735 52 V HN 0.513 nan 8.190 nan 0.000 0.498 53 E N 0.517 120.709 120.200 -0.014 0.000 2.498 53 E HA 0.397 4.788 4.350 0.067 0.000 0.203 53 E C 1.605 178.047 176.600 -0.264 0.000 1.013 53 E CA 0.476 56.785 56.400 -0.152 0.000 0.927 53 E CB 0.792 30.394 29.700 -0.163 0.000 1.012 53 E HN 0.746 nan 8.360 nan 0.000 0.482 54 G N 1.654 110.376 108.800 -0.130 0.000 2.176 54 G HA2 -0.235 3.765 3.960 0.067 0.000 0.232 54 G HA3 -0.235 3.765 3.960 0.067 0.000 0.232 54 G C -0.120 174.764 174.900 -0.027 0.000 0.986 54 G CA -0.190 44.874 45.100 -0.060 0.000 0.643 54 G HN 0.412 nan 8.290 nan 0.000 0.522 55 H N 1.767 120.932 119.070 0.159 0.000 2.764 55 H HA 0.410 4.988 4.556 0.036 0.000 0.341 55 H C -2.190 173.273 175.328 0.226 0.000 1.072 55 H CA -1.198 54.964 56.048 0.190 0.000 1.444 55 H CB 0.726 30.597 29.762 0.182 0.000 1.458 55 H HN 0.124 nan 8.280 nan 0.000 0.572 56 P HA 0.031 nan 4.420 nan 0.000 0.263 56 P C -0.723 176.835 177.300 0.430 0.000 1.195 56 P CA 0.453 63.781 63.100 0.381 0.000 0.762 56 P CB 0.874 32.858 31.700 0.473 0.000 0.799 57 S N 3.839 119.763 115.700 0.373 0.000 2.638 57 S HA 0.557 5.067 4.470 0.067 0.000 0.274 57 S C -2.796 172.057 174.600 0.421 0.000 1.157 57 S CA -1.516 56.927 58.200 0.404 0.000 0.826 57 S CB 1.311 64.682 63.200 0.284 0.000 1.139 57 S HN 0.186 nan 8.310 nan 0.000 0.474 58 P HA 0.203 nan 4.420 nan 0.000 0.264 58 P C -0.003 177.491 177.300 0.324 0.000 1.193 58 P CA 0.389 63.763 63.100 0.457 0.000 0.763 58 P CB 0.404 32.302 31.700 0.330 0.000 0.810 59 G N 1.385 110.335 108.800 0.251 0.000 3.110 59 G HA2 0.110 4.111 3.960 0.067 0.000 0.207 59 G HA3 0.110 4.111 3.960 0.067 0.000 0.207 59 G C 0.999 176.013 174.900 0.191 0.000 1.841 59 G CA -0.227 45.047 45.100 0.289 0.000 0.751 59 G HN 0.270 nan 8.290 nan 0.000 0.771 60 V N 1.909 121.906 119.914 0.139 0.000 2.548 60 V HA 0.186 4.347 4.120 0.067 0.000 0.249 60 V C 1.849 177.892 176.094 -0.085 0.000 1.055 60 V CA 1.307 63.608 62.300 0.001 0.000 1.065 60 V CB -0.738 31.156 31.823 0.119 0.000 0.681 60 V HN 0.602 nan 8.190 nan 0.000 0.462 61 A N 0.946 123.758 122.820 -0.012 0.000 2.409 61 A HA 0.259 4.620 4.320 0.067 0.000 0.267 61 A C 1.255 178.982 177.584 0.238 0.000 1.127 61 A CA -0.025 52.100 52.037 0.146 0.000 0.795 61 A CB 0.110 19.305 19.000 0.325 0.000 1.061 61 A HN 0.652 nan 8.150 nan 0.000 0.502 62 E N 2.629 122.916 120.200 0.145 0.000 2.318 62 E HA 0.047 4.438 4.350 0.067 0.000 0.193 62 E C 0.205 176.884 176.600 0.132 0.000 0.998 62 E CA 0.467 56.914 56.400 0.077 0.000 0.859 62 E CB 0.039 29.685 29.700 -0.090 0.000 0.812 62 E HN 0.606 nan 8.360 nan 0.000 0.492 63 K N 0.135 120.683 120.400 0.246 0.000 2.575 63 K HA 0.405 4.765 4.320 0.067 0.000 0.279 63 K C -1.804 175.027 176.600 0.386 0.000 0.969 63 K CA -0.823 55.485 56.287 0.034 0.000 0.868 63 K CB 1.145 33.580 32.500 -0.108 0.000 1.457 63 K HN 0.187 nan 8.250 nan 0.000 0.426 64 W N -0.045 121.333 121.300 0.129 0.000 3.248 64 W HA 0.672 5.368 4.660 0.059 0.000 0.311 64 W C -1.357 175.126 176.519 -0.060 0.000 1.258 64 W CA -0.604 56.729 57.345 -0.020 0.000 1.191 64 W CB 1.005 30.378 29.460 -0.145 0.000 1.389 64 W HN 0.578 nan 8.180 nan 0.000 0.561 65 E N 1.297 121.518 120.200 0.035 0.000 2.392 65 E HA 0.530 4.921 4.350 0.067 0.000 0.269 65 E C -1.165 175.281 176.600 -0.258 0.000 0.924 65 E CA -1.166 55.174 56.400 -0.100 0.000 0.784 65 E CB 2.057 31.695 29.700 -0.103 0.000 1.292 65 E HN 0.526 nan 8.360 nan 0.000 0.447 66 N N -0.721 117.697 118.700 -0.470 0.000 2.284 66 N HA 0.413 5.194 4.740 0.067 0.000 0.289 66 N C -1.490 173.652 175.510 -0.613 0.000 1.179 66 N CA -1.089 51.453 53.050 -0.848 0.000 0.774 66 N CB 1.872 39.317 38.487 -1.736 0.000 1.548 66 N HN 0.250 nan 8.380 nan 0.000 0.473 67 K N 0.873 120.939 120.400 -0.557 0.000 2.425 67 K HA 0.213 4.573 4.320 0.067 0.000 0.259 67 K C -0.918 175.443 176.600 -0.399 0.000 0.978 67 K CA -0.383 55.665 56.287 -0.398 0.000 0.883 67 K CB 0.378 32.721 32.500 -0.260 0.000 1.110 67 K HN 0.698 nan 8.250 nan 0.000 0.436 68 D N 4.164 124.290 120.400 -0.457 0.000 2.983 68 D HA -0.221 4.459 4.640 0.067 0.000 0.225 68 D C -0.379 175.772 176.300 -0.248 0.000 1.174 68 D CA 1.366 55.143 54.000 -0.371 0.000 0.831 68 D CB -1.076 39.626 40.800 -0.163 0.000 1.104 68 D HN 0.756 nan 8.370 nan 0.000 0.421 69 F N -2.248 117.562 119.950 -0.233 0.000 3.006 69 F HA -0.319 4.248 4.527 0.066 0.000 0.289 69 F C 1.607 177.464 175.800 0.094 0.000 0.772 69 F CA 1.491 59.434 58.000 -0.094 0.000 1.162 69 F CB -2.096 36.994 39.000 0.150 0.000 1.382 69 F HN 0.205 nan 8.300 nan 0.000 0.406 70 K N -1.031 119.377 120.400 0.014 0.000 2.424 70 K HA 0.414 4.775 4.320 0.067 0.000 0.198 70 K C 0.122 176.742 176.600 0.034 0.000 1.190 70 K CA 0.629 56.964 56.287 0.080 0.000 0.935 70 K CB 1.241 33.753 32.500 0.020 0.000 1.087 70 K HN 0.002 nan 8.250 nan 0.000 0.524 71 V N 1.699 121.519 119.914 -0.157 0.000 2.407 71 V HA 0.284 4.444 4.120 0.067 0.000 0.291 71 V C -1.552 174.395 176.094 -0.243 0.000 1.018 71 V CA -0.740 61.498 62.300 -0.104 0.000 0.842 71 V CB 0.849 32.606 31.823 -0.110 0.000 0.996 71 V HN 0.165 nan 8.190 nan 0.000 0.426 72 W N 2.439 123.679 121.300 -0.099 0.000 2.475 72 W HA 0.661 5.361 4.660 0.066 0.000 0.317 72 W C 0.160 176.499 176.519 -0.301 0.000 1.046 72 W CA -0.424 56.832 57.345 -0.148 0.000 1.215 72 W CB 2.038 31.561 29.460 0.105 0.000 1.335 72 W HN 0.369 nan 8.180 nan 0.000 0.471 73 T N 4.211 118.586 114.554 -0.299 0.000 2.791 73 T HA 0.474 4.865 4.350 0.067 0.000 0.288 73 T C -1.078 173.295 174.700 -0.544 0.000 0.999 73 T CA -0.534 61.368 62.100 -0.330 0.000 0.952 73 T CB 0.284 69.003 68.868 -0.247 0.000 0.938 73 T HN -0.030 nan 8.240 nan 0.000 0.444 74 F N 2.921 122.824 119.950 -0.079 0.000 2.427 74 F HA 0.328 4.894 4.527 0.065 0.000 0.346 74 F C 1.019 176.696 175.800 -0.205 0.000 1.120 74 F CA -0.967 57.027 58.000 -0.010 0.000 1.033 74 F CB 0.975 40.015 39.000 0.067 0.000 1.126 74 F HN 0.501 nan 8.300 nan 0.000 0.462 75 H N 5.515 124.749 119.070 0.273 0.000 2.690 75 H HA 0.312 4.907 4.556 0.066 0.000 0.289 75 H C -0.183 175.220 175.328 0.125 0.000 1.089 75 H CA -0.361 55.780 56.048 0.155 0.000 1.299 75 H CB 0.728 30.537 29.762 0.078 0.000 1.405 75 H HN 0.448 nan 8.280 nan 0.000 0.463 76 L N 3.928 125.253 121.223 0.169 0.000 2.349 76 L HA 0.257 4.638 4.340 0.067 0.000 0.275 76 L C 1.201 178.062 176.870 -0.014 0.000 1.115 76 L CA -0.710 54.172 54.840 0.071 0.000 0.820 76 L CB 0.703 42.814 42.059 0.087 0.000 1.135 76 L HN 0.491 nan 8.230 nan 0.000 0.445 77 R N 1.427 121.842 120.500 -0.143 0.000 2.623 77 R HA -0.006 4.374 4.340 0.067 0.000 0.271 77 R C 0.301 176.444 176.300 -0.262 0.000 1.043 77 R CA -0.243 55.704 56.100 -0.255 0.000 1.083 77 R CB 0.663 30.682 30.300 -0.468 0.000 0.974 77 R HN 0.654 nan 8.270 nan 0.000 0.436 78 E N 1.083 121.089 120.200 -0.322 0.000 2.268 78 E HA -0.169 4.221 4.350 0.067 0.000 0.195 78 E C 0.664 177.156 176.600 -0.180 0.000 0.995 78 E CA 1.346 57.491 56.400 -0.425 0.000 0.836 78 E CB 0.132 29.616 29.700 -0.361 0.000 0.763 78 E HN 0.788 nan 8.360 nan 0.000 0.491 79 N N 0.002 118.628 118.700 -0.123 0.000 2.276 79 N HA 0.066 4.846 4.740 0.067 0.000 0.212 79 N C -0.546 174.975 175.510 0.018 0.000 1.127 79 N CA 0.074 53.109 53.050 -0.025 0.000 0.834 79 N CB 0.266 38.754 38.487 0.001 0.000 1.014 79 N HN -0.056 nan 8.380 nan 0.000 0.491 80 A N 0.714 123.515 122.820 -0.033 0.000 2.454 80 A HA 0.424 4.784 4.320 0.067 0.000 0.260 80 A C 0.054 177.671 177.584 0.055 0.000 1.106 80 A CA -0.080 51.969 52.037 0.019 0.000 0.780 80 A CB 0.313 19.280 19.000 -0.055 0.000 1.044 80 A HN 0.345 nan 8.150 nan 0.000 0.498 81 K N 1.295 121.743 120.400 0.079 0.000 2.482 81 K HA 0.417 4.777 4.320 0.067 0.000 0.257 81 K C -1.289 175.332 176.600 0.035 0.000 0.969 81 K CA -0.519 55.815 56.287 0.079 0.000 0.842 81 K CB 1.657 34.241 32.500 0.140 0.000 1.359 81 K HN 0.764 nan 8.250 nan 0.000 0.441 82 W N 0.330 121.718 121.300 0.146 0.000 2.141 82 W HA 0.047 4.750 4.660 0.071 0.000 0.354 82 W C 1.610 178.193 176.519 0.106 0.000 1.297 82 W CA -0.131 57.292 57.345 0.129 0.000 1.380 82 W CB 0.717 30.244 29.460 0.112 0.000 1.168 82 W HN 0.699 nan 8.180 nan 0.000 0.639 83 S N -0.624 115.301 115.700 0.375 0.000 2.555 83 S HA -0.184 4.327 4.470 0.067 0.000 0.230 83 S C 0.815 175.521 174.600 0.177 0.000 0.978 83 S CA 1.132 59.459 58.200 0.213 0.000 0.934 83 S CB -0.485 62.810 63.200 0.157 0.000 0.766 83 S HN 0.589 nan 8.310 nan 0.000 0.533 84 D N 0.134 120.658 120.400 0.207 0.000 2.328 84 D HA 0.288 4.969 4.640 0.067 0.000 0.221 84 D C 1.396 177.783 176.300 0.146 0.000 1.072 84 D CA 0.434 54.521 54.000 0.145 0.000 0.850 84 D CB -0.560 40.309 40.800 0.115 0.000 0.922 84 D HN 0.466 nan 8.370 nan 0.000 0.516 85 G N 0.253 109.158 108.800 0.174 0.000 2.199 85 G HA2 -0.294 3.706 3.960 0.067 0.000 0.254 85 G HA3 -0.294 3.706 3.960 0.067 0.000 0.254 85 G C 0.565 175.572 174.900 0.179 0.000 0.982 85 G CA 0.592 45.784 45.100 0.153 0.000 0.632 85 G HN 0.808 nan 8.290 nan 0.000 0.529 86 T N -0.163 114.529 114.554 0.230 0.000 2.904 86 T HA 0.598 4.989 4.350 0.067 0.000 0.290 86 T C -2.340 172.560 174.700 0.333 0.000 1.018 86 T CA -1.375 60.873 62.100 0.247 0.000 1.075 86 T CB 2.136 71.129 68.868 0.208 0.000 0.986 86 T HN 0.085 nan 8.240 nan 0.000 0.523 87 P HA 0.274 nan 4.420 nan 0.000 0.271 87 P C -0.667 176.811 177.300 0.296 0.000 1.216 87 P CA -0.553 62.697 63.100 0.250 0.000 0.776 87 P CB 0.472 32.309 31.700 0.228 0.000 0.881 88 V N 3.334 123.313 119.914 0.109 0.000 2.461 88 V HA 0.348 4.509 4.120 0.067 0.000 0.275 88 V C 0.873 177.073 176.094 0.177 0.000 1.047 88 V CA 0.173 62.485 62.300 0.019 0.000 0.955 88 V CB 0.622 32.291 31.823 -0.256 0.000 0.988 88 V HN 0.728 nan 8.190 nan 0.000 0.471 89 T N 1.835 116.525 114.554 0.227 0.000 2.910 89 T HA 0.677 5.068 4.350 0.067 0.000 0.287 89 T C 1.082 175.865 174.700 0.139 0.000 1.050 89 T CA -0.068 62.121 62.100 0.149 0.000 1.011 89 T CB 1.961 70.912 68.868 0.138 0.000 1.195 89 T HN 0.592 nan 8.240 nan 0.000 0.540 90 A N -0.140 122.660 122.820 -0.034 0.000 2.015 90 A HA -0.061 4.300 4.320 0.067 0.000 0.219 90 A C 2.092 179.645 177.584 -0.053 0.000 1.163 90 A CA 1.162 53.174 52.037 -0.042 0.000 0.646 90 A CB -1.274 17.691 19.000 -0.059 0.000 0.806 90 A HN 0.944 nan 8.150 nan 0.000 0.448 91 H N 0.400 119.556 119.070 0.145 0.000 2.421 91 H HA -0.104 4.493 4.556 0.068 0.000 0.298 91 H C 1.275 176.686 175.328 0.139 0.000 1.087 91 H CA 1.452 57.581 56.048 0.135 0.000 1.330 91 H CB -0.264 29.551 29.762 0.089 0.000 1.388 91 H HN 0.494 nan 8.280 nan 0.000 0.526 92 D N 0.500 121.031 120.400 0.219 0.000 2.117 92 D HA -0.118 4.562 4.640 0.067 0.000 0.197 92 D C 2.024 178.317 176.300 -0.013 0.000 0.987 92 D CA 0.784 54.877 54.000 0.155 0.000 0.829 92 D CB -0.407 40.527 40.800 0.223 0.000 0.961 92 D HN 0.279 nan 8.370 nan 0.000 0.460 93 F N 0.777 120.613 119.950 -0.191 0.000 2.186 93 F HA -0.129 4.438 4.527 0.066 0.000 0.299 93 F C 2.536 178.102 175.800 -0.391 0.000 1.090 93 F CA 0.373 58.006 58.000 -0.611 0.000 1.307 93 F CB -0.586 37.424 39.000 -1.650 0.000 1.019 93 F HN -0.186 nan 8.300 nan 0.000 0.489 94 V N -0.649 119.335 119.914 0.117 0.000 2.295 94 V HA -0.336 3.824 4.120 0.067 0.000 0.246 94 V C 2.096 178.341 176.094 0.252 0.000 1.049 94 V CA 2.065 64.539 62.300 0.291 0.000 1.024 94 V CB -0.856 31.157 31.823 0.317 0.000 0.648 94 V HN 0.417 nan 8.190 nan 0.000 0.447 95 Y N 1.381 121.758 120.300 0.129 0.000 2.128 95 Y HA -0.254 4.336 4.550 0.067 0.000 0.284 95 Y C 2.717 178.699 175.900 0.136 0.000 1.154 95 Y CA 2.009 60.170 58.100 0.102 0.000 1.149 95 Y CB -0.467 38.023 38.460 0.051 0.000 0.976 95 Y HN 0.224 nan 8.280 nan 0.000 0.505 96 S N -0.419 115.355 115.700 0.123 0.000 2.356 96 S HA -0.197 4.314 4.470 0.067 0.000 0.223 96 S C 1.533 176.295 174.600 0.270 0.000 1.032 96 S CA 1.456 59.757 58.200 0.168 0.000 1.005 96 S CB -0.696 62.658 63.200 0.256 0.000 0.867 96 S HN 0.646 nan 8.310 nan 0.000 0.449 97 W N 2.230 123.559 121.300 0.049 0.000 2.402 97 W HA 0.057 4.756 4.660 0.065 0.000 0.286 97 W C 2.425 178.916 176.519 -0.046 0.000 1.221 97 W CA -0.063 57.317 57.345 0.057 0.000 1.257 97 W CB -1.111 28.486 29.460 0.228 0.000 1.120 97 W HN 0.409 nan 8.180 nan 0.000 0.551 98 Q N -0.142 119.750 119.800 0.153 0.000 2.084 98 Q HA -0.192 4.188 4.340 0.067 0.000 0.202 98 Q C 2.313 178.230 176.000 -0.139 0.000 0.978 98 Q CA 1.700 57.513 55.803 0.016 0.000 0.844 98 Q CB -0.422 28.322 28.738 0.010 0.000 0.898 98 Q HN 0.258 nan 8.270 nan 0.000 0.426 99 R N 0.510 120.826 120.500 -0.306 0.000 2.092 99 R HA -0.161 4.219 4.340 0.067 0.000 0.231 99 R C 2.205 178.241 176.300 -0.439 0.000 1.119 99 R CA 0.915 56.790 56.100 -0.375 0.000 0.970 99 R CB -0.206 29.810 30.300 -0.473 0.000 0.864 99 R HN 0.226 nan 8.270 nan 0.000 0.440 100 L N 0.727 121.555 121.223 -0.658 0.000 2.046 100 L HA -0.069 4.312 4.340 0.067 0.000 0.208 100 L C 2.201 178.914 176.870 -0.261 0.000 1.077 100 L CA 2.234 56.706 54.840 -0.615 0.000 0.747 100 L CB -0.658 41.090 42.059 -0.519 0.000 0.896 100 L HN 0.235 nan 8.230 nan 0.000 0.432 101 A N -1.379 121.347 122.820 -0.156 0.000 2.014 101 A HA -0.130 4.230 4.320 0.067 0.000 0.218 101 A C 1.058 178.599 177.584 -0.073 0.000 1.163 101 A CA 0.766 52.754 52.037 -0.082 0.000 0.652 101 A CB -0.790 18.199 19.000 -0.019 0.000 0.808 101 A HN 0.524 nan 8.150 nan 0.000 0.449 102 D N -0.117 120.229 120.400 -0.089 0.000 2.401 102 D HA 0.141 4.821 4.640 0.067 0.000 0.254 102 D C -1.575 174.692 176.300 -0.055 0.000 1.192 102 D CA -1.926 52.038 54.000 -0.061 0.000 0.885 102 D CB 1.110 41.868 40.800 -0.070 0.000 1.147 102 D HN 0.026 nan 8.370 nan 0.000 0.478 103 P HA -0.130 nan 4.420 nan 0.000 0.217 103 P C 0.847 178.132 177.300 -0.025 0.000 1.148 103 P CA 0.805 63.886 63.100 -0.030 0.000 0.828 103 P CB 0.272 31.960 31.700 -0.019 0.000 0.783 104 N N -1.153 117.535 118.700 -0.019 0.000 2.364 104 N HA -0.074 4.707 4.740 0.067 0.000 0.183 104 N C 1.398 176.904 175.510 -0.007 0.000 1.022 104 N CA 1.273 54.317 53.050 -0.009 0.000 0.883 104 N CB -0.904 37.582 38.487 -0.002 0.000 0.965 104 N HN 0.208 nan 8.380 nan 0.000 0.438 105 T N 0.370 114.911 114.554 -0.021 0.000 3.023 105 T HA 0.155 4.546 4.350 0.067 0.000 0.266 105 T C 1.031 175.727 174.700 -0.007 0.000 1.093 105 T CA 0.711 62.806 62.100 -0.008 0.000 1.129 105 T CB -0.153 68.690 68.868 -0.043 0.000 0.899 105 T HN 0.355 nan 8.240 nan 0.000 0.491 106 A N 1.791 124.594 122.820 -0.029 0.000 2.745 106 A HA -0.156 4.205 4.320 0.067 0.000 0.296 106 A C 0.934 178.487 177.584 -0.052 0.000 1.500 106 A CA 0.665 52.676 52.037 -0.043 0.000 0.766 106 A CB -2.259 16.719 19.000 -0.037 0.000 1.030 106 A HN 0.511 nan 8.150 nan 0.000 0.489 107 S N 0.270 115.945 115.700 -0.041 0.000 2.564 107 S HA 0.455 4.965 4.470 0.067 0.000 0.278 107 S C -0.111 174.458 174.600 -0.052 0.000 1.333 107 S CA -0.608 57.583 58.200 -0.014 0.000 1.048 107 S CB 0.657 63.859 63.200 0.004 0.000 0.900 107 S HN 0.445 nan 8.310 nan 0.000 0.505 108 P HA -0.038 nan 4.420 nan 0.000 0.226 108 P C 0.093 177.335 177.300 -0.097 0.000 1.153 108 P CA 1.028 64.049 63.100 -0.132 0.000 0.777 108 P CB -0.048 31.592 31.700 -0.099 0.000 0.794 109 Y N -0.619 119.673 120.300 -0.013 0.000 2.607 109 Y HA 0.437 5.029 4.550 0.069 0.000 0.266 109 Y C 2.285 178.129 175.900 -0.094 0.000 1.178 109 Y CA -0.209 57.876 58.100 -0.025 0.000 1.226 109 Y CB -0.467 37.989 38.460 -0.007 0.000 1.144 109 Y HN -0.063 nan 8.280 nan 0.000 0.528 110 A N -0.609 122.206 122.820 -0.009 0.000 1.948 110 A HA -0.223 4.137 4.320 0.067 0.000 0.220 110 A C 2.313 179.822 177.584 -0.125 0.000 1.177 110 A CA 2.309 54.303 52.037 -0.071 0.000 0.636 110 A CB -0.712 18.242 19.000 -0.076 0.000 0.815 110 A HN 0.334 nan 8.150 nan 0.000 0.449 111 S N -1.877 113.706 115.700 -0.195 0.000 2.547 111 S HA -0.070 4.440 4.470 0.067 0.000 0.235 111 S C 1.466 175.552 174.600 -0.856 0.000 0.980 111 S CA 0.676 58.640 58.200 -0.393 0.000 0.941 111 S CB -0.499 62.518 63.200 -0.304 0.000 0.763 111 S HN 0.635 nan 8.310 nan 0.000 0.532 112 Y N 2.199 122.079 120.300 -0.700 0.000 2.274 112 Y HA -0.044 4.545 4.550 0.066 0.000 0.290 112 Y C 1.662 177.319 175.900 -0.406 0.000 1.145 112 Y CA 0.979 58.715 58.100 -0.606 0.000 1.203 112 Y CB -0.318 38.019 38.460 -0.206 0.000 0.984 112 Y HN 0.227 nan 8.280 nan 0.000 0.533 113 L N -0.698 120.382 121.223 -0.238 0.000 2.291 113 L HA -0.190 4.190 4.340 0.067 0.000 0.214 113 L C 2.179 178.938 176.870 -0.186 0.000 1.120 113 L CA 0.970 55.698 54.840 -0.188 0.000 0.799 113 L CB -0.450 41.548 42.059 -0.103 0.000 0.925 113 L HN 0.237 nan 8.230 nan 0.000 0.446 114 Q N -0.985 118.673 119.800 -0.237 0.000 2.123 114 Q HA -0.152 4.228 4.340 0.067 0.000 0.199 114 Q C 2.106 177.909 176.000 -0.328 0.000 0.966 114 Q CA 1.192 56.870 55.803 -0.208 0.000 0.845 114 Q CB -0.105 28.578 28.738 -0.092 0.000 0.907 114 Q HN 0.420 nan 8.270 nan 0.000 0.439 115 Y N 0.058 120.165 120.300 -0.322 0.000 2.207 115 Y HA -0.087 4.503 4.550 0.066 0.000 0.287 115 Y C 2.381 178.057 175.900 -0.372 0.000 1.156 115 Y CA 1.163 59.080 58.100 -0.306 0.000 1.182 115 Y CB -1.072 37.274 38.460 -0.191 0.000 0.979 115 Y HN 0.146 nan 8.280 nan 0.000 0.521 116 G N -2.511 106.172 108.800 -0.195 0.000 2.880 116 G HA2 -0.022 3.979 3.960 0.067 0.000 0.209 116 G HA3 -0.022 3.979 3.960 0.067 0.000 0.209 116 G C -0.339 174.567 174.900 0.009 0.000 1.157 116 G CA 0.239 45.347 45.100 0.013 0.000 0.779 116 G HN 0.652 nan 8.290 nan 0.000 0.539 117 H N -1.036 118.049 119.070 0.025 0.000 2.839 117 H HA -0.140 4.456 4.556 0.067 0.000 0.298 117 H C 0.411 175.725 175.328 -0.023 0.000 1.224 117 H CA 0.166 56.218 56.048 0.006 0.000 1.144 117 H CB -2.153 27.610 29.762 0.002 0.000 1.372 117 H HN 0.374 nan 8.280 nan 0.000 0.408 118 I N 0.698 121.290 120.570 0.037 0.000 2.710 118 I HA 0.068 4.278 4.170 0.067 0.000 0.286 118 I C 1.348 177.505 176.117 0.066 0.000 1.181 118 I CA 0.447 61.781 61.300 0.056 0.000 1.430 118 I CB 0.505 38.589 38.000 0.140 0.000 1.367 118 I HN 0.509 nan 8.210 nan 0.000 0.577 119 A N 5.700 128.554 122.820 0.056 0.000 2.531 119 A HA 0.046 4.406 4.320 0.067 0.000 0.236 119 A C 1.058 178.675 177.584 0.055 0.000 1.062 119 A CA 0.040 52.108 52.037 0.052 0.000 0.760 119 A CB -0.110 18.912 19.000 0.036 0.000 0.995 119 A HN 0.968 nan 8.150 nan 0.000 0.501 120 N N -0.556 118.173 118.700 0.049 0.000 2.909 120 N HA -0.220 4.561 4.740 0.067 0.000 0.242 120 N C 0.565 176.100 175.510 0.040 0.000 0.975 120 N CA 1.228 54.303 53.050 0.043 0.000 0.921 120 N CB -1.421 37.090 38.487 0.040 0.000 1.112 120 N HN 0.787 nan 8.380 nan 0.000 0.581 121 I N 1.602 122.196 120.570 0.042 0.000 2.286 121 I HA -0.161 4.050 4.170 0.067 0.000 0.248 121 I C 1.652 177.779 176.117 0.017 0.000 1.115 121 I CA 1.759 63.074 61.300 0.025 0.000 1.392 121 I CB -0.046 37.960 38.000 0.010 0.000 1.065 121 I HN 0.046 nan 8.210 nan 0.000 0.418 122 D N 0.648 121.064 120.400 0.027 0.000 2.097 122 D HA -0.189 4.491 4.640 0.067 0.000 0.195 122 D C 1.814 178.126 176.300 0.020 0.000 0.989 122 D CA 1.513 55.528 54.000 0.026 0.000 0.827 122 D CB -0.421 40.404 40.800 0.040 0.000 0.966 122 D HN 0.367 nan 8.370 nan 0.000 0.456 123 D N 0.031 120.445 120.400 0.023 0.000 2.144 123 D HA -0.056 4.624 4.640 0.067 0.000 0.199 123 D C 2.243 178.552 176.300 0.014 0.000 0.984 123 D CA 0.303 54.315 54.000 0.019 0.000 0.834 123 D CB -0.185 40.627 40.800 0.021 0.000 0.955 123 D HN 0.257 nan 8.370 nan 0.000 0.465 124 I N 0.386 120.965 120.570 0.015 0.000 2.202 124 I HA -0.207 4.004 4.170 0.067 0.000 0.242 124 I C 2.319 178.436 176.117 -0.000 0.000 1.091 124 I CA 0.682 61.988 61.300 0.009 0.000 1.368 124 I CB -0.091 37.916 38.000 0.013 0.000 1.058 124 I HN -0.042 nan 8.210 nan 0.000 0.410 125 I N 0.829 121.397 120.570 -0.004 0.000 2.208 125 I HA -0.290 3.921 4.170 0.067 0.000 0.245 125 I C 2.407 178.520 176.117 -0.006 0.000 1.097 125 I CA 1.411 62.704 61.300 -0.012 0.000 1.363 125 I CB -0.381 37.609 38.000 -0.017 0.000 1.051 125 I HN 0.193 nan 8.210 nan 0.000 0.413 126 A N 0.233 123.054 122.820 0.001 0.000 2.238 126 A HA 0.276 4.636 4.320 0.067 0.000 0.208 126 A C 1.815 179.401 177.584 0.004 0.000 1.177 126 A CA 0.742 52.781 52.037 0.004 0.000 0.804 126 A CB -0.753 18.252 19.000 0.009 0.000 0.823 126 A HN 0.603 nan 8.150 nan 0.000 0.482 127 G N -0.339 108.462 108.800 0.003 0.000 2.155 127 G HA2 -0.315 3.686 3.960 0.067 0.000 0.257 127 G HA3 -0.315 3.686 3.960 0.067 0.000 0.257 127 G C 0.849 175.753 174.900 0.006 0.000 0.983 127 G CA 0.863 45.965 45.100 0.003 0.000 0.676 127 G HN 0.586 nan 8.290 nan 0.000 0.528 128 K N -0.569 119.836 120.400 0.009 0.000 2.314 128 K HA 0.144 4.505 4.320 0.067 0.000 0.198 128 K C 1.003 177.610 176.600 0.012 0.000 1.045 128 K CA 0.705 56.998 56.287 0.010 0.000 0.988 128 K CB 0.280 32.787 32.500 0.012 0.000 0.783 128 K HN 0.344 nan 8.250 nan 0.000 0.484 129 K N 0.943 121.351 120.400 0.013 0.000 2.469 129 K HA 0.306 4.667 4.320 0.067 0.000 0.254 129 K C -2.802 173.807 176.600 0.016 0.000 0.939 129 K CA -2.209 54.088 56.287 0.016 0.000 0.812 129 K CB 2.200 34.712 32.500 0.020 0.000 1.301 129 K HN -0.188 nan 8.250 nan 0.000 0.433 130 P HA 0.030 nan 4.420 nan 0.000 0.274 130 P C -0.053 177.261 177.300 0.022 0.000 1.237 130 P CA -0.092 63.019 63.100 0.018 0.000 0.793 130 P CB 0.963 32.676 31.700 0.021 0.000 0.977 131 A N 2.020 124.851 122.820 0.019 0.000 2.070 131 A HA -0.126 4.235 4.320 0.067 0.000 0.220 131 A C 1.816 179.426 177.584 0.043 0.000 1.159 131 A CA 2.045 54.095 52.037 0.022 0.000 0.656 131 A CB -1.827 17.173 19.000 -0.000 0.000 0.800 131 A HN 0.679 nan 8.150 nan 0.000 0.453 132 T N -2.748 111.834 114.554 0.046 0.000 3.098 132 T HA -0.053 4.337 4.350 0.067 0.000 0.266 132 T C 0.735 175.469 174.700 0.058 0.000 1.145 132 T CA 1.255 63.391 62.100 0.060 0.000 1.092 132 T CB -0.253 68.649 68.868 0.056 0.000 0.908 132 T HN 0.311 nan 8.240 nan 0.000 0.526 133 D N 0.341 120.770 120.400 0.049 0.000 2.340 133 D HA 0.224 4.905 4.640 0.067 0.000 0.220 133 D C 0.456 176.789 176.300 0.055 0.000 1.039 133 D CA -0.264 53.763 54.000 0.045 0.000 0.866 133 D CB -0.256 40.566 40.800 0.036 0.000 0.913 133 D HN 0.320 nan 8.370 nan 0.000 0.523 134 L N 0.737 122.003 121.223 0.071 0.000 2.514 134 L HA 0.209 4.590 4.340 0.067 0.000 0.280 134 L C 1.273 178.197 176.870 0.090 0.000 1.223 134 L CA 0.236 55.132 54.840 0.093 0.000 0.864 134 L CB 0.727 42.867 42.059 0.136 0.000 1.118 134 L HN 0.030 nan 8.230 nan 0.000 0.494 135 G N 5.436 114.287 108.800 0.084 0.000 3.180 135 G HA2 0.405 4.406 3.960 0.067 0.000 0.252 135 G HA3 0.405 4.406 3.960 0.067 0.000 0.252 135 G C -0.464 174.454 174.900 0.030 0.000 0.871 135 G CA 0.407 45.539 45.100 0.052 0.000 1.979 135 G HN 0.766 nan 8.290 nan 0.000 0.624 136 V N -1.853 118.074 119.914 0.022 0.000 2.789 136 V HA 0.954 5.115 4.120 0.067 0.000 0.311 136 V C -0.693 175.367 176.094 -0.058 0.000 1.073 136 V CA -1.422 60.814 62.300 -0.106 0.000 0.921 136 V CB 1.957 33.771 31.823 -0.014 0.000 1.009 136 V HN 0.535 nan 8.190 nan 0.000 0.426 137 K N 2.907 123.214 120.400 -0.155 0.000 2.536 137 K HA 0.902 5.263 4.320 0.067 0.000 0.269 137 K C -0.937 175.670 176.600 0.011 0.000 0.965 137 K CA -0.523 55.760 56.287 -0.007 0.000 0.860 137 K CB 2.450 34.949 32.500 -0.002 0.000 1.423 137 K HN 1.309 nan 8.250 nan 0.000 0.438 138 A N 2.982 125.861 122.820 0.099 0.000 2.279 138 A HA 0.352 4.713 4.320 0.067 0.000 0.306 138 A C 0.647 178.248 177.584 0.029 0.000 1.300 138 A CA -0.897 51.163 52.037 0.038 0.000 0.925 138 A CB -0.324 18.578 19.000 -0.164 0.000 1.152 138 A HN 0.782 nan 8.150 nan 0.000 0.544 139 L N 1.068 122.298 121.223 0.012 0.000 2.313 139 L HA 0.104 4.485 4.340 0.067 0.000 0.214 139 L C 0.502 177.395 176.870 0.040 0.000 1.119 139 L CA 0.850 55.706 54.840 0.025 0.000 0.809 139 L CB -0.495 41.572 42.059 0.013 0.000 0.933 139 L HN 0.924 nan 8.230 nan 0.000 0.449 140 D N -4.606 115.803 120.400 0.014 0.000 2.779 140 D HA 0.046 4.726 4.640 0.067 0.000 0.331 140 D C -0.020 176.213 176.300 -0.112 0.000 1.331 140 D CA -0.615 53.394 54.000 0.014 0.000 0.866 140 D CB 0.189 41.015 40.800 0.043 0.000 1.409 140 D HN -0.342 nan 8.370 nan 0.000 0.486 141 D N -1.421 118.893 120.400 -0.144 0.000 2.218 141 D HA -0.095 4.586 4.640 0.067 0.000 0.204 141 D C 0.539 176.574 176.300 -0.441 0.000 0.976 141 D CA 1.262 55.056 54.000 -0.344 0.000 0.853 141 D CB -0.069 40.471 40.800 -0.433 0.000 0.939 141 D HN 0.397 nan 8.370 nan 0.000 0.481 142 H N -1.162 117.924 119.070 0.027 0.000 2.512 142 H HA 0.302 4.899 4.556 0.068 0.000 0.276 142 H C -0.202 175.159 175.328 0.055 0.000 1.126 142 H CA 0.103 56.175 56.048 0.040 0.000 1.060 142 H CB 0.393 30.186 29.762 0.052 0.000 1.646 142 H HN -0.127 nan 8.280 nan 0.000 0.571 143 T N 1.421 116.032 114.554 0.095 0.000 2.965 143 T HA 0.192 4.583 4.350 0.067 0.000 0.306 143 T C -1.107 173.648 174.700 0.092 0.000 0.991 143 T CA -0.516 61.629 62.100 0.076 0.000 1.001 143 T CB 1.083 69.991 68.868 0.066 0.000 0.984 143 T HN 0.060 nan 8.240 nan 0.000 0.446 144 F N 2.955 122.866 119.950 -0.065 0.000 2.411 144 F HA 0.583 5.150 4.527 0.067 0.000 0.352 144 F C 0.079 175.907 175.800 0.048 0.000 1.123 144 F CA -1.107 56.853 58.000 -0.066 0.000 1.044 144 F CB 1.030 39.910 39.000 -0.200 0.000 1.135 144 F HN 0.499 nan 8.300 nan 0.000 0.461 145 E N 5.547 125.504 120.200 -0.405 0.000 2.176 145 E HA 0.557 4.948 4.350 0.067 0.000 0.267 145 E C -1.807 174.520 176.600 -0.454 0.000 0.893 145 E CA -0.734 55.486 56.400 -0.299 0.000 0.761 145 E CB 1.793 31.394 29.700 -0.165 0.000 1.133 145 E HN 0.502 nan 8.360 nan 0.000 0.409 146 V N 3.630 123.422 119.914 -0.202 0.000 2.417 146 V HA 0.366 4.526 4.120 0.067 0.000 0.291 146 V C -0.202 175.895 176.094 0.005 0.000 1.024 146 V CA -0.623 61.614 62.300 -0.105 0.000 0.861 146 V CB 1.876 33.795 31.823 0.160 0.000 0.985 146 V HN 0.710 nan 8.190 nan 0.000 0.436 147 T N 6.515 121.057 114.554 -0.020 0.000 2.770 147 T HA 0.647 5.037 4.350 0.067 0.000 0.283 147 T C -0.253 174.443 174.700 -0.007 0.000 0.988 147 T CA -0.288 61.809 62.100 -0.003 0.000 0.957 147 T CB 0.832 69.694 68.868 -0.011 0.000 0.930 147 T HN 0.349 nan 8.240 nan 0.000 0.443 148 L N 1.929 123.147 121.223 -0.008 0.000 2.387 148 L HA 0.469 4.850 4.340 0.067 0.000 0.266 148 L C 1.575 178.459 176.870 0.023 0.000 1.059 148 L CA -0.831 54.000 54.840 -0.013 0.000 0.801 148 L CB 1.269 43.295 42.059 -0.054 0.000 1.223 148 L HN 0.725 nan 8.230 nan 0.000 0.456 149 S N -1.271 114.456 115.700 0.046 0.000 2.558 149 S HA 0.085 4.596 4.470 0.067 0.000 0.217 149 S C 0.165 174.769 174.600 0.006 0.000 0.975 149 S CA -0.226 57.995 58.200 0.033 0.000 0.912 149 S CB -0.270 62.963 63.200 0.054 0.000 0.776 149 S HN 0.773 nan 8.310 nan 0.000 0.526 150 E N -0.401 119.796 120.200 -0.006 0.000 2.401 150 E HA 0.435 4.826 4.350 0.067 0.000 0.280 150 E C -3.553 173.053 176.600 0.011 0.000 1.039 150 E CA -2.607 53.777 56.400 -0.027 0.000 0.814 150 E CB 0.360 30.000 29.700 -0.100 0.000 1.275 150 E HN -0.067 nan 8.360 nan 0.000 0.448 151 P HA 0.080 nan 4.420 nan 0.000 0.267 151 P C -0.680 176.664 177.300 0.072 0.000 1.205 151 P CA -0.208 62.984 63.100 0.154 0.000 0.765 151 P CB 0.581 32.403 31.700 0.204 0.000 0.828 152 V N 6.768 126.764 119.914 0.136 0.000 2.380 152 V HA 0.181 4.342 4.120 0.067 0.000 0.272 152 V C -1.728 174.342 176.094 -0.040 0.000 1.011 152 V CA -1.274 60.952 62.300 -0.124 0.000 0.826 152 V CB 1.684 33.398 31.823 -0.182 0.000 1.040 152 V HN 0.400 nan 8.190 nan 0.000 0.441 153 P HA -0.084 nan 4.420 nan 0.000 0.221 153 P C 0.940 178.349 177.300 0.182 0.000 1.150 153 P CA 1.053 63.980 63.100 -0.289 0.000 0.800 153 P CB 0.003 31.299 31.700 -0.673 0.000 0.787 154 Y N -4.309 116.053 120.300 0.104 0.000 2.470 154 Y HA 0.332 4.922 4.550 0.067 0.000 0.284 154 Y C 1.693 177.442 175.900 -0.252 0.000 1.188 154 Y CA -1.086 56.983 58.100 -0.051 0.000 1.269 154 Y CB -1.494 36.942 38.460 -0.040 0.000 1.094 154 Y HN -0.205 nan 8.280 nan 0.000 0.518 155 F N 2.416 122.072 119.950 -0.491 0.000 2.091 155 F HA -0.290 4.279 4.527 0.071 0.000 0.299 155 F C 2.413 177.831 175.800 -0.638 0.000 1.103 155 F CA 1.857 59.453 58.000 -0.673 0.000 1.228 155 F CB -0.895 37.516 39.000 -0.983 0.000 0.984 155 F HN 0.304 nan 8.300 nan 0.000 0.477 156 Y N 0.226 120.094 120.300 -0.719 0.000 2.256 156 Y HA -0.164 4.423 4.550 0.062 0.000 0.288 156 Y C 2.042 177.733 175.900 -0.348 0.000 1.155 156 Y CA 1.536 59.312 58.100 -0.541 0.000 1.203 156 Y CB -1.586 36.767 38.460 -0.177 0.000 0.980 156 Y HN 0.057 nan 8.280 nan 0.000 0.530 157 K N 0.237 120.018 120.400 -1.032 0.000 2.152 157 K HA -0.130 4.231 4.320 0.067 0.000 0.206 157 K C 1.687 178.096 176.600 -0.318 0.000 1.048 157 K CA 1.584 57.559 56.287 -0.520 0.000 0.933 157 K CB -0.324 31.949 32.500 -0.378 0.000 0.721 157 K HN 0.281 nan 8.250 nan 0.000 0.447 158 L N 0.745 121.631 121.223 -0.562 0.000 2.275 158 L HA -0.102 4.279 4.340 0.067 0.000 0.215 158 L C 1.757 178.554 176.870 -0.122 0.000 1.119 158 L CA 1.312 55.888 54.840 -0.440 0.000 0.790 158 L CB -0.356 41.207 42.059 -0.826 0.000 0.919 158 L HN 0.149 nan 8.230 nan 0.000 0.443 159 L N -0.694 120.370 121.223 -0.265 0.000 2.622 159 L HA -0.056 4.324 4.340 0.067 0.000 0.233 159 L C 1.997 178.873 176.870 0.010 0.000 1.156 159 L CA 0.253 55.004 54.840 -0.149 0.000 0.866 159 L CB -0.638 41.234 42.059 -0.311 0.000 0.980 159 L HN 0.273 nan 8.230 nan 0.000 0.448 160 V N -4.626 115.329 119.914 0.067 0.000 3.573 160 V HA 0.003 4.163 4.120 0.067 0.000 0.270 160 V C 1.251 177.411 176.094 0.110 0.000 1.221 160 V CA 0.074 62.451 62.300 0.129 0.000 1.163 160 V CB -0.967 30.959 31.823 0.170 0.000 0.847 160 V HN 0.340 nan 8.190 nan 0.000 0.468 161 H N 1.386 120.433 119.070 -0.038 0.000 2.562 161 H HA 0.271 4.867 4.556 0.066 0.000 0.352 161 H C -1.857 173.323 175.328 -0.247 0.000 1.125 161 H CA -1.435 54.483 56.048 -0.218 0.000 1.379 161 H CB 2.210 31.687 29.762 -0.475 0.000 1.464 161 H HN 0.081 nan 8.280 nan 0.000 0.563 162 P HA -0.176 nan 4.420 nan 0.000 0.218 162 P C 1.545 178.651 177.300 -0.322 0.000 1.148 162 P CA 1.879 64.706 63.100 -0.456 0.000 0.822 162 P CB 0.122 31.512 31.700 -0.517 0.000 0.784 163 S N -0.828 114.646 115.700 -0.376 0.000 2.419 163 S HA -0.105 4.406 4.470 0.067 0.000 0.233 163 S C 1.565 176.135 174.600 -0.051 0.000 1.016 163 S CA 1.430 59.544 58.200 -0.143 0.000 0.974 163 S CB -1.590 61.477 63.200 -0.221 0.000 0.786 163 S HN 0.154 nan 8.310 nan 0.000 0.492 164 V N -1.117 118.747 119.914 -0.084 0.000 3.342 164 V HA 0.420 4.581 4.120 0.067 0.000 0.322 164 V C 0.391 176.698 176.094 0.356 0.000 1.370 164 V CA -0.628 61.655 62.300 -0.029 0.000 1.170 164 V CB -0.730 30.937 31.823 -0.260 0.000 1.101 164 V HN 0.273 nan 8.190 nan 0.000 0.442 165 S N 3.302 119.106 115.700 0.172 0.000 2.617 165 S HA 0.464 4.975 4.470 0.067 0.000 0.269 165 S C -2.214 172.403 174.600 0.027 0.000 1.292 165 S CA -0.527 57.770 58.200 0.163 0.000 1.010 165 S CB 1.099 64.359 63.200 0.100 0.000 0.944 165 S HN 0.502 nan 8.310 nan 0.000 0.536 166 P HA 0.327 nan 4.420 nan 0.000 0.277 166 P C -0.923 176.444 177.300 0.112 0.000 1.240 166 P CA -0.421 62.539 63.100 -0.233 0.000 0.798 166 P CB 0.816 32.130 31.700 -0.642 0.000 0.979 167 V N -1.566 118.395 119.914 0.078 0.000 2.914 167 V HA 0.677 4.838 4.120 0.067 0.000 0.314 167 V C -2.706 173.265 176.094 -0.205 0.000 1.084 167 V CA -3.016 59.223 62.300 -0.102 0.000 0.963 167 V CB 1.812 33.377 31.823 -0.430 0.000 1.025 167 V HN 0.363 nan 8.190 nan 0.000 0.432 168 P HA 0.271 nan 4.420 nan 0.000 0.284 168 P C 0.221 177.150 177.300 -0.618 0.000 1.343 168 P CA -0.294 62.314 63.100 -0.820 0.000 0.826 168 P CB 1.473 32.621 31.700 -0.920 0.000 0.956 169 K N 3.414 123.446 120.400 -0.614 0.000 2.074 169 K HA -0.195 4.165 4.320 0.067 0.000 0.209 169 K C 1.886 178.184 176.600 -0.502 0.000 1.048 169 K CA 2.384 58.185 56.287 -0.810 0.000 0.926 169 K CB -0.257 31.480 32.500 -1.271 0.000 0.713 169 K HN 0.424 nan 8.250 nan 0.000 0.444 170 S N 0.217 115.675 115.700 -0.403 0.000 2.370 170 S HA -0.152 4.359 4.470 0.067 0.000 0.226 170 S C 2.187 176.680 174.600 -0.179 0.000 1.033 170 S CA 1.138 59.182 58.200 -0.260 0.000 1.011 170 S CB -0.455 62.622 63.200 -0.205 0.000 0.852 170 S HN 0.431 nan 8.310 nan 0.000 0.457 171 A N 1.332 124.074 122.820 -0.131 0.000 1.897 171 A HA 0.152 4.512 4.320 0.067 0.000 0.215 171 A C 2.447 180.087 177.584 0.092 0.000 1.181 171 A CA 1.402 53.525 52.037 0.143 0.000 0.620 171 A CB -1.088 18.043 19.000 0.219 0.000 0.821 171 A HN 0.456 nan 8.150 nan 0.000 0.443 172 V N 0.160 119.895 119.914 -0.299 0.000 2.287 172 V HA -0.291 3.870 4.120 0.067 0.000 0.248 172 V C 2.450 178.488 176.094 -0.094 0.000 1.053 172 V CA 2.418 64.494 62.300 -0.373 0.000 1.027 172 V CB -0.802 30.703 31.823 -0.529 0.000 0.646 172 V HN 0.637 nan 8.190 nan 0.000 0.447 173 E N -0.303 119.817 120.200 -0.135 0.000 2.072 173 E HA -0.241 4.149 4.350 0.067 0.000 0.191 173 E C 2.314 178.837 176.600 -0.129 0.000 0.985 173 E CA 1.320 57.658 56.400 -0.103 0.000 0.801 173 E CB -0.111 29.509 29.700 -0.134 0.000 0.750 173 E HN 0.524 nan 8.360 nan 0.000 0.452 174 K N -0.056 120.207 120.400 -0.227 0.000 2.103 174 K HA -0.080 4.280 4.320 0.067 0.000 0.204 174 K C 1.162 177.449 176.600 -0.521 0.000 1.052 174 K CA 1.057 57.069 56.287 -0.458 0.000 0.945 174 K CB 0.124 32.191 32.500 -0.722 0.000 0.722 174 K HN 0.038 nan 8.250 nan 0.000 0.443 175 F N 0.116 120.106 119.950 0.068 0.000 2.704 175 F HA 0.305 4.872 4.527 0.068 0.000 0.304 175 F C 1.410 177.297 175.800 0.145 0.000 1.094 175 F CA 0.275 58.343 58.000 0.113 0.000 1.275 175 F CB 0.430 39.527 39.000 0.160 0.000 1.073 175 F HN 0.280 nan 8.300 nan 0.000 0.586 176 G N 1.993 110.959 108.800 0.277 0.000 2.583 176 G HA2 -0.488 3.512 3.960 0.067 0.000 0.292 176 G HA3 -0.488 3.512 3.960 0.067 0.000 0.292 176 G C 0.771 175.897 174.900 0.376 0.000 1.203 176 G CA 0.794 46.042 45.100 0.246 0.000 0.987 176 G HN 0.451 nan 8.290 nan 0.000 0.554 177 D N 0.200 120.754 120.400 0.258 0.000 2.351 177 D HA 0.017 4.697 4.640 0.067 0.000 0.216 177 D C 1.763 178.158 176.300 0.159 0.000 0.968 177 D CA 1.685 55.816 54.000 0.218 0.000 0.899 177 D CB -0.038 40.837 40.800 0.124 0.000 0.907 177 D HN 0.563 nan 8.370 nan 0.000 0.514 178 K N 0.128 120.641 120.400 0.189 0.000 2.410 178 K HA 0.075 4.436 4.320 0.067 0.000 0.200 178 K C 1.100 177.774 176.600 0.124 0.000 1.023 178 K CA -0.197 56.153 56.287 0.104 0.000 1.149 178 K CB -0.076 32.486 32.500 0.102 0.000 0.859 178 K HN 0.457 nan 8.250 nan 0.000 0.514 179 W N 1.070 122.448 121.300 0.130 0.000 2.392 179 W HA -0.148 4.551 4.660 0.066 0.000 0.279 179 W C 0.955 177.514 176.519 0.067 0.000 1.225 179 W CA 1.545 58.960 57.345 0.116 0.000 1.233 179 W CB -0.892 28.673 29.460 0.174 0.000 1.122 179 W HN -0.034 nan 8.180 nan 0.000 0.561 180 T N -0.815 113.418 114.554 -0.535 0.000 3.148 180 T HA -0.002 4.388 4.350 0.067 0.000 0.253 180 T C 0.907 175.564 174.700 -0.072 0.000 1.134 180 T CA 0.110 61.908 62.100 -0.503 0.000 1.051 180 T CB -0.190 68.315 68.868 -0.605 0.000 0.959 180 T HN -0.069 nan 8.240 nan 0.000 0.525 181 Q N 1.818 121.589 119.800 -0.048 0.000 2.432 181 Q HA 0.189 4.570 4.340 0.067 0.000 0.264 181 Q C -1.610 174.383 176.000 -0.010 0.000 1.035 181 Q CA -2.047 53.753 55.803 -0.005 0.000 0.908 181 Q CB 0.955 29.643 28.738 -0.083 0.000 1.280 181 Q HN 0.132 nan 8.270 nan 0.000 0.455 182 P HA -0.193 nan 4.420 nan 0.000 0.216 182 P C 0.626 177.912 177.300 -0.023 0.000 1.153 182 P CA 2.169 65.281 63.100 0.021 0.000 0.858 182 P CB 0.184 31.908 31.700 0.040 0.000 0.789 183 A N -1.156 121.625 122.820 -0.064 0.000 2.066 183 A HA -0.126 4.234 4.320 0.067 0.000 0.218 183 A C 1.875 179.356 177.584 -0.173 0.000 1.157 183 A CA 1.469 53.450 52.037 -0.093 0.000 0.670 183 A CB -0.761 18.179 19.000 -0.100 0.000 0.804 183 A HN 0.165 nan 8.150 nan 0.000 0.453 184 N N -1.088 117.458 118.700 -0.256 0.000 2.407 184 N HA 0.169 4.950 4.740 0.067 0.000 0.182 184 N C 0.510 175.975 175.510 -0.075 0.000 1.079 184 N CA -0.177 52.620 53.050 -0.420 0.000 0.882 184 N CB 0.104 38.056 38.487 -0.891 0.000 1.106 184 N HN 0.503 nan 8.380 nan 0.000 0.461 185 I N 1.991 122.573 120.570 0.020 0.000 2.813 185 I HA -0.044 4.167 4.170 0.067 0.000 0.287 185 I C -0.645 175.586 176.117 0.190 0.000 1.196 185 I CA 0.135 61.544 61.300 0.181 0.000 1.421 185 I CB 0.647 38.697 38.000 0.083 0.000 1.365 185 I HN -0.290 nan 8.210 nan 0.000 0.591 186 V N 6.170 126.261 119.914 0.296 0.000 2.487 186 V HA 0.473 4.633 4.120 0.067 0.000 0.298 186 V C -0.064 176.276 176.094 0.410 0.000 1.028 186 V CA -0.426 62.014 62.300 0.234 0.000 0.860 186 V CB 1.769 33.616 31.823 0.039 0.000 0.991 186 V HN 0.883 nan 8.190 nan 0.000 0.427 187 T N 0.162 114.937 114.554 0.369 0.000 2.906 187 T HA 0.474 4.864 4.350 0.067 0.000 0.295 187 T C 0.141 175.028 174.700 0.312 0.000 1.075 187 T CA -0.674 61.573 62.100 0.244 0.000 1.005 187 T CB 2.125 70.829 68.868 -0.273 0.000 1.136 187 T HN 0.622 nan 8.240 nan 0.000 0.498 188 N N -0.397 118.345 118.700 0.071 0.000 2.170 188 N HA 0.216 4.997 4.740 0.067 0.000 0.222 188 N C 0.626 176.126 175.510 -0.017 0.000 1.218 188 N CA -0.308 52.696 53.050 -0.076 0.000 0.889 188 N CB 0.411 38.543 38.487 -0.591 0.000 1.083 188 N HN 0.816 nan 8.380 nan 0.000 0.520 189 G N 0.129 108.842 108.800 -0.146 0.000 2.509 189 G HA2 0.504 4.504 3.960 0.067 0.000 0.269 189 G HA3 0.504 4.504 3.960 0.067 0.000 0.269 189 G C 0.839 175.322 174.900 -0.695 0.000 1.416 189 G CA 0.043 44.951 45.100 -0.320 0.000 1.052 189 G HN 0.212 nan 8.290 nan 0.000 0.542 190 A N -1.795 120.419 122.820 -1.010 0.000 2.067 190 A HA 0.284 4.645 4.320 0.067 0.000 0.219 190 A C 0.431 177.472 177.584 -0.905 0.000 1.158 190 A CA 0.902 52.260 52.037 -1.132 0.000 0.661 190 A CB -0.339 18.117 19.000 -0.907 0.000 0.801 190 A HN 0.453 nan 8.150 nan 0.000 0.452 191 Y N -1.179 118.975 120.300 -0.243 0.000 2.630 191 Y HA 0.591 5.179 4.550 0.063 0.000 0.337 191 Y C 0.196 176.014 175.900 -0.136 0.000 1.051 191 Y CA -0.972 57.045 58.100 -0.139 0.000 1.121 191 Y CB 1.526 39.924 38.460 -0.104 0.000 1.299 191 Y HN -0.064 nan 8.280 nan 0.000 0.498 192 K N 0.901 121.340 120.400 0.065 0.000 2.395 192 K HA 0.517 4.878 4.320 0.067 0.000 0.247 192 K C -1.829 174.781 176.600 0.017 0.000 0.973 192 K CA -1.215 55.077 56.287 0.008 0.000 0.828 192 K CB 2.570 35.084 32.500 0.023 0.000 1.272 192 K HN 0.381 nan 8.250 nan 0.000 0.439 193 L N 2.411 123.624 121.223 -0.017 0.000 2.313 193 L HA 0.164 4.544 4.340 0.067 0.000 0.282 193 L C 0.967 177.849 176.870 0.021 0.000 1.092 193 L CA 0.675 55.506 54.840 -0.016 0.000 0.831 193 L CB 0.622 42.657 42.059 -0.040 0.000 1.159 193 L HN 0.712 nan 8.230 nan 0.000 0.442 194 K N 3.310 123.729 120.400 0.031 0.000 2.190 194 K HA 0.220 4.581 4.320 0.067 0.000 0.202 194 K C -0.163 176.469 176.600 0.052 0.000 1.045 194 K CA 0.274 56.585 56.287 0.040 0.000 0.976 194 K CB 0.436 32.959 32.500 0.040 0.000 0.849 194 K HN 0.706 nan 8.250 nan 0.000 0.468 195 N N -0.489 118.251 118.700 0.068 0.000 2.235 195 N HA 0.105 4.885 4.740 0.067 0.000 0.293 195 N C -2.101 173.523 175.510 0.190 0.000 1.083 195 N CA -0.465 52.645 53.050 0.101 0.000 0.801 195 N CB 1.617 40.149 38.487 0.074 0.000 1.559 195 N HN 0.105 nan 8.380 nan 0.000 0.472 196 W N 3.274 124.556 121.300 -0.029 0.000 2.591 196 W HA 0.446 5.148 4.660 0.071 0.000 0.311 196 W C -1.894 174.608 176.519 -0.029 0.000 1.003 196 W CA -0.697 56.628 57.345 -0.033 0.000 1.332 196 W CB 0.383 29.813 29.460 -0.051 0.000 1.272 196 W HN 0.085 nan 8.180 nan 0.000 0.412 197 V N 7.016 127.093 119.914 0.271 0.000 2.311 197 V HA 0.223 4.383 4.120 0.067 0.000 0.275 197 V C 0.321 176.472 176.094 0.095 0.000 1.022 197 V CA -0.958 61.387 62.300 0.076 0.000 0.830 197 V CB 1.034 32.893 31.823 0.060 0.000 1.012 197 V HN 0.196 nan 8.190 nan 0.000 0.452 198 V N 5.766 125.639 119.914 -0.069 0.000 2.599 198 V HA 0.045 4.206 4.120 0.067 0.000 0.300 198 V C 1.222 177.343 176.094 0.046 0.000 1.034 198 V CA 0.739 63.035 62.300 -0.006 0.000 1.115 198 V CB -0.329 31.406 31.823 -0.147 0.000 0.934 198 V HN 1.146 nan 8.190 nan 0.000 0.485 199 N N 2.321 121.077 118.700 0.093 0.000 2.741 199 N HA -0.202 4.579 4.740 0.067 0.000 0.251 199 N C 0.833 176.372 175.510 0.048 0.000 1.112 199 N CA 1.198 54.283 53.050 0.059 0.000 0.750 199 N CB -0.414 38.093 38.487 0.032 0.000 1.119 199 N HN 0.889 nan 8.380 nan 0.000 0.561 200 E N -0.593 119.648 120.200 0.068 0.000 3.441 200 E HA 0.213 4.604 4.350 0.067 0.000 0.195 200 E C 0.175 176.812 176.600 0.061 0.000 1.172 200 E CA 0.154 56.585 56.400 0.051 0.000 1.457 200 E CB 0.790 30.515 29.700 0.041 0.000 1.388 200 E HN 0.368 nan 8.360 nan 0.000 0.551 201 R N 0.121 120.680 120.500 0.098 0.000 2.709 201 R HA 0.459 4.840 4.340 0.067 0.000 0.270 201 R C -1.746 174.632 176.300 0.130 0.000 1.038 201 R CA -0.629 55.524 56.100 0.088 0.000 0.872 201 R CB 0.554 30.885 30.300 0.051 0.000 1.259 201 R HN -0.061 nan 8.270 nan 0.000 0.473 202 I N 2.205 122.820 120.570 0.074 0.000 2.389 202 I HA 0.378 4.589 4.170 0.067 0.000 0.288 202 I C -0.742 175.398 176.117 0.038 0.000 0.999 202 I CA -1.214 60.096 61.300 0.017 0.000 1.129 202 I CB 2.229 40.137 38.000 -0.154 0.000 1.288 202 I HN 0.319 nan 8.210 nan 0.000 0.444 203 V N 7.427 127.361 119.914 0.033 0.000 2.409 203 V HA 0.462 4.622 4.120 0.067 0.000 0.291 203 V C -0.029 176.075 176.094 0.016 0.000 1.020 203 V CA -0.566 61.746 62.300 0.020 0.000 0.848 203 V CB 1.722 33.559 31.823 0.023 0.000 0.990 203 V HN 0.472 nan 8.190 nan 0.000 0.430 204 L N 5.139 126.364 121.223 0.005 0.000 2.325 204 L HA 0.722 5.103 4.340 0.067 0.000 0.278 204 L C 0.051 176.979 176.870 0.097 0.000 1.023 204 L CA -0.518 54.339 54.840 0.028 0.000 0.811 204 L CB 1.863 43.903 42.059 -0.031 0.000 1.249 204 L HN 0.796 nan 8.230 nan 0.000 0.431 205 E N 2.288 122.595 120.200 0.178 0.000 2.312 205 E HA 0.421 4.811 4.350 0.067 0.000 0.267 205 E C -0.808 175.938 176.600 0.243 0.000 0.894 205 E CA -1.121 55.400 56.400 0.201 0.000 0.773 205 E CB 2.152 31.910 29.700 0.097 0.000 1.241 205 E HN 0.436 nan 8.360 nan 0.000 0.432 206 R N 1.666 122.258 120.500 0.152 0.000 2.619 206 R HA -0.079 4.302 4.340 0.067 0.000 0.268 206 R C -0.651 175.575 176.300 -0.123 0.000 0.990 206 R CA 0.137 56.143 56.100 -0.156 0.000 1.092 206 R CB 0.263 30.504 30.300 -0.098 0.000 0.935 206 R HN 0.603 nan 8.270 nan 0.000 0.415 207 N N 5.273 123.845 118.700 -0.214 0.000 2.485 207 N HA 0.208 4.989 4.740 0.067 0.000 0.243 207 N C -2.143 173.347 175.510 -0.034 0.000 0.987 207 N CA -2.410 50.589 53.050 -0.085 0.000 0.940 207 N CB 1.622 40.051 38.487 -0.097 0.000 1.122 207 N HN 0.359 nan 8.380 nan 0.000 0.509 208 P HA -0.063 nan 4.420 nan 0.000 0.225 208 P C 0.689 178.013 177.300 0.040 0.000 1.148 208 P CA 0.946 64.054 63.100 0.013 0.000 0.779 208 P CB 0.428 32.139 31.700 0.019 0.000 0.780 209 Q N -2.077 117.764 119.800 0.069 0.000 2.451 209 Q HA -0.021 4.360 4.340 0.067 0.000 0.206 209 Q C 0.414 176.488 176.000 0.124 0.000 0.947 209 Q CA 0.032 55.893 55.803 0.096 0.000 0.937 209 Q CB -0.691 28.121 28.738 0.123 0.000 1.025 209 Q HN 0.343 nan 8.270 nan 0.000 0.511 210 Y N 2.279 122.552 120.300 -0.045 0.000 2.717 210 Y HA -0.176 4.412 4.550 0.063 0.000 0.330 210 Y C 1.350 177.211 175.900 -0.065 0.000 1.217 210 Y CA -0.538 57.506 58.100 -0.093 0.000 1.506 210 Y CB 0.306 38.628 38.460 -0.230 0.000 1.268 210 Y HN 0.241 nan 8.280 nan 0.000 0.561 211 W N 4.048 125.024 121.300 -0.541 0.000 2.350 211 W HA -0.194 4.505 4.660 0.064 0.000 0.289 211 W C 0.198 176.401 176.519 -0.526 0.000 1.215 211 W CA 1.376 58.446 57.345 -0.459 0.000 1.236 211 W CB -0.336 28.907 29.460 -0.361 0.000 1.130 211 W HN 0.534 nan 8.180 nan 0.000 0.541 212 D N 0.670 119.992 120.400 -1.797 0.000 2.427 212 D HA -0.012 4.669 4.640 0.067 0.000 0.224 212 D C 1.444 177.431 176.300 -0.521 0.000 1.157 212 D CA 0.019 53.295 54.000 -1.208 0.000 0.828 212 D CB -0.625 39.091 40.800 -1.807 0.000 0.974 212 D HN 0.014 nan 8.370 nan 0.000 0.498 213 N N 0.427 118.939 118.700 -0.313 0.000 2.137 213 N HA -0.219 4.561 4.740 0.067 0.000 0.190 213 N C 1.677 177.144 175.510 -0.072 0.000 1.017 213 N CA 1.702 54.708 53.050 -0.074 0.000 0.859 213 N CB -0.014 38.453 38.487 -0.034 0.000 1.002 213 N HN 0.164 nan 8.380 nan 0.000 0.428 214 A N 0.167 122.939 122.820 -0.081 0.000 2.024 214 A HA -0.124 4.237 4.320 0.067 0.000 0.220 214 A C 1.863 179.421 177.584 -0.044 0.000 1.164 214 A CA 1.312 53.320 52.037 -0.047 0.000 0.643 214 A CB -0.283 18.696 19.000 -0.036 0.000 0.806 214 A HN 0.398 nan 8.150 nan 0.000 0.451 215 K N -0.364 119.997 120.400 -0.064 0.000 2.393 215 K HA 0.059 4.419 4.320 0.067 0.000 0.193 215 K C -0.195 176.400 176.600 -0.008 0.000 1.026 215 K CA 0.162 56.427 56.287 -0.037 0.000 1.064 215 K CB 0.106 32.575 32.500 -0.052 0.000 0.833 215 K HN 0.299 nan 8.250 nan 0.000 0.521 216 T N 1.133 115.679 114.554 -0.014 0.000 2.870 216 T HA 0.078 4.469 4.350 0.067 0.000 0.300 216 T C 1.333 176.056 174.700 0.039 0.000 0.989 216 T CA -0.192 61.913 62.100 0.009 0.000 1.139 216 T CB 1.768 70.589 68.868 -0.077 0.000 0.920 216 T HN -0.191 nan 8.240 nan 0.000 0.537 217 V N 2.956 122.928 119.914 0.097 0.000 2.806 217 V HA 0.164 4.325 4.120 0.067 0.000 0.239 217 V C 1.026 177.199 176.094 0.133 0.000 1.113 217 V CA 0.204 62.570 62.300 0.110 0.000 1.137 217 V CB 0.111 32.023 31.823 0.148 0.000 0.865 217 V HN 0.724 nan 8.190 nan 0.000 0.482 218 I N 2.781 123.462 120.570 0.185 0.000 2.598 218 I HA 0.056 4.267 4.170 0.067 0.000 0.284 218 I C 0.999 177.256 176.117 0.235 0.000 1.140 218 I CA 0.568 61.980 61.300 0.186 0.000 1.420 218 I CB 0.382 38.483 38.000 0.169 0.000 1.387 218 I HN 0.334 nan 8.210 nan 0.000 0.553 219 N N 4.453 123.248 118.700 0.159 0.000 2.395 219 N HA -0.028 4.752 4.740 0.067 0.000 0.175 219 N C 0.472 176.093 175.510 0.185 0.000 1.029 219 N CA 0.542 53.682 53.050 0.149 0.000 0.897 219 N CB 0.567 39.102 38.487 0.079 0.000 0.991 219 N HN 0.653 nan 8.380 nan 0.000 0.441 220 Q N 0.531 120.406 119.800 0.125 0.000 2.295 220 Q HA 0.393 4.774 4.340 0.067 0.000 0.268 220 Q C -2.118 173.848 176.000 -0.057 0.000 1.010 220 Q CA -0.413 55.424 55.803 0.055 0.000 0.856 220 Q CB 2.392 31.149 28.738 0.031 0.000 1.349 220 Q HN -0.108 nan 8.270 nan 0.000 0.412 221 V N 2.935 122.751 119.914 -0.163 0.000 2.656 221 V HA 0.715 4.875 4.120 0.067 0.000 0.307 221 V C -1.218 174.735 176.094 -0.235 0.000 1.051 221 V CA -0.018 62.115 62.300 -0.279 0.000 0.893 221 V CB 2.337 33.878 31.823 -0.471 0.000 0.999 221 V HN 0.901 nan 8.190 nan 0.000 0.426 222 T N 6.461 120.859 114.554 -0.261 0.000 2.823 222 T HA 0.607 4.997 4.350 0.067 0.000 0.279 222 T C -1.408 173.109 174.700 -0.306 0.000 0.998 222 T CA 0.043 62.041 62.100 -0.171 0.000 0.994 222 T CB 1.037 69.845 68.868 -0.100 0.000 0.960 222 T HN 0.565 nan 8.240 nan 0.000 0.448 223 Y N 2.371 122.605 120.300 -0.111 0.000 2.335 223 Y HA 0.548 5.137 4.550 0.065 0.000 0.338 223 Y C 0.089 175.935 175.900 -0.090 0.000 0.977 223 Y CA -0.917 57.114 58.100 -0.116 0.000 1.114 223 Y CB 0.967 39.333 38.460 -0.156 0.000 1.182 223 Y HN 0.375 nan 8.280 nan 0.000 0.463 224 L N 5.968 127.215 121.223 0.039 0.000 2.344 224 L HA 0.511 4.891 4.340 0.067 0.000 0.272 224 L C -1.985 174.875 176.870 -0.017 0.000 1.035 224 L CA -1.982 52.864 54.840 0.010 0.000 0.807 224 L CB 1.913 43.965 42.059 -0.011 0.000 1.237 224 L HN 0.421 nan 8.230 nan 0.000 0.442 225 P HA 0.257 nan 4.420 nan 0.000 0.240 225 P C -0.367 176.884 177.300 -0.080 0.000 1.854 225 P CA -0.060 63.004 63.100 -0.060 0.000 1.081 225 P CB -0.045 31.654 31.700 -0.003 0.000 1.646 226 I N 1.106 121.623 120.570 -0.088 0.000 2.322 226 I HA 0.051 4.261 4.170 0.067 0.000 0.292 226 I C 1.662 177.713 176.117 -0.110 0.000 1.060 226 I CA 0.020 61.278 61.300 -0.070 0.000 1.309 226 I CB 0.974 38.952 38.000 -0.038 0.000 1.415 226 I HN 0.008 nan 8.210 nan 0.000 0.492 227 S N 2.256 117.901 115.700 -0.091 0.000 2.501 227 S HA -0.023 4.488 4.470 0.067 0.000 0.220 227 S C 1.039 175.604 174.600 -0.057 0.000 0.997 227 S CA -0.286 57.853 58.200 -0.102 0.000 0.919 227 S CB 0.083 63.241 63.200 -0.069 0.000 0.778 227 S HN 0.592 nan 8.310 nan 0.000 0.523 228 S N 1.373 117.053 115.700 -0.033 0.000 2.430 228 S HA 0.236 4.746 4.470 0.067 0.000 0.282 228 S C 0.666 175.254 174.600 -0.020 0.000 1.186 228 S CA -0.535 57.653 58.200 -0.019 0.000 1.060 228 S CB 0.628 63.825 63.200 -0.006 0.000 0.966 228 S HN 0.369 nan 8.310 nan 0.000 0.501 229 E N 3.525 123.710 120.200 -0.025 0.000 2.150 229 E HA -0.082 4.309 4.350 0.067 0.000 0.193 229 E C 1.901 178.493 176.600 -0.012 0.000 0.985 229 E CA 1.012 57.402 56.400 -0.017 0.000 0.814 229 E CB -0.142 29.537 29.700 -0.036 0.000 0.752 229 E HN 0.587 nan 8.360 nan 0.000 0.466 230 V N 0.728 120.636 119.914 -0.011 0.000 2.295 230 V HA -0.282 3.879 4.120 0.067 0.000 0.246 230 V C 2.115 178.213 176.094 0.007 0.000 1.049 230 V CA 2.235 64.535 62.300 -0.001 0.000 1.024 230 V CB -0.754 31.069 31.823 -0.000 0.000 0.648 230 V HN 0.353 nan 8.190 nan 0.000 0.447 231 T N -0.635 113.922 114.554 0.005 0.000 2.821 231 T HA -0.197 4.194 4.350 0.067 0.000 0.267 231 T C 1.776 176.487 174.700 0.018 0.000 1.046 231 T CA 1.610 63.717 62.100 0.011 0.000 1.139 231 T CB -0.368 68.503 68.868 0.005 0.000 0.871 231 T HN 0.526 nan 8.240 nan 0.000 0.454 232 D N 1.090 121.497 120.400 0.012 0.000 2.084 232 D HA -0.091 4.590 4.640 0.067 0.000 0.194 232 D C 2.159 178.483 176.300 0.041 0.000 0.990 232 D CA 0.826 54.839 54.000 0.022 0.000 0.826 232 D CB -0.474 40.334 40.800 0.013 0.000 0.971 232 D HN 0.176 nan 8.370 nan 0.000 0.453 233 V N 1.189 121.112 119.914 0.015 0.000 2.343 233 V HA -0.239 3.922 4.120 0.067 0.000 0.247 233 V C 2.233 178.378 176.094 0.085 0.000 1.051 233 V CA 1.708 64.019 62.300 0.018 0.000 1.036 233 V CB -0.635 31.180 31.823 -0.014 0.000 0.654 233 V HN 0.241 nan 8.190 nan 0.000 0.451 234 N N 0.523 119.257 118.700 0.057 0.000 2.069 234 N HA -0.163 4.618 4.740 0.067 0.000 0.191 234 N C 1.943 177.496 175.510 0.071 0.000 1.031 234 N CA 1.481 54.565 53.050 0.057 0.000 0.852 234 N CB -0.364 38.143 38.487 0.034 0.000 1.018 234 N HN 0.483 nan 8.380 nan 0.000 0.423 235 R N -0.746 119.797 120.500 0.071 0.000 2.236 235 R HA -0.034 4.347 4.340 0.067 0.000 0.208 235 R C 1.791 178.145 176.300 0.089 0.000 1.036 235 R CA 0.292 56.429 56.100 0.062 0.000 1.001 235 R CB -0.183 30.143 30.300 0.042 0.000 0.896 235 R HN 0.344 nan 8.270 nan 0.000 0.464 236 Y N 1.478 121.768 120.300 -0.016 0.000 2.153 236 Y HA -0.105 4.484 4.550 0.065 0.000 0.289 236 Y C 1.982 177.874 175.900 -0.013 0.000 1.127 236 Y CA 1.359 59.442 58.100 -0.028 0.000 1.131 236 Y CB 0.074 38.501 38.460 -0.054 0.000 0.995 236 Y HN -0.212 nan 8.280 nan 0.000 0.505 237 R N -0.015 120.611 120.500 0.209 0.000 2.189 237 R HA -0.092 4.289 4.340 0.067 0.000 0.223 237 R C 2.384 178.696 176.300 0.021 0.000 1.092 237 R CA 1.188 57.348 56.100 0.099 0.000 0.989 237 R CB -0.428 29.951 30.300 0.132 0.000 0.876 237 R HN 0.498 nan 8.270 nan 0.000 0.457 238 S N -1.059 114.655 115.700 0.022 0.000 2.489 238 S HA 0.062 4.573 4.470 0.067 0.000 0.228 238 S C 1.487 176.088 174.600 0.002 0.000 0.995 238 S CA 0.762 58.970 58.200 0.013 0.000 0.934 238 S CB 0.569 63.779 63.200 0.018 0.000 0.771 238 S HN 0.485 nan 8.310 nan 0.000 0.522 239 G N 1.029 109.815 108.800 -0.024 0.000 2.253 239 G HA2 -0.276 3.724 3.960 0.067 0.000 0.209 239 G HA3 -0.276 3.724 3.960 0.067 0.000 0.209 239 G C 0.680 175.582 174.900 0.002 0.000 0.997 239 G CA 0.434 45.533 45.100 -0.001 0.000 0.640 239 G HN 0.517 nan 8.290 nan 0.000 0.496 240 E N 0.061 120.259 120.200 -0.004 0.000 2.072 240 E HA 0.090 4.481 4.350 0.067 0.000 0.191 240 E C 0.873 177.472 176.600 -0.001 0.000 0.985 240 E CA 0.533 56.934 56.400 0.002 0.000 0.801 240 E CB -0.040 29.663 29.700 0.005 0.000 0.750 240 E HN 0.605 nan 8.360 nan 0.000 0.452 241 I N 1.595 122.162 120.570 -0.005 0.000 2.359 241 I HA 0.061 4.272 4.170 0.067 0.000 0.294 241 I C 0.366 176.462 176.117 -0.036 0.000 0.987 241 I CA -0.577 60.731 61.300 0.012 0.000 1.225 241 I CB 1.594 39.643 38.000 0.082 0.000 1.366 241 I HN -0.013 nan 8.210 nan 0.000 0.466 242 D N 5.346 125.734 120.400 -0.020 0.000 2.277 242 D HA 0.155 4.835 4.640 0.067 0.000 0.209 242 D C 0.213 176.511 176.300 -0.003 0.000 0.970 242 D CA 1.306 55.265 54.000 -0.069 0.000 0.874 242 D CB 0.564 41.352 40.800 -0.019 0.000 0.982 242 D HN 0.407 nan 8.370 nan 0.000 0.504 243 M N 0.838 120.444 119.600 0.010 0.000 2.213 243 M HA 0.159 4.680 4.480 0.067 0.000 0.286 243 M C -0.233 176.038 176.300 -0.048 0.000 1.008 243 M CA -0.471 54.794 55.300 -0.058 0.000 0.937 243 M CB 2.648 35.116 32.600 -0.220 0.000 1.600 243 M HN -0.218 nan 8.290 nan 0.000 0.450 244 T N -0.603 113.889 114.554 -0.102 0.000 2.726 244 T HA 0.287 4.678 4.350 0.067 0.000 0.294 244 T C -0.183 174.479 174.700 -0.063 0.000 1.013 244 T CA -0.280 61.771 62.100 -0.082 0.000 0.996 244 T CB 0.917 69.676 68.868 -0.181 0.000 1.016 244 T HN 0.479 nan 8.240 nan 0.000 0.529 245 Y N 1.849 122.074 120.300 -0.126 0.000 2.330 245 Y HA 0.250 4.842 4.550 0.070 0.000 0.341 245 Y C 0.903 176.731 175.900 -0.120 0.000 1.278 245 Y CA -0.866 57.163 58.100 -0.118 0.000 1.453 245 Y CB 0.471 38.867 38.460 -0.106 0.000 1.342 245 Y HN 0.815 nan 8.280 nan 0.000 0.590 246 N N 2.720 120.896 118.700 -0.874 0.000 3.170 246 N HA 0.182 4.963 4.740 0.067 0.000 0.305 246 N C -1.810 173.459 175.510 -0.401 0.000 1.499 246 N CA -0.345 52.382 53.050 -0.538 0.000 1.110 246 N CB -0.439 37.752 38.487 -0.493 0.000 1.390 246 N HN 0.391 nan 8.380 nan 0.000 0.508 247 N N 0.892 119.479 118.700 -0.189 0.000 2.500 247 N HA 0.324 5.105 4.740 0.067 0.000 0.291 247 N C -1.154 174.324 175.510 -0.054 0.000 1.092 247 N CA -0.269 52.783 53.050 0.003 0.000 0.890 247 N CB 1.373 39.954 38.487 0.156 0.000 1.466 247 N HN 0.219 nan 8.380 nan 0.000 0.507 248 M N 2.764 122.287 119.600 -0.129 0.000 2.404 248 M HA 0.488 5.009 4.480 0.067 0.000 0.338 248 M C -2.304 173.908 176.300 -0.147 0.000 1.150 248 M CA -2.219 52.986 55.300 -0.159 0.000 1.016 248 M CB 1.688 34.093 32.600 -0.324 0.000 1.672 248 M HN 0.214 nan 8.290 nan 0.000 0.448 249 P HA 0.203 nan 4.420 nan 0.000 0.276 249 P C 0.661 177.945 177.300 -0.027 0.000 1.230 249 P CA -0.096 62.975 63.100 -0.048 0.000 0.776 249 P CB 1.003 32.695 31.700 -0.013 0.000 0.888 250 I N 1.821 122.362 120.570 -0.049 0.000 2.315 250 I HA -0.255 3.956 4.170 0.067 0.000 0.248 250 I C 2.007 178.129 176.117 0.009 0.000 1.117 250 I CA 1.554 62.836 61.300 -0.030 0.000 1.404 250 I CB -0.464 37.502 38.000 -0.057 0.000 1.071 250 I HN 0.337 nan 8.210 nan 0.000 0.419 251 E N 0.956 121.157 120.200 0.001 0.000 2.097 251 E HA -0.192 4.198 4.350 0.067 0.000 0.196 251 E C 1.945 178.556 176.600 0.018 0.000 1.000 251 E CA 1.422 57.825 56.400 0.005 0.000 0.804 251 E CB -0.071 29.629 29.700 0.000 0.000 0.740 251 E HN 0.487 nan 8.360 nan 0.000 0.454 252 L N -1.622 119.623 121.223 0.037 0.000 2.749 252 L HA 0.197 4.577 4.340 0.067 0.000 0.242 252 L C 1.610 178.514 176.870 0.056 0.000 1.103 252 L CA -0.296 54.564 54.840 0.033 0.000 0.906 252 L CB -0.010 42.064 42.059 0.025 0.000 1.228 252 L HN 0.049 nan 8.230 nan 0.000 0.517 253 F N 2.020 121.932 119.950 -0.063 0.000 2.091 253 F HA -0.285 4.281 4.527 0.065 0.000 0.299 253 F C 2.629 178.390 175.800 -0.064 0.000 1.103 253 F CA 1.823 59.779 58.000 -0.072 0.000 1.228 253 F CB -0.040 38.912 39.000 -0.080 0.000 0.984 253 F HN 0.055 nan 8.300 nan 0.000 0.477 254 Q N 0.753 120.520 119.800 -0.055 0.000 2.045 254 Q HA -0.242 4.138 4.340 0.067 0.000 0.206 254 Q C 2.192 178.069 176.000 -0.204 0.000 0.991 254 Q CA 2.113 57.818 55.803 -0.164 0.000 0.851 254 Q CB -0.780 27.931 28.738 -0.045 0.000 0.911 254 Q HN 0.386 nan 8.270 nan 0.000 0.418 255 K N 0.475 120.801 120.400 -0.124 0.000 2.044 255 K HA -0.124 4.236 4.320 0.067 0.000 0.210 255 K C 2.248 178.762 176.600 -0.143 0.000 1.049 255 K CA 1.143 57.367 56.287 -0.105 0.000 0.927 255 K CB -0.443 32.022 32.500 -0.058 0.000 0.713 255 K HN 0.110 nan 8.250 nan 0.000 0.443 256 L N 0.645 121.761 121.223 -0.178 0.000 2.042 256 L HA -0.241 4.140 4.340 0.067 0.000 0.210 256 L C 2.386 179.107 176.870 -0.248 0.000 1.076 256 L CA 1.211 55.936 54.840 -0.191 0.000 0.749 256 L CB -0.429 41.520 42.059 -0.184 0.000 0.893 256 L HN 0.110 nan 8.230 nan 0.000 0.432 257 K N 0.265 120.427 120.400 -0.397 0.000 2.147 257 K HA -0.143 4.217 4.320 0.067 0.000 0.205 257 K C 1.976 178.456 176.600 -0.200 0.000 1.049 257 K CA 1.316 57.395 56.287 -0.346 0.000 0.936 257 K CB 0.109 32.338 32.500 -0.452 0.000 0.722 257 K HN 0.050 nan 8.250 nan 0.000 0.446 258 K N 0.128 120.425 120.400 -0.171 0.000 2.284 258 K HA 0.052 4.412 4.320 0.067 0.000 0.198 258 K C 1.642 178.192 176.600 -0.084 0.000 1.048 258 K CA 0.837 57.057 56.287 -0.110 0.000 0.987 258 K CB 0.329 32.772 32.500 -0.095 0.000 0.800 258 K HN 0.343 nan 8.250 nan 0.000 0.486 259 E N 0.725 120.873 120.200 -0.087 0.000 2.102 259 E HA 0.042 4.433 4.350 0.067 0.000 0.190 259 E C 0.853 177.423 176.600 -0.049 0.000 0.971 259 E CA 0.653 57.019 56.400 -0.056 0.000 0.821 259 E CB 0.245 29.918 29.700 -0.045 0.000 0.777 259 E HN 0.272 nan 8.360 nan 0.000 0.460 260 I N -2.136 118.396 120.570 -0.064 0.000 2.926 260 I HA 0.271 4.482 4.170 0.067 0.000 0.295 260 I C -2.362 173.714 176.117 -0.069 0.000 1.463 260 I CA -1.858 59.413 61.300 -0.048 0.000 0.892 260 I CB 1.302 39.291 38.000 -0.018 0.000 1.874 260 I HN -0.226 nan 8.210 nan 0.000 0.620 261 P HA -0.151 nan 4.420 nan 0.000 0.216 261 P C 0.850 178.113 177.300 -0.062 0.000 1.150 261 P CA 1.503 64.556 63.100 -0.079 0.000 0.837 261 P CB 0.098 31.757 31.700 -0.067 0.000 0.786 262 N N 0.099 118.770 118.700 -0.049 0.000 2.459 262 N HA -0.095 4.685 4.740 0.067 0.000 0.181 262 N C 1.496 176.976 175.510 -0.051 0.000 1.046 262 N CA 0.878 53.902 53.050 -0.043 0.000 0.904 262 N CB -0.286 38.181 38.487 -0.035 0.000 0.964 262 N HN 0.438 nan 8.380 nan 0.000 0.444 263 E N 0.045 120.212 120.200 -0.056 0.000 2.447 263 E HA 0.084 4.474 4.350 0.067 0.000 0.195 263 E C -0.173 176.376 176.600 -0.084 0.000 1.028 263 E CA -0.001 56.363 56.400 -0.059 0.000 0.876 263 E CB 0.696 30.391 29.700 -0.009 0.000 0.885 263 E HN -0.021 nan 8.360 nan 0.000 0.500 264 V N 3.638 123.505 119.914 -0.079 0.000 2.372 264 V HA 0.129 4.290 4.120 0.067 0.000 0.261 264 V C 0.088 176.166 176.094 -0.027 0.000 1.055 264 V CA -0.328 61.932 62.300 -0.068 0.000 0.930 264 V CB 0.320 32.091 31.823 -0.086 0.000 1.031 264 V HN 0.112 nan 8.190 nan 0.000 0.479 265 R N 4.017 124.510 120.500 -0.012 0.000 2.265 265 R HA 0.612 4.992 4.340 0.067 0.000 0.319 265 R C -0.909 175.404 176.300 0.021 0.000 1.006 265 R CA -0.537 55.575 56.100 0.019 0.000 0.880 265 R CB 1.717 32.074 30.300 0.095 0.000 1.077 265 R HN 0.421 nan 8.270 nan 0.000 0.454 266 V N 4.213 124.134 119.914 0.011 0.000 2.419 266 V HA 0.314 4.474 4.120 0.067 0.000 0.287 266 V C -0.469 175.616 176.094 -0.014 0.000 1.017 266 V CA -0.674 61.635 62.300 0.015 0.000 0.844 266 V CB 1.808 33.662 31.823 0.052 0.000 1.011 266 V HN 0.662 nan 8.190 nan 0.000 0.429 267 D N 4.601 124.982 120.400 -0.032 0.000 2.531 267 D HA 0.507 5.187 4.640 0.067 0.000 0.244 267 D C -2.799 173.497 176.300 -0.008 0.000 1.090 267 D CA -1.453 52.520 54.000 -0.045 0.000 0.989 267 D CB 2.874 43.616 40.800 -0.097 0.000 1.433 267 D HN 0.188 nan 8.370 nan 0.000 0.492 268 P HA 0.089 nan 4.420 nan 0.000 0.269 268 P C -0.964 176.467 177.300 0.217 0.000 1.215 268 P CA 0.205 63.336 63.100 0.053 0.000 0.780 268 P CB 0.300 31.996 31.700 -0.007 0.000 0.898 269 Y N 1.429 121.832 120.300 0.172 0.000 2.358 269 Y HA 0.289 4.881 4.550 0.070 0.000 0.324 269 Y C -0.994 175.068 175.900 0.271 0.000 1.123 269 Y CA -1.042 57.163 58.100 0.174 0.000 1.067 269 Y CB 1.068 39.610 38.460 0.136 0.000 1.230 269 Y HN 0.149 nan 8.280 nan 0.000 0.429 270 L N 6.216 127.555 121.223 0.194 0.000 2.480 270 L HA 0.314 4.694 4.340 0.067 0.000 0.243 270 L C -0.778 176.042 176.870 -0.084 0.000 1.315 270 L CA 0.205 55.036 54.840 -0.015 0.000 1.231 270 L CB -0.676 41.367 42.059 -0.028 0.000 1.444 270 L HN 0.551 nan 8.230 nan 0.000 0.409 271 c N -0.471 118.067 118.600 -0.104 0.000 2.898 271 c HA 0.684 5.294 4.570 0.067 0.000 0.304 271 c C 0.330 174.620 174.090 0.334 0.000 1.237 271 c CA -0.660 55.622 56.329 -0.078 0.000 1.529 271 c CB 2.199 44.208 42.510 -0.836 0.000 2.021 271 c HN 0.454 nan 8.230 nan 0.000 0.474 272 T N 1.272 116.110 114.554 0.474 0.000 2.841 272 T HA 0.404 4.794 4.350 0.067 0.000 0.285 272 T C -1.287 173.758 174.700 0.575 0.000 0.991 272 T CA -0.180 62.218 62.100 0.496 0.000 0.966 272 T CB 0.787 69.869 68.868 0.356 0.000 0.962 272 T HN 0.542 nan 8.240 nan 0.000 0.438 273 Y N 4.928 125.253 120.300 0.042 0.000 2.327 273 Y HA 0.547 5.136 4.550 0.066 0.000 0.336 273 Y C -0.787 175.017 175.900 -0.161 0.000 1.035 273 Y CA -0.736 57.179 58.100 -0.307 0.000 1.165 273 Y CB 0.376 37.976 38.460 -1.433 0.000 1.181 273 Y HN 0.693 nan 8.280 nan 0.000 0.494 274 Y N 2.601 122.753 120.300 -0.247 0.000 2.638 274 Y HA 0.560 5.150 4.550 0.066 0.000 0.335 274 Y C -2.370 173.300 175.900 -0.383 0.000 1.155 274 Y CA -2.415 55.581 58.100 -0.173 0.000 1.046 274 Y CB 0.478 38.924 38.460 -0.024 0.000 1.303 274 Y HN 0.402 nan 8.280 nan 0.000 0.460 275 Y N 1.361 121.769 120.300 0.181 0.000 2.367 275 Y HA 0.306 4.898 4.550 0.069 0.000 0.342 275 Y C 0.382 176.355 175.900 0.120 0.000 0.979 275 Y CA -0.674 57.487 58.100 0.103 0.000 1.161 275 Y CB 1.265 39.885 38.460 0.267 0.000 1.155 275 Y HN 0.688 nan 8.280 nan 0.000 0.503 276 E N 4.636 124.870 120.200 0.057 0.000 2.223 276 E HA 0.288 4.679 4.350 0.067 0.000 0.282 276 E C -0.914 175.794 176.600 0.180 0.000 1.046 276 E CA -0.244 56.233 56.400 0.128 0.000 0.857 276 E CB 0.510 30.198 29.700 -0.019 0.000 1.055 276 E HN 0.614 nan 8.360 nan 0.000 0.409 277 I N 4.080 124.695 120.570 0.074 0.000 2.385 277 I HA 0.084 4.294 4.170 0.067 0.000 0.294 277 I C 0.393 176.423 176.117 -0.145 0.000 0.988 277 I CA -0.780 60.454 61.300 -0.109 0.000 1.265 277 I CB 1.137 39.059 38.000 -0.131 0.000 1.388 277 I HN 0.498 nan 8.210 nan 0.000 0.480 278 N N 4.725 123.146 118.700 -0.464 0.000 2.402 278 N HA 0.050 4.830 4.740 0.067 0.000 0.259 278 N C 0.355 175.732 175.510 -0.221 0.000 1.167 278 N CA 0.200 52.925 53.050 -0.542 0.000 0.949 278 N CB 0.191 37.952 38.487 -1.209 0.000 1.212 278 N HN 0.430 nan 8.380 nan 0.000 0.493 279 N N 2.091 120.758 118.700 -0.055 0.000 2.512 279 N HA -0.052 4.728 4.740 0.067 0.000 0.183 279 N C 0.607 176.116 175.510 -0.002 0.000 1.073 279 N CA 0.843 53.901 53.050 0.013 0.000 0.911 279 N CB 0.198 38.740 38.487 0.093 0.000 0.964 279 N HN 0.657 nan 8.380 nan 0.000 0.447 280 Q N -0.551 119.222 119.800 -0.045 0.000 2.360 280 Q HA 0.128 4.508 4.340 0.067 0.000 0.202 280 Q C -0.030 175.923 176.000 -0.078 0.000 0.915 280 Q CA 0.279 56.046 55.803 -0.060 0.000 0.943 280 Q CB 0.570 29.257 28.738 -0.084 0.000 1.064 280 Q HN 0.115 nan 8.270 nan 0.000 0.511 281 K N 1.283 121.639 120.400 -0.073 0.000 2.339 281 K HA 0.467 4.827 4.320 0.067 0.000 0.264 281 K C -0.943 175.671 176.600 0.023 0.000 0.986 281 K CA -0.370 55.893 56.287 -0.040 0.000 0.866 281 K CB 1.198 33.652 32.500 -0.075 0.000 1.103 281 K HN 0.011 nan 8.250 nan 0.000 0.441 282 A N 4.872 127.672 122.820 -0.033 0.000 2.483 282 A HA 0.169 4.529 4.320 0.067 0.000 0.238 282 A C -1.636 175.861 177.584 -0.145 0.000 1.070 282 A CA -0.777 51.207 52.037 -0.089 0.000 0.770 282 A CB -0.067 18.889 19.000 -0.073 0.000 1.008 282 A HN 0.661 nan 8.150 nan 0.000 0.497 283 P HA 0.137 nan 4.420 nan 0.000 0.261 283 P C 0.144 177.123 177.300 -0.535 0.000 1.352 283 P CA 0.274 63.141 63.100 -0.389 0.000 0.891 283 P CB -0.023 31.497 31.700 -0.300 0.000 1.383 284 F N 1.656 121.518 119.950 -0.147 0.000 2.802 284 F HA -0.004 4.564 4.527 0.068 0.000 0.300 284 F C 1.817 177.539 175.800 -0.130 0.000 1.168 284 F CA 0.438 58.324 58.000 -0.190 0.000 1.433 284 F CB -0.955 37.888 39.000 -0.262 0.000 1.115 284 F HN 0.051 nan 8.300 nan 0.000 0.582 285 N N -0.778 117.916 118.700 -0.011 0.000 2.461 285 N HA -0.090 4.690 4.740 0.067 0.000 0.188 285 N C -0.252 175.241 175.510 -0.027 0.000 1.134 285 N CA 0.306 53.348 53.050 -0.013 0.000 0.878 285 N CB -0.422 38.049 38.487 -0.026 0.000 0.972 285 N HN 0.110 nan 8.380 nan 0.000 0.456 286 D N 0.648 121.018 120.400 -0.050 0.000 2.317 286 D HA 0.044 4.724 4.640 0.067 0.000 0.234 286 D C 0.932 177.214 176.300 -0.031 0.000 1.112 286 D CA -0.495 53.480 54.000 -0.042 0.000 0.840 286 D CB 2.032 42.801 40.800 -0.052 0.000 1.078 286 D HN -0.162 nan 8.370 nan 0.000 0.486 287 V N 5.853 125.759 119.914 -0.013 0.000 2.453 287 V HA -0.261 3.899 4.120 0.067 0.000 0.252 287 V C 2.135 178.214 176.094 -0.025 0.000 1.068 287 V CA 1.884 64.177 62.300 -0.011 0.000 1.070 287 V CB -0.196 31.631 31.823 0.006 0.000 0.664 287 V HN 0.535 nan 8.190 nan 0.000 0.461 288 R N -0.864 119.623 120.500 -0.020 0.000 2.096 288 R HA -0.101 4.280 4.340 0.067 0.000 0.235 288 R C 2.153 178.426 176.300 -0.045 0.000 1.127 288 R CA 1.583 57.672 56.100 -0.019 0.000 0.968 288 R CB -0.551 29.750 30.300 0.001 0.000 0.861 288 R HN 0.492 nan 8.270 nan 0.000 0.440 289 V N 1.197 121.072 119.914 -0.065 0.000 2.307 289 V HA -0.215 3.945 4.120 0.067 0.000 0.245 289 V C 2.301 178.308 176.094 -0.144 0.000 1.045 289 V CA 1.683 63.901 62.300 -0.137 0.000 1.024 289 V CB -0.456 31.238 31.823 -0.214 0.000 0.651 289 V HN 0.301 nan 8.190 nan 0.000 0.449 290 R N -0.137 120.310 120.500 -0.090 0.000 2.081 290 R HA -0.134 4.247 4.340 0.067 0.000 0.235 290 R C 2.350 178.587 176.300 -0.105 0.000 1.131 290 R CA 1.903 57.955 56.100 -0.078 0.000 0.960 290 R CB -0.895 29.380 30.300 -0.042 0.000 0.856 290 R HN 0.470 nan 8.270 nan 0.000 0.436 291 T N 1.164 115.658 114.554 -0.101 0.000 2.788 291 T HA -0.115 4.275 4.350 0.067 0.000 0.268 291 T C 2.002 176.623 174.700 -0.131 0.000 1.044 291 T CA 1.354 63.373 62.100 -0.135 0.000 1.139 291 T CB -0.213 68.595 68.868 -0.099 0.000 0.867 291 T HN 0.389 nan 8.240 nan 0.000 0.454 292 A N 1.350 124.108 122.820 -0.103 0.000 1.902 292 A HA -0.005 4.356 4.320 0.067 0.000 0.217 292 A C 2.296 179.813 177.584 -0.112 0.000 1.181 292 A CA 1.215 53.198 52.037 -0.089 0.000 0.623 292 A CB -0.843 18.096 19.000 -0.102 0.000 0.818 292 A HN 0.478 nan 8.150 nan 0.000 0.443 293 L N -0.744 120.359 121.223 -0.200 0.000 2.083 293 L HA -0.191 4.190 4.340 0.067 0.000 0.209 293 L C 2.651 179.604 176.870 0.138 0.000 1.083 293 L CA 1.888 56.573 54.840 -0.259 0.000 0.752 293 L CB -0.431 41.352 42.059 -0.460 0.000 0.899 293 L HN 0.491 nan 8.230 nan 0.000 0.433 294 K N 0.758 121.163 120.400 0.009 0.000 2.026 294 K HA -0.164 4.196 4.320 0.067 0.000 0.208 294 K C 2.129 178.673 176.600 -0.094 0.000 1.048 294 K CA 1.300 57.566 56.287 -0.034 0.000 0.929 294 K CB -0.032 32.318 32.500 -0.250 0.000 0.713 294 K HN 0.233 nan 8.250 nan 0.000 0.439 295 L N 0.249 121.378 121.223 -0.156 0.000 2.109 295 L HA -0.054 4.326 4.340 0.067 0.000 0.207 295 L C 2.513 179.468 176.870 0.141 0.000 1.086 295 L CA 0.983 55.783 54.840 -0.065 0.000 0.760 295 L CB -0.401 41.638 42.059 -0.033 0.000 0.910 295 L HN 0.249 nan 8.230 nan 0.000 0.437 296 A N -0.311 122.626 122.820 0.195 0.000 2.119 296 A HA -0.011 4.350 4.320 0.067 0.000 0.217 296 A C 1.012 178.803 177.584 0.345 0.000 1.153 296 A CA 0.141 52.343 52.037 0.274 0.000 0.692 296 A CB -0.338 18.831 19.000 0.281 0.000 0.799 296 A HN 0.204 nan 8.150 nan 0.000 0.458 297 L N 0.912 122.372 121.223 0.395 0.000 2.410 297 L HA 0.227 4.608 4.340 0.067 0.000 0.273 297 L C -0.400 176.554 176.870 0.141 0.000 1.152 297 L CA -0.145 54.799 54.840 0.173 0.000 0.855 297 L CB 0.424 42.584 42.059 0.168 0.000 1.129 297 L HN 0.152 nan 8.230 nan 0.000 0.463 298 D N 4.223 124.662 120.400 0.064 0.000 2.428 298 D HA 0.172 4.853 4.640 0.067 0.000 0.221 298 D C 1.006 177.346 176.300 0.065 0.000 1.123 298 D CA -0.170 53.876 54.000 0.077 0.000 0.869 298 D CB 0.647 41.474 40.800 0.046 0.000 1.032 298 D HN 0.564 nan 8.370 nan 0.000 0.506 299 R N 1.978 122.548 120.500 0.117 0.000 2.115 299 R HA -0.069 4.311 4.340 0.067 0.000 0.230 299 R C 1.130 177.466 176.300 0.060 0.000 1.111 299 R CA 0.843 57.014 56.100 0.118 0.000 0.976 299 R CB 0.258 30.688 30.300 0.216 0.000 0.870 299 R HN 0.372 nan 8.270 nan 0.000 0.445 300 D N 0.700 121.121 120.400 0.035 0.000 2.117 300 D HA -0.119 4.561 4.640 0.067 0.000 0.197 300 D C 1.851 178.148 176.300 -0.006 0.000 0.987 300 D CA 1.092 55.096 54.000 0.006 0.000 0.829 300 D CB -0.051 40.744 40.800 -0.009 0.000 0.961 300 D HN 0.195 nan 8.370 nan 0.000 0.460 301 I N 0.457 121.025 120.570 -0.004 0.000 2.142 301 I HA -0.236 3.974 4.170 0.067 0.000 0.240 301 I C 2.370 178.464 176.117 -0.038 0.000 1.078 301 I CA 0.725 62.013 61.300 -0.020 0.000 1.343 301 I CB -0.082 37.907 38.000 -0.019 0.000 1.046 301 I HN -0.055 nan 8.210 nan 0.000 0.405 302 I N -0.159 120.389 120.570 -0.036 0.000 2.113 302 I HA -0.273 3.937 4.170 0.067 0.000 0.238 302 I C 2.462 178.519 176.117 -0.100 0.000 1.070 302 I CA 1.388 62.652 61.300 -0.060 0.000 1.332 302 I CB -0.307 37.675 38.000 -0.030 0.000 1.044 302 I HN -0.019 nan 8.210 nan 0.000 0.402 303 V N 0.968 120.833 119.914 -0.082 0.000 2.295 303 V HA -0.239 3.921 4.120 0.067 0.000 0.246 303 V C 1.915 177.927 176.094 -0.137 0.000 1.049 303 V CA 1.953 64.159 62.300 -0.157 0.000 1.024 303 V CB -0.716 31.063 31.823 -0.074 0.000 0.648 303 V HN 0.446 nan 8.190 nan 0.000 0.447 304 N N -0.660 117.995 118.700 -0.074 0.000 2.432 304 N HA 0.016 4.797 4.740 0.067 0.000 0.174 304 N C 1.711 177.191 175.510 -0.050 0.000 1.037 304 N CA 0.635 53.652 53.050 -0.056 0.000 0.892 304 N CB 0.077 38.546 38.487 -0.030 0.000 1.049 304 N HN 0.449 nan 8.380 nan 0.000 0.442 305 K N 0.237 120.607 120.400 -0.050 0.000 2.172 305 K HA 0.223 4.583 4.320 0.067 0.000 0.203 305 K C 1.967 178.536 176.600 -0.052 0.000 1.040 305 K CA 0.448 56.710 56.287 -0.041 0.000 0.974 305 K CB -0.400 32.081 32.500 -0.032 0.000 0.857 305 K HN -0.091 nan 8.250 nan 0.000 0.464 306 V N 2.145 122.019 119.914 -0.067 0.000 2.323 306 V HA -0.182 3.979 4.120 0.067 0.000 0.244 306 V C 2.489 178.525 176.094 -0.097 0.000 1.041 306 V CA 1.960 64.215 62.300 -0.076 0.000 1.025 306 V CB -0.331 31.442 31.823 -0.082 0.000 0.656 306 V HN 0.281 nan 8.190 nan 0.000 0.451 307 K N 0.221 120.536 120.400 -0.141 0.000 2.172 307 K HA 0.080 4.441 4.320 0.067 0.000 0.203 307 K C 1.035 177.538 176.600 -0.161 0.000 1.040 307 K CA 0.786 56.955 56.287 -0.197 0.000 0.974 307 K CB -0.064 32.234 32.500 -0.337 0.000 0.857 307 K HN 0.350 nan 8.250 nan 0.000 0.464 308 N N 1.172 119.782 118.700 -0.149 0.000 2.686 308 N HA -0.220 4.561 4.740 0.067 0.000 0.261 308 N C -0.734 174.756 175.510 -0.033 0.000 1.001 308 N CA 0.564 53.566 53.050 -0.079 0.000 0.764 308 N CB -0.501 37.973 38.487 -0.023 0.000 0.898 308 N HN 0.529 nan 8.380 nan 0.000 0.544 309 Q N -0.652 119.050 119.800 -0.162 0.000 2.171 309 Q HA 0.226 4.607 4.340 0.067 0.000 0.218 309 Q C 1.278 177.219 176.000 -0.098 0.000 0.822 309 Q CA 0.475 56.158 55.803 -0.199 0.000 0.987 309 Q CB 0.841 29.177 28.738 -0.671 0.000 1.144 309 Q HN 0.625 nan 8.270 nan 0.000 0.494 310 G N 0.971 109.725 108.800 -0.077 0.000 2.179 310 G HA2 -0.162 3.838 3.960 0.067 0.000 0.220 310 G HA3 -0.162 3.838 3.960 0.067 0.000 0.220 310 G C -0.257 174.608 174.900 -0.058 0.000 0.990 310 G CA -0.345 44.733 45.100 -0.037 0.000 0.646 310 G HN 0.277 nan 8.290 nan 0.000 0.517 311 D N 0.256 120.557 120.400 -0.164 0.000 2.357 311 D HA 0.458 5.139 4.640 0.067 0.000 0.242 311 D C 0.298 176.588 176.300 -0.017 0.000 1.153 311 D CA 0.249 54.163 54.000 -0.144 0.000 0.918 311 D CB 1.422 41.853 40.800 -0.616 0.000 1.181 311 D HN 0.106 nan 8.370 nan 0.000 0.435 312 L N 2.200 123.511 121.223 0.147 0.000 2.317 312 L HA 0.321 4.701 4.340 0.067 0.000 0.281 312 L C -2.292 174.704 176.870 0.211 0.000 1.024 312 L CA -1.823 53.147 54.840 0.217 0.000 0.810 312 L CB 1.256 43.522 42.059 0.346 0.000 1.240 312 L HN 0.069 nan 8.230 nan 0.000 0.427 313 P HA 0.145 nan 4.420 nan 0.000 0.264 313 P C -1.031 176.367 177.300 0.164 0.000 1.183 313 P CA -0.058 63.205 63.100 0.272 0.000 0.763 313 P CB 0.595 32.533 31.700 0.397 0.000 0.807 314 A N 3.257 125.994 122.820 -0.140 0.000 2.325 314 A HA 0.587 4.947 4.320 0.067 0.000 0.333 314 A C -0.470 176.938 177.584 -0.292 0.000 1.155 314 A CA -0.393 51.228 52.037 -0.694 0.000 0.814 314 A CB 0.406 18.789 19.000 -1.029 0.000 1.206 314 A HN 0.704 nan 8.150 nan 0.000 0.482 315 Y N -0.049 120.036 120.300 -0.358 0.000 2.672 315 Y HA 0.467 5.057 4.550 0.068 0.000 0.252 315 Y C 0.269 176.139 175.900 -0.051 0.000 1.132 315 Y CA -0.134 57.763 58.100 -0.338 0.000 1.228 315 Y CB -0.444 37.315 38.460 -1.168 0.000 1.310 315 Y HN 0.654 nan 8.280 nan 0.000 0.549 316 S N -1.676 113.870 115.700 -0.257 0.000 2.720 316 S HA 0.371 4.881 4.470 0.067 0.000 0.287 316 S C -0.346 174.244 174.600 -0.017 0.000 1.168 316 S CA -0.486 57.663 58.200 -0.086 0.000 0.832 316 S CB 1.533 64.616 63.200 -0.194 0.000 1.166 316 S HN 0.125 nan 8.310 nan 0.000 0.493 317 Y N 1.752 121.939 120.300 -0.188 0.000 2.239 317 Y HA 0.315 4.907 4.550 0.070 0.000 0.293 317 Y C 1.081 176.769 175.900 -0.353 0.000 1.126 317 Y CA 1.015 58.975 58.100 -0.235 0.000 1.128 317 Y CB -0.818 37.492 38.460 -0.250 0.000 1.066 317 Y HN 0.702 nan 8.280 nan 0.000 0.516 318 T N 5.375 119.609 114.554 -0.534 0.000 2.867 318 T HA 0.134 4.525 4.350 0.067 0.000 0.297 318 T C -2.569 171.579 174.700 -0.920 0.000 0.989 318 T CA -0.791 60.670 62.100 -1.064 0.000 1.159 318 T CB 0.703 69.206 68.868 -0.609 0.000 0.928 318 T HN 0.097 nan 8.240 nan 0.000 0.538 319 P HA 0.124 nan 4.420 nan 0.000 0.268 319 P C -1.773 174.900 177.300 -1.045 0.000 1.205 319 P CA -1.407 60.971 63.100 -1.203 0.000 0.771 319 P CB 0.240 31.130 31.700 -1.349 0.000 0.858 320 P HA -0.112 nan 4.420 nan 0.000 0.226 320 P C 0.463 177.600 177.300 -0.271 0.000 1.153 320 P CA 1.367 64.197 63.100 -0.450 0.000 0.777 320 P CB -0.381 31.163 31.700 -0.259 0.000 0.794 321 Y N -2.551 117.563 120.300 -0.310 0.000 2.493 321 Y HA 0.403 4.992 4.550 0.064 0.000 0.275 321 Y C 0.369 176.175 175.900 -0.157 0.000 1.183 321 Y CA -0.989 57.001 58.100 -0.183 0.000 1.258 321 Y CB -1.640 36.732 38.460 -0.146 0.000 1.108 321 Y HN -0.336 nan 8.280 nan 0.000 0.521 322 T N 2.267 116.555 114.554 -0.443 0.000 2.940 322 T HA -0.087 4.303 4.350 0.067 0.000 0.309 322 T C -0.146 174.462 174.700 -0.154 0.000 1.056 322 T CA -0.122 61.787 62.100 -0.318 0.000 1.137 322 T CB 0.333 68.946 68.868 -0.425 0.000 0.976 322 T HN 0.303 nan 8.240 nan 0.000 0.547 323 D N 1.231 121.579 120.400 -0.086 0.000 2.412 323 D HA 0.201 4.882 4.640 0.067 0.000 0.257 323 D C 1.290 177.568 176.300 -0.037 0.000 1.217 323 D CA 1.353 55.338 54.000 -0.026 0.000 0.897 323 D CB -0.233 40.575 40.800 0.015 0.000 1.132 323 D HN 0.854 nan 8.370 nan 0.000 0.493 324 G N 2.499 111.298 108.800 -0.001 0.000 2.195 324 G HA2 -0.112 3.888 3.960 0.067 0.000 0.224 324 G HA3 -0.112 3.888 3.960 0.067 0.000 0.224 324 G C 0.338 175.272 174.900 0.056 0.000 0.990 324 G CA 0.172 45.300 45.100 0.048 0.000 0.639 324 G HN 0.922 nan 8.290 nan 0.000 0.514 325 A N 0.373 123.173 122.820 -0.035 0.000 2.320 325 A HA 0.721 5.081 4.320 0.067 0.000 0.287 325 A C 0.464 178.037 177.584 -0.017 0.000 1.181 325 A CA 0.203 52.208 52.037 -0.054 0.000 0.831 325 A CB 0.442 19.332 19.000 -0.183 0.000 1.102 325 A HN 0.302 nan 8.150 nan 0.000 0.513 326 K N 3.565 123.972 120.400 0.012 0.000 3.029 326 K HA 0.307 4.667 4.320 0.067 0.000 0.169 326 K C -1.072 175.540 176.600 0.020 0.000 1.090 326 K CA -0.046 56.250 56.287 0.015 0.000 0.883 326 K CB 0.642 33.154 32.500 0.020 0.000 1.080 326 K HN 0.704 nan 8.250 nan 0.000 0.613 327 L N 1.013 122.249 121.223 0.021 0.000 2.418 327 L HA 0.372 4.753 4.340 0.067 0.000 0.265 327 L C 0.327 177.220 176.870 0.038 0.000 1.143 327 L CA -1.051 53.818 54.840 0.048 0.000 0.809 327 L CB 1.127 43.234 42.059 0.080 0.000 1.124 327 L HN -0.049 nan 8.230 nan 0.000 0.456 328 V N 1.581 121.508 119.914 0.022 0.000 2.364 328 V HA 0.106 4.266 4.120 0.067 0.000 0.272 328 V C 0.345 176.356 176.094 -0.138 0.000 1.036 328 V CA -0.503 61.771 62.300 -0.042 0.000 0.880 328 V CB 1.112 32.921 31.823 -0.023 0.000 0.991 328 V HN 0.717 nan 8.190 nan 0.000 0.460 329 E N 7.915 127.925 120.200 -0.317 0.000 2.324 329 E HA 0.196 4.587 4.350 0.067 0.000 0.271 329 E C -2.168 174.144 176.600 -0.480 0.000 1.028 329 E CA -1.456 54.510 56.400 -0.722 0.000 0.890 329 E CB 0.953 30.207 29.700 -0.744 0.000 1.004 329 E HN 0.463 nan 8.360 nan 0.000 0.431 330 P HA 0.022 nan 4.420 nan 0.000 0.274 330 P C 0.143 177.145 177.300 -0.496 0.000 1.237 330 P CA -0.165 62.681 63.100 -0.422 0.000 0.793 330 P CB 0.840 32.278 31.700 -0.437 0.000 0.977 331 E N 1.226 121.239 120.200 -0.311 0.000 2.153 331 E HA -0.134 4.256 4.350 0.067 0.000 0.194 331 E C 1.836 177.973 176.600 -0.771 0.000 0.988 331 E CA 1.252 57.475 56.400 -0.295 0.000 0.811 331 E CB -0.501 29.199 29.700 0.001 0.000 0.746 331 E HN 0.698 nan 8.360 nan 0.000 0.466 332 W N -0.338 120.387 121.300 -0.960 0.000 2.392 332 W HA -0.139 4.562 4.660 0.067 0.000 0.279 332 W C 1.652 177.807 176.519 -0.606 0.000 1.225 332 W CA 0.236 56.711 57.345 -1.450 0.000 1.233 332 W CB -1.167 27.735 29.460 -0.929 0.000 1.122 332 W HN -0.045 nan 8.180 nan 0.000 0.561 333 F N 2.851 122.168 119.950 -1.055 0.000 2.325 333 F HA 0.007 4.575 4.527 0.067 0.000 0.299 333 F C 2.159 177.775 175.800 -0.306 0.000 1.090 333 F CA 1.586 59.140 58.000 -0.744 0.000 1.392 333 F CB -0.162 38.234 39.000 -1.007 0.000 1.053 333 F HN -0.242 nan 8.300 nan 0.000 0.521 334 K N -0.917 119.339 120.400 -0.240 0.000 2.361 334 K HA -0.058 4.303 4.320 0.067 0.000 0.196 334 K C 0.250 176.900 176.600 0.084 0.000 1.039 334 K CA 0.013 56.239 56.287 -0.102 0.000 1.001 334 K CB -0.201 32.283 32.500 -0.026 0.000 0.795 334 K HN 0.045 nan 8.250 nan 0.000 0.495 335 W N 2.534 123.832 121.300 -0.003 0.000 2.042 335 W HA 0.012 4.713 4.660 0.068 0.000 0.358 335 W C 1.219 177.743 176.519 0.007 0.000 1.325 335 W CA -1.211 56.153 57.345 0.032 0.000 1.311 335 W CB -0.444 29.076 29.460 0.101 0.000 1.210 335 W HN -0.041 nan 8.180 nan 0.000 0.620 336 S N 0.220 116.081 115.700 0.269 0.000 2.603 336 S HA 0.060 4.571 4.470 0.067 0.000 0.268 336 S C 0.793 175.504 174.600 0.186 0.000 1.317 336 S CA -0.343 57.946 58.200 0.147 0.000 1.012 336 S CB 1.501 64.751 63.200 0.084 0.000 0.926 336 S HN 0.403 nan 8.310 nan 0.000 0.539 337 Q N 0.965 120.843 119.800 0.130 0.000 2.119 337 Q HA -0.156 4.225 4.340 0.067 0.000 0.201 337 Q C 2.276 178.359 176.000 0.139 0.000 0.972 337 Q CA 2.291 58.180 55.803 0.144 0.000 0.847 337 Q CB -0.667 28.130 28.738 0.099 0.000 0.903 337 Q HN 0.983 nan 8.270 nan 0.000 0.433 338 Q N 0.257 120.116 119.800 0.097 0.000 2.124 338 Q HA -0.212 4.169 4.340 0.067 0.000 0.202 338 Q C 1.907 177.953 176.000 0.076 0.000 0.977 338 Q CA 2.251 58.098 55.803 0.073 0.000 0.850 338 Q CB -0.359 28.404 28.738 0.042 0.000 0.901 338 Q HN 0.371 nan 8.270 nan 0.000 0.429 339 K N -0.036 120.413 120.400 0.081 0.000 2.103 339 K HA -0.097 4.263 4.320 0.067 0.000 0.204 339 K C 2.219 178.917 176.600 0.164 0.000 1.052 339 K CA 0.911 57.213 56.287 0.025 0.000 0.945 339 K CB -0.021 32.408 32.500 -0.118 0.000 0.722 339 K HN 0.205 nan 8.250 nan 0.000 0.443 340 R N 0.497 121.214 120.500 0.361 0.000 2.091 340 R HA -0.095 4.285 4.340 0.067 0.000 0.238 340 R C 2.070 178.515 176.300 0.243 0.000 1.136 340 R CA 1.669 58.026 56.100 0.428 0.000 0.959 340 R CB -0.398 30.137 30.300 0.393 0.000 0.856 340 R HN 0.304 nan 8.270 nan 0.000 0.437 341 N N 0.705 119.510 118.700 0.175 0.000 2.069 341 N HA -0.165 4.615 4.740 0.067 0.000 0.191 341 N C 1.615 177.183 175.510 0.097 0.000 1.031 341 N CA 1.140 54.267 53.050 0.128 0.000 0.852 341 N CB -0.256 38.294 38.487 0.105 0.000 1.018 341 N HN 0.221 nan 8.380 nan 0.000 0.423 342 E N 0.792 121.039 120.200 0.078 0.000 2.077 342 E HA -0.193 4.197 4.350 0.067 0.000 0.193 342 E C 1.820 178.453 176.600 0.056 0.000 0.989 342 E CA 0.838 57.266 56.400 0.047 0.000 0.800 342 E CB -0.153 29.553 29.700 0.011 0.000 0.746 342 E HN 0.400 nan 8.360 nan 0.000 0.452 343 E N 0.938 121.191 120.200 0.088 0.000 2.077 343 E HA -0.117 4.274 4.350 0.067 0.000 0.193 343 E C 1.850 178.508 176.600 0.096 0.000 0.989 343 E CA 1.399 57.867 56.400 0.113 0.000 0.800 343 E CB -0.249 29.596 29.700 0.241 0.000 0.746 343 E HN 0.188 nan 8.360 nan 0.000 0.452 344 A N 0.926 123.804 122.820 0.097 0.000 1.858 344 A HA -0.217 4.144 4.320 0.067 0.000 0.216 344 A C 2.111 179.716 177.584 0.036 0.000 1.190 344 A CA 1.966 54.036 52.037 0.055 0.000 0.617 344 A CB -0.527 18.511 19.000 0.064 0.000 0.827 344 A HN 0.231 nan 8.150 nan 0.000 0.443 345 K N -0.326 120.102 120.400 0.046 0.000 2.103 345 K HA -0.194 4.167 4.320 0.067 0.000 0.207 345 K C 2.222 178.844 176.600 0.037 0.000 1.048 345 K CA 1.685 57.995 56.287 0.037 0.000 0.930 345 K CB -0.164 32.360 32.500 0.041 0.000 0.716 345 K HN 0.558 nan 8.250 nan 0.000 0.444 346 K N 1.408 121.831 120.400 0.038 0.000 2.057 346 K HA -0.138 4.222 4.320 0.067 0.000 0.207 346 K C 2.033 178.654 176.600 0.036 0.000 1.049 346 K CA 1.124 57.431 56.287 0.035 0.000 0.931 346 K CB -0.055 32.465 32.500 0.032 0.000 0.714 346 K HN 0.047 nan 8.250 nan 0.000 0.440 347 L N 0.978 122.223 121.223 0.037 0.000 2.093 347 L HA -0.163 4.217 4.340 0.067 0.000 0.208 347 L C 2.495 179.389 176.870 0.041 0.000 1.085 347 L CA 0.811 55.670 54.840 0.031 0.000 0.755 347 L CB -0.322 41.749 42.059 0.019 0.000 0.904 347 L HN 0.254 nan 8.230 nan 0.000 0.435 348 L N -0.471 120.777 121.223 0.041 0.000 2.056 348 L HA -0.185 4.196 4.340 0.067 0.000 0.207 348 L C 2.830 179.788 176.870 0.146 0.000 1.078 348 L CA 1.286 56.179 54.840 0.089 0.000 0.749 348 L CB -0.597 41.479 42.059 0.028 0.000 0.901 348 L HN 0.278 nan 8.230 nan 0.000 0.433 349 A N -0.172 122.699 122.820 0.085 0.000 1.933 349 A HA -0.222 4.138 4.320 0.067 0.000 0.218 349 A C 2.041 179.648 177.584 0.039 0.000 1.175 349 A CA 1.509 53.586 52.037 0.066 0.000 0.628 349 A CB -0.382 18.643 19.000 0.042 0.000 0.814 349 A HN 0.458 nan 8.150 nan 0.000 0.444 350 E N -0.275 119.945 120.200 0.033 0.000 2.153 350 E HA -0.070 4.321 4.350 0.067 0.000 0.194 350 E C 2.052 178.651 176.600 -0.001 0.000 0.988 350 E CA 0.813 57.221 56.400 0.012 0.000 0.811 350 E CB -0.236 29.473 29.700 0.014 0.000 0.746 350 E HN 0.626 nan 8.360 nan 0.000 0.466 351 A N 0.078 122.919 122.820 0.035 0.000 2.168 351 A HA 0.141 4.501 4.320 0.067 0.000 0.215 351 A C 1.802 179.299 177.584 -0.146 0.000 1.152 351 A CA 1.111 53.161 52.037 0.022 0.000 0.716 351 A CB -0.196 18.915 19.000 0.185 0.000 0.794 351 A HN 0.371 nan 8.150 nan 0.000 0.465 352 G N -2.723 105.982 108.800 -0.158 0.000 2.192 352 G HA2 -0.164 3.837 3.960 0.067 0.000 0.193 352 G HA3 -0.164 3.837 3.960 0.067 0.000 0.193 352 G C -0.065 174.586 174.900 -0.416 0.000 0.999 352 G CA -0.158 44.750 45.100 -0.320 0.000 0.659 352 G HN 0.284 nan 8.290 nan 0.000 0.503 353 F N 2.142 122.065 119.950 -0.045 0.000 2.384 353 F HA 0.658 5.225 4.527 0.068 0.000 0.338 353 F C 1.131 176.916 175.800 -0.024 0.000 1.103 353 F CA 0.552 58.530 58.000 -0.037 0.000 1.157 353 F CB 1.733 40.707 39.000 -0.044 0.000 1.167 353 F HN 0.241 nan 8.300 nan 0.000 0.529 354 T N -1.271 113.374 114.554 0.152 0.000 2.742 354 T HA 0.672 5.063 4.350 0.067 0.000 0.282 354 T C 0.677 175.425 174.700 0.081 0.000 1.025 354 T CA -0.291 61.858 62.100 0.082 0.000 1.020 354 T CB 1.315 70.204 68.868 0.034 0.000 1.317 354 T HN 0.518 nan 8.240 nan 0.000 0.538 355 A N -0.031 122.819 122.820 0.051 0.000 1.968 355 A HA 0.057 4.417 4.320 0.067 0.000 0.217 355 A C 1.899 179.506 177.584 0.039 0.000 1.169 355 A CA 1.980 54.043 52.037 0.042 0.000 0.638 355 A CB -1.240 17.778 19.000 0.029 0.000 0.812 355 A HN 0.930 nan 8.150 nan 0.000 0.446 356 D N -0.232 120.188 120.400 0.033 0.000 2.123 356 D HA -0.064 4.616 4.640 0.067 0.000 0.200 356 D C 0.465 176.787 176.300 0.037 0.000 0.976 356 D CA 0.990 55.006 54.000 0.026 0.000 0.831 356 D CB 0.072 40.881 40.800 0.014 0.000 0.974 356 D HN 0.194 nan 8.370 nan 0.000 0.469 357 K N 1.475 121.907 120.400 0.052 0.000 2.682 357 K HA 0.294 4.655 4.320 0.067 0.000 0.189 357 K C -2.484 174.223 176.600 0.179 0.000 1.062 357 K CA -1.635 54.700 56.287 0.080 0.000 0.997 357 K CB 1.639 34.157 32.500 0.031 0.000 1.405 357 K HN 0.269 nan 8.250 nan 0.000 0.588 358 P HA 0.078 nan 4.420 nan 0.000 0.275 358 P C -0.216 177.176 177.300 0.154 0.000 1.266 358 P CA -0.800 62.387 63.100 0.146 0.000 0.793 358 P CB 0.775 32.508 31.700 0.057 0.000 1.074 359 L N 0.708 121.872 121.223 -0.099 0.000 2.281 359 L HA 0.392 4.773 4.340 0.067 0.000 0.285 359 L C -0.562 176.265 176.870 -0.072 0.000 1.074 359 L CA 0.722 55.345 54.840 -0.361 0.000 0.817 359 L CB -0.088 41.454 42.059 -0.862 0.000 1.168 359 L HN 0.256 nan 8.230 nan 0.000 0.434 360 T N 6.965 121.544 114.554 0.042 0.000 2.841 360 T HA 0.716 5.106 4.350 0.067 0.000 0.285 360 T C -0.856 173.946 174.700 0.170 0.000 0.991 360 T CA -0.122 61.992 62.100 0.023 0.000 0.966 360 T CB 0.682 69.563 68.868 0.021 0.000 0.962 360 T HN 0.496 nan 8.240 nan 0.000 0.438 361 F N -0.292 119.697 119.950 0.065 0.000 2.745 361 F HA 0.723 5.290 4.527 0.067 0.000 0.316 361 F C -1.313 174.552 175.800 0.108 0.000 1.155 361 F CA -1.370 56.710 58.000 0.134 0.000 0.937 361 F CB 0.876 40.067 39.000 0.318 0.000 1.361 361 F HN 0.203 nan 8.300 nan 0.000 0.472 362 D N 1.679 122.284 120.400 0.341 0.000 2.225 362 D HA 0.418 5.099 4.640 0.067 0.000 0.249 362 D C -1.097 175.391 176.300 0.314 0.000 1.052 362 D CA -0.080 54.051 54.000 0.218 0.000 0.909 362 D CB 2.547 43.469 40.800 0.202 0.000 1.186 362 D HN 0.693 nan 8.370 nan 0.000 0.431 363 L N 2.813 124.178 121.223 0.237 0.000 2.345 363 L HA 0.288 4.669 4.340 0.067 0.000 0.274 363 L C -1.370 175.690 176.870 0.317 0.000 0.999 363 L CA -0.894 54.129 54.840 0.305 0.000 0.849 363 L CB 1.099 43.309 42.059 0.252 0.000 1.220 363 L HN 0.155 nan 8.230 nan 0.000 0.422 364 L N 6.232 127.641 121.223 0.309 0.000 2.326 364 L HA 0.530 4.910 4.340 0.067 0.000 0.278 364 L C -0.999 176.084 176.870 0.356 0.000 1.092 364 L CA 0.124 55.116 54.840 0.253 0.000 0.810 364 L CB 0.986 43.160 42.059 0.191 0.000 1.153 364 L HN 0.519 nan 8.230 nan 0.000 0.439 365 Y N 2.646 123.025 120.300 0.130 0.000 2.571 365 Y HA 0.557 5.147 4.550 0.067 0.000 0.341 365 Y C -0.819 174.878 175.900 -0.338 0.000 1.076 365 Y CA -1.588 56.475 58.100 -0.061 0.000 1.029 365 Y CB 0.721 39.201 38.460 0.032 0.000 1.308 365 Y HN 0.721 nan 8.280 nan 0.000 0.461 366 N N 0.890 119.102 118.700 -0.812 0.000 2.514 366 N HA 0.098 4.878 4.740 0.067 0.000 0.277 366 N C -0.607 174.867 175.510 -0.060 0.000 1.126 366 N CA -0.266 52.410 53.050 -0.624 0.000 0.978 366 N CB 1.188 39.206 38.487 -0.782 0.000 1.106 366 N HN 0.808 nan 8.380 nan 0.000 0.461 367 T N 1.261 115.771 114.554 -0.073 0.000 2.718 367 T HA 0.057 4.447 4.350 0.067 0.000 0.265 367 T C 0.329 175.107 174.700 0.131 0.000 1.014 367 T CA 0.588 62.725 62.100 0.061 0.000 1.172 367 T CB -0.387 68.487 68.868 0.009 0.000 1.007 367 T HN 0.741 nan 8.240 nan 0.000 0.500 368 S N 1.773 117.585 115.700 0.186 0.000 2.675 368 S HA 0.159 4.669 4.470 0.067 0.000 0.297 368 S C 0.200 174.818 174.600 0.029 0.000 1.035 368 S CA -0.845 57.391 58.200 0.060 0.000 0.852 368 S CB 1.087 64.273 63.200 -0.023 0.000 1.051 368 S HN 0.559 nan 8.310 nan 0.000 0.451 369 D N 2.143 122.525 120.400 -0.031 0.000 2.097 369 D HA -0.077 4.603 4.640 0.067 0.000 0.197 369 D C 1.956 178.205 176.300 -0.085 0.000 0.984 369 D CA 1.328 55.305 54.000 -0.038 0.000 0.826 369 D CB -0.139 40.637 40.800 -0.039 0.000 0.973 369 D HN 0.413 nan 8.370 nan 0.000 0.460 370 L N 1.479 122.611 121.223 -0.151 0.000 1.989 370 L HA -0.206 4.174 4.340 0.067 0.000 0.211 370 L C 2.217 179.010 176.870 -0.128 0.000 1.071 370 L CA 1.932 56.662 54.840 -0.184 0.000 0.749 370 L CB -0.887 41.008 42.059 -0.273 0.000 0.890 370 L HN 0.089 nan 8.230 nan 0.000 0.431 371 H N -0.305 118.781 119.070 0.026 0.000 2.423 371 H HA -0.137 4.459 4.556 0.067 0.000 0.297 371 H C 2.203 177.320 175.328 -0.353 0.000 1.075 371 H CA 1.566 57.608 56.048 -0.011 0.000 1.342 371 H CB -0.230 29.591 29.762 0.099 0.000 1.395 371 H HN 0.460 nan 8.280 nan 0.000 0.530 372 K N 1.467 121.677 120.400 -0.317 0.000 2.025 372 K HA -0.112 4.248 4.320 0.067 0.000 0.207 372 K C 2.027 178.466 176.600 -0.268 0.000 1.049 372 K CA 1.152 57.117 56.287 -0.537 0.000 0.933 372 K CB 0.159 32.571 32.500 -0.146 0.000 0.714 372 K HN 0.093 nan 8.250 nan 0.000 0.438 373 K N 0.562 120.877 120.400 -0.141 0.000 2.097 373 K HA -0.093 4.268 4.320 0.067 0.000 0.206 373 K C 2.152 178.696 176.600 -0.093 0.000 1.049 373 K CA 1.352 57.580 56.287 -0.098 0.000 0.933 373 K CB -0.103 32.352 32.500 -0.076 0.000 0.717 373 K HN 0.206 nan 8.250 nan 0.000 0.442 374 L N 0.208 121.388 121.223 -0.071 0.000 2.093 374 L HA -0.137 4.243 4.340 0.067 0.000 0.208 374 L C 2.548 179.403 176.870 -0.025 0.000 1.085 374 L CA 1.008 55.830 54.840 -0.030 0.000 0.755 374 L CB -0.558 41.519 42.059 0.031 0.000 0.904 374 L HN 0.173 nan 8.230 nan 0.000 0.435 375 A N 0.195 122.971 122.820 -0.072 0.000 1.968 375 A HA -0.097 4.263 4.320 0.067 0.000 0.217 375 A C 2.207 179.711 177.584 -0.134 0.000 1.169 375 A CA 1.097 53.072 52.037 -0.102 0.000 0.638 375 A CB -0.494 18.392 19.000 -0.189 0.000 0.812 375 A HN 0.330 nan 8.150 nan 0.000 0.446 376 I N -0.289 120.204 120.570 -0.128 0.000 2.252 376 I HA -0.252 3.959 4.170 0.067 0.000 0.245 376 I C 2.936 178.996 176.117 -0.096 0.000 1.102 376 I CA 0.994 62.240 61.300 -0.089 0.000 1.385 376 I CB -0.264 37.695 38.000 -0.069 0.000 1.064 376 I HN 0.350 nan 8.210 nan 0.000 0.414 377 A N 0.332 123.090 122.820 -0.104 0.000 1.898 377 A HA -0.132 4.229 4.320 0.067 0.000 0.216 377 A C 2.418 179.899 177.584 -0.172 0.000 1.181 377 A CA 1.557 53.528 52.037 -0.110 0.000 0.620 377 A CB -0.878 18.064 19.000 -0.096 0.000 0.819 377 A HN 0.230 nan 8.150 nan 0.000 0.442 378 V N -0.127 119.633 119.914 -0.256 0.000 2.358 378 V HA -0.228 3.932 4.120 0.067 0.000 0.246 378 V C 3.053 178.871 176.094 -0.461 0.000 1.047 378 V CA 1.822 63.813 62.300 -0.516 0.000 1.035 378 V CB -1.201 30.172 31.823 -0.751 0.000 0.658 378 V HN 0.613 nan 8.190 nan 0.000 0.452 379 A N -0.644 122.034 122.820 -0.238 0.000 1.908 379 A HA -0.263 4.097 4.320 0.067 0.000 0.218 379 A C 2.569 180.139 177.584 -0.024 0.000 1.181 379 A CA 2.393 54.391 52.037 -0.066 0.000 0.627 379 A CB -0.843 18.129 19.000 -0.047 0.000 0.818 379 A HN 0.484 nan 8.150 nan 0.000 0.445 380 S N -0.477 115.188 115.700 -0.058 0.000 2.356 380 S HA -0.126 4.384 4.470 0.067 0.000 0.223 380 S C 1.919 176.512 174.600 -0.011 0.000 1.032 380 S CA 1.451 59.635 58.200 -0.028 0.000 1.005 380 S CB -0.531 62.646 63.200 -0.039 0.000 0.867 380 S HN 0.476 nan 8.310 nan 0.000 0.449 381 I N 0.084 120.616 120.570 -0.065 0.000 2.163 381 I HA -0.195 4.015 4.170 0.067 0.000 0.243 381 I C 2.191 178.355 176.117 0.079 0.000 1.085 381 I CA 1.199 62.473 61.300 -0.044 0.000 1.347 381 I CB -0.375 37.537 38.000 -0.146 0.000 1.044 381 I HN 0.433 nan 8.210 nan 0.000 0.408 382 W N 1.357 122.647 121.300 -0.017 0.000 2.402 382 W HA -0.147 4.553 4.660 0.068 0.000 0.286 382 W C 2.653 179.161 176.519 -0.018 0.000 1.221 382 W CA 0.931 58.270 57.345 -0.010 0.000 1.257 382 W CB -0.728 28.725 29.460 -0.013 0.000 1.120 382 W HN 0.099 nan 8.180 nan 0.000 0.551 383 K N 1.121 121.635 120.400 0.190 0.000 2.001 383 K HA -0.155 4.206 4.320 0.067 0.000 0.208 383 K C 1.872 178.519 176.600 0.078 0.000 1.048 383 K CA 1.830 58.173 56.287 0.093 0.000 0.932 383 K CB -0.498 32.031 32.500 0.049 0.000 0.715 383 K HN -0.068 nan 8.250 nan 0.000 0.437 384 K N -0.096 120.347 120.400 0.072 0.000 2.025 384 K HA -0.034 4.326 4.320 0.067 0.000 0.207 384 K C 1.804 178.447 176.600 0.072 0.000 1.049 384 K CA 1.523 57.844 56.287 0.057 0.000 0.933 384 K CB -0.150 32.374 32.500 0.041 0.000 0.714 384 K HN 0.140 nan 8.250 nan 0.000 0.438 385 N N 0.221 118.983 118.700 0.103 0.000 2.376 385 N HA -0.059 4.721 4.740 0.067 0.000 0.177 385 N C 1.179 176.755 175.510 0.110 0.000 1.024 385 N CA 0.767 53.885 53.050 0.112 0.000 0.893 385 N CB 0.266 38.843 38.487 0.149 0.000 0.980 385 N HN 0.040 nan 8.380 nan 0.000 0.439 386 L N -1.483 119.809 121.223 0.116 0.000 3.039 386 L HA 0.416 4.796 4.340 0.067 0.000 0.269 386 L C 0.719 177.610 176.870 0.035 0.000 1.169 386 L CA 0.472 55.352 54.840 0.067 0.000 0.986 386 L CB 0.131 42.221 42.059 0.053 0.000 1.377 386 L HN 0.184 nan 8.230 nan 0.000 0.575 387 G N 0.727 109.555 108.800 0.047 0.000 2.176 387 G HA2 -0.208 3.793 3.960 0.067 0.000 0.252 387 G HA3 -0.208 3.793 3.960 0.067 0.000 0.252 387 G C 0.180 175.080 174.900 0.000 0.000 1.024 387 G CA 0.485 45.601 45.100 0.026 0.000 0.755 387 G HN 0.839 nan 8.290 nan 0.000 0.507 388 V N -2.747 117.165 119.914 -0.004 0.000 2.612 388 V HA 0.815 4.975 4.120 0.067 0.000 0.301 388 V C -0.038 176.014 176.094 -0.070 0.000 1.046 388 V CA -1.691 60.574 62.300 -0.058 0.000 0.946 388 V CB 1.903 33.678 31.823 -0.080 0.000 1.003 388 V HN 0.184 nan 8.190 nan 0.000 0.459 389 N N 2.321 120.943 118.700 -0.131 0.000 2.400 389 N HA 0.642 5.423 4.740 0.067 0.000 0.288 389 N C -1.104 174.216 175.510 -0.317 0.000 1.024 389 N CA -0.271 52.695 53.050 -0.141 0.000 0.894 389 N CB 2.106 40.544 38.487 -0.081 0.000 1.173 389 N HN 0.633 nan 8.380 nan 0.000 0.487 390 V N 2.355 122.108 119.914 -0.268 0.000 2.604 390 V HA 0.343 4.504 4.120 0.067 0.000 0.305 390 V C -0.502 175.504 176.094 -0.145 0.000 1.043 390 V CA -0.851 61.230 62.300 -0.366 0.000 0.888 390 V CB 1.895 33.524 31.823 -0.324 0.000 0.995 390 V HN 0.612 nan 8.190 nan 0.000 0.429 391 N N 4.229 122.869 118.700 -0.100 0.000 2.469 391 N HA 0.509 5.290 4.740 0.067 0.000 0.253 391 N C -1.067 174.478 175.510 0.059 0.000 0.970 391 N CA -0.649 52.399 53.050 -0.003 0.000 0.940 391 N CB 1.372 39.868 38.487 0.016 0.000 1.128 391 N HN 0.386 nan 8.380 nan 0.000 0.503 392 L N 2.303 123.582 121.223 0.094 0.000 2.416 392 L HA 0.207 4.588 4.340 0.067 0.000 0.272 392 L C 0.173 177.149 176.870 0.176 0.000 1.161 392 L CA 0.574 55.531 54.840 0.195 0.000 0.845 392 L CB 0.364 42.568 42.059 0.241 0.000 1.119 392 L HN 0.521 nan 8.230 nan 0.000 0.464 393 E N 2.978 123.277 120.200 0.165 0.000 2.263 393 E HA 0.306 4.697 4.350 0.067 0.000 0.268 393 E C -1.139 175.287 176.600 -0.291 0.000 0.884 393 E CA -0.803 55.600 56.400 0.004 0.000 0.766 393 E CB 1.564 31.285 29.700 0.033 0.000 1.196 393 E HN 0.564 nan 8.360 nan 0.000 0.416 394 N N 2.792 121.236 118.700 -0.426 0.000 2.456 394 N HA 0.276 5.057 4.740 0.067 0.000 0.296 394 N C -0.636 174.687 175.510 -0.313 0.000 1.102 394 N CA -0.575 52.023 53.050 -0.754 0.000 0.924 394 N CB 1.988 40.085 38.487 -0.651 0.000 1.186 394 N HN 0.434 nan 8.380 nan 0.000 0.492 395 Q N 0.092 119.743 119.800 -0.248 0.000 2.389 395 Q HA 0.262 4.643 4.340 0.067 0.000 0.277 395 Q C -0.995 174.986 176.000 -0.032 0.000 1.082 395 Q CA -0.872 54.889 55.803 -0.070 0.000 0.810 395 Q CB 2.223 30.984 28.738 0.038 0.000 1.374 395 Q HN 0.524 nan 8.270 nan 0.000 0.422 396 E N 0.969 121.187 120.200 0.030 0.000 2.404 396 E HA -0.104 4.286 4.350 0.067 0.000 0.261 396 E C 0.445 177.163 176.600 0.197 0.000 1.074 396 E CA 0.110 56.562 56.400 0.088 0.000 0.917 396 E CB 0.439 30.190 29.700 0.084 0.000 0.965 396 E HN 0.717 nan 8.360 nan 0.000 0.433 397 W N 3.325 124.627 121.300 0.003 0.000 2.290 397 W HA -0.374 4.326 4.660 0.068 0.000 0.328 397 W C 1.841 178.458 176.519 0.163 0.000 1.272 397 W CA 2.169 59.565 57.345 0.086 0.000 1.262 397 W CB -0.019 29.462 29.460 0.035 0.000 1.151 397 W HN 0.570 nan 8.180 nan 0.000 0.473 398 K N -0.543 119.954 120.400 0.160 0.000 2.063 398 K HA -0.184 4.177 4.320 0.067 0.000 0.208 398 K C 1.954 178.537 176.600 -0.027 0.000 1.048 398 K CA 2.272 58.553 56.287 -0.010 0.000 0.928 398 K CB -0.415 32.135 32.500 0.082 0.000 0.713 398 K HN 0.034 nan 8.250 nan 0.000 0.442 399 T N 0.806 115.385 114.554 0.042 0.000 2.777 399 T HA -0.129 4.261 4.350 0.067 0.000 0.266 399 T C 1.346 176.055 174.700 0.014 0.000 1.040 399 T CA 1.219 63.334 62.100 0.025 0.000 1.141 399 T CB -0.386 68.510 68.868 0.046 0.000 0.868 399 T HN 0.311 nan 8.240 nan 0.000 0.444 400 F N 2.134 122.004 119.950 -0.133 0.000 2.091 400 F HA -0.125 4.442 4.527 0.067 0.000 0.299 400 F C 1.858 177.485 175.800 -0.289 0.000 1.103 400 F CA 1.286 59.169 58.000 -0.196 0.000 1.228 400 F CB -0.636 38.272 39.000 -0.152 0.000 0.984 400 F HN 0.058 nan 8.300 nan 0.000 0.477 401 L N -0.037 120.919 121.223 -0.445 0.000 2.093 401 L HA -0.191 4.190 4.340 0.067 0.000 0.208 401 L C 2.198 178.906 176.870 -0.271 0.000 1.085 401 L CA 1.786 56.291 54.840 -0.559 0.000 0.755 401 L CB -0.889 40.865 42.059 -0.509 0.000 0.904 401 L HN 0.215 nan 8.230 nan 0.000 0.435 402 D N -0.507 119.805 120.400 -0.146 0.000 2.117 402 D HA -0.178 4.503 4.640 0.067 0.000 0.198 402 D C 1.991 178.255 176.300 -0.059 0.000 0.982 402 D CA 1.589 55.566 54.000 -0.040 0.000 0.828 402 D CB 0.187 40.968 40.800 -0.031 0.000 0.967 402 D HN 0.077 nan 8.370 nan 0.000 0.464 403 T N -0.239 114.238 114.554 -0.128 0.000 2.665 403 T HA -0.171 4.220 4.350 0.067 0.000 0.268 403 T C 2.004 176.603 174.700 -0.169 0.000 1.035 403 T CA 1.330 63.361 62.100 -0.115 0.000 1.151 403 T CB -0.219 68.573 68.868 -0.127 0.000 0.862 403 T HN 0.187 nan 8.240 nan 0.000 0.438 404 R N -0.128 120.094 120.500 -0.463 0.000 2.081 404 R HA -0.052 4.329 4.340 0.067 0.000 0.235 404 R C 2.499 178.718 176.300 -0.136 0.000 1.131 404 R CA 1.154 56.886 56.100 -0.613 0.000 0.960 404 R CB -0.303 29.416 30.300 -0.968 0.000 0.856 404 R HN 0.509 nan 8.270 nan 0.000 0.436 405 H N 0.609 119.629 119.070 -0.083 0.000 2.423 405 H HA -0.059 4.537 4.556 0.067 0.000 0.297 405 H C 1.939 177.358 175.328 0.151 0.000 1.075 405 H CA 1.239 57.306 56.048 0.031 0.000 1.342 405 H CB 0.198 29.930 29.762 -0.050 0.000 1.395 405 H HN 0.359 nan 8.280 nan 0.000 0.530 406 Q N -0.395 119.516 119.800 0.185 0.000 2.230 406 Q HA -0.002 4.378 4.340 0.067 0.000 0.202 406 Q C 1.124 177.161 176.000 0.062 0.000 0.963 406 Q CA 0.731 56.604 55.803 0.116 0.000 0.866 406 Q CB 0.410 29.186 28.738 0.064 0.000 0.931 406 Q HN 0.618 nan 8.270 nan 0.000 0.452 407 G N 1.504 110.387 108.800 0.139 0.000 2.149 407 G HA2 -0.234 3.767 3.960 0.067 0.000 0.235 407 G HA3 -0.234 3.767 3.960 0.067 0.000 0.235 407 G C 0.253 175.178 174.900 0.042 0.000 1.018 407 G CA 0.439 45.503 45.100 -0.060 0.000 0.728 407 G HN 0.366 nan 8.290 nan 0.000 0.508 408 T N -0.982 113.692 114.554 0.199 0.000 3.389 408 T HA 0.621 5.011 4.350 0.067 0.000 0.238 408 T C -0.050 174.791 174.700 0.235 0.000 1.178 408 T CA 0.051 62.226 62.100 0.125 0.000 1.117 408 T CB -0.544 68.368 68.868 0.074 0.000 1.177 408 T HN 1.606 nan 8.240 nan 0.000 0.653 409 F N -1.730 118.184 119.950 -0.058 0.000 2.779 409 F HA 0.722 5.290 4.527 0.068 0.000 0.316 409 F C -0.948 174.806 175.800 -0.078 0.000 1.164 409 F CA -1.335 56.637 58.000 -0.047 0.000 0.924 409 F CB 0.676 39.639 39.000 -0.063 0.000 1.348 409 F HN -0.133 nan 8.300 nan 0.000 0.467 410 D N 0.457 120.809 120.400 -0.080 0.000 3.032 410 D HA 0.309 4.989 4.640 0.067 0.000 0.280 410 D C -0.418 175.525 176.300 -0.596 0.000 1.381 410 D CA 1.125 54.865 54.000 -0.433 0.000 1.068 410 D CB 0.703 41.459 40.800 -0.074 0.000 1.148 410 D HN 0.247 nan 8.370 nan 0.000 0.401 411 V N 0.458 120.321 119.914 -0.085 0.000 2.735 411 V HA 0.767 4.928 4.120 0.067 0.000 0.310 411 V C -0.791 175.526 176.094 0.372 0.000 1.061 411 V CA -0.893 61.456 62.300 0.082 0.000 0.913 411 V CB 1.879 33.731 31.823 0.047 0.000 1.005 411 V HN 0.316 nan 8.190 nan 0.000 0.428 412 A N 3.808 126.830 122.820 0.336 0.000 2.414 412 A HA 0.778 5.138 4.320 0.067 0.000 0.306 412 A C -0.330 177.366 177.584 0.187 0.000 1.054 412 A CA -0.776 51.374 52.037 0.187 0.000 0.724 412 A CB 1.635 20.462 19.000 -0.289 0.000 1.267 412 A HN 0.748 nan 8.150 nan 0.000 0.418 413 R N 1.115 121.762 120.500 0.245 0.000 2.640 413 R HA 0.454 4.835 4.340 0.067 0.000 0.270 413 R C -0.316 175.800 176.300 -0.306 0.000 1.024 413 R CA 1.117 57.153 56.100 -0.106 0.000 1.085 413 R CB 0.408 30.696 30.300 -0.019 0.000 0.963 413 R HN 1.252 nan 8.270 nan 0.000 0.426 414 A N 1.787 124.152 122.820 -0.759 0.000 2.609 414 A HA 0.712 5.073 4.320 0.067 0.000 0.291 414 A C -1.070 176.027 177.584 -0.812 0.000 1.096 414 A CA -0.141 51.434 52.037 -0.771 0.000 0.684 414 A CB 2.023 20.270 19.000 -1.255 0.000 1.282 414 A HN 0.808 nan 8.150 nan 0.000 0.412 415 G N -0.380 108.251 108.800 -0.281 0.000 2.761 415 G HA2 0.519 4.519 3.960 0.067 0.000 0.296 415 G HA3 0.519 4.519 3.960 0.067 0.000 0.296 415 G C -1.513 173.604 174.900 0.362 0.000 1.416 415 G CA -0.201 44.975 45.100 0.127 0.000 1.105 415 G HN 0.956 nan 8.290 nan 0.000 0.565 416 W N 2.693 124.142 121.300 0.248 0.000 2.656 416 W HA 0.574 5.277 4.660 0.071 0.000 0.327 416 W C -1.148 175.232 176.519 -0.231 0.000 1.041 416 W CA -0.792 56.531 57.345 -0.036 0.000 1.229 416 W CB 2.093 31.484 29.460 -0.115 0.000 1.397 416 W HN 0.557 nan 8.180 nan 0.000 0.479 417 c N 3.851 121.936 118.600 -0.858 0.000 2.456 417 c HA 0.675 5.286 4.570 0.067 0.000 0.325 417 c C 0.824 174.371 174.090 -0.904 0.000 1.217 417 c CA -0.507 55.401 56.329 -0.702 0.000 1.687 417 c CB 0.740 42.887 42.510 -0.606 0.000 2.270 417 c HN 0.699 nan 8.230 nan 0.000 0.499 418 A N 2.066 124.604 122.820 -0.469 0.000 2.531 418 A HA 0.190 4.551 4.320 0.067 0.000 0.236 418 A C 0.817 178.235 177.584 -0.278 0.000 1.062 418 A CA 0.401 52.228 52.037 -0.350 0.000 0.760 418 A CB 0.193 19.149 19.000 -0.073 0.000 0.995 418 A HN 0.936 nan 8.150 nan 0.000 0.501 419 D N -0.749 119.533 120.400 -0.197 0.000 2.338 419 D HA 0.151 4.831 4.640 0.067 0.000 0.208 419 D C -0.272 176.156 176.300 0.214 0.000 0.997 419 D CA 1.426 55.456 54.000 0.050 0.000 0.880 419 D CB 0.178 41.057 40.800 0.132 0.000 0.980 419 D HN 0.686 nan 8.370 nan 0.000 0.509 420 Y N -1.246 119.080 120.300 0.044 0.000 2.534 420 Y HA 0.489 5.078 4.550 0.065 0.000 0.345 420 Y C -0.617 175.270 175.900 -0.020 0.000 1.031 420 Y CA -1.593 56.516 58.100 0.014 0.000 1.022 420 Y CB 0.500 38.958 38.460 -0.003 0.000 1.292 420 Y HN -0.400 nan 8.280 nan 0.000 0.459 421 N N 3.151 121.886 118.700 0.059 0.000 2.605 421 N HA 0.198 4.978 4.740 0.067 0.000 0.258 421 N C -1.128 174.336 175.510 -0.077 0.000 1.156 421 N CA 0.452 53.480 53.050 -0.038 0.000 1.008 421 N CB -0.187 38.314 38.487 0.023 0.000 1.354 421 N HN 0.786 nan 8.380 nan 0.000 0.509 422 E N 2.809 122.870 120.200 -0.233 0.000 2.400 422 E HA 0.203 4.593 4.350 0.067 0.000 0.285 422 E C -2.416 173.916 176.600 -0.447 0.000 1.005 422 E CA -1.358 54.862 56.400 -0.300 0.000 0.816 422 E CB 1.720 31.240 29.700 -0.300 0.000 1.220 422 E HN 0.102 nan 8.360 nan 0.000 0.426 423 P HA -0.135 nan 4.420 nan 0.000 0.219 423 P C 1.182 178.122 177.300 -0.600 0.000 1.146 423 P CA 2.034 64.757 63.100 -0.630 0.000 0.808 423 P CB 0.121 31.270 31.700 -0.918 0.000 0.779 424 T N -4.531 109.639 114.554 -0.640 0.000 3.007 424 T HA -0.099 4.291 4.350 0.067 0.000 0.270 424 T C 1.972 176.477 174.700 -0.325 0.000 1.107 424 T CA 1.256 63.147 62.100 -0.349 0.000 1.118 424 T CB -1.154 67.662 68.868 -0.088 0.000 0.889 424 T HN -0.009 nan 8.240 nan 0.000 0.506 425 S N -0.189 115.171 115.700 -0.567 0.000 2.419 425 S HA 0.005 4.515 4.470 0.067 0.000 0.233 425 S C 1.296 175.759 174.600 -0.229 0.000 1.016 425 S CA 0.718 58.526 58.200 -0.652 0.000 0.974 425 S CB -0.557 61.953 63.200 -1.149 0.000 0.786 425 S HN 0.579 nan 8.310 nan 0.000 0.492 426 F N 0.767 120.517 119.950 -0.332 0.000 2.243 426 F HA 0.340 4.905 4.527 0.064 0.000 0.287 426 F C 1.926 177.551 175.800 -0.291 0.000 1.067 426 F CA 0.467 58.227 58.000 -0.400 0.000 1.304 426 F CB -0.410 38.216 39.000 -0.623 0.000 1.087 426 F HN 0.097 nan 8.300 nan 0.000 0.513 427 L N 0.071 121.288 121.223 -0.010 0.000 2.131 427 L HA -0.232 4.148 4.340 0.067 0.000 0.210 427 L C 1.873 178.819 176.870 0.128 0.000 1.092 427 L CA 0.917 55.850 54.840 0.154 0.000 0.759 427 L CB -0.643 41.466 42.059 0.084 0.000 0.903 427 L HN 0.144 nan 8.230 nan 0.000 0.435 428 N N -0.476 118.135 118.700 -0.148 0.000 2.364 428 N HA -0.136 4.644 4.740 0.067 0.000 0.183 428 N C 1.864 177.241 175.510 -0.221 0.000 1.022 428 N CA 1.707 54.586 53.050 -0.285 0.000 0.883 428 N CB -0.367 37.548 38.487 -0.953 0.000 0.965 428 N HN 0.452 nan 8.380 nan 0.000 0.438 429 T N -2.453 111.944 114.554 -0.262 0.000 3.113 429 T HA 0.061 4.451 4.350 0.067 0.000 0.263 429 T C 1.391 175.978 174.700 -0.190 0.000 1.143 429 T CA 0.545 62.484 62.100 -0.268 0.000 1.090 429 T CB 0.019 68.479 68.868 -0.679 0.000 0.922 429 T HN -0.033 nan 8.240 nan 0.000 0.521 430 M N 0.640 120.184 119.600 -0.093 0.000 2.371 430 M HA 0.432 4.953 4.480 0.067 0.000 0.246 430 M C 0.290 176.619 176.300 0.048 0.000 1.103 430 M CA -0.213 54.989 55.300 -0.163 0.000 1.010 430 M CB -0.465 31.811 32.600 -0.541 0.000 1.457 430 M HN 0.287 nan 8.290 nan 0.000 0.486 431 L N 0.189 121.535 121.223 0.206 0.000 2.456 431 L HA 0.035 4.416 4.340 0.067 0.000 0.272 431 L C 1.762 178.697 176.870 0.108 0.000 1.189 431 L CA -0.274 54.714 54.840 0.248 0.000 0.846 431 L CB 0.460 42.648 42.059 0.215 0.000 1.111 431 L HN 0.185 nan 8.230 nan 0.000 0.475 432 S N 1.030 116.776 115.700 0.077 0.000 2.380 432 S HA -0.196 4.314 4.470 0.067 0.000 0.229 432 S C 1.096 175.704 174.600 0.013 0.000 1.043 432 S CA 1.928 60.132 58.200 0.006 0.000 1.038 432 S CB -0.255 62.944 63.200 -0.002 0.000 0.872 432 S HN 0.908 nan 8.310 nan 0.000 0.456 433 D N 0.429 120.853 120.400 0.039 0.000 2.358 433 D HA 0.165 4.845 4.640 0.067 0.000 0.224 433 D C 0.230 176.554 176.300 0.040 0.000 1.123 433 D CA -0.072 53.948 54.000 0.034 0.000 0.833 433 D CB -0.301 40.522 40.800 0.039 0.000 0.946 433 D HN 0.144 nan 8.370 nan 0.000 0.505 434 S N 0.281 116.013 115.700 0.054 0.000 2.549 434 S HA 0.135 4.646 4.470 0.067 0.000 0.279 434 S C 1.566 176.169 174.600 0.004 0.000 1.321 434 S CA 0.050 58.294 58.200 0.073 0.000 1.054 434 S CB 0.875 64.137 63.200 0.104 0.000 0.899 434 S HN 0.287 nan 8.310 nan 0.000 0.497 435 S N 3.881 119.571 115.700 -0.017 0.000 2.447 435 S HA -0.094 4.417 4.470 0.067 0.000 0.233 435 S C 0.918 175.506 174.600 -0.020 0.000 1.006 435 S CA 1.185 59.361 58.200 -0.040 0.000 0.957 435 S CB -0.639 62.512 63.200 -0.082 0.000 0.773 435 S HN 0.855 nan 8.310 nan 0.000 0.507 436 N N 1.656 120.314 118.700 -0.070 0.000 2.322 436 N HA 0.154 4.935 4.740 0.067 0.000 0.194 436 N C -0.055 175.302 175.510 -0.254 0.000 1.126 436 N CA -0.087 52.870 53.050 -0.155 0.000 0.845 436 N CB -0.021 38.293 38.487 -0.288 0.000 0.976 436 N HN 0.242 nan 8.380 nan 0.000 0.475 437 N N 1.220 119.797 118.700 -0.204 0.000 2.605 437 N HA 0.008 4.789 4.740 0.067 0.000 0.258 437 N C 0.496 175.734 175.510 -0.455 0.000 1.156 437 N CA 0.141 53.021 53.050 -0.284 0.000 1.008 437 N CB 0.287 38.660 38.487 -0.190 0.000 1.354 437 N HN 0.198 nan 8.380 nan 0.000 0.509 438 T N -1.181 113.098 114.554 -0.457 0.000 3.113 438 T HA 0.110 4.501 4.350 0.067 0.000 0.256 438 T C 1.565 176.130 174.700 -0.226 0.000 1.131 438 T CA 0.413 62.214 62.100 -0.499 0.000 1.074 438 T CB 0.163 68.717 68.868 -0.523 0.000 0.944 438 T HN 0.285 nan 8.240 nan 0.000 0.516 439 A N 0.995 123.700 122.820 -0.193 0.000 2.119 439 A HA 0.137 4.498 4.320 0.067 0.000 0.216 439 A C 0.852 178.477 177.584 0.067 0.000 1.152 439 A CA 0.617 52.642 52.037 -0.019 0.000 0.708 439 A CB -0.872 18.049 19.000 -0.132 0.000 0.805 439 A HN 0.710 nan 8.150 nan 0.000 0.460 440 H N -3.583 115.480 119.070 -0.012 0.000 2.770 440 H HA -0.228 4.369 4.556 0.068 0.000 0.309 440 H C -0.339 174.991 175.328 0.004 0.000 1.206 440 H CA 0.984 57.023 56.048 -0.016 0.000 1.147 440 H CB -2.253 27.485 29.762 -0.041 0.000 1.422 440 H HN 0.682 nan 8.280 nan 0.000 0.420 441 Y N 1.333 121.574 120.300 -0.098 0.000 2.313 441 Y HA 0.437 5.027 4.550 0.068 0.000 0.332 441 Y C -0.219 175.616 175.900 -0.108 0.000 1.071 441 Y CA -0.779 57.245 58.100 -0.127 0.000 1.169 441 Y CB 0.846 39.167 38.460 -0.231 0.000 1.192 441 Y HN 0.098 nan 8.280 nan 0.000 0.487 442 K N 5.007 125.082 120.400 -0.542 0.000 2.656 442 K HA 0.309 4.670 4.320 0.067 0.000 0.241 442 K C -1.363 174.910 176.600 -0.546 0.000 0.967 442 K CA -0.541 55.491 56.287 -0.426 0.000 0.946 442 K CB 1.521 33.910 32.500 -0.184 0.000 1.164 442 K HN 0.555 nan 8.250 nan 0.000 0.459 443 S N 3.438 118.798 115.700 -0.566 0.000 2.707 443 S HA 0.376 4.887 4.470 0.067 0.000 0.312 443 S C -2.192 172.377 174.600 -0.051 0.000 1.116 443 S CA -1.747 56.261 58.200 -0.319 0.000 1.078 443 S CB 1.129 64.119 63.200 -0.351 0.000 0.997 443 S HN 0.212 nan 8.310 nan 0.000 0.477 444 P HA -0.029 nan 4.420 nan 0.000 0.216 444 P C 1.419 178.749 177.300 0.049 0.000 1.150 444 P CA 1.380 64.488 63.100 0.015 0.000 0.837 444 P CB 0.115 31.814 31.700 -0.001 0.000 0.786 445 A N -1.167 121.690 122.820 0.063 0.000 1.902 445 A HA -0.190 4.171 4.320 0.067 0.000 0.217 445 A C 2.116 179.772 177.584 0.121 0.000 1.181 445 A CA 1.319 53.405 52.037 0.081 0.000 0.623 445 A CB -1.803 17.250 19.000 0.089 0.000 0.818 445 A HN 0.173 nan 8.150 nan 0.000 0.443 446 F N 1.172 121.151 119.950 0.048 0.000 2.146 446 F HA -0.166 4.401 4.527 0.067 0.000 0.298 446 F C 1.752 177.597 175.800 0.074 0.000 1.096 446 F CA 2.034 60.091 58.000 0.095 0.000 1.275 446 F CB -0.138 38.978 39.000 0.193 0.000 1.008 446 F HN 0.219 nan 8.300 nan 0.000 0.480 447 D N 0.467 120.978 120.400 0.185 0.000 2.123 447 D HA -0.201 4.479 4.640 0.067 0.000 0.196 447 D C 2.104 178.394 176.300 -0.016 0.000 0.992 447 D CA 1.376 55.429 54.000 0.089 0.000 0.833 447 D CB -0.375 40.492 40.800 0.111 0.000 0.954 447 D HN 0.172 nan 8.370 nan 0.000 0.455 448 K N 0.857 121.253 120.400 -0.007 0.000 2.057 448 K HA -0.043 4.318 4.320 0.067 0.000 0.207 448 K C 2.114 178.681 176.600 -0.056 0.000 1.049 448 K CA 0.796 57.072 56.287 -0.018 0.000 0.931 448 K CB -0.607 31.892 32.500 -0.001 0.000 0.714 448 K HN 0.129 nan 8.250 nan 0.000 0.440 449 L N 0.308 121.468 121.223 -0.104 0.000 2.012 449 L HA -0.188 4.192 4.340 0.067 0.000 0.210 449 L C 2.204 178.991 176.870 -0.139 0.000 1.073 449 L CA 0.873 55.636 54.840 -0.129 0.000 0.748 449 L CB -0.467 41.496 42.059 -0.160 0.000 0.891 449 L HN 0.178 nan 8.230 nan 0.000 0.431 450 I N -0.013 120.431 120.570 -0.210 0.000 2.315 450 I HA -0.195 4.015 4.170 0.067 0.000 0.248 450 I C 2.845 178.966 176.117 0.008 0.000 1.117 450 I CA 1.427 62.671 61.300 -0.093 0.000 1.404 450 I CB -1.606 36.302 38.000 -0.153 0.000 1.071 450 I HN 0.169 nan 8.210 nan 0.000 0.419 451 A N 0.836 123.657 122.820 0.002 0.000 1.948 451 A HA -0.235 4.125 4.320 0.067 0.000 0.220 451 A C 1.908 179.489 177.584 -0.004 0.000 1.177 451 A CA 2.085 54.137 52.037 0.025 0.000 0.636 451 A CB -0.660 18.353 19.000 0.023 0.000 0.815 451 A HN 0.362 nan 8.150 nan 0.000 0.449 452 D N -0.518 119.869 120.400 -0.022 0.000 2.264 452 D HA -0.093 4.588 4.640 0.067 0.000 0.208 452 D C 2.206 178.480 176.300 -0.043 0.000 0.966 452 D CA 1.669 55.649 54.000 -0.034 0.000 0.864 452 D CB -0.580 40.195 40.800 -0.043 0.000 0.933 452 D HN 0.670 nan 8.370 nan 0.000 0.499 453 T N -1.466 113.066 114.554 -0.036 0.000 2.881 453 T HA -0.096 4.294 4.350 0.067 0.000 0.270 453 T C 1.775 176.475 174.700 -0.000 0.000 1.068 453 T CA 0.695 62.765 62.100 -0.050 0.000 1.131 453 T CB -0.216 68.657 68.868 0.007 0.000 0.871 453 T HN 0.170 nan 8.240 nan 0.000 0.479 454 L N -0.854 120.369 121.223 0.001 0.000 2.728 454 L HA 0.410 4.790 4.340 0.067 0.000 0.238 454 L C 2.094 178.941 176.870 -0.038 0.000 1.143 454 L CA 0.002 54.831 54.840 -0.019 0.000 0.937 454 L CB 0.155 42.160 42.059 -0.091 0.000 1.225 454 L HN 0.123 nan 8.230 nan 0.000 0.507 455 K N -0.056 120.325 120.400 -0.033 0.000 2.393 455 K HA 0.088 4.448 4.320 0.067 0.000 0.193 455 K C 0.360 176.949 176.600 -0.018 0.000 1.026 455 K CA 0.097 56.368 56.287 -0.026 0.000 1.064 455 K CB 0.740 33.224 32.500 -0.026 0.000 0.833 455 K HN 0.161 nan 8.250 nan 0.000 0.521 456 V N -3.129 116.772 119.914 -0.021 0.000 2.850 456 V HA 0.734 4.895 4.120 0.067 0.000 0.315 456 V C -0.136 175.956 176.094 -0.004 0.000 1.064 456 V CA -0.923 61.367 62.300 -0.018 0.000 0.979 456 V CB 1.712 33.513 31.823 -0.036 0.000 1.039 456 V HN -0.103 nan 8.190 nan 0.000 0.452 457 A N 1.703 124.527 122.820 0.007 0.000 2.749 457 A HA 0.577 4.938 4.320 0.067 0.000 0.299 457 A C -0.117 177.481 177.584 0.022 0.000 1.105 457 A CA 0.031 52.083 52.037 0.025 0.000 0.987 457 A CB -0.711 18.318 19.000 0.048 0.000 1.180 457 A HN 0.969 nan 8.150 nan 0.000 0.528 458 D N -0.726 119.677 120.400 0.004 0.000 2.788 458 D HA 0.252 4.932 4.640 0.067 0.000 0.247 458 D C -0.305 175.987 176.300 -0.015 0.000 1.236 458 D CA -0.303 53.698 54.000 0.001 0.000 0.898 458 D CB 1.483 42.280 40.800 -0.005 0.000 1.401 458 D HN -0.021 nan 8.370 nan 0.000 0.549 459 D N 1.728 122.130 120.400 0.003 0.000 2.219 459 D HA -0.081 4.600 4.640 0.067 0.000 0.205 459 D C 1.367 177.651 176.300 -0.027 0.000 0.970 459 D CA 1.058 55.058 54.000 0.001 0.000 0.851 459 D CB 0.407 41.230 40.800 0.038 0.000 0.943 459 D HN 0.465 nan 8.370 nan 0.000 0.488 460 T N 0.518 115.059 114.554 -0.021 0.000 2.812 460 T HA -0.102 4.289 4.350 0.067 0.000 0.264 460 T C 1.943 176.607 174.700 -0.060 0.000 1.042 460 T CA 0.863 62.946 62.100 -0.029 0.000 1.140 460 T CB -0.031 68.830 68.868 -0.012 0.000 0.870 460 T HN 0.242 nan 8.240 nan 0.000 0.445 461 Q N 0.371 120.131 119.800 -0.067 0.000 2.123 461 Q HA 0.055 4.436 4.340 0.067 0.000 0.199 461 Q C 2.515 178.413 176.000 -0.170 0.000 0.966 461 Q CA 0.759 56.508 55.803 -0.090 0.000 0.845 461 Q CB -0.079 28.619 28.738 -0.067 0.000 0.907 461 Q HN 0.358 nan 8.270 nan 0.000 0.439 462 R N 0.263 120.637 120.500 -0.210 0.000 2.073 462 R HA -0.111 4.269 4.340 0.067 0.000 0.234 462 R C 2.297 178.178 176.300 -0.697 0.000 1.134 462 R CA 1.583 57.416 56.100 -0.446 0.000 0.952 462 R CB -0.039 30.079 30.300 -0.303 0.000 0.850 462 R HN 0.086 nan 8.270 nan 0.000 0.433 463 S N 0.537 116.031 115.700 -0.342 0.000 2.382 463 S HA -0.136 4.374 4.470 0.067 0.000 0.228 463 S C 1.553 176.083 174.600 -0.117 0.000 1.027 463 S CA 1.324 59.430 58.200 -0.156 0.000 0.991 463 S CB -0.107 63.084 63.200 -0.015 0.000 0.823 463 S HN 0.428 nan 8.310 nan 0.000 0.469 464 E N 0.705 120.831 120.200 -0.123 0.000 2.106 464 E HA -0.068 4.323 4.350 0.067 0.000 0.192 464 E C 1.997 178.549 176.600 -0.080 0.000 0.984 464 E CA 0.769 57.126 56.400 -0.072 0.000 0.806 464 E CB -0.214 29.449 29.700 -0.061 0.000 0.750 464 E HN 0.425 nan 8.360 nan 0.000 0.458 465 L N 0.077 121.204 121.223 -0.161 0.000 2.056 465 L HA -0.182 4.199 4.340 0.067 0.000 0.207 465 L C 2.312 179.144 176.870 -0.063 0.000 1.078 465 L CA 0.875 55.629 54.840 -0.143 0.000 0.749 465 L CB -0.369 41.561 42.059 -0.214 0.000 0.901 465 L HN 0.158 nan 8.230 nan 0.000 0.433 466 Y N -0.076 120.196 120.300 -0.046 0.000 2.181 466 Y HA -0.207 4.384 4.550 0.068 0.000 0.288 466 Y C 2.640 178.524 175.900 -0.027 0.000 1.146 466 Y CA 0.589 58.658 58.100 -0.051 0.000 1.164 466 Y CB -1.306 37.119 38.460 -0.059 0.000 0.982 466 Y HN 0.128 nan 8.280 nan 0.000 0.515 467 A N 0.450 123.342 122.820 0.120 0.000 1.902 467 A HA -0.174 4.186 4.320 0.067 0.000 0.217 467 A C 2.295 179.924 177.584 0.074 0.000 1.181 467 A CA 1.666 53.750 52.037 0.079 0.000 0.623 467 A CB -0.398 18.628 19.000 0.045 0.000 0.818 467 A HN 0.182 nan 8.150 nan 0.000 0.443 468 K N 0.073 120.503 120.400 0.051 0.000 2.097 468 K HA -0.036 4.324 4.320 0.067 0.000 0.206 468 K C 2.182 178.831 176.600 0.083 0.000 1.049 468 K CA 1.328 57.646 56.287 0.052 0.000 0.933 468 K CB -0.895 31.618 32.500 0.021 0.000 0.717 468 K HN 0.471 nan 8.250 nan 0.000 0.442 469 A N 1.798 124.661 122.820 0.072 0.000 1.930 469 A HA -0.151 4.210 4.320 0.067 0.000 0.217 469 A C 2.075 179.839 177.584 0.301 0.000 1.175 469 A CA 1.255 53.352 52.037 0.100 0.000 0.627 469 A CB -0.197 18.738 19.000 -0.108 0.000 0.815 469 A HN 0.206 nan 8.150 nan 0.000 0.443 470 E N 0.007 120.334 120.200 0.211 0.000 2.077 470 E HA -0.210 4.180 4.350 0.067 0.000 0.193 470 E C 2.177 178.873 176.600 0.159 0.000 0.989 470 E CA 1.358 57.867 56.400 0.181 0.000 0.800 470 E CB -0.356 29.413 29.700 0.115 0.000 0.746 470 E HN 0.775 nan 8.360 nan 0.000 0.452 471 Q N 0.247 120.132 119.800 0.140 0.000 2.124 471 Q HA -0.214 4.167 4.340 0.067 0.000 0.202 471 Q C 2.203 178.290 176.000 0.145 0.000 0.977 471 Q CA 1.438 57.317 55.803 0.128 0.000 0.850 471 Q CB -0.087 28.709 28.738 0.097 0.000 0.901 471 Q HN 0.100 nan 8.270 nan 0.000 0.429 472 Q N 0.844 120.754 119.800 0.183 0.000 2.079 472 Q HA -0.168 4.212 4.340 0.067 0.000 0.200 472 Q C 1.829 177.946 176.000 0.195 0.000 0.974 472 Q CA 1.154 57.088 55.803 0.218 0.000 0.840 472 Q CB -0.303 28.620 28.738 0.309 0.000 0.898 472 Q HN 0.321 nan 8.270 nan 0.000 0.430 473 L N 0.650 121.972 121.223 0.165 0.000 2.042 473 L HA -0.165 4.215 4.340 0.067 0.000 0.210 473 L C 1.819 178.639 176.870 -0.084 0.000 1.076 473 L CA 2.460 57.231 54.840 -0.114 0.000 0.749 473 L CB -0.782 41.162 42.059 -0.191 0.000 0.893 473 L HN 0.398 nan 8.230 nan 0.000 0.432 474 D N -0.602 119.822 120.400 0.039 0.000 2.117 474 D HA -0.256 4.424 4.640 0.067 0.000 0.197 474 D C 2.194 178.542 176.300 0.080 0.000 0.987 474 D CA 1.716 55.775 54.000 0.098 0.000 0.829 474 D CB -0.075 40.857 40.800 0.221 0.000 0.961 474 D HN 0.518 nan 8.370 nan 0.000 0.460 475 K N -0.342 120.115 120.400 0.096 0.000 2.148 475 K HA -0.101 4.260 4.320 0.067 0.000 0.204 475 K C 0.982 177.617 176.600 0.058 0.000 1.050 475 K CA 1.504 57.842 56.287 0.085 0.000 0.942 475 K CB 0.001 32.561 32.500 0.100 0.000 0.724 475 K HN 0.009 nan 8.250 nan 0.000 0.446 476 D N 0.832 121.268 120.400 0.061 0.000 2.340 476 D HA 0.034 4.714 4.640 0.067 0.000 0.220 476 D C -0.364 175.934 176.300 -0.003 0.000 1.039 476 D CA 0.355 54.396 54.000 0.067 0.000 0.866 476 D CB 0.290 41.207 40.800 0.195 0.000 0.913 476 D HN 0.138 nan 8.370 nan 0.000 0.523 477 S N 0.147 115.815 115.700 -0.053 0.000 3.447 477 S HA -0.252 4.258 4.470 0.067 0.000 0.371 477 S C 1.428 175.949 174.600 -0.131 0.000 0.951 477 S CA 0.301 58.443 58.200 -0.097 0.000 1.269 477 S CB -1.155 61.984 63.200 -0.101 0.000 0.919 477 S HN 0.517 nan 8.310 nan 0.000 0.516 478 A N 0.421 123.083 122.820 -0.262 0.000 1.930 478 A HA 0.271 4.631 4.320 0.067 0.000 0.217 478 A C 0.988 178.416 177.584 -0.261 0.000 1.175 478 A CA 1.449 53.254 52.037 -0.386 0.000 0.627 478 A CB -0.383 18.021 19.000 -0.994 0.000 0.815 478 A HN 1.063 nan 8.150 nan 0.000 0.443 479 I N -5.493 114.943 120.570 -0.223 0.000 3.239 479 I HA 0.656 4.866 4.170 0.067 0.000 0.314 479 I C -1.077 175.058 176.117 0.030 0.000 1.126 479 I CA -1.291 59.964 61.300 -0.076 0.000 0.973 479 I CB 2.337 40.230 38.000 -0.178 0.000 1.252 479 I HN -0.256 nan 8.210 nan 0.000 0.463 480 V N 2.696 122.721 119.914 0.185 0.000 2.257 480 V HA 0.388 4.549 4.120 0.067 0.000 0.269 480 V C -2.351 173.912 176.094 0.281 0.000 1.040 480 V CA -1.544 60.904 62.300 0.248 0.000 0.813 480 V CB 0.353 32.424 31.823 0.414 0.000 1.065 480 V HN 0.600 nan 8.190 nan 0.000 0.457 481 P HA 0.149 nan 4.420 nan 0.000 0.268 481 P C 0.497 177.906 177.300 0.182 0.000 1.204 481 P CA 0.382 63.580 63.100 0.163 0.000 0.768 481 P CB 1.453 33.210 31.700 0.096 0.000 0.842 482 V N 2.337 122.306 119.914 0.092 0.000 2.950 482 V HA 0.207 4.367 4.120 0.067 0.000 0.231 482 V C -0.114 176.002 176.094 0.036 0.000 1.205 482 V CA 1.029 63.385 62.300 0.093 0.000 1.239 482 V CB -0.478 31.383 31.823 0.063 0.000 1.050 482 V HN 0.585 nan 8.190 nan 0.000 0.498 483 Y N -2.316 117.897 120.300 -0.146 0.000 2.624 483 Y HA 0.730 5.320 4.550 0.066 0.000 0.334 483 Y C -1.685 174.044 175.900 -0.285 0.000 1.155 483 Y CA -2.469 55.464 58.100 -0.277 0.000 1.046 483 Y CB 0.524 38.865 38.460 -0.199 0.000 1.316 483 Y HN 0.072 nan 8.280 nan 0.000 0.457 484 Y N 1.677 122.190 120.300 0.354 0.000 2.327 484 Y HA 0.423 5.014 4.550 0.068 0.000 0.336 484 Y C -0.389 175.828 175.900 0.528 0.000 1.035 484 Y CA -0.946 57.371 58.100 0.361 0.000 1.165 484 Y CB 0.172 38.831 38.460 0.332 0.000 1.181 484 Y HN 0.542 nan 8.280 nan 0.000 0.494 485 Y N 1.713 122.324 120.300 0.518 0.000 2.357 485 Y HA 0.358 4.949 4.550 0.068 0.000 0.340 485 Y C 0.559 176.699 175.900 0.400 0.000 1.260 485 Y CA -0.827 57.573 58.100 0.499 0.000 1.425 485 Y CB 0.464 39.168 38.460 0.407 0.000 1.326 485 Y HN 0.405 nan 8.280 nan 0.000 0.580 486 V N -0.179 120.024 119.914 0.481 0.000 2.881 486 V HA 0.505 4.665 4.120 0.067 0.000 0.316 486 V C -0.433 175.851 176.094 0.317 0.000 1.070 486 V CA -1.306 61.184 62.300 0.317 0.000 0.976 486 V CB 1.913 33.809 31.823 0.121 0.000 1.038 486 V HN 0.744 nan 8.190 nan 0.000 0.446 487 N N 2.478 121.230 118.700 0.086 0.000 2.602 487 N HA 0.526 5.307 4.740 0.067 0.000 0.238 487 N C -0.350 175.082 175.510 -0.131 0.000 1.084 487 N CA 0.180 53.073 53.050 -0.262 0.000 0.952 487 N CB 0.589 38.670 38.487 -0.676 0.000 1.244 487 N HN 1.173 nan 8.380 nan 0.000 0.512 488 A N 4.053 126.819 122.820 -0.090 0.000 2.271 488 A HA 0.795 5.155 4.320 0.067 0.000 0.317 488 A C -0.142 177.376 177.584 -0.111 0.000 1.245 488 A CA -0.685 51.311 52.037 -0.069 0.000 0.857 488 A CB 0.574 19.507 19.000 -0.111 0.000 1.175 488 A HN 0.825 nan 8.150 nan 0.000 0.512 489 R N 1.441 121.883 120.500 -0.096 0.000 2.716 489 R HA 0.717 5.097 4.340 0.067 0.000 0.271 489 R C -1.867 174.316 176.300 -0.194 0.000 1.028 489 R CA -0.957 55.041 56.100 -0.170 0.000 0.883 489 R CB 0.875 31.033 30.300 -0.236 0.000 1.250 489 R HN 0.409 nan 8.270 nan 0.000 0.465 490 L N 1.374 122.391 121.223 -0.345 0.000 2.309 490 L HA 0.711 5.092 4.340 0.067 0.000 0.282 490 L C -0.695 175.954 176.870 -0.369 0.000 1.036 490 L CA -1.338 53.198 54.840 -0.506 0.000 0.806 490 L CB 1.881 43.235 42.059 -1.175 0.000 1.220 490 L HN 0.343 nan 8.230 nan 0.000 0.429 491 V N 2.778 122.595 119.914 -0.162 0.000 2.525 491 V HA 0.329 4.489 4.120 0.067 0.000 0.299 491 V C 0.006 176.034 176.094 -0.111 0.000 1.034 491 V CA -1.124 61.118 62.300 -0.097 0.000 0.863 491 V CB 1.791 33.523 31.823 -0.153 0.000 0.999 491 V HN 0.603 nan 8.190 nan 0.000 0.423 492 K N 4.750 124.968 120.400 -0.304 0.000 2.380 492 K HA 0.179 4.540 4.320 0.067 0.000 0.267 492 K C -1.647 174.489 176.600 -0.774 0.000 0.990 492 K CA -1.550 54.215 56.287 -0.871 0.000 0.946 492 K CB 0.916 32.309 32.500 -1.846 0.000 0.937 492 K HN 0.287 nan 8.250 nan 0.000 0.491 493 P HA -0.105 nan 4.420 nan 0.000 0.222 493 P C 0.666 177.849 177.300 -0.194 0.000 1.147 493 P CA 1.114 64.025 63.100 -0.314 0.000 0.790 493 P CB -0.045 31.563 31.700 -0.153 0.000 0.780 494 W N -1.850 119.338 121.300 -0.187 0.000 3.256 494 W HA 0.290 4.991 4.660 0.068 0.000 0.269 494 W C -0.442 175.978 176.519 -0.165 0.000 1.310 494 W CA -0.179 57.053 57.345 -0.188 0.000 1.673 494 W CB -1.242 27.965 29.460 -0.422 0.000 1.115 494 W HN -0.390 nan 8.180 nan 0.000 0.686 495 V N 3.160 122.944 119.914 -0.216 0.000 2.389 495 V HA 0.581 4.741 4.120 0.067 0.000 0.264 495 V C 0.915 176.848 176.094 -0.269 0.000 1.049 495 V CA -0.275 61.911 62.300 -0.190 0.000 0.932 495 V CB -0.024 31.664 31.823 -0.224 0.000 1.011 495 V HN 0.201 nan 8.190 nan 0.000 0.475 496 G N 2.660 111.125 108.800 -0.558 0.000 2.437 496 G HA2 0.560 4.560 3.960 0.067 0.000 0.319 496 G HA3 0.560 4.560 3.960 0.067 0.000 0.319 496 G C 0.830 175.245 174.900 -0.809 0.000 1.158 496 G CA 0.141 44.680 45.100 -0.934 0.000 0.899 496 G HN 1.436 nan 8.290 nan 0.000 0.502 497 G N -1.056 107.563 108.800 -0.302 0.000 2.195 497 G HA2 -0.256 3.745 3.960 0.067 0.000 0.224 497 G HA3 -0.256 3.745 3.960 0.067 0.000 0.224 497 G C 0.172 175.119 174.900 0.079 0.000 0.990 497 G CA 0.566 45.673 45.100 0.012 0.000 0.639 497 G HN 1.204 nan 8.290 nan 0.000 0.514 498 Y N 3.217 123.465 120.300 -0.086 0.000 2.594 498 Y HA 0.482 5.090 4.550 0.096 0.000 0.342 498 Y C 1.788 177.659 175.900 -0.048 0.000 1.010 498 Y CA 0.378 58.440 58.100 -0.064 0.000 1.270 498 Y CB 0.788 39.189 38.460 -0.098 0.000 1.125 498 Y HN 0.273 nan 8.280 nan 0.000 0.513 499 T N 0.704 115.048 114.554 -0.350 0.000 2.896 499 T HA 0.103 4.493 4.350 0.067 0.000 0.263 499 T C 1.711 176.127 174.700 -0.474 0.000 1.050 499 T CA 0.992 62.913 62.100 -0.299 0.000 1.140 499 T CB -0.595 68.180 68.868 -0.156 0.000 0.877 499 T HN 1.271 nan 8.240 nan 0.000 0.457 500 G N 1.194 109.521 108.800 -0.788 0.000 2.179 500 G HA2 -0.254 3.747 3.960 0.067 0.000 0.260 500 G HA3 -0.254 3.747 3.960 0.067 0.000 0.260 500 G C 0.972 175.693 174.900 -0.297 0.000 0.977 500 G CA 0.459 45.179 45.100 -0.634 0.000 0.641 500 G HN 0.491 nan 8.290 nan 0.000 0.533 501 K N 0.369 120.632 120.400 -0.227 0.000 2.366 501 K HA 0.034 4.395 4.320 0.067 0.000 0.198 501 K C 0.685 177.226 176.600 -0.098 0.000 1.044 501 K CA 0.524 56.735 56.287 -0.127 0.000 0.973 501 K CB 0.015 32.458 32.500 -0.096 0.000 0.767 501 K HN 0.506 nan 8.250 nan 0.000 0.475 502 D N 1.888 122.226 120.400 -0.103 0.000 2.325 502 D HA 0.035 4.716 4.640 0.067 0.000 0.251 502 D C -1.633 174.669 176.300 0.004 0.000 1.196 502 D CA -2.169 51.802 54.000 -0.048 0.000 0.866 502 D CB 1.376 42.164 40.800 -0.020 0.000 1.101 502 D HN -0.061 nan 8.370 nan 0.000 0.476 503 P HA -0.029 nan 4.420 nan 0.000 0.237 503 P C 1.172 178.601 177.300 0.214 0.000 1.178 503 P CA 0.408 63.593 63.100 0.142 0.000 0.766 503 P CB 0.442 32.230 31.700 0.147 0.000 0.876 504 L N -0.929 120.379 121.223 0.141 0.000 2.529 504 L HA 0.119 4.499 4.340 0.067 0.000 0.223 504 L C 0.531 177.501 176.870 0.167 0.000 1.113 504 L CA 0.333 55.259 54.840 0.143 0.000 0.861 504 L CB -1.029 41.076 42.059 0.077 0.000 1.012 504 L HN 0.016 nan 8.230 nan 0.000 0.461 505 D N 1.306 121.769 120.400 0.103 0.000 2.723 505 D HA -0.197 4.484 4.640 0.067 0.000 0.236 505 D C 0.041 176.361 176.300 0.033 0.000 1.138 505 D CA 0.302 54.327 54.000 0.041 0.000 0.676 505 D CB -0.886 39.875 40.800 -0.065 0.000 1.069 505 D HN 0.127 nan 8.370 nan 0.000 0.430 506 N N 1.250 119.972 118.700 0.036 0.000 3.124 506 N HA 0.107 4.888 4.740 0.067 0.000 0.284 506 N C 0.087 175.558 175.510 -0.064 0.000 1.209 506 N CA -0.187 52.842 53.050 -0.036 0.000 1.149 506 N CB 0.125 38.639 38.487 0.044 0.000 1.434 506 N HN 0.332 nan 8.380 nan 0.000 0.529 507 I N 1.658 122.180 120.570 -0.080 0.000 2.638 507 I HA 0.111 4.322 4.170 0.067 0.000 0.286 507 I C 0.151 176.157 176.117 -0.184 0.000 1.088 507 I CA -0.366 60.937 61.300 0.004 0.000 1.397 507 I CB -0.142 37.885 38.000 0.045 0.000 1.414 507 I HN 0.195 nan 8.210 nan 0.000 0.566 508 Y N 3.639 123.986 120.300 0.079 0.000 2.350 508 Y HA 0.283 4.869 4.550 0.060 0.000 0.338 508 Y C 1.024 176.975 175.900 0.084 0.000 0.961 508 Y CA -0.648 57.498 58.100 0.076 0.000 1.100 508 Y CB 1.693 40.203 38.460 0.083 0.000 1.179 508 Y HN 0.241 nan 8.280 nan 0.000 0.454 509 V N 3.092 123.110 119.914 0.173 0.000 2.759 509 V HA -0.271 3.889 4.120 0.067 0.000 0.256 509 V C 2.081 178.333 176.094 0.263 0.000 1.080 509 V CA 2.052 64.412 62.300 0.099 0.000 1.101 509 V CB -0.518 31.197 31.823 -0.180 0.000 0.698 509 V HN 0.801 nan 8.190 nan 0.000 0.477 510 K N 0.335 120.966 120.400 0.385 0.000 2.360 510 K HA -0.163 4.197 4.320 0.067 0.000 0.201 510 K C 1.296 178.016 176.600 0.199 0.000 1.046 510 K CA 1.672 58.122 56.287 0.271 0.000 0.945 510 K CB -0.291 32.283 32.500 0.123 0.000 0.750 510 K HN 0.396 nan 8.250 nan 0.000 0.464 511 N N 0.635 119.462 118.700 0.212 0.000 2.336 511 N HA 0.148 4.928 4.740 0.067 0.000 0.189 511 N C 0.181 175.827 175.510 0.227 0.000 1.113 511 N CA 0.286 53.456 53.050 0.200 0.000 0.858 511 N CB 0.175 38.782 38.487 0.201 0.000 0.970 511 N HN 0.194 nan 8.380 nan 0.000 0.471 512 L N 0.063 121.403 121.223 0.195 0.000 2.376 512 L HA 0.483 4.863 4.340 0.067 0.000 0.267 512 L C -0.670 176.331 176.870 0.219 0.000 1.035 512 L CA -1.182 53.725 54.840 0.111 0.000 0.800 512 L CB 0.940 43.010 42.059 0.018 0.000 1.290 512 L HN 0.079 nan 8.230 nan 0.000 0.462 513 Y N -1.462 118.890 120.300 0.087 0.000 2.624 513 Y HA 0.609 5.187 4.550 0.047 0.000 0.334 513 Y C -1.297 174.668 175.900 0.108 0.000 1.155 513 Y CA -1.429 56.724 58.100 0.088 0.000 1.046 513 Y CB 0.864 39.371 38.460 0.078 0.000 1.316 513 Y HN 0.102 nan 8.280 nan 0.000 0.457 514 I N 3.967 124.692 120.570 0.259 0.000 2.339 514 I HA 0.361 4.572 4.170 0.067 0.000 0.290 514 I C -0.075 176.219 176.117 0.294 0.000 0.994 514 I CA -1.056 60.385 61.300 0.235 0.000 1.191 514 I CB 0.988 39.109 38.000 0.202 0.000 1.343 514 I HN 0.634 nan 8.210 nan 0.000 0.458 515 I N 5.239 125.998 120.570 0.315 0.000 2.474 515 I HA 0.125 4.336 4.170 0.067 0.000 0.287 515 I C 0.979 177.265 176.117 0.281 0.000 1.048 515 I CA -0.512 60.967 61.300 0.299 0.000 1.383 515 I CB 0.496 38.666 38.000 0.284 0.000 1.412 515 I HN 0.477 nan 8.210 nan 0.000 0.531 516 K N 6.149 126.653 120.400 0.174 0.000 2.511 516 K HA -0.007 4.353 4.320 0.067 0.000 0.280 516 K C -0.356 176.322 176.600 0.129 0.000 1.008 516 K CA 0.509 56.846 56.287 0.083 0.000 1.050 516 K CB 0.231 32.750 32.500 0.031 0.000 0.889 516 K HN 0.699 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.003 119.070 -0.112 0.000 2.539 517 H HA 0.000 4.597 4.556 0.068 0.000 0.296 517 H CA 0.000 55.969 56.048 -0.131 0.000 1.023 517 H CB 0.000 29.655 29.762 -0.178 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496