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 1ez1_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLLGTALRPA ATRVMLLGSG ELGKEVAIEC QRLGVEVIAV DRYADAPAMH DATA SEQUENCE VAHRSHVINM LDGDALRRVV ELEKPHYIVP EIEAIATDML IQLEEEGLNV DATA SEQUENCE VPCARATKLT MNREGIRRLA AEELQLPTST YRFADSESLF REAVADIGYP DATA SEQUENCE CIVKPVMSSS GKGQTFIRSA EQLAQAWKYA QQGGRAXXGR VIVEGVVKFD DATA SEQUENCE FEITLLTVSA VDGVHFCAPV GHRQEDGDYR ESWQPQQMSP LALERAQEIA DATA SEQUENCE RKVVLALGGY GLFGVELFVC GDEVIFSEVS PRPHDTGMVT LISQDLSEFA DATA SEQUENCE LHVRAFLGLP VGGIRQYGPA ASAVILPQLT SQNVTFDNVQ NAVGADLQIR DATA SEQUENCE LFGKPEIDGS RRLGVALATA ESVVDAIERA KHAAGQVKVQ G 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.701 174.700 0.001 0.000 1.109 2 T CA 0.000 62.108 62.100 0.013 0.000 1.349 2 T CB 0.000 68.874 68.868 0.010 0.000 0.612 3 L N 3.766 124.990 121.223 0.002 0.000 2.341 3 L HA 0.839 5.179 4.340 0.001 0.000 0.278 3 L C -1.599 175.262 176.870 -0.015 0.000 1.005 3 L CA -0.581 54.253 54.840 -0.009 0.000 0.818 3 L CB 0.976 43.026 42.059 -0.014 0.000 1.259 3 L HN 0.669 nan 8.230 nan 0.000 0.418 4 L N 4.648 125.861 121.223 -0.017 0.000 2.346 4 L HA 0.762 5.102 4.340 0.001 0.000 0.274 4 L C 0.747 177.605 176.870 -0.021 0.000 1.007 4 L CA -0.647 54.182 54.840 -0.018 0.000 0.818 4 L CB 1.724 43.776 42.059 -0.012 0.000 1.284 4 L HN 0.760 nan 8.230 nan 0.000 0.424 5 G N 0.666 109.450 108.800 -0.026 0.000 2.510 5 G HA2 0.468 4.428 3.960 0.001 0.000 0.280 5 G HA3 0.468 4.428 3.960 0.001 0.000 0.280 5 G C -0.675 174.222 174.900 -0.005 0.000 1.386 5 G CA -0.277 44.813 45.100 -0.017 0.000 1.047 5 G HN 0.453 nan 8.290 nan 0.000 0.527 6 T N 0.704 115.255 114.554 -0.005 0.000 2.758 6 T HA 0.572 4.922 4.350 0.001 0.000 0.285 6 T C 0.542 175.229 174.700 -0.021 0.000 0.981 6 T CA 0.047 62.145 62.100 -0.004 0.000 0.965 6 T CB 1.150 70.017 68.868 -0.002 0.000 0.927 6 T HN 0.830 nan 8.240 nan 0.000 0.448 7 A N 3.534 126.334 122.820 -0.033 0.000 2.561 7 A HA 0.411 4.732 4.320 0.001 0.000 0.234 7 A C 1.323 178.816 177.584 -0.151 0.000 1.055 7 A CA 0.160 52.113 52.037 -0.139 0.000 0.756 7 A CB -0.612 18.251 19.000 -0.229 0.000 0.986 7 A HN 1.167 nan 8.150 nan 0.000 0.505 8 L N -0.928 120.178 121.223 -0.195 0.000 5.060 8 L HA -0.203 4.138 4.340 0.001 0.000 0.408 8 L C 0.782 177.621 176.870 -0.051 0.000 0.917 8 L CA 0.982 55.749 54.840 -0.121 0.000 1.627 8 L CB -1.246 40.758 42.059 -0.091 0.000 1.732 8 L HN 0.815 nan 8.230 nan 0.000 0.611 9 R N 0.199 120.677 120.500 -0.037 0.000 2.607 9 R HA 0.410 4.750 4.340 0.001 0.000 0.261 9 R C -1.341 174.957 176.300 -0.003 0.000 1.051 9 R CA -2.006 54.086 56.100 -0.014 0.000 1.110 9 R CB -0.323 29.972 30.300 -0.008 0.000 1.158 9 R HN -0.250 nan 8.270 nan 0.000 0.543 10 P HA -0.103 nan 4.420 nan 0.000 0.216 10 P C 0.478 177.794 177.300 0.027 0.000 1.150 10 P CA 1.576 64.683 63.100 0.012 0.000 0.843 10 P CB 0.147 31.852 31.700 0.009 0.000 0.787 11 A N -1.201 121.631 122.820 0.019 0.000 2.370 11 A HA 0.493 4.814 4.320 0.001 0.000 0.238 11 A C 0.946 178.542 177.584 0.019 0.000 1.289 11 A CA -0.060 51.989 52.037 0.020 0.000 0.885 11 A CB -1.113 17.889 19.000 0.003 0.000 0.961 11 A HN 0.207 nan 8.150 nan 0.000 0.499 12 A N 0.182 123.024 122.820 0.036 0.000 2.561 12 A HA 0.391 4.712 4.320 0.001 0.000 0.234 12 A C 0.579 178.215 177.584 0.088 0.000 1.055 12 A CA 0.602 52.663 52.037 0.040 0.000 0.756 12 A CB -0.224 18.787 19.000 0.018 0.000 0.986 12 A HN 0.342 nan 8.150 nan 0.000 0.505 13 T N 3.891 118.469 114.554 0.040 0.000 2.727 13 T HA 0.373 4.724 4.350 0.001 0.000 0.298 13 T C 0.196 175.062 174.700 0.276 0.000 0.942 13 T CA 0.012 62.127 62.100 0.025 0.000 0.997 13 T CB 0.064 68.948 68.868 0.027 0.000 0.917 13 T HN 0.592 nan 8.240 nan 0.000 0.487 14 R N 2.332 123.207 120.500 0.624 0.000 2.338 14 R HA 0.617 4.958 4.340 0.001 0.000 0.317 14 R C -0.994 175.514 176.300 0.347 0.000 0.968 14 R CA -0.682 55.625 56.100 0.345 0.000 0.849 14 R CB 1.675 32.059 30.300 0.139 0.000 1.128 14 R HN 0.347 nan 8.270 nan 0.000 0.448 15 V N 4.832 124.907 119.914 0.268 0.000 2.495 15 V HA 0.386 4.507 4.120 0.001 0.000 0.298 15 V C -0.238 175.937 176.094 0.135 0.000 1.031 15 V CA -0.651 61.794 62.300 0.243 0.000 0.871 15 V CB 1.798 33.776 31.823 0.258 0.000 0.988 15 V HN 0.720 nan 8.190 nan 0.000 0.432 16 M N 6.318 125.965 119.600 0.078 0.000 2.181 16 M HA 0.576 5.057 4.480 0.001 0.000 0.323 16 M C -1.664 174.647 176.300 0.018 0.000 1.004 16 M CA -0.513 54.816 55.300 0.049 0.000 0.941 16 M CB 1.259 33.874 32.600 0.025 0.000 1.579 16 M HN 0.507 nan 8.290 nan 0.000 0.427 17 L N 6.103 127.340 121.223 0.024 0.000 2.292 17 L HA 0.432 4.773 4.340 0.001 0.000 0.284 17 L C -0.945 175.923 176.870 -0.003 0.000 1.065 17 L CA -0.486 54.357 54.840 0.006 0.000 0.806 17 L CB 1.250 43.315 42.059 0.010 0.000 1.175 17 L HN 0.713 nan 8.230 nan 0.000 0.431 18 L N 4.350 125.565 121.223 -0.013 0.000 2.297 18 L HA 0.630 4.970 4.340 0.001 0.000 0.277 18 L C 0.244 177.103 176.870 -0.018 0.000 1.040 18 L CA -0.486 54.345 54.840 -0.015 0.000 0.867 18 L CB 0.941 42.990 42.059 -0.017 0.000 1.244 18 L HN 0.841 nan 8.230 nan 0.000 0.433 19 G N 1.401 110.187 108.800 -0.024 0.000 3.363 19 G HA2 -0.119 3.842 3.960 0.001 0.000 0.685 19 G HA3 -0.119 3.842 3.960 0.001 0.000 0.685 19 G C -0.276 174.597 174.900 -0.044 0.000 1.199 19 G CA -0.790 44.293 45.100 -0.028 0.000 0.946 19 G HN 0.398 nan 8.290 nan 0.000 0.558 20 S N 1.284 116.943 115.700 -0.069 0.000 2.661 20 S HA 0.553 5.024 4.470 0.001 0.000 0.245 20 S C 1.272 175.820 174.600 -0.086 0.000 1.117 20 S CA 0.264 58.412 58.200 -0.086 0.000 1.091 20 S CB 0.538 63.666 63.200 -0.121 0.000 0.887 20 S HN 1.356 nan 8.310 nan 0.000 0.491 21 G N 1.969 110.724 108.800 -0.074 0.000 2.489 21 G HA2 0.204 4.165 3.960 0.001 0.000 0.271 21 G HA3 0.204 4.165 3.960 0.001 0.000 0.271 21 G C 0.991 175.750 174.900 -0.235 0.000 1.427 21 G CA -0.316 44.726 45.100 -0.096 0.000 1.057 21 G HN 0.391 nan 8.290 nan 0.000 0.532 22 E N -0.433 119.514 120.200 -0.422 0.000 2.153 22 E HA -0.146 4.205 4.350 0.001 0.000 0.194 22 E C 2.376 178.649 176.600 -0.546 0.000 0.988 22 E CA 0.921 56.873 56.400 -0.747 0.000 0.811 22 E CB -0.389 28.244 29.700 -1.779 0.000 0.746 22 E HN 0.492 nan 8.360 nan 0.000 0.466 23 L N 0.802 121.830 121.223 -0.325 0.000 2.005 23 L HA -0.023 4.318 4.340 0.001 0.000 0.207 23 L C 2.837 179.575 176.870 -0.221 0.000 1.072 23 L CA 1.457 56.204 54.840 -0.154 0.000 0.744 23 L CB -1.030 41.082 42.059 0.087 0.000 0.895 23 L HN 0.244 nan 8.230 nan 0.000 0.433 24 G N -0.052 108.665 108.800 -0.139 0.000 2.448 24 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 24 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 24 G C 1.693 176.501 174.900 -0.153 0.000 1.127 24 G CA 0.645 45.692 45.100 -0.089 0.000 0.766 24 G HN 0.286 nan 8.290 nan 0.000 0.552 25 K N 0.258 120.516 120.400 -0.236 0.000 2.063 25 K HA -0.116 4.205 4.320 0.001 0.000 0.208 25 K C 2.275 178.716 176.600 -0.265 0.000 1.048 25 K CA 1.372 57.526 56.287 -0.223 0.000 0.928 25 K CB -0.054 32.297 32.500 -0.248 0.000 0.713 25 K HN 0.183 nan 8.250 nan 0.000 0.442 26 E N 0.241 120.145 120.200 -0.494 0.000 2.152 26 E HA -0.105 4.246 4.350 0.001 0.000 0.192 26 E C 2.070 178.524 176.600 -0.243 0.000 0.983 26 E CA 0.696 56.762 56.400 -0.557 0.000 0.818 26 E CB 0.056 28.983 29.700 -1.289 0.000 0.758 26 E HN 0.143 nan 8.360 nan 0.000 0.467 27 V N 1.663 121.502 119.914 -0.124 0.000 2.343 27 V HA -0.253 3.868 4.120 0.001 0.000 0.247 27 V C 2.460 178.599 176.094 0.074 0.000 1.051 27 V CA 1.777 64.154 62.300 0.129 0.000 1.036 27 V CB -0.776 31.188 31.823 0.234 0.000 0.654 27 V HN 0.230 nan 8.190 nan 0.000 0.451 28 A N -0.112 122.713 122.820 0.008 0.000 1.877 28 A HA -0.196 4.125 4.320 0.001 0.000 0.216 28 A C 2.187 179.765 177.584 -0.010 0.000 1.186 28 A CA 2.005 54.047 52.037 0.007 0.000 0.620 28 A CB -0.549 18.434 19.000 -0.028 0.000 0.822 28 A HN 0.495 nan 8.150 nan 0.000 0.443 29 I N -0.328 120.218 120.570 -0.041 0.000 2.226 29 I HA -0.219 3.952 4.170 0.001 0.000 0.245 29 I C 2.411 178.524 176.117 -0.008 0.000 1.100 29 I CA 1.296 62.575 61.300 -0.035 0.000 1.374 29 I CB -0.275 37.692 38.000 -0.055 0.000 1.057 29 I HN 0.308 nan 8.210 nan 0.000 0.413 30 E N 0.053 120.258 120.200 0.009 0.000 2.150 30 E HA -0.193 4.158 4.350 0.001 0.000 0.193 30 E C 2.370 178.970 176.600 -0.001 0.000 0.985 30 E CA 1.140 57.549 56.400 0.015 0.000 0.814 30 E CB -0.463 29.262 29.700 0.043 0.000 0.752 30 E HN 0.540 nan 8.360 nan 0.000 0.466 31 C N 1.123 120.438 119.300 0.025 0.000 2.453 31 C HA -0.083 4.377 4.460 0.001 0.000 0.277 31 C C 2.652 177.674 174.990 0.052 0.000 1.262 31 C CA 0.432 59.475 59.018 0.042 0.000 1.718 31 C CB -0.646 27.160 27.740 0.111 0.000 2.031 31 C HN 0.449 nan 8.230 nan 0.000 0.480 32 Q N 0.419 120.247 119.800 0.047 0.000 2.181 32 Q HA -0.164 4.177 4.340 0.001 0.000 0.205 32 Q C 2.224 178.244 176.000 0.033 0.000 0.980 32 Q CA 1.322 57.152 55.803 0.045 0.000 0.862 32 Q CB -0.426 28.298 28.738 -0.023 0.000 0.905 32 Q HN 0.675 nan 8.270 nan 0.000 0.429 33 R N 0.089 120.597 120.500 0.014 0.000 2.193 33 R HA -0.028 4.313 4.340 0.001 0.000 0.229 33 R C 1.687 177.990 176.300 0.004 0.000 1.110 33 R CA 0.652 56.755 56.100 0.006 0.000 0.988 33 R CB 0.008 30.308 30.300 -0.001 0.000 0.871 33 R HN 0.189 nan 8.270 nan 0.000 0.458 34 L N -0.762 120.463 121.223 0.004 0.000 2.700 34 L HA 0.285 4.625 4.340 0.001 0.000 0.234 34 L C 0.867 177.748 176.870 0.019 0.000 1.156 34 L CA 0.004 54.842 54.840 -0.004 0.000 0.946 34 L CB 0.735 42.773 42.059 -0.035 0.000 1.216 34 L HN 0.316 nan 8.230 nan 0.000 0.493 35 G N 0.671 109.499 108.800 0.047 0.000 2.179 35 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 35 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 35 G C 0.187 175.136 174.900 0.081 0.000 1.010 35 G CA 0.123 45.265 45.100 0.069 0.000 0.736 35 G HN 0.138 nan 8.290 nan 0.000 0.513 36 V N 0.484 120.458 119.914 0.100 0.000 2.530 36 V HA 0.329 4.450 4.120 0.001 0.000 0.282 36 V C 0.901 177.110 176.094 0.191 0.000 1.048 36 V CA -0.221 62.150 62.300 0.118 0.000 0.997 36 V CB 1.683 33.569 31.823 0.105 0.000 0.987 36 V HN 0.476 nan 8.190 nan 0.000 0.477 37 E N 3.809 124.077 120.200 0.113 0.000 2.290 37 E HA 0.375 4.725 4.350 0.001 0.000 0.277 37 E C -1.221 175.518 176.600 0.232 0.000 1.035 37 E CA -0.331 56.086 56.400 0.028 0.000 0.873 37 E CB 1.196 30.823 29.700 -0.122 0.000 1.029 37 E HN 0.494 nan 8.360 nan 0.000 0.419 38 V N 6.402 126.593 119.914 0.463 0.000 2.409 38 V HA 0.343 4.464 4.120 0.001 0.000 0.291 38 V C -0.468 175.748 176.094 0.204 0.000 1.020 38 V CA -0.726 61.738 62.300 0.273 0.000 0.848 38 V CB 1.337 33.268 31.823 0.180 0.000 0.990 38 V HN 0.566 nan 8.190 nan 0.000 0.430 39 I N 4.367 125.015 120.570 0.130 0.000 2.355 39 I HA 0.680 4.851 4.170 0.001 0.000 0.288 39 I C 0.427 176.581 176.117 0.062 0.000 0.999 39 I CA -0.153 61.203 61.300 0.093 0.000 1.163 39 I CB 1.769 39.839 38.000 0.118 0.000 1.316 39 I HN 0.656 nan 8.210 nan 0.000 0.454 40 A N 6.588 129.421 122.820 0.022 0.000 2.260 40 A HA 0.834 5.155 4.320 0.001 0.000 0.314 40 A C -0.503 177.075 177.584 -0.009 0.000 1.257 40 A CA -0.489 51.547 52.037 -0.003 0.000 0.871 40 A CB 0.684 19.666 19.000 -0.030 0.000 1.166 40 A HN 0.454 nan 8.150 nan 0.000 0.522 41 V N 2.812 122.726 119.914 0.000 0.000 2.628 41 V HA 0.654 4.774 4.120 0.001 0.000 0.306 41 V C -0.356 175.711 176.094 -0.045 0.000 1.045 41 V CA -0.515 61.788 62.300 0.006 0.000 0.905 41 V CB 1.895 33.739 31.823 0.035 0.000 0.997 41 V HN 1.036 nan 8.190 nan 0.000 0.436 42 D N 1.240 121.597 120.400 -0.070 0.000 2.768 42 D HA 0.364 5.005 4.640 0.001 0.000 0.327 42 D C 0.032 176.294 176.300 -0.062 0.000 1.302 42 D CA -0.632 53.306 54.000 -0.104 0.000 0.897 42 D CB 2.209 42.853 40.800 -0.260 0.000 1.420 42 D HN 0.307 nan 8.370 nan 0.000 0.494 43 R N -0.201 120.292 120.500 -0.012 0.000 2.317 43 R HA 0.160 4.500 4.340 0.001 0.000 0.208 43 R C -0.542 175.849 176.300 0.151 0.000 0.914 43 R CA 0.575 56.719 56.100 0.074 0.000 1.060 43 R CB -0.501 29.860 30.300 0.102 0.000 1.015 43 R HN 0.405 nan 8.270 nan 0.000 0.498 44 Y N -3.833 116.480 120.300 0.022 0.000 2.571 44 Y HA 0.771 5.321 4.550 0.001 0.000 0.341 44 Y C -1.092 174.825 175.900 0.028 0.000 1.076 44 Y CA -1.874 56.240 58.100 0.024 0.000 1.029 44 Y CB 0.690 39.166 38.460 0.025 0.000 1.308 44 Y HN -0.081 nan 8.280 nan 0.000 0.461 45 A N 1.816 124.664 122.820 0.047 0.000 2.322 45 A HA 0.524 4.844 4.320 0.001 0.000 0.269 45 A C -0.072 177.532 177.584 0.034 0.000 1.094 45 A CA 0.292 52.315 52.037 -0.023 0.000 0.807 45 A CB -0.363 18.657 19.000 0.034 0.000 1.047 45 A HN 0.990 nan 8.150 nan 0.000 0.487 46 D N -1.496 118.883 120.400 -0.035 0.000 2.981 46 D HA -0.145 4.495 4.640 0.001 0.000 0.223 46 D C 0.344 176.779 176.300 0.226 0.000 1.151 46 D CA 1.446 55.475 54.000 0.049 0.000 0.827 46 D CB -1.899 38.949 40.800 0.080 0.000 1.101 46 D HN 1.076 nan 8.370 nan 0.000 0.426 47 A N -0.051 122.732 122.820 -0.060 0.000 2.445 47 A HA 0.434 4.754 4.320 0.001 0.000 0.242 47 A C -0.918 176.734 177.584 0.113 0.000 1.075 47 A CA -0.700 51.278 52.037 -0.098 0.000 0.777 47 A CB 0.414 19.079 19.000 -0.560 0.000 1.013 47 A HN -0.083 nan 8.150 nan 0.000 0.493 48 P HA -0.327 nan 4.420 nan 0.000 0.216 48 P C 1.668 178.938 177.300 -0.050 0.000 1.167 48 P CA 3.101 66.123 63.100 -0.131 0.000 0.933 48 P CB 0.042 31.654 31.700 -0.146 0.000 0.793 49 A N -1.590 121.195 122.820 -0.058 0.000 2.076 49 A HA -0.202 4.118 4.320 0.001 0.000 0.220 49 A C 2.110 179.695 177.584 0.001 0.000 1.160 49 A CA 1.896 53.904 52.037 -0.048 0.000 0.653 49 A CB -1.405 17.555 19.000 -0.068 0.000 0.801 49 A HN 0.184 nan 8.150 nan 0.000 0.455 50 M N -1.471 118.151 119.600 0.035 0.000 2.296 50 M HA -0.105 4.375 4.480 0.001 0.000 0.265 50 M C 1.835 178.155 176.300 0.032 0.000 1.064 50 M CA 1.079 56.384 55.300 0.009 0.000 1.109 50 M CB -0.622 31.953 32.600 -0.041 0.000 1.396 50 M HN 0.522 nan 8.290 nan 0.000 0.430 51 H N -0.348 118.686 119.070 -0.059 0.000 2.421 51 H HA -0.058 4.499 4.556 0.001 0.000 0.298 51 H C 1.788 177.078 175.328 -0.064 0.000 1.087 51 H CA 1.685 57.705 56.048 -0.046 0.000 1.330 51 H CB 0.203 29.951 29.762 -0.024 0.000 1.388 51 H HN 0.390 nan 8.280 nan 0.000 0.526 52 V N -1.957 117.988 119.914 0.053 0.000 3.319 52 V HA 0.566 4.687 4.120 0.001 0.000 0.317 52 V C 0.738 176.766 176.094 -0.110 0.000 1.411 52 V CA -0.129 62.150 62.300 -0.036 0.000 1.112 52 V CB -0.067 31.733 31.823 -0.038 0.000 1.031 52 V HN 0.229 nan 8.190 nan 0.000 0.448 53 A N -0.445 122.317 122.820 -0.096 0.000 2.294 53 A HA 0.712 5.032 4.320 0.001 0.000 0.330 53 A C 0.649 178.148 177.584 -0.141 0.000 1.133 53 A CA -0.272 51.694 52.037 -0.117 0.000 0.836 53 A CB 0.649 19.627 19.000 -0.037 0.000 1.190 53 A HN 0.485 nan 8.150 nan 0.000 0.492 54 H N 0.055 119.120 119.070 -0.007 0.000 2.357 54 H HA 0.072 4.629 4.556 0.001 0.000 0.301 54 H C 0.541 175.846 175.328 -0.038 0.000 1.082 54 H CA 1.616 57.657 56.048 -0.012 0.000 1.342 54 H CB 0.133 29.899 29.762 0.006 0.000 1.389 54 H HN 0.525 nan 8.280 nan 0.000 0.511 55 R N -0.547 119.993 120.500 0.067 0.000 2.707 55 R HA 0.512 4.853 4.340 0.001 0.000 0.272 55 R C -1.179 175.036 176.300 -0.142 0.000 1.011 55 R CA -0.588 55.475 56.100 -0.061 0.000 0.893 55 R CB 2.691 32.953 30.300 -0.064 0.000 1.233 55 R HN -0.022 nan 8.270 nan 0.000 0.464 56 S N 0.654 116.185 115.700 -0.281 0.000 2.568 56 S HA 0.603 5.073 4.470 0.001 0.000 0.293 56 S C -1.324 172.948 174.600 -0.547 0.000 1.089 56 S CA -0.847 57.181 58.200 -0.287 0.000 0.945 56 S CB 1.634 64.726 63.200 -0.180 0.000 1.077 56 S HN 0.434 nan 8.310 nan 0.000 0.485 57 H N 0.114 119.162 119.070 -0.036 0.000 2.894 57 H HA 0.491 5.048 4.556 0.001 0.000 0.367 57 H C -1.414 173.886 175.328 -0.047 0.000 1.144 57 H CA -0.478 55.550 56.048 -0.034 0.000 1.180 57 H CB 1.718 31.465 29.762 -0.026 0.000 1.758 57 H HN 0.311 nan 8.280 nan 0.000 0.541 58 V N 5.115 125.084 119.914 0.092 0.000 2.378 58 V HA 0.413 4.534 4.120 0.001 0.000 0.288 58 V C 0.402 176.522 176.094 0.044 0.000 1.016 58 V CA -0.488 61.832 62.300 0.033 0.000 0.840 58 V CB 1.025 32.856 31.823 0.013 0.000 0.994 58 V HN 0.615 nan 8.190 nan 0.000 0.431 59 I N 1.159 121.746 120.570 0.028 0.000 3.279 59 I HA 0.629 4.799 4.170 0.001 0.000 0.315 59 I C -0.637 175.489 176.117 0.014 0.000 1.225 59 I CA -0.963 60.347 61.300 0.017 0.000 0.947 59 I CB 2.411 40.411 38.000 0.001 0.000 1.293 59 I HN 0.414 nan 8.210 nan 0.000 0.468 60 N N 2.849 121.553 118.700 0.008 0.000 2.439 60 N HA 0.307 5.048 4.740 0.001 0.000 0.243 60 N C 0.305 175.816 175.510 0.001 0.000 1.088 60 N CA -0.320 52.735 53.050 0.009 0.000 0.940 60 N CB 1.063 39.553 38.487 0.006 0.000 1.180 60 N HN 0.763 nan 8.380 nan 0.000 0.505 61 M N 2.999 122.601 119.600 0.004 0.000 2.549 61 M HA -0.054 4.427 4.480 0.001 0.000 0.260 61 M C 1.361 177.657 176.300 -0.006 0.000 1.076 61 M CA 0.904 56.202 55.300 -0.003 0.000 1.090 61 M CB 0.196 32.794 32.600 -0.003 0.000 1.418 61 M HN 0.448 nan 8.290 nan 0.000 0.486 62 L N -0.465 120.757 121.223 -0.003 0.000 2.509 62 L HA 0.049 4.390 4.340 0.001 0.000 0.222 62 L C 0.561 177.426 176.870 -0.008 0.000 1.123 62 L CA -0.015 54.822 54.840 -0.006 0.000 0.856 62 L CB -0.019 42.037 42.059 -0.004 0.000 0.985 62 L HN 0.110 nan 8.230 nan 0.000 0.456 63 D N 0.174 120.569 120.400 -0.008 0.000 2.365 63 D HA 0.109 4.750 4.640 0.001 0.000 0.237 63 D C 1.269 177.559 176.300 -0.016 0.000 1.190 63 D CA 0.026 54.019 54.000 -0.011 0.000 0.867 63 D CB 1.707 42.501 40.800 -0.010 0.000 1.050 63 D HN 0.091 nan 8.370 nan 0.000 0.491 64 G N 3.591 112.381 108.800 -0.016 0.000 2.450 64 G HA2 -0.278 3.682 3.960 0.001 0.000 0.220 64 G HA3 -0.278 3.682 3.960 0.001 0.000 0.220 64 G C 1.124 176.010 174.900 -0.024 0.000 1.130 64 G CA 0.486 45.575 45.100 -0.020 0.000 0.760 64 G HN 0.486 nan 8.290 nan 0.000 0.557 65 D N 1.032 121.419 120.400 -0.022 0.000 2.123 65 D HA 0.001 4.641 4.640 0.001 0.000 0.200 65 D C 2.832 179.113 176.300 -0.031 0.000 0.976 65 D CA 1.133 55.117 54.000 -0.025 0.000 0.831 65 D CB -0.514 40.273 40.800 -0.022 0.000 0.974 65 D HN 0.315 nan 8.370 nan 0.000 0.469 66 A N 1.057 123.860 122.820 -0.029 0.000 1.902 66 A HA -0.149 4.172 4.320 0.001 0.000 0.217 66 A C 2.157 179.714 177.584 -0.045 0.000 1.181 66 A CA 0.990 53.006 52.037 -0.035 0.000 0.623 66 A CB -0.704 18.281 19.000 -0.024 0.000 0.818 66 A HN 0.210 nan 8.150 nan 0.000 0.443 67 L N 0.240 121.440 121.223 -0.038 0.000 2.017 67 L HA -0.152 4.189 4.340 0.001 0.000 0.208 67 L C 2.514 179.353 176.870 -0.051 0.000 1.073 67 L CA 2.628 57.444 54.840 -0.041 0.000 0.745 67 L CB -0.779 41.261 42.059 -0.032 0.000 0.894 67 L HN 0.542 nan 8.230 nan 0.000 0.432 68 R N -0.624 119.849 120.500 -0.046 0.000 2.083 68 R HA -0.181 4.160 4.340 0.001 0.000 0.237 68 R C 2.393 178.657 176.300 -0.061 0.000 1.137 68 R CA 1.780 57.851 56.100 -0.049 0.000 0.951 68 R CB -0.359 29.917 30.300 -0.041 0.000 0.851 68 R HN 0.320 nan 8.270 nan 0.000 0.434 69 R N -0.041 120.421 120.500 -0.063 0.000 2.080 69 R HA -0.134 4.207 4.340 0.001 0.000 0.236 69 R C 2.397 178.631 176.300 -0.111 0.000 1.137 69 R CA 1.790 57.844 56.100 -0.077 0.000 0.943 69 R CB -0.799 29.457 30.300 -0.074 0.000 0.846 69 R HN 0.223 nan 8.270 nan 0.000 0.431 70 V N 0.769 120.605 119.914 -0.130 0.000 2.515 70 V HA -0.168 3.952 4.120 0.001 0.000 0.250 70 V C 2.131 178.138 176.094 -0.144 0.000 1.058 70 V CA 1.503 63.685 62.300 -0.196 0.000 1.064 70 V CB 0.036 31.738 31.823 -0.202 0.000 0.675 70 V HN 0.134 nan 8.190 nan 0.000 0.461 71 V N 0.092 119.948 119.914 -0.098 0.000 2.358 71 V HA -0.215 3.906 4.120 0.001 0.000 0.246 71 V C 2.433 178.475 176.094 -0.086 0.000 1.047 71 V CA 2.346 64.597 62.300 -0.082 0.000 1.035 71 V CB -0.643 31.138 31.823 -0.069 0.000 0.658 71 V HN 0.638 nan 8.190 nan 0.000 0.452 72 E N -0.208 119.943 120.200 -0.083 0.000 2.150 72 E HA -0.210 4.141 4.350 0.001 0.000 0.193 72 E C 2.116 178.669 176.600 -0.078 0.000 0.985 72 E CA 1.133 57.487 56.400 -0.075 0.000 0.814 72 E CB -0.164 29.498 29.700 -0.064 0.000 0.752 72 E HN 0.449 nan 8.360 nan 0.000 0.466 73 L N 1.386 122.553 121.223 -0.095 0.000 2.017 73 L HA -0.153 4.187 4.340 0.001 0.000 0.208 73 L C 1.877 178.704 176.870 -0.071 0.000 1.073 73 L CA 1.838 56.621 54.840 -0.094 0.000 0.745 73 L CB 0.010 41.975 42.059 -0.157 0.000 0.894 73 L HN -0.057 nan 8.230 nan 0.000 0.432 74 E N -0.189 119.967 120.200 -0.073 0.000 2.400 74 E HA -0.023 4.328 4.350 0.001 0.000 0.195 74 E C 0.120 176.679 176.600 -0.069 0.000 1.012 74 E CA 0.107 56.486 56.400 -0.036 0.000 0.875 74 E CB 0.219 29.925 29.700 0.011 0.000 0.859 74 E HN 0.416 nan 8.360 nan 0.000 0.498 75 K N 1.266 121.606 120.400 -0.099 0.000 3.451 75 K HA -0.142 4.178 4.320 0.001 0.000 0.273 75 K C -2.545 173.908 176.600 -0.245 0.000 0.944 75 K CA 0.194 56.388 56.287 -0.155 0.000 0.734 75 K CB -1.139 31.274 32.500 -0.146 0.000 1.437 75 K HN 0.209 nan 8.250 nan 0.000 0.454 76 P HA 0.004 nan 4.420 nan 0.000 0.274 76 P C 0.063 177.189 177.300 -0.290 0.000 1.231 76 P CA 0.082 63.077 63.100 -0.175 0.000 0.790 76 P CB 0.613 32.282 31.700 -0.052 0.000 0.951 77 H N 0.106 119.126 119.070 -0.083 0.000 2.415 77 H HA 0.082 4.638 4.556 0.001 0.000 0.297 77 H C 0.027 175.056 175.328 -0.497 0.000 1.048 77 H CA 1.400 57.283 56.048 -0.275 0.000 1.365 77 H CB -0.277 29.311 29.762 -0.290 0.000 1.421 77 H HN 0.413 nan 8.280 nan 0.000 0.533 78 Y N -0.151 120.190 120.300 0.068 0.000 2.409 78 Y HA 0.412 4.962 4.550 0.001 0.000 0.343 78 Y C -0.611 175.218 175.900 -0.119 0.000 0.973 78 Y CA -0.958 57.105 58.100 -0.061 0.000 1.064 78 Y CB 1.779 40.145 38.460 -0.156 0.000 1.207 78 Y HN -0.110 nan 8.280 nan 0.000 0.452 79 I N 4.074 124.640 120.570 -0.007 0.000 2.355 79 I HA 0.365 4.536 4.170 0.001 0.000 0.288 79 I C -0.946 175.106 176.117 -0.108 0.000 0.999 79 I CA -0.870 60.402 61.300 -0.048 0.000 1.163 79 I CB 1.237 39.210 38.000 -0.046 0.000 1.316 79 I HN 0.295 nan 8.210 nan 0.000 0.454 80 V N 8.548 128.385 119.914 -0.128 0.000 2.266 80 V HA 0.280 4.401 4.120 0.001 0.000 0.271 80 V C -2.315 173.746 176.094 -0.056 0.000 1.032 80 V CA -1.761 60.443 62.300 -0.161 0.000 0.806 80 V CB 0.898 32.571 31.823 -0.250 0.000 1.052 80 V HN 0.537 nan 8.190 nan 0.000 0.449 81 P HA 0.201 nan 4.420 nan 0.000 0.276 81 P C 0.433 177.721 177.300 -0.019 0.000 1.235 81 P CA 0.109 63.193 63.100 -0.027 0.000 0.772 81 P CB 1.244 32.928 31.700 -0.027 0.000 0.871 82 E N 2.892 123.081 120.200 -0.020 0.000 2.490 82 E HA 0.098 4.448 4.350 0.001 0.000 0.209 82 E C 0.513 177.094 176.600 -0.033 0.000 0.971 82 E CA 0.172 56.558 56.400 -0.024 0.000 0.988 82 E CB 0.442 30.131 29.700 -0.017 0.000 1.029 82 E HN 0.508 nan 8.360 nan 0.000 0.496 83 I N -3.128 117.427 120.570 -0.025 0.000 3.145 83 I HA 0.410 4.580 4.170 0.001 0.000 0.313 83 I C 0.691 176.798 176.117 -0.017 0.000 1.122 83 I CA -0.812 60.476 61.300 -0.021 0.000 0.987 83 I CB 1.958 39.953 38.000 -0.009 0.000 1.236 83 I HN -0.316 nan 8.210 nan 0.000 0.453 84 E N 1.790 121.982 120.200 -0.014 0.000 2.122 84 E HA 0.137 4.487 4.350 0.001 0.000 0.190 84 E C 1.091 177.687 176.600 -0.006 0.000 0.977 84 E CA 0.735 57.130 56.400 -0.008 0.000 0.820 84 E CB 0.185 29.882 29.700 -0.005 0.000 0.770 84 E HN 0.743 nan 8.360 nan 0.000 0.462 85 A N 1.791 124.608 122.820 -0.005 0.000 3.048 85 A HA 0.182 4.503 4.320 0.001 0.000 0.264 85 A C -0.336 177.246 177.584 -0.003 0.000 1.796 85 A CA 0.234 52.269 52.037 -0.004 0.000 1.445 85 A CB -0.540 18.459 19.000 -0.001 0.000 1.074 85 A HN 0.070 nan 8.150 nan 0.000 0.621 86 I N -0.208 120.358 120.570 -0.007 0.000 2.934 86 I HA 0.413 4.584 4.170 0.001 0.000 0.306 86 I C 0.632 176.743 176.117 -0.010 0.000 1.110 86 I CA -1.010 60.285 61.300 -0.009 0.000 1.019 86 I CB 1.651 39.644 38.000 -0.012 0.000 1.227 86 I HN 0.328 nan 8.210 nan 0.000 0.434 87 A N 2.528 125.341 122.820 -0.012 0.000 2.981 87 A HA 0.270 4.590 4.320 0.001 0.000 0.280 87 A C 1.447 179.022 177.584 -0.015 0.000 1.743 87 A CA 0.236 52.265 52.037 -0.013 0.000 1.430 87 A CB -1.006 17.985 19.000 -0.015 0.000 1.085 87 A HN 0.894 nan 8.150 nan 0.000 0.597 88 T N -1.213 113.333 114.554 -0.013 0.000 2.803 88 T HA -0.193 4.157 4.350 0.001 0.000 0.269 88 T C 1.100 175.792 174.700 -0.013 0.000 1.052 88 T CA 1.825 63.917 62.100 -0.012 0.000 1.136 88 T CB -0.297 68.567 68.868 -0.008 0.000 0.864 88 T HN 0.468 nan 8.240 nan 0.000 0.467 89 D N 0.700 121.092 120.400 -0.014 0.000 2.144 89 D HA -0.007 4.634 4.640 0.001 0.000 0.200 89 D C 1.898 178.188 176.300 -0.017 0.000 0.978 89 D CA 1.052 55.044 54.000 -0.015 0.000 0.833 89 D CB -0.380 40.411 40.800 -0.014 0.000 0.961 89 D HN 0.392 nan 8.370 nan 0.000 0.470 90 M N 0.170 119.758 119.600 -0.019 0.000 2.229 90 M HA -0.028 4.453 4.480 0.001 0.000 0.264 90 M C 1.729 178.015 176.300 -0.025 0.000 1.063 90 M CA 1.121 56.407 55.300 -0.022 0.000 1.114 90 M CB -0.282 32.303 32.600 -0.024 0.000 1.387 90 M HN -0.061 nan 8.290 nan 0.000 0.420 91 L N -0.852 120.357 121.223 -0.023 0.000 2.131 91 L HA -0.187 4.153 4.340 0.001 0.000 0.210 91 L C 2.326 179.182 176.870 -0.024 0.000 1.092 91 L CA 1.090 55.915 54.840 -0.025 0.000 0.759 91 L CB -0.716 41.330 42.059 -0.022 0.000 0.903 91 L HN 0.319 nan 8.230 nan 0.000 0.435 92 I N -0.557 120.001 120.570 -0.020 0.000 2.252 92 I HA -0.283 3.887 4.170 0.001 0.000 0.245 92 I C 2.696 178.800 176.117 -0.022 0.000 1.102 92 I CA 0.921 62.210 61.300 -0.018 0.000 1.385 92 I CB -0.075 37.916 38.000 -0.015 0.000 1.064 92 I HN 0.271 nan 8.210 nan 0.000 0.414 93 Q N 1.321 121.108 119.800 -0.022 0.000 2.002 93 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 93 Q C 2.123 178.106 176.000 -0.029 0.000 0.988 93 Q CA 2.026 57.815 55.803 -0.024 0.000 0.843 93 Q CB -0.585 28.139 28.738 -0.024 0.000 0.908 93 Q HN 0.462 nan 8.270 nan 0.000 0.420 94 L N 0.406 121.610 121.223 -0.032 0.000 2.081 94 L HA -0.208 4.132 4.340 0.001 0.000 0.212 94 L C 2.589 179.435 176.870 -0.041 0.000 1.080 94 L CA 1.921 56.737 54.840 -0.039 0.000 0.754 94 L CB -0.611 41.422 42.059 -0.043 0.000 0.893 94 L HN 0.432 nan 8.230 nan 0.000 0.433 95 E N 0.388 120.566 120.200 -0.036 0.000 2.106 95 E HA -0.231 4.120 4.350 0.001 0.000 0.192 95 E C 1.972 178.552 176.600 -0.035 0.000 0.984 95 E CA 1.142 57.520 56.400 -0.037 0.000 0.806 95 E CB 0.103 29.785 29.700 -0.030 0.000 0.750 95 E HN 0.538 nan 8.360 nan 0.000 0.458 96 E N 0.447 120.629 120.200 -0.030 0.000 2.106 96 E HA -0.170 4.181 4.350 0.001 0.000 0.192 96 E C 1.651 178.233 176.600 -0.030 0.000 0.984 96 E CA 1.043 57.427 56.400 -0.027 0.000 0.806 96 E CB -0.022 29.664 29.700 -0.023 0.000 0.750 96 E HN 0.373 nan 8.360 nan 0.000 0.458 97 E N -0.376 119.804 120.200 -0.033 0.000 2.515 97 E HA -0.042 4.309 4.350 0.001 0.000 0.201 97 E C 0.970 177.546 176.600 -0.040 0.000 1.071 97 E CA 0.355 56.734 56.400 -0.035 0.000 0.880 97 E CB 0.167 29.846 29.700 -0.036 0.000 0.828 97 E HN 0.423 nan 8.360 nan 0.000 0.540 98 G N 0.722 109.497 108.800 -0.042 0.000 2.184 98 G HA2 -0.244 3.717 3.960 0.001 0.000 0.206 98 G HA3 -0.244 3.717 3.960 0.001 0.000 0.206 98 G C 0.085 174.947 174.900 -0.063 0.000 0.995 98 G CA -0.431 44.641 45.100 -0.048 0.000 0.651 98 G HN 0.124 nan 8.290 nan 0.000 0.511 99 L N 1.182 122.364 121.223 -0.067 0.000 2.397 99 L HA 0.400 4.740 4.340 0.001 0.000 0.271 99 L C 0.839 177.659 176.870 -0.084 0.000 1.148 99 L CA -0.334 54.455 54.840 -0.086 0.000 0.825 99 L CB 1.041 43.052 42.059 -0.081 0.000 1.117 99 L HN 0.354 nan 8.230 nan 0.000 0.456 100 N N 1.659 120.288 118.700 -0.118 0.000 2.408 100 N HA 0.321 5.062 4.740 0.001 0.000 0.257 100 N C -1.282 174.203 175.510 -0.043 0.000 1.064 100 N CA -0.563 52.435 53.050 -0.087 0.000 0.952 100 N CB 0.801 39.203 38.487 -0.143 0.000 1.093 100 N HN 0.257 nan 8.380 nan 0.000 0.490 101 V N 4.226 124.124 119.914 -0.027 0.000 2.394 101 V HA 0.255 4.376 4.120 0.001 0.000 0.282 101 V C 0.035 176.112 176.094 -0.027 0.000 1.031 101 V CA -0.773 61.508 62.300 -0.031 0.000 0.881 101 V CB 1.442 33.247 31.823 -0.030 0.000 0.982 101 V HN 0.384 nan 8.190 nan 0.000 0.451 102 V N 8.389 128.257 119.914 -0.077 0.000 2.407 102 V HA 0.278 4.399 4.120 0.001 0.000 0.278 102 V C -1.104 174.959 176.094 -0.052 0.000 1.037 102 V CA -1.044 61.198 62.300 -0.097 0.000 0.900 102 V CB 1.721 33.344 31.823 -0.334 0.000 0.983 102 V HN 0.776 nan 8.190 nan 0.000 0.459 103 P HA 0.050 nan 4.420 nan 0.000 0.221 103 P C 0.250 177.576 177.300 0.043 0.000 1.155 103 P CA 0.668 63.781 63.100 0.021 0.000 0.812 103 P CB 0.345 32.066 31.700 0.034 0.000 0.801 104 C N -4.284 115.038 119.300 0.035 0.000 3.303 104 C HA 0.786 5.247 4.460 0.001 0.000 0.340 104 C C 1.677 176.677 174.990 0.017 0.000 1.274 104 C CA -0.229 58.802 59.018 0.022 0.000 1.234 104 C CB 0.779 28.534 27.740 0.025 0.000 1.532 104 C HN 0.155 nan 8.230 nan 0.000 0.483 105 A N 0.891 123.712 122.820 0.003 0.000 1.930 105 A HA -0.059 4.262 4.320 0.001 0.000 0.217 105 A C 2.321 179.911 177.584 0.009 0.000 1.175 105 A CA 1.873 53.910 52.037 -0.000 0.000 0.627 105 A CB -0.631 18.363 19.000 -0.011 0.000 0.815 105 A HN 1.030 nan 8.150 nan 0.000 0.443 106 R N -0.174 120.335 120.500 0.014 0.000 2.081 106 R HA -0.092 4.249 4.340 0.001 0.000 0.235 106 R C 2.213 178.535 176.300 0.037 0.000 1.131 106 R CA 1.527 57.638 56.100 0.018 0.000 0.960 106 R CB -0.451 29.858 30.300 0.015 0.000 0.856 106 R HN 0.397 nan 8.270 nan 0.000 0.436 107 A N 0.303 123.161 122.820 0.063 0.000 1.908 107 A HA -0.205 4.115 4.320 0.001 0.000 0.218 107 A C 2.285 179.913 177.584 0.074 0.000 1.181 107 A CA 2.191 54.290 52.037 0.104 0.000 0.627 107 A CB -1.181 17.926 19.000 0.179 0.000 0.818 107 A HN 0.686 nan 8.150 nan 0.000 0.445 108 T N -2.333 112.246 114.554 0.042 0.000 2.821 108 T HA -0.135 4.216 4.350 0.001 0.000 0.267 108 T C 1.919 176.630 174.700 0.020 0.000 1.046 108 T CA 1.643 63.757 62.100 0.023 0.000 1.139 108 T CB -0.252 68.618 68.868 0.004 0.000 0.871 108 T HN 0.451 nan 8.240 nan 0.000 0.454 109 K N 0.648 121.057 120.400 0.015 0.000 2.025 109 K HA 0.050 4.371 4.320 0.001 0.000 0.207 109 K C 2.453 179.059 176.600 0.011 0.000 1.049 109 K CA 1.179 57.470 56.287 0.007 0.000 0.933 109 K CB -0.394 32.107 32.500 0.002 0.000 0.714 109 K HN 0.413 nan 8.250 nan 0.000 0.438 110 L N 0.655 121.891 121.223 0.021 0.000 2.042 110 L HA -0.181 4.160 4.340 0.001 0.000 0.210 110 L C 2.481 179.374 176.870 0.038 0.000 1.076 110 L CA 1.961 56.815 54.840 0.024 0.000 0.749 110 L CB -0.663 41.414 42.059 0.030 0.000 0.893 110 L HN 0.400 nan 8.230 nan 0.000 0.432 111 T N -3.179 111.407 114.554 0.054 0.000 3.081 111 T HA -0.046 4.304 4.350 0.001 0.000 0.255 111 T C 1.507 176.233 174.700 0.043 0.000 1.113 111 T CA 0.597 62.737 62.100 0.065 0.000 1.082 111 T CB -0.154 68.769 68.868 0.091 0.000 0.939 111 T HN 0.335 nan 8.240 nan 0.000 0.506 112 M N 0.451 120.066 119.600 0.026 0.000 2.558 112 M HA 0.327 4.808 4.480 0.001 0.000 0.255 112 M C 0.429 176.737 176.300 0.013 0.000 1.113 112 M CA 0.484 55.793 55.300 0.015 0.000 1.097 112 M CB -0.256 32.347 32.600 0.005 0.000 1.426 112 M HN 0.064 nan 8.290 nan 0.000 0.488 113 N N 1.070 119.779 118.700 0.014 0.000 2.448 113 N HA 0.302 5.042 4.740 0.001 0.000 0.279 113 N C -0.011 175.514 175.510 0.026 0.000 1.025 113 N CA -0.211 52.845 53.050 0.009 0.000 0.898 113 N CB 1.088 39.564 38.487 -0.019 0.000 1.303 113 N HN 0.262 nan 8.380 nan 0.000 0.495 114 R N 1.749 122.290 120.500 0.067 0.000 2.133 114 R HA -0.214 4.127 4.340 0.001 0.000 0.247 114 R C 1.260 177.638 176.300 0.130 0.000 1.151 114 R CA 1.624 57.800 56.100 0.128 0.000 0.971 114 R CB 0.061 30.485 30.300 0.208 0.000 0.866 114 R HN 0.687 nan 8.270 nan 0.000 0.447 115 E N -0.038 120.148 120.200 -0.023 0.000 2.153 115 E HA -0.144 4.207 4.350 0.001 0.000 0.194 115 E C 2.038 178.531 176.600 -0.178 0.000 0.988 115 E CA 1.178 57.352 56.400 -0.378 0.000 0.811 115 E CB -0.104 29.107 29.700 -0.815 0.000 0.746 115 E HN 0.466 nan 8.360 nan 0.000 0.466 116 G N 1.220 109.966 108.800 -0.091 0.000 2.434 116 G HA2 -0.259 3.701 3.960 0.001 0.000 0.214 116 G HA3 -0.259 3.701 3.960 0.001 0.000 0.214 116 G C 1.510 176.405 174.900 -0.007 0.000 1.202 116 G CA 0.759 45.830 45.100 -0.048 0.000 0.788 116 G HN 0.327 nan 8.290 nan 0.000 0.539 117 I N 0.698 121.287 120.570 0.031 0.000 2.252 117 I HA -0.014 4.157 4.170 0.001 0.000 0.245 117 I C 2.587 178.749 176.117 0.075 0.000 1.102 117 I CA 1.315 62.656 61.300 0.067 0.000 1.385 117 I CB -0.309 37.768 38.000 0.128 0.000 1.064 117 I HN 0.122 nan 8.210 nan 0.000 0.414 118 R N 1.057 121.601 120.500 0.075 0.000 2.073 118 R HA -0.104 4.237 4.340 0.001 0.000 0.234 118 R C 2.393 178.660 176.300 -0.055 0.000 1.134 118 R CA 1.830 57.929 56.100 -0.002 0.000 0.952 118 R CB -0.538 29.698 30.300 -0.106 0.000 0.850 118 R HN 0.351 nan 8.270 nan 0.000 0.433 119 R N 0.014 120.519 120.500 0.007 0.000 2.096 119 R HA -0.110 4.231 4.340 0.001 0.000 0.235 119 R C 2.256 178.579 176.300 0.038 0.000 1.127 119 R CA 1.386 57.529 56.100 0.072 0.000 0.968 119 R CB -0.700 29.644 30.300 0.072 0.000 0.861 119 R HN 0.245 nan 8.270 nan 0.000 0.440 120 L N 0.925 122.147 121.223 -0.001 0.000 1.994 120 L HA -0.091 4.250 4.340 0.001 0.000 0.208 120 L C 2.336 179.166 176.870 -0.067 0.000 1.071 120 L CA 2.088 56.911 54.840 -0.029 0.000 0.745 120 L CB -0.676 41.359 42.059 -0.041 0.000 0.892 120 L HN 0.092 nan 8.230 nan 0.000 0.431 121 A N -0.353 122.396 122.820 -0.118 0.000 1.877 121 A HA -0.084 4.237 4.320 0.001 0.000 0.216 121 A C 2.419 179.945 177.584 -0.097 0.000 1.186 121 A CA 2.127 54.022 52.037 -0.237 0.000 0.620 121 A CB -1.290 17.424 19.000 -0.477 0.000 0.822 121 A HN 0.630 nan 8.150 nan 0.000 0.443 122 A N -0.522 122.308 122.820 0.016 0.000 1.898 122 A HA -0.029 4.292 4.320 0.001 0.000 0.214 122 A C 1.932 179.585 177.584 0.115 0.000 1.183 122 A CA 1.512 53.620 52.037 0.118 0.000 0.622 122 A CB -0.337 18.831 19.000 0.281 0.000 0.824 122 A HN 0.615 nan 8.150 nan 0.000 0.444 123 E N -0.435 119.833 120.200 0.113 0.000 2.099 123 E HA -0.046 4.304 4.350 0.001 0.000 0.191 123 E C 1.940 178.563 176.600 0.039 0.000 0.962 123 E CA 0.947 57.402 56.400 0.091 0.000 0.826 123 E CB -0.095 29.676 29.700 0.119 0.000 0.788 123 E HN 0.688 nan 8.360 nan 0.000 0.461 124 E N 0.834 121.043 120.200 0.015 0.000 2.086 124 E HA -0.000 4.350 4.350 0.001 0.000 0.190 124 E C 1.979 178.563 176.600 -0.026 0.000 0.975 124 E CA 0.589 56.985 56.400 -0.006 0.000 0.813 124 E CB 0.173 29.864 29.700 -0.015 0.000 0.768 124 E HN 0.162 nan 8.360 nan 0.000 0.457 125 L N 0.493 121.685 121.223 -0.051 0.000 2.509 125 L HA 0.051 4.392 4.340 0.001 0.000 0.222 125 L C 0.390 177.228 176.870 -0.053 0.000 1.123 125 L CA 0.125 54.921 54.840 -0.072 0.000 0.856 125 L CB -0.010 41.970 42.059 -0.133 0.000 0.985 125 L HN 0.097 nan 8.230 nan 0.000 0.456 126 Q N 0.532 120.317 119.800 -0.025 0.000 2.487 126 Q HA -0.184 4.157 4.340 0.001 0.000 0.279 126 Q C -0.306 175.689 176.000 -0.009 0.000 1.228 126 Q CA 0.630 56.431 55.803 -0.002 0.000 0.873 126 Q CB -1.957 26.781 28.738 -0.001 0.000 1.260 126 Q HN 0.488 nan 8.270 nan 0.000 0.471 127 L N 1.279 122.483 121.223 -0.032 0.000 2.399 127 L HA 0.412 4.753 4.340 0.001 0.000 0.266 127 L C -1.655 175.245 176.870 0.050 0.000 1.114 127 L CA -1.923 52.898 54.840 -0.031 0.000 0.804 127 L CB 0.225 42.195 42.059 -0.148 0.000 1.146 127 L HN -0.124 nan 8.230 nan 0.000 0.451 128 P HA 0.187 nan 4.420 nan 0.000 0.281 128 P C -0.692 176.713 177.300 0.176 0.000 1.252 128 P CA -0.215 62.953 63.100 0.113 0.000 0.778 128 P CB 1.139 32.893 31.700 0.091 0.000 0.895 129 T N -1.297 113.377 114.554 0.201 0.000 2.838 129 T HA 0.552 4.903 4.350 0.001 0.000 0.292 129 T C 0.130 174.970 174.700 0.233 0.000 1.113 129 T CA -0.718 61.522 62.100 0.234 0.000 1.008 129 T CB 0.691 69.717 68.868 0.263 0.000 1.259 129 T HN 0.350 nan 8.240 nan 0.000 0.520 130 S N 0.959 116.809 115.700 0.250 0.000 2.587 130 S HA 0.400 4.870 4.470 0.001 0.000 0.260 130 S C 0.712 175.455 174.600 0.238 0.000 1.353 130 S CA -0.070 58.265 58.200 0.225 0.000 0.995 130 S CB -0.485 62.852 63.200 0.229 0.000 0.912 130 S HN 1.339 nan 8.310 nan 0.000 0.568 131 T N -0.381 114.256 114.554 0.138 0.000 2.860 131 T HA 0.498 4.848 4.350 0.001 0.000 0.299 131 T C -0.423 174.345 174.700 0.113 0.000 1.045 131 T CA -0.364 61.771 62.100 0.058 0.000 1.071 131 T CB -0.193 68.657 68.868 -0.030 0.000 0.985 131 T HN 1.154 nan 8.240 nan 0.000 0.537 132 Y N -1.947 118.312 120.300 -0.068 0.000 2.677 132 Y HA 0.782 5.333 4.550 0.001 0.000 0.334 132 Y C -0.930 174.855 175.900 -0.192 0.000 1.196 132 Y CA -1.649 56.352 58.100 -0.165 0.000 1.059 132 Y CB 1.453 39.772 38.460 -0.235 0.000 1.315 132 Y HN 0.802 nan 8.280 nan 0.000 0.455 133 R N 1.232 121.626 120.500 -0.177 0.000 2.643 133 R HA 0.589 4.930 4.340 0.001 0.000 0.269 133 R C -2.153 174.007 176.300 -0.234 0.000 1.037 133 R CA -0.870 55.142 56.100 -0.145 0.000 0.894 133 R CB 2.415 32.670 30.300 -0.075 0.000 1.238 133 R HN 0.649 nan 8.270 nan 0.000 0.459 134 F N 0.487 120.546 119.950 0.181 0.000 2.523 134 F HA 0.791 5.319 4.527 0.001 0.000 0.329 134 F C 0.164 176.067 175.800 0.171 0.000 1.061 134 F CA -0.612 57.495 58.000 0.180 0.000 0.967 134 F CB 2.231 41.326 39.000 0.159 0.000 1.218 134 F HN 0.536 nan 8.300 nan 0.000 0.480 135 A N 0.892 123.948 122.820 0.393 0.000 2.488 135 A HA 0.552 4.872 4.320 0.001 0.000 0.298 135 A C -1.171 176.631 177.584 0.363 0.000 1.044 135 A CA -0.686 51.554 52.037 0.337 0.000 0.693 135 A CB 1.080 20.307 19.000 0.379 0.000 1.272 135 A HN 0.739 nan 8.150 nan 0.000 0.402 136 D N 0.051 120.623 120.400 0.287 0.000 2.501 136 D HA 0.262 4.903 4.640 0.001 0.000 0.224 136 D C 0.148 176.644 176.300 0.326 0.000 1.202 136 D CA 0.548 54.733 54.000 0.308 0.000 0.829 136 D CB 0.106 41.024 40.800 0.197 0.000 1.023 136 D HN 0.620 nan 8.370 nan 0.000 0.499 137 S N -1.648 114.159 115.700 0.179 0.000 2.556 137 S HA 0.337 4.808 4.470 0.001 0.000 0.271 137 S C 0.668 174.884 174.600 -0.640 0.000 1.135 137 S CA -0.803 57.347 58.200 -0.083 0.000 0.858 137 S CB 2.417 65.592 63.200 -0.042 0.000 1.114 137 S HN -0.064 nan 8.310 nan 0.000 0.468 138 E N 1.459 121.001 120.200 -1.095 0.000 2.118 138 E HA -0.185 4.166 4.350 0.001 0.000 0.195 138 E C 1.846 178.187 176.600 -0.432 0.000 0.992 138 E CA 1.947 57.586 56.400 -1.269 0.000 0.804 138 E CB -0.240 28.783 29.700 -1.128 0.000 0.741 138 E HN 0.784 nan 8.360 nan 0.000 0.458 139 S N 0.245 115.774 115.700 -0.286 0.000 2.383 139 S HA -0.164 4.306 4.470 0.001 0.000 0.227 139 S C 2.027 176.558 174.600 -0.115 0.000 1.026 139 S CA 0.910 59.015 58.200 -0.158 0.000 0.981 139 S CB -0.374 62.763 63.200 -0.106 0.000 0.818 139 S HN 0.303 nan 8.310 nan 0.000 0.472 140 L N 0.769 121.942 121.223 -0.083 0.000 2.093 140 L HA 0.154 4.495 4.340 0.001 0.000 0.208 140 L C 2.144 179.032 176.870 0.031 0.000 1.085 140 L CA 1.477 56.310 54.840 -0.010 0.000 0.755 140 L CB -1.026 41.057 42.059 0.041 0.000 0.904 140 L HN 0.405 nan 8.230 nan 0.000 0.435 141 F N 0.487 120.363 119.950 -0.123 0.000 2.095 141 F HA -0.221 4.307 4.527 0.001 0.000 0.298 141 F C 2.494 178.263 175.800 -0.050 0.000 1.104 141 F CA 1.708 59.685 58.000 -0.037 0.000 1.232 141 F CB -0.477 38.501 39.000 -0.037 0.000 0.987 141 F HN -0.010 nan 8.300 nan 0.000 0.475 142 R N 0.450 120.703 120.500 -0.412 0.000 2.105 142 R HA -0.162 4.179 4.340 0.001 0.000 0.239 142 R C 2.132 178.254 176.300 -0.295 0.000 1.135 142 R CA 1.875 57.702 56.100 -0.455 0.000 0.967 142 R CB -0.602 29.541 30.300 -0.263 0.000 0.861 142 R HN 0.497 nan 8.270 nan 0.000 0.442 143 E N 0.606 120.697 120.200 -0.181 0.000 2.110 143 E HA -0.160 4.190 4.350 0.001 0.000 0.193 143 E C 2.095 178.612 176.600 -0.139 0.000 0.988 143 E CA 1.025 57.348 56.400 -0.129 0.000 0.804 143 E CB -0.135 29.520 29.700 -0.074 0.000 0.745 143 E HN 0.349 nan 8.360 nan 0.000 0.458 144 A N 1.333 124.074 122.820 -0.132 0.000 1.865 144 A HA -0.183 4.138 4.320 0.001 0.000 0.217 144 A C 2.582 180.050 177.584 -0.193 0.000 1.191 144 A CA 1.519 53.491 52.037 -0.110 0.000 0.623 144 A CB -0.926 18.067 19.000 -0.011 0.000 0.826 144 A HN 0.125 nan 8.150 nan 0.000 0.444 145 V N -0.053 119.673 119.914 -0.313 0.000 2.287 145 V HA -0.295 3.825 4.120 0.001 0.000 0.248 145 V C 3.079 178.933 176.094 -0.399 0.000 1.053 145 V CA 2.109 64.161 62.300 -0.412 0.000 1.027 145 V CB -1.364 30.129 31.823 -0.550 0.000 0.646 145 V HN 0.651 nan 8.190 nan 0.000 0.447 146 A N -0.321 122.324 122.820 -0.291 0.000 1.917 146 A HA -0.321 4.000 4.320 0.001 0.000 0.219 146 A C 2.079 179.561 177.584 -0.170 0.000 1.182 146 A CA 2.379 54.296 52.037 -0.200 0.000 0.633 146 A CB -0.650 18.273 19.000 -0.127 0.000 0.819 146 A HN 0.564 nan 8.150 nan 0.000 0.448 147 D N -0.723 119.583 120.400 -0.157 0.000 2.162 147 D HA -0.054 4.587 4.640 0.001 0.000 0.203 147 D C 1.833 178.050 176.300 -0.139 0.000 0.967 147 D CA 0.689 54.614 54.000 -0.124 0.000 0.840 147 D CB -0.074 40.664 40.800 -0.104 0.000 0.972 147 D HN 0.296 nan 8.370 nan 0.000 0.482 148 I N 0.119 120.583 120.570 -0.176 0.000 2.233 148 I HA 0.100 4.271 4.170 0.001 0.000 0.243 148 I C 1.589 177.590 176.117 -0.193 0.000 1.093 148 I CA 1.315 62.511 61.300 -0.173 0.000 1.380 148 I CB -1.319 36.575 38.000 -0.177 0.000 1.067 148 I HN 0.159 nan 8.210 nan 0.000 0.413 149 G N -0.348 108.274 108.800 -0.297 0.000 2.661 149 G HA2 -0.205 3.756 3.960 0.001 0.000 0.685 149 G HA3 -0.205 3.756 3.960 0.001 0.000 0.685 149 G C -1.076 173.570 174.900 -0.424 0.000 1.298 149 G CA -0.745 44.175 45.100 -0.300 0.000 0.855 149 G HN 0.150 nan 8.290 nan 0.000 0.560 150 Y N 0.872 121.136 120.300 -0.060 0.000 2.409 150 Y HA 0.655 5.206 4.550 0.001 0.000 0.339 150 Y C -1.008 174.861 175.900 -0.052 0.000 1.033 150 Y CA -1.243 56.819 58.100 -0.065 0.000 1.094 150 Y CB 1.703 40.140 38.460 -0.038 0.000 1.210 150 Y HN 0.646 nan 8.280 nan 0.000 0.456 151 P HA 0.500 nan 4.420 nan 0.000 0.278 151 P C -1.081 176.094 177.300 -0.207 0.000 1.266 151 P CA -0.476 62.623 63.100 -0.000 0.000 0.807 151 P CB 1.190 32.827 31.700 -0.104 0.000 1.094 152 C N -1.318 117.797 119.300 -0.308 0.000 3.241 152 C HA 0.786 5.247 4.460 0.001 0.000 0.312 152 C C -0.719 174.078 174.990 -0.322 0.000 1.350 152 C CA -0.954 57.892 59.018 -0.286 0.000 1.415 152 C CB 0.352 27.962 27.740 -0.216 0.000 1.770 152 C HN 0.494 nan 8.230 nan 0.000 0.466 153 I N 1.485 121.941 120.570 -0.190 0.000 2.433 153 I HA 0.589 4.760 4.170 0.001 0.000 0.292 153 I C -0.303 175.839 176.117 0.040 0.000 1.001 153 I CA -0.625 60.626 61.300 -0.082 0.000 1.119 153 I CB 1.813 39.803 38.000 -0.017 0.000 1.289 153 I HN 0.683 nan 8.210 nan 0.000 0.438 154 V N 7.335 127.312 119.914 0.106 0.000 2.435 154 V HA 0.557 4.678 4.120 0.001 0.000 0.290 154 V C -0.676 175.464 176.094 0.076 0.000 1.030 154 V CA -0.199 62.178 62.300 0.129 0.000 0.881 154 V CB 1.358 33.302 31.823 0.202 0.000 0.983 154 V HN 0.763 nan 8.190 nan 0.000 0.445 155 K N 7.085 127.514 120.400 0.048 0.000 2.469 155 K HA 0.617 4.938 4.320 0.001 0.000 0.254 155 K C -2.960 173.637 176.600 -0.006 0.000 0.939 155 K CA -1.973 54.326 56.287 0.019 0.000 0.812 155 K CB 2.020 34.548 32.500 0.047 0.000 1.301 155 K HN 0.318 nan 8.250 nan 0.000 0.433 156 P HA -0.071 nan 4.420 nan 0.000 0.269 156 P C 0.994 178.303 177.300 0.015 0.000 1.209 156 P CA -0.490 62.571 63.100 -0.065 0.000 0.776 156 P CB 0.572 32.201 31.700 -0.118 0.000 0.876 157 V N -0.724 119.223 119.914 0.055 0.000 2.970 157 V HA 0.007 4.127 4.120 0.001 0.000 0.260 157 V C 0.853 176.972 176.094 0.041 0.000 1.100 157 V CA 1.503 63.860 62.300 0.095 0.000 1.122 157 V CB -1.154 30.738 31.823 0.115 0.000 0.721 157 V HN 0.357 nan 8.190 nan 0.000 0.483 158 M N 2.321 121.924 119.600 0.005 0.000 2.066 158 M HA 0.567 5.048 4.480 0.001 0.000 0.264 158 M C -0.469 175.819 176.300 -0.021 0.000 0.886 158 M CA 0.125 55.421 55.300 -0.006 0.000 0.810 158 M CB 1.412 34.004 32.600 -0.012 0.000 1.451 158 M HN 0.508 nan 8.290 nan 0.000 0.373 159 S N -0.099 115.594 115.700 -0.012 0.000 2.625 159 S HA 0.840 5.311 4.470 0.001 0.000 0.271 159 S C -0.823 173.775 174.600 -0.005 0.000 1.161 159 S CA -0.785 57.403 58.200 -0.021 0.000 0.820 159 S CB 2.602 65.781 63.200 -0.036 0.000 1.137 159 S HN 0.356 nan 8.310 nan 0.000 0.470 160 S N -0.399 115.298 115.700 -0.006 0.000 2.570 160 S HA 0.747 5.218 4.470 0.001 0.000 0.270 160 S C -0.339 174.269 174.600 0.013 0.000 1.149 160 S CA -0.093 58.109 58.200 0.002 0.000 0.837 160 S CB 1.563 64.758 63.200 -0.008 0.000 1.124 160 S HN 1.567 nan 8.310 nan 0.000 0.465 161 S N 0.791 116.504 115.700 0.022 0.000 3.587 161 S HA -0.180 4.291 4.470 0.001 0.000 0.337 161 S C 0.923 175.561 174.600 0.063 0.000 1.119 161 S CA 1.604 59.831 58.200 0.045 0.000 0.976 161 S CB -1.572 61.652 63.200 0.040 0.000 0.922 161 S HN 2.174 nan 8.310 nan 0.000 0.503 162 G N 0.042 108.882 108.800 0.065 0.000 2.153 162 G HA2 -0.324 3.636 3.960 0.001 0.000 0.252 162 G HA3 -0.324 3.636 3.960 0.001 0.000 0.252 162 G C -0.155 174.781 174.900 0.059 0.000 0.994 162 G CA 0.713 45.862 45.100 0.083 0.000 0.698 162 G HN 0.688 nan 8.290 nan 0.000 0.521 163 K N -0.081 120.325 120.400 0.011 0.000 2.350 163 K HA 0.444 4.764 4.320 0.001 0.000 0.279 163 K C 1.440 177.946 176.600 -0.157 0.000 1.027 163 K CA 0.444 56.701 56.287 -0.050 0.000 0.969 163 K CB 0.771 33.231 32.500 -0.066 0.000 0.954 163 K HN 1.253 nan 8.250 nan 0.000 0.474 164 G N 1.792 110.358 108.800 -0.390 0.000 2.160 164 G HA2 -0.324 3.637 3.960 0.001 0.000 0.251 164 G HA3 -0.324 3.637 3.960 0.001 0.000 0.251 164 G C -0.071 174.653 174.900 -0.293 0.000 1.008 164 G CA 0.157 44.821 45.100 -0.728 0.000 0.724 164 G HN 0.614 nan 8.290 nan 0.000 0.514 165 Q N -0.091 119.723 119.800 0.023 0.000 2.245 165 Q HA 0.676 5.016 4.340 0.001 0.000 0.256 165 Q C -0.574 175.609 176.000 0.305 0.000 0.942 165 Q CA -0.266 55.630 55.803 0.155 0.000 0.896 165 Q CB 1.254 30.073 28.738 0.135 0.000 1.272 165 Q HN 0.201 nan 8.270 nan 0.000 0.442 166 T N 2.800 117.504 114.554 0.251 0.000 2.916 166 T HA 0.316 4.666 4.350 0.001 0.000 0.298 166 T C -1.508 173.336 174.700 0.241 0.000 1.031 166 T CA -0.436 61.818 62.100 0.256 0.000 0.993 166 T CB 0.539 69.555 68.868 0.248 0.000 1.045 166 T HN 0.450 nan 8.240 nan 0.000 0.454 167 F N 4.328 124.354 119.950 0.126 0.000 2.375 167 F HA 0.542 5.069 4.527 0.001 0.000 0.362 167 F C -0.313 175.563 175.800 0.127 0.000 1.129 167 F CA -1.036 57.031 58.000 0.112 0.000 1.154 167 F CB 0.004 39.052 39.000 0.080 0.000 1.205 167 F HN 0.430 nan 8.300 nan 0.000 0.513 168 I N 7.852 128.412 120.570 -0.017 0.000 2.312 168 I HA 0.257 4.428 4.170 0.001 0.000 0.291 168 I C 0.685 176.920 176.117 0.197 0.000 1.031 168 I CA -0.095 61.296 61.300 0.151 0.000 1.293 168 I CB 1.152 39.278 38.000 0.210 0.000 1.403 168 I HN 0.656 nan 8.210 nan 0.000 0.484 169 R N 3.404 124.041 120.500 0.227 0.000 2.279 169 R HA 0.209 4.549 4.340 0.001 0.000 0.195 169 R C 0.134 176.353 176.300 -0.136 0.000 0.905 169 R CA 0.085 56.283 56.100 0.163 0.000 1.044 169 R CB 0.241 30.650 30.300 0.182 0.000 1.056 169 R HN 0.675 nan 8.270 nan 0.000 0.535 170 S N -1.046 114.504 115.700 -0.250 0.000 2.579 170 S HA 0.578 5.049 4.470 0.001 0.000 0.272 170 S C 0.477 174.858 174.600 -0.365 0.000 1.141 170 S CA -0.508 57.319 58.200 -0.622 0.000 0.843 170 S CB 1.902 64.921 63.200 -0.302 0.000 1.122 170 S HN 0.026 nan 8.310 nan 0.000 0.468 171 A N 0.770 123.341 122.820 -0.415 0.000 2.084 171 A HA -0.105 4.216 4.320 0.001 0.000 0.221 171 A C 1.775 179.370 177.584 0.018 0.000 1.161 171 A CA 1.821 53.846 52.037 -0.019 0.000 0.653 171 A CB -1.060 17.939 19.000 -0.002 0.000 0.802 171 A HN 0.918 nan 8.150 nan 0.000 0.457 172 E N -0.471 119.709 120.200 -0.033 0.000 2.171 172 E HA -0.261 4.090 4.350 0.001 0.000 0.197 172 E C 2.029 178.666 176.600 0.061 0.000 0.997 172 E CA 1.558 57.963 56.400 0.009 0.000 0.810 172 E CB -0.171 29.521 29.700 -0.013 0.000 0.738 172 E HN 0.813 nan 8.360 nan 0.000 0.467 173 Q N 0.099 119.953 119.800 0.091 0.000 2.389 173 Q HA 0.017 4.358 4.340 0.001 0.000 0.204 173 Q C 2.214 178.349 176.000 0.224 0.000 0.944 173 Q CA 0.104 55.993 55.803 0.143 0.000 0.908 173 Q CB 0.125 28.959 28.738 0.159 0.000 1.002 173 Q HN 0.295 nan 8.270 nan 0.000 0.493 174 L N 0.510 121.881 121.223 0.246 0.000 2.030 174 L HA -0.332 4.009 4.340 0.001 0.000 0.222 174 L C 2.461 179.602 176.870 0.451 0.000 1.082 174 L CA 1.665 56.718 54.840 0.357 0.000 0.785 174 L CB -0.817 41.357 42.059 0.191 0.000 0.895 174 L HN 0.301 nan 8.230 nan 0.000 0.439 175 A N -1.025 121.970 122.820 0.291 0.000 1.897 175 A HA -0.183 4.138 4.320 0.001 0.000 0.215 175 A C 2.206 179.957 177.584 0.279 0.000 1.181 175 A CA 1.191 53.398 52.037 0.285 0.000 0.620 175 A CB -0.371 18.738 19.000 0.182 0.000 0.821 175 A HN 0.493 nan 8.150 nan 0.000 0.443 176 Q N -0.506 119.420 119.800 0.209 0.000 2.046 176 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 176 Q C 2.497 178.618 176.000 0.201 0.000 0.975 176 Q CA 1.346 57.247 55.803 0.162 0.000 0.836 176 Q CB -0.440 28.354 28.738 0.093 0.000 0.896 176 Q HN 0.649 nan 8.270 nan 0.000 0.428 177 A N 1.657 124.626 122.820 0.248 0.000 1.892 177 A HA -0.221 4.100 4.320 0.001 0.000 0.218 177 A C 1.778 179.430 177.584 0.114 0.000 1.188 177 A CA 1.482 53.669 52.037 0.250 0.000 0.631 177 A CB -1.294 17.920 19.000 0.357 0.000 0.822 177 A HN 0.732 nan 8.150 nan 0.000 0.447 178 W N 0.734 121.982 121.300 -0.088 0.000 2.355 178 W HA -0.161 4.500 4.660 0.001 0.000 0.309 178 W C 2.043 178.482 176.519 -0.134 0.000 1.206 178 W CA 2.043 59.173 57.345 -0.357 0.000 1.284 178 W CB -0.363 28.952 29.460 -0.243 0.000 1.145 178 W HN 0.388 nan 8.180 nan 0.000 0.502 179 K N -0.228 120.163 120.400 -0.014 0.000 2.009 179 K HA -0.308 4.013 4.320 0.001 0.000 0.210 179 K C 2.267 178.788 176.600 -0.131 0.000 1.049 179 K CA 2.099 58.342 56.287 -0.074 0.000 0.929 179 K CB -1.093 31.475 32.500 0.114 0.000 0.714 179 K HN 0.202 nan 8.250 nan 0.000 0.440 180 Y N 0.357 120.568 120.300 -0.150 0.000 2.165 180 Y HA -0.258 4.292 4.550 0.001 0.000 0.286 180 Y C 1.943 177.720 175.900 -0.205 0.000 1.155 180 Y CA 1.430 59.453 58.100 -0.127 0.000 1.164 180 Y CB -0.058 38.371 38.460 -0.051 0.000 0.978 180 Y HN 0.193 nan 8.280 nan 0.000 0.513 181 A N -0.296 122.330 122.820 -0.322 0.000 2.067 181 A HA -0.154 4.167 4.320 0.001 0.000 0.219 181 A C 1.970 179.226 177.584 -0.546 0.000 1.158 181 A CA 1.280 53.042 52.037 -0.459 0.000 0.661 181 A CB -0.351 18.376 19.000 -0.456 0.000 0.801 181 A HN 0.522 nan 8.150 nan 0.000 0.452 182 Q N -0.254 119.172 119.800 -0.623 0.000 2.096 182 Q HA -0.136 4.205 4.340 0.001 0.000 0.197 182 Q C 2.052 177.859 176.000 -0.321 0.000 0.964 182 Q CA 1.512 56.995 55.803 -0.532 0.000 0.838 182 Q CB -0.448 27.938 28.738 -0.588 0.000 0.906 182 Q HN 0.844 nan 8.270 nan 0.000 0.444 183 Q N 0.224 119.857 119.800 -0.278 0.000 2.135 183 Q HA -0.045 4.295 4.340 0.001 0.000 0.204 183 Q C 0.840 176.697 176.000 -0.239 0.000 0.981 183 Q CA 1.065 56.747 55.803 -0.202 0.000 0.856 183 Q CB -0.231 28.435 28.738 -0.119 0.000 0.902 183 Q HN 0.217 nan 8.270 nan 0.000 0.425 184 G N -0.250 108.338 108.800 -0.354 0.000 2.353 184 G HA2 0.510 4.471 3.960 0.001 0.000 0.284 184 G HA3 0.510 4.471 3.960 0.001 0.000 0.284 184 G C -0.210 174.553 174.900 -0.228 0.000 1.172 184 G CA 0.287 45.206 45.100 -0.302 0.000 0.854 184 G HN 0.323 nan 8.290 nan 0.000 0.485 185 G N 1.927 110.634 108.800 -0.156 0.000 2.357 185 G HA2 -0.064 3.897 3.960 0.001 0.000 0.643 185 G HA3 -0.064 3.897 3.960 0.001 0.000 0.643 185 G C 0.589 175.431 174.900 -0.095 0.000 1.358 185 G CA -0.800 44.225 45.100 -0.125 0.000 0.986 185 G HN 0.573 nan 8.290 nan 0.000 0.620 186 R N 0.482 120.940 120.500 -0.070 0.000 2.355 186 R HA 0.196 4.537 4.340 0.001 0.000 0.219 186 R C 1.946 178.214 176.300 -0.053 0.000 1.107 186 R CA 1.612 57.682 56.100 -0.050 0.000 1.021 186 R CB -1.566 28.713 30.300 -0.036 0.000 0.852 186 R HN 2.176 nan 8.270 nan 0.000 0.475 191 R N -0.817 119.706 120.500 0.038 0.000 2.582 191 R HA 0.648 4.989 4.340 0.001 0.000 0.271 191 R C 0.083 176.446 176.300 0.106 0.000 1.078 191 R CA -0.135 56.035 56.100 0.117 0.000 1.127 191 R CB 1.191 31.566 30.300 0.124 0.000 1.038 191 R HN 1.032 nan 8.270 nan 0.000 0.500 192 V N 1.543 121.579 119.914 0.203 0.000 3.102 192 V HA 0.635 4.756 4.120 0.001 0.000 0.312 192 V C -0.678 175.591 176.094 0.292 0.000 1.135 192 V CA -1.072 61.333 62.300 0.175 0.000 1.022 192 V CB 1.847 33.708 31.823 0.063 0.000 1.056 192 V HN 0.846 nan 8.190 nan 0.000 0.436 193 I N 1.740 122.408 120.570 0.164 0.000 2.493 193 I HA 0.738 4.909 4.170 0.001 0.000 0.298 193 I C -1.172 174.944 176.117 -0.001 0.000 0.998 193 I CA -0.940 60.322 61.300 -0.062 0.000 1.137 193 I CB 2.025 39.945 38.000 -0.133 0.000 1.310 193 I HN 0.623 nan 8.210 nan 0.000 0.445 194 V N 6.721 126.605 119.914 -0.050 0.000 2.376 194 V HA 0.423 4.544 4.120 0.001 0.000 0.287 194 V C -0.569 175.508 176.094 -0.029 0.000 1.015 194 V CA -0.563 61.753 62.300 0.026 0.000 0.834 194 V CB 1.384 33.248 31.823 0.068 0.000 1.001 194 V HN 0.701 nan 8.190 nan 0.000 0.428 195 E N 2.562 122.757 120.200 -0.008 0.000 2.195 195 E HA 0.613 4.963 4.350 0.001 0.000 0.271 195 E C 0.301 176.888 176.600 -0.022 0.000 0.923 195 E CA -0.683 55.726 56.400 0.016 0.000 0.790 195 E CB 2.336 32.071 29.700 0.059 0.000 1.155 195 E HN 0.793 nan 8.360 nan 0.000 0.402 196 G N 0.874 109.668 108.800 -0.010 0.000 2.483 196 G HA2 0.223 4.183 3.960 0.001 0.000 0.248 196 G HA3 0.223 4.183 3.960 0.001 0.000 0.248 196 G C -0.068 174.813 174.900 -0.032 0.000 1.248 196 G CA -0.483 44.590 45.100 -0.046 0.000 0.838 196 G HN 0.292 nan 8.290 nan 0.000 0.566 197 V N 2.280 122.144 119.914 -0.083 0.000 2.479 197 V HA 0.063 4.184 4.120 0.001 0.000 0.281 197 V C 0.531 176.596 176.094 -0.049 0.000 1.031 197 V CA -0.299 61.958 62.300 -0.072 0.000 1.038 197 V CB 1.069 32.836 31.823 -0.094 0.000 0.981 197 V HN 0.435 nan 8.190 nan 0.000 0.478 198 V N 6.335 126.203 119.914 -0.077 0.000 2.432 198 V HA 0.268 4.389 4.120 0.001 0.000 0.275 198 V C 0.565 176.531 176.094 -0.213 0.000 1.043 198 V CA -0.678 61.573 62.300 -0.081 0.000 0.925 198 V CB 1.398 33.202 31.823 -0.032 0.000 0.985 198 V HN 0.680 nan 8.190 nan 0.000 0.466 199 K N 6.155 126.457 120.400 -0.163 0.000 2.206 199 K HA 0.303 4.624 4.320 0.001 0.000 0.268 199 K C -0.558 175.918 176.600 -0.207 0.000 1.111 199 K CA -0.161 55.964 56.287 -0.269 0.000 0.955 199 K CB 0.232 32.644 32.500 -0.147 0.000 1.406 199 K HN 0.590 nan 8.250 nan 0.000 0.427 200 F N -0.102 119.751 119.950 -0.161 0.000 2.378 200 F HA 0.342 4.869 4.527 0.001 0.000 0.325 200 F C 1.064 176.814 175.800 -0.082 0.000 1.097 200 F CA -0.895 57.020 58.000 -0.143 0.000 1.079 200 F CB 0.578 39.463 39.000 -0.192 0.000 1.240 200 F HN 0.187 nan 8.300 nan 0.000 0.519 201 D N 0.841 121.331 120.400 0.150 0.000 2.117 201 D HA 0.005 4.646 4.640 0.001 0.000 0.198 201 D C -0.067 176.495 176.300 0.437 0.000 0.982 201 D CA 1.950 56.067 54.000 0.194 0.000 0.828 201 D CB -0.104 40.793 40.800 0.162 0.000 0.967 201 D HN 0.488 nan 8.370 nan 0.000 0.464 202 F N -1.089 119.110 119.950 0.415 0.000 2.741 202 F HA 0.431 4.959 4.527 0.001 0.000 0.311 202 F C -1.314 174.498 175.800 0.019 0.000 1.149 202 F CA -1.472 56.742 58.000 0.358 0.000 0.930 202 F CB 0.986 40.139 39.000 0.255 0.000 1.312 202 F HN -0.247 nan 8.300 nan 0.000 0.450 203 E N 2.180 122.312 120.200 -0.112 0.000 2.244 203 E HA 0.812 5.163 4.350 0.001 0.000 0.266 203 E C -1.105 175.330 176.600 -0.275 0.000 0.914 203 E CA -1.003 55.123 56.400 -0.456 0.000 0.794 203 E CB 3.149 32.381 29.700 -0.781 0.000 1.210 203 E HN 0.889 nan 8.360 nan 0.000 0.414 204 I N -2.057 118.416 120.570 -0.162 0.000 3.145 204 I HA 0.604 4.775 4.170 0.001 0.000 0.313 204 I C -0.963 175.188 176.117 0.057 0.000 1.122 204 I CA -0.972 60.322 61.300 -0.009 0.000 0.987 204 I CB 2.705 40.734 38.000 0.048 0.000 1.236 204 I HN 0.371 nan 8.210 nan 0.000 0.453 205 T N 4.148 118.684 114.554 -0.031 0.000 2.815 205 T HA 0.462 4.812 4.350 0.001 0.000 0.289 205 T C -0.735 173.855 174.700 -0.183 0.000 1.000 205 T CA -0.196 61.746 62.100 -0.262 0.000 0.958 205 T CB 1.208 69.712 68.868 -0.606 0.000 0.944 205 T HN 0.454 nan 8.240 nan 0.000 0.442 206 L N 5.470 126.612 121.223 -0.135 0.000 2.288 206 L HA 0.460 4.800 4.340 0.001 0.000 0.283 206 L C -0.563 176.303 176.870 -0.006 0.000 1.072 206 L CA -0.512 54.302 54.840 -0.044 0.000 0.862 206 L CB -0.145 41.905 42.059 -0.015 0.000 1.245 206 L HN 0.605 nan 8.230 nan 0.000 0.432 207 L N 5.152 126.363 121.223 -0.019 0.000 2.485 207 L HA 0.262 4.602 4.340 0.001 0.000 0.279 207 L C 0.163 177.086 176.870 0.088 0.000 1.124 207 L CA 0.182 55.018 54.840 -0.006 0.000 0.888 207 L CB -0.163 41.854 42.059 -0.071 0.000 1.217 207 L HN 0.554 nan 8.230 nan 0.000 0.464 208 T N 2.730 117.364 114.554 0.133 0.000 2.786 208 T HA 0.472 4.822 4.350 0.001 0.000 0.283 208 T C -0.059 174.731 174.700 0.149 0.000 0.992 208 T CA -0.500 61.674 62.100 0.123 0.000 0.954 208 T CB 1.857 70.819 68.868 0.155 0.000 0.934 208 T HN 0.149 nan 8.240 nan 0.000 0.440 209 V N 2.831 122.778 119.914 0.055 0.000 2.370 209 V HA 0.550 4.670 4.120 0.001 0.000 0.279 209 V C 0.357 176.514 176.094 0.104 0.000 1.029 209 V CA -0.731 61.643 62.300 0.123 0.000 0.870 209 V CB 1.566 33.418 31.823 0.049 0.000 0.984 209 V HN 0.893 nan 8.190 nan 0.000 0.451 210 S N 3.694 119.528 115.700 0.223 0.000 2.438 210 S HA 0.827 5.298 4.470 0.001 0.000 0.316 210 S C -0.060 174.613 174.600 0.121 0.000 1.084 210 S CA 0.166 58.473 58.200 0.178 0.000 1.107 210 S CB 0.688 64.078 63.200 0.317 0.000 0.981 210 S HN 1.132 nan 8.310 nan 0.000 0.466 211 A N 3.695 126.453 122.820 -0.103 0.000 2.504 211 A HA 0.700 5.021 4.320 0.001 0.000 0.285 211 A C 0.952 178.049 177.584 -0.811 0.000 1.261 211 A CA -0.444 51.257 52.037 -0.560 0.000 0.741 211 A CB 0.341 19.181 19.000 -0.266 0.000 1.327 211 A HN 0.922 nan 8.150 nan 0.000 0.441 212 V N 0.586 119.931 119.914 -0.948 0.000 2.469 212 V HA -0.128 3.992 4.120 0.001 0.000 0.251 212 V C 1.277 177.278 176.094 -0.155 0.000 1.064 212 V CA 2.923 64.957 62.300 -0.444 0.000 1.066 212 V CB -0.669 31.024 31.823 -0.216 0.000 0.667 212 V HN 0.916 nan 8.190 nan 0.000 0.461 213 D N -1.272 119.061 120.400 -0.112 0.000 2.395 213 D HA 0.391 5.032 4.640 0.001 0.000 0.226 213 D C 0.731 177.016 176.300 -0.025 0.000 1.146 213 D CA 0.793 54.787 54.000 -0.009 0.000 0.830 213 D CB 0.049 40.878 40.800 0.048 0.000 0.958 213 D HN 0.680 nan 8.370 nan 0.000 0.501 214 G N -0.883 107.864 108.800 -0.088 0.000 2.483 214 G HA2 -0.092 3.869 3.960 0.001 0.000 0.521 214 G HA3 -0.092 3.869 3.960 0.001 0.000 0.521 214 G C -1.125 173.598 174.900 -0.295 0.000 1.278 214 G CA -0.456 44.526 45.100 -0.196 0.000 0.965 214 G HN 0.255 nan 8.290 nan 0.000 0.504 215 V N 2.448 122.113 119.914 -0.415 0.000 2.407 215 V HA 0.561 4.681 4.120 0.001 0.000 0.278 215 V C 0.179 175.773 176.094 -0.833 0.000 1.037 215 V CA -0.419 61.591 62.300 -0.483 0.000 0.900 215 V CB 1.106 32.661 31.823 -0.447 0.000 0.983 215 V HN 0.718 nan 8.190 nan 0.000 0.459 216 H N 4.251 123.000 119.070 -0.534 0.000 2.622 216 H HA 0.547 5.104 4.556 0.001 0.000 0.363 216 H C -1.284 173.659 175.328 -0.642 0.000 1.151 216 H CA -0.428 55.318 56.048 -0.503 0.000 1.184 216 H CB 2.111 31.731 29.762 -0.236 0.000 1.643 216 H HN 0.479 nan 8.280 nan 0.000 0.531 217 F N 0.366 120.364 119.950 0.080 0.000 2.495 217 F HA 0.292 4.820 4.527 0.001 0.000 0.327 217 F C 0.447 176.257 175.800 0.016 0.000 1.103 217 F CA -0.719 57.300 58.000 0.032 0.000 0.949 217 F CB 1.149 40.151 39.000 0.003 0.000 1.142 217 F HN 0.340 nan 8.300 nan 0.000 0.457 218 C N 1.933 121.332 119.300 0.165 0.000 2.520 218 C HA 0.681 5.142 4.460 0.001 0.000 0.376 218 C C 0.876 175.911 174.990 0.075 0.000 1.268 218 C CA -0.744 58.315 59.018 0.068 0.000 2.414 218 C CB 0.438 28.181 27.740 0.005 0.000 2.521 218 C HN 0.937 nan 8.230 nan 0.000 0.618 219 A N 3.597 126.437 122.820 0.034 0.000 2.483 219 A HA 0.438 4.759 4.320 0.001 0.000 0.238 219 A C -2.193 175.398 177.584 0.012 0.000 1.070 219 A CA -0.624 51.431 52.037 0.029 0.000 0.770 219 A CB -0.536 18.477 19.000 0.023 0.000 1.008 219 A HN 0.735 nan 8.150 nan 0.000 0.497 220 P HA 0.154 nan 4.420 nan 0.000 0.264 220 P C -0.712 176.567 177.300 -0.034 0.000 1.193 220 P CA 0.208 63.306 63.100 -0.003 0.000 0.763 220 P CB 0.384 32.102 31.700 0.031 0.000 0.810 221 V N 4.348 124.207 119.914 -0.092 0.000 2.347 221 V HA 0.479 4.599 4.120 0.001 0.000 0.280 221 V C 1.084 176.997 176.094 -0.301 0.000 1.021 221 V CA -0.258 61.927 62.300 -0.192 0.000 0.847 221 V CB 1.193 32.898 31.823 -0.196 0.000 0.990 221 V HN 0.711 nan 8.190 nan 0.000 0.444 222 G N 3.546 111.923 108.800 -0.703 0.000 2.476 222 G HA2 0.623 4.583 3.960 0.001 0.000 0.286 222 G HA3 0.623 4.583 3.960 0.001 0.000 0.286 222 G C -0.719 173.276 174.900 -1.508 0.000 1.177 222 G CA -0.266 44.225 45.100 -1.015 0.000 0.870 222 G HN 1.046 nan 8.290 nan 0.000 0.528 223 H N -1.691 116.759 119.070 -1.033 0.000 3.016 223 H HA 0.715 5.272 4.556 0.001 0.000 0.362 223 H C -0.749 174.566 175.328 -0.022 0.000 1.233 223 H CA -1.176 54.503 56.048 -0.616 0.000 1.124 223 H CB 1.761 31.381 29.762 -0.237 0.000 1.850 223 H HN 0.565 nan 8.280 nan 0.000 0.549 224 R N 2.113 122.820 120.500 0.345 0.000 2.393 224 R HA 0.277 4.618 4.340 0.001 0.000 0.315 224 R C -1.177 175.339 176.300 0.360 0.000 0.952 224 R CA -0.790 55.551 56.100 0.402 0.000 0.842 224 R CB 1.176 31.761 30.300 0.474 0.000 1.163 224 R HN 0.706 nan 8.270 nan 0.000 0.450 225 Q N 2.543 122.530 119.800 0.312 0.000 2.266 225 Q HA 0.273 4.613 4.340 0.001 0.000 0.261 225 Q C -1.010 175.111 176.000 0.201 0.000 0.985 225 Q CA -0.459 55.515 55.803 0.285 0.000 0.873 225 Q CB 2.484 31.404 28.738 0.304 0.000 1.306 225 Q HN 0.693 nan 8.270 nan 0.000 0.447 226 E N 1.161 121.456 120.200 0.159 0.000 2.307 226 E HA 0.166 4.516 4.350 0.001 0.000 0.280 226 E C -1.307 175.349 176.600 0.094 0.000 0.900 226 E CA -0.226 56.238 56.400 0.108 0.000 0.790 226 E CB 0.803 30.552 29.700 0.082 0.000 1.261 226 E HN 0.643 nan 8.360 nan 0.000 0.405 227 D N 3.681 124.133 120.400 0.087 0.000 2.772 227 D HA -0.203 4.438 4.640 0.001 0.000 0.233 227 D C 0.665 177.030 176.300 0.107 0.000 1.143 227 D CA 2.226 56.277 54.000 0.085 0.000 0.700 227 D CB -1.415 39.418 40.800 0.056 0.000 1.076 227 D HN 1.128 nan 8.370 nan 0.000 0.430 228 G N -0.747 108.132 108.800 0.132 0.000 2.148 228 G HA2 -0.248 3.712 3.960 0.001 0.000 0.254 228 G HA3 -0.248 3.712 3.960 0.001 0.000 0.254 228 G C -0.225 174.753 174.900 0.130 0.000 0.981 228 G CA 0.283 45.466 45.100 0.138 0.000 0.670 228 G HN 0.668 nan 8.290 nan 0.000 0.528 229 D N -0.825 119.654 120.400 0.132 0.000 2.780 229 D HA 0.434 5.075 4.640 0.001 0.000 0.242 229 D C 0.150 176.553 176.300 0.172 0.000 1.135 229 D CA -0.550 53.526 54.000 0.127 0.000 0.859 229 D CB 1.434 42.274 40.800 0.066 0.000 1.530 229 D HN 0.270 nan 8.370 nan 0.000 0.493 230 Y N 2.000 122.366 120.300 0.111 0.000 2.511 230 Y HA 0.205 4.756 4.550 0.001 0.000 0.332 230 Y C 0.694 176.676 175.900 0.136 0.000 1.177 230 Y CA 0.119 58.304 58.100 0.142 0.000 1.422 230 Y CB 0.828 39.352 38.460 0.107 0.000 1.271 230 Y HN 0.188 nan 8.280 nan 0.000 0.550 231 R N 2.704 123.190 120.500 -0.022 0.000 2.167 231 R HA 0.257 4.598 4.340 0.001 0.000 0.195 231 R C -0.509 175.728 176.300 -0.105 0.000 1.027 231 R CA 0.352 56.370 56.100 -0.137 0.000 1.114 231 R CB -0.031 30.292 30.300 0.038 0.000 1.075 231 R HN 0.819 nan 8.270 nan 0.000 0.538 232 E N -0.134 120.208 120.200 0.237 0.000 2.408 232 E HA 0.403 4.754 4.350 0.001 0.000 0.275 232 E C -1.172 175.804 176.600 0.627 0.000 0.935 232 E CA -0.575 56.077 56.400 0.420 0.000 0.775 232 E CB 2.384 32.341 29.700 0.428 0.000 1.277 232 E HN 0.075 nan 8.360 nan 0.000 0.455 233 S N -0.067 115.960 115.700 0.544 0.000 2.595 233 S HA 0.876 5.347 4.470 0.001 0.000 0.281 233 S C -1.611 173.160 174.600 0.285 0.000 1.117 233 S CA -1.084 57.203 58.200 0.145 0.000 0.873 233 S CB 1.048 64.199 63.200 -0.081 0.000 1.108 233 S HN 0.673 nan 8.310 nan 0.000 0.477 234 W N -0.092 121.288 121.300 0.133 0.000 3.074 234 W HA 0.808 5.469 4.660 0.001 0.000 0.332 234 W C -1.534 175.022 176.519 0.061 0.000 1.253 234 W CA -0.741 56.658 57.345 0.090 0.000 1.180 234 W CB 0.991 30.494 29.460 0.072 0.000 1.445 234 W HN 0.943 nan 8.180 nan 0.000 0.573 235 Q N 1.879 121.833 119.800 0.256 0.000 2.352 235 Q HA 0.444 4.785 4.340 0.001 0.000 0.270 235 Q C -2.947 173.149 176.000 0.160 0.000 1.006 235 Q CA -1.848 54.040 55.803 0.143 0.000 0.880 235 Q CB 3.477 32.245 28.738 0.050 0.000 1.392 235 Q HN 0.244 nan 8.270 nan 0.000 0.401 236 P HA 0.153 nan 4.420 nan 0.000 0.284 236 P C -1.507 175.898 177.300 0.174 0.000 1.258 236 P CA -0.451 62.715 63.100 0.110 0.000 0.824 236 P CB 1.020 32.762 31.700 0.071 0.000 1.038 237 Q N 1.803 121.687 119.800 0.140 0.000 2.274 237 Q HA 0.142 4.483 4.340 0.001 0.000 0.256 237 Q C -0.358 175.665 176.000 0.039 0.000 0.927 237 Q CA -0.058 55.847 55.803 0.169 0.000 0.939 237 Q CB 0.460 29.271 28.738 0.121 0.000 1.201 237 Q HN 0.262 nan 8.270 nan 0.000 0.426 238 Q N 3.995 123.775 119.800 -0.035 0.000 2.337 238 Q HA 0.256 4.596 4.340 0.001 0.000 0.270 238 Q C -0.482 175.501 176.000 -0.029 0.000 1.002 238 Q CA 0.625 56.406 55.803 -0.038 0.000 0.888 238 Q CB 0.803 29.508 28.738 -0.055 0.000 1.222 238 Q HN 0.707 nan 8.270 nan 0.000 0.400 239 M N 0.659 120.303 119.600 0.073 0.000 2.531 239 M HA 0.230 4.711 4.480 0.001 0.000 0.286 239 M C -0.163 176.202 176.300 0.109 0.000 1.232 239 M CA -0.820 54.581 55.300 0.169 0.000 0.877 239 M CB 2.398 35.109 32.600 0.186 0.000 1.726 239 M HN 0.681 nan 8.290 nan 0.000 0.463 240 S N 0.659 116.431 115.700 0.120 0.000 2.576 240 S HA 0.237 4.708 4.470 0.001 0.000 0.272 240 S C -2.167 172.463 174.600 0.049 0.000 1.352 240 S CA -0.756 57.489 58.200 0.074 0.000 1.021 240 S CB 0.068 63.310 63.200 0.070 0.000 0.887 240 S HN 0.462 nan 8.310 nan 0.000 0.542 241 P HA -0.083 nan 4.420 nan 0.000 0.215 241 P C 1.717 179.020 177.300 0.006 0.000 1.153 241 P CA 0.499 63.609 63.100 0.016 0.000 0.853 241 P CB -0.100 31.609 31.700 0.013 0.000 0.788 242 L N -0.299 120.931 121.223 0.012 0.000 2.046 242 L HA -0.101 4.240 4.340 0.001 0.000 0.208 242 L C 2.229 179.099 176.870 -0.000 0.000 1.077 242 L CA 2.089 56.931 54.840 0.004 0.000 0.747 242 L CB -1.533 40.533 42.059 0.011 0.000 0.896 242 L HN -0.117 nan 8.230 nan 0.000 0.432 243 A N -0.704 122.126 122.820 0.016 0.000 1.877 243 A HA -0.194 4.127 4.320 0.001 0.000 0.216 243 A C 2.245 179.824 177.584 -0.009 0.000 1.186 243 A CA 1.894 53.941 52.037 0.016 0.000 0.620 243 A CB -1.022 18.011 19.000 0.056 0.000 0.822 243 A HN 0.478 nan 8.150 nan 0.000 0.443 244 L N 0.431 121.649 121.223 -0.008 0.000 2.017 244 L HA -0.178 4.163 4.340 0.001 0.000 0.208 244 L C 2.450 179.250 176.870 -0.116 0.000 1.073 244 L CA 2.813 57.622 54.840 -0.053 0.000 0.745 244 L CB -0.663 41.374 42.059 -0.037 0.000 0.894 244 L HN 0.667 nan 8.230 nan 0.000 0.432 245 E N -0.543 119.605 120.200 -0.087 0.000 2.085 245 E HA -0.292 4.059 4.350 0.001 0.000 0.194 245 E C 2.286 178.821 176.600 -0.109 0.000 0.994 245 E CA 1.405 57.743 56.400 -0.104 0.000 0.801 245 E CB -0.245 29.421 29.700 -0.058 0.000 0.743 245 E HN 0.501 nan 8.360 nan 0.000 0.453 246 R N 0.190 120.646 120.500 -0.072 0.000 2.081 246 R HA -0.089 4.252 4.340 0.001 0.000 0.235 246 R C 2.521 178.770 176.300 -0.084 0.000 1.131 246 R CA 1.291 57.354 56.100 -0.061 0.000 0.960 246 R CB -0.369 29.911 30.300 -0.032 0.000 0.856 246 R HN 0.294 nan 8.270 nan 0.000 0.436 247 A N 0.950 123.708 122.820 -0.104 0.000 1.933 247 A HA -0.206 4.114 4.320 0.001 0.000 0.218 247 A C 2.021 179.479 177.584 -0.210 0.000 1.175 247 A CA 1.183 53.148 52.037 -0.122 0.000 0.628 247 A CB -0.338 18.596 19.000 -0.109 0.000 0.814 247 A HN 0.327 nan 8.150 nan 0.000 0.444 248 Q N -0.512 119.071 119.800 -0.361 0.000 2.084 248 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 248 Q C 2.002 177.822 176.000 -0.300 0.000 0.978 248 Q CA 1.605 56.988 55.803 -0.701 0.000 0.844 248 Q CB -0.196 27.960 28.738 -0.970 0.000 0.898 248 Q HN 0.772 nan 8.270 nan 0.000 0.426 249 E N 0.599 120.699 120.200 -0.166 0.000 2.038 249 E HA -0.202 4.149 4.350 0.001 0.000 0.195 249 E C 2.014 178.588 176.600 -0.044 0.000 1.000 249 E CA 1.110 57.472 56.400 -0.063 0.000 0.803 249 E CB -0.161 29.506 29.700 -0.054 0.000 0.750 249 E HN 0.348 nan 8.360 nan 0.000 0.448 250 I N 1.123 121.659 120.570 -0.057 0.000 2.179 250 I HA -0.282 3.889 4.170 0.001 0.000 0.242 250 I C 2.580 178.670 176.117 -0.044 0.000 1.088 250 I CA 1.031 62.300 61.300 -0.052 0.000 1.357 250 I CB -0.331 37.659 38.000 -0.018 0.000 1.051 250 I HN 0.091 nan 8.210 nan 0.000 0.409 251 A N 0.687 123.505 122.820 -0.002 0.000 1.902 251 A HA -0.249 4.072 4.320 0.001 0.000 0.217 251 A C 2.447 180.067 177.584 0.061 0.000 1.181 251 A CA 1.787 53.859 52.037 0.059 0.000 0.623 251 A CB -0.660 18.431 19.000 0.151 0.000 0.818 251 A HN 0.369 nan 8.150 nan 0.000 0.443 252 R N -0.152 120.435 120.500 0.144 0.000 2.073 252 R HA -0.156 4.185 4.340 0.001 0.000 0.234 252 R C 2.016 178.290 176.300 -0.044 0.000 1.134 252 R CA 1.726 57.883 56.100 0.094 0.000 0.952 252 R CB -0.229 30.181 30.300 0.184 0.000 0.850 252 R HN 0.377 nan 8.270 nan 0.000 0.433 253 K N 0.153 120.520 120.400 -0.054 0.000 2.063 253 K HA -0.126 4.194 4.320 0.001 0.000 0.208 253 K C 2.129 178.637 176.600 -0.153 0.000 1.048 253 K CA 1.524 57.753 56.287 -0.097 0.000 0.928 253 K CB -0.384 32.056 32.500 -0.101 0.000 0.713 253 K HN 0.129 nan 8.250 nan 0.000 0.442 254 V N 1.741 121.538 119.914 -0.195 0.000 2.261 254 V HA -0.214 3.906 4.120 0.001 0.000 0.246 254 V C 2.591 178.504 176.094 -0.302 0.000 1.047 254 V CA 1.926 64.073 62.300 -0.255 0.000 1.015 254 V CB -0.652 31.017 31.823 -0.257 0.000 0.642 254 V HN 0.216 nan 8.190 nan 0.000 0.446 255 V N -1.423 118.235 119.914 -0.427 0.000 2.427 255 V HA -0.199 3.922 4.120 0.001 0.000 0.248 255 V C 2.187 178.012 176.094 -0.448 0.000 1.051 255 V CA 1.879 63.681 62.300 -0.831 0.000 1.048 255 V CB -0.827 30.328 31.823 -1.114 0.000 0.666 255 V HN 0.452 nan 8.190 nan 0.000 0.456 256 L N 0.659 121.735 121.223 -0.245 0.000 2.056 256 L HA -0.029 4.312 4.340 0.001 0.000 0.207 256 L C 3.068 179.880 176.870 -0.096 0.000 1.078 256 L CA 1.648 56.413 54.840 -0.125 0.000 0.749 256 L CB -0.924 41.086 42.059 -0.081 0.000 0.901 256 L HN 0.444 nan 8.230 nan 0.000 0.433 257 A N 0.078 122.828 122.820 -0.117 0.000 1.898 257 A HA -0.134 4.187 4.320 0.001 0.000 0.216 257 A C 2.235 179.787 177.584 -0.054 0.000 1.181 257 A CA 1.281 53.268 52.037 -0.083 0.000 0.620 257 A CB -0.593 18.348 19.000 -0.099 0.000 0.819 257 A HN 0.356 nan 8.150 nan 0.000 0.442 258 L N -1.174 120.012 121.223 -0.061 0.000 2.156 258 L HA 0.141 4.482 4.340 0.001 0.000 0.208 258 L C 1.417 178.337 176.870 0.084 0.000 1.095 258 L CA 0.534 55.395 54.840 0.034 0.000 0.770 258 L CB -0.973 41.160 42.059 0.123 0.000 0.914 258 L HN 0.655 nan 8.230 nan 0.000 0.439 259 G N -0.749 108.090 108.800 0.065 0.000 2.755 259 G HA2 0.203 4.164 3.960 0.001 0.000 0.686 259 G HA3 0.203 4.164 3.960 0.001 0.000 0.686 259 G C 0.105 175.122 174.900 0.196 0.000 1.427 259 G CA -0.431 44.722 45.100 0.090 0.000 0.873 259 G HN 0.798 nan 8.290 nan 0.000 0.580 260 G N -0.795 108.070 108.800 0.108 0.000 2.730 260 G HA2 0.306 4.267 3.960 0.001 0.000 0.686 260 G HA3 0.306 4.267 3.960 0.001 0.000 0.686 260 G C -0.423 174.651 174.900 0.290 0.000 1.343 260 G CA 0.124 45.266 45.100 0.070 0.000 0.826 260 G HN 1.856 nan 8.290 nan 0.000 0.582 261 Y N 0.575 120.982 120.300 0.178 0.000 2.304 261 Y HA 0.642 5.193 4.550 0.001 0.000 0.328 261 Y C 1.252 177.239 175.900 0.145 0.000 1.123 261 Y CA -0.089 58.116 58.100 0.174 0.000 1.218 261 Y CB 1.290 39.821 38.460 0.118 0.000 1.207 261 Y HN 1.751 nan 8.280 nan 0.000 0.495 262 G N 1.289 110.297 108.800 0.347 0.000 2.337 262 G HA2 0.279 4.240 3.960 0.001 0.000 0.298 262 G HA3 0.279 4.240 3.960 0.001 0.000 0.298 262 G C -2.406 172.662 174.900 0.281 0.000 1.335 262 G CA -1.180 44.057 45.100 0.228 0.000 0.875 262 G HN 0.660 nan 8.290 nan 0.000 0.579 263 L N -0.181 121.257 121.223 0.357 0.000 2.295 263 L HA 0.887 5.228 4.340 0.001 0.000 0.285 263 L C -1.188 175.642 176.870 -0.066 0.000 1.035 263 L CA -0.854 54.079 54.840 0.155 0.000 0.806 263 L CB 0.745 42.831 42.059 0.045 0.000 1.214 263 L HN 0.401 nan 8.230 nan 0.000 0.426 264 F N 2.406 122.363 119.950 0.012 0.000 2.520 264 F HA 0.547 5.075 4.527 0.001 0.000 0.322 264 F C 0.818 176.594 175.800 -0.040 0.000 1.103 264 F CA -0.806 57.193 58.000 -0.001 0.000 0.926 264 F CB 1.984 41.007 39.000 0.038 0.000 1.154 264 F HN 0.493 nan 8.300 nan 0.000 0.453 265 G N 2.390 111.255 108.800 0.109 0.000 2.663 265 G HA2 0.453 4.414 3.960 0.001 0.000 0.320 265 G HA3 0.453 4.414 3.960 0.001 0.000 0.320 265 G C -0.862 173.978 174.900 -0.099 0.000 0.937 265 G CA -0.374 44.676 45.100 -0.083 0.000 1.332 265 G HN 0.450 nan 8.290 nan 0.000 0.461 266 V N 3.342 123.221 119.914 -0.060 0.000 2.356 266 V HA 0.105 4.226 4.120 0.001 0.000 0.258 266 V C 0.496 176.490 176.094 -0.168 0.000 1.065 266 V CA -0.399 61.893 62.300 -0.014 0.000 0.935 266 V CB 0.387 32.260 31.823 0.082 0.000 1.061 266 V HN 0.670 nan 8.190 nan 0.000 0.484 267 E N 5.600 125.638 120.200 -0.270 0.000 2.257 267 E HA 0.500 4.851 4.350 0.001 0.000 0.278 267 E C -0.812 175.496 176.600 -0.488 0.000 1.049 267 E CA -0.118 56.065 56.400 -0.362 0.000 0.876 267 E CB 0.987 30.476 29.700 -0.351 0.000 1.035 267 E HN 0.531 nan 8.360 nan 0.000 0.419 268 L N 2.759 123.735 121.223 -0.411 0.000 2.350 268 L HA 0.541 4.881 4.340 0.001 0.000 0.260 268 L C -0.911 175.688 176.870 -0.453 0.000 1.015 268 L CA -1.047 53.531 54.840 -0.438 0.000 0.821 268 L CB 1.226 43.167 42.059 -0.196 0.000 1.370 268 L HN 0.376 nan 8.230 nan 0.000 0.416 269 F N 0.875 120.669 119.950 -0.260 0.000 2.458 269 F HA 0.644 5.172 4.527 0.001 0.000 0.336 269 F C -0.062 175.574 175.800 -0.274 0.000 1.114 269 F CA -1.116 56.663 58.000 -0.367 0.000 0.987 269 F CB 1.913 40.790 39.000 -0.206 0.000 1.130 269 F HN -0.095 nan 8.300 nan 0.000 0.458 270 V N 2.054 121.831 119.914 -0.227 0.000 2.495 270 V HA 0.390 4.511 4.120 0.001 0.000 0.298 270 V C -0.748 175.180 176.094 -0.276 0.000 1.031 270 V CA -0.713 61.372 62.300 -0.358 0.000 0.871 270 V CB 1.718 33.036 31.823 -0.843 0.000 0.988 270 V HN 0.891 nan 8.190 nan 0.000 0.432 271 C N 4.943 124.176 119.300 -0.112 0.000 2.816 271 C HA 0.742 5.203 4.460 0.001 0.000 0.255 271 C C 1.301 176.282 174.990 -0.014 0.000 1.141 271 C CA 0.118 59.116 59.018 -0.033 0.000 1.554 271 C CB -0.771 26.982 27.740 0.022 0.000 1.778 271 C HN 1.361 nan 8.230 nan 0.000 0.429 272 G N 3.398 112.199 108.800 0.001 0.000 2.595 272 G HA2 -0.260 3.701 3.960 0.001 0.000 0.297 272 G HA3 -0.260 3.701 3.960 0.001 0.000 0.297 272 G C 0.458 175.386 174.900 0.046 0.000 1.181 272 G CA 0.911 46.041 45.100 0.050 0.000 0.963 272 G HN 0.461 nan 8.290 nan 0.000 0.541 273 D N 2.362 122.782 120.400 0.034 0.000 2.369 273 D HA 0.267 4.908 4.640 0.001 0.000 0.211 273 D C 0.775 177.083 176.300 0.013 0.000 1.077 273 D CA 0.552 54.569 54.000 0.029 0.000 0.842 273 D CB 0.379 41.196 40.800 0.028 0.000 0.947 273 D HN 0.634 nan 8.370 nan 0.000 0.509 274 E N 0.244 120.448 120.200 0.007 0.000 2.249 274 E HA 0.441 4.791 4.350 0.001 0.000 0.280 274 E C -0.578 176.020 176.600 -0.003 0.000 1.016 274 E CA -0.489 55.916 56.400 0.009 0.000 0.830 274 E CB 2.465 32.178 29.700 0.021 0.000 1.081 274 E HN -0.239 nan 8.360 nan 0.000 0.395 275 V N 4.083 123.999 119.914 0.005 0.000 2.604 275 V HA 0.459 4.579 4.120 0.001 0.000 0.305 275 V C -0.386 175.730 176.094 0.036 0.000 1.043 275 V CA -0.695 61.604 62.300 -0.001 0.000 0.888 275 V CB 1.384 33.194 31.823 -0.022 0.000 0.995 275 V HN 0.563 nan 8.190 nan 0.000 0.429 276 I N 4.090 124.692 120.570 0.052 0.000 2.465 276 I HA 0.421 4.592 4.170 0.001 0.000 0.291 276 I C -0.644 175.476 176.117 0.004 0.000 1.014 276 I CA -0.478 60.879 61.300 0.096 0.000 1.093 276 I CB 2.019 40.144 38.000 0.207 0.000 1.267 276 I HN 0.597 nan 8.210 nan 0.000 0.431 277 F N 5.257 125.149 119.950 -0.097 0.000 2.443 277 F HA 0.241 4.769 4.527 0.001 0.000 0.353 277 F C 1.105 176.759 175.800 -0.244 0.000 1.101 277 F CA 0.638 58.535 58.000 -0.172 0.000 1.226 277 F CB 1.388 40.329 39.000 -0.098 0.000 1.140 277 F HN 0.532 nan 8.300 nan 0.000 0.557 278 S N 3.090 117.998 115.700 -1.322 0.000 2.738 278 S HA 0.242 4.713 4.470 0.001 0.000 0.216 278 S C -0.299 173.581 174.600 -1.200 0.000 0.968 278 S CA 0.501 58.032 58.200 -1.115 0.000 0.879 278 S CB -0.224 62.247 63.200 -1.215 0.000 0.837 278 S HN 0.846 nan 8.310 nan 0.000 0.622 279 E N -0.829 118.626 120.200 -1.242 0.000 2.439 279 E HA 0.631 4.982 4.350 0.001 0.000 0.279 279 E C -1.712 174.712 176.600 -0.294 0.000 1.077 279 E CA -1.014 55.011 56.400 -0.624 0.000 0.849 279 E CB 1.628 31.194 29.700 -0.224 0.000 1.408 279 E HN 0.182 nan 8.360 nan 0.000 0.457 280 V N 0.991 120.947 119.914 0.070 0.000 2.777 280 V HA 0.540 4.660 4.120 0.001 0.000 0.306 280 V C -1.392 174.803 176.094 0.169 0.000 1.112 280 V CA -0.009 62.395 62.300 0.173 0.000 0.917 280 V CB 2.133 34.158 31.823 0.338 0.000 1.018 280 V HN 0.886 nan 8.190 nan 0.000 0.426 281 S N 7.383 123.184 115.700 0.169 0.000 2.430 281 S HA 0.554 5.025 4.470 0.001 0.000 0.289 281 S C -2.283 172.369 174.600 0.087 0.000 1.143 281 S CA -1.342 56.928 58.200 0.116 0.000 1.067 281 S CB 1.391 64.662 63.200 0.119 0.000 0.964 281 S HN 0.746 nan 8.310 nan 0.000 0.485 282 P HA 0.209 nan 4.420 nan 0.000 0.226 282 P C -0.326 176.742 177.300 -0.387 0.000 1.758 282 P CA -0.169 62.822 63.100 -0.181 0.000 0.896 282 P CB -0.738 30.952 31.700 -0.017 0.000 1.784 283 R N -2.426 117.863 120.500 -0.351 0.000 2.832 283 R HA 0.472 4.813 4.340 0.001 0.000 0.283 283 R C -3.484 172.577 176.300 -0.399 0.000 0.998 283 R CA -2.055 53.751 56.100 -0.490 0.000 0.843 283 R CB -0.792 29.330 30.300 -0.297 0.000 1.332 283 R HN -0.297 nan 8.270 nan 0.000 0.490 284 P HA 0.002 nan 4.420 nan 0.000 0.267 284 P C -1.061 176.147 177.300 -0.153 0.000 1.200 284 P CA 0.221 63.127 63.100 -0.323 0.000 0.772 284 P CB 0.306 31.816 31.700 -0.317 0.000 0.855 285 H N 2.712 121.631 119.070 -0.251 0.000 2.472 285 H HA 0.083 4.640 4.556 0.001 0.000 0.338 285 H C 0.692 175.892 175.328 -0.212 0.000 1.133 285 H CA -0.450 55.470 56.048 -0.212 0.000 1.216 285 H CB 1.461 31.079 29.762 -0.240 0.000 1.497 285 H HN 0.410 nan 8.280 nan 0.000 0.500 286 D N 1.993 122.101 120.400 -0.487 0.000 2.133 286 D HA -0.234 4.406 4.640 0.001 0.000 0.195 286 D C 1.723 177.759 176.300 -0.440 0.000 0.997 286 D CA 2.198 56.024 54.000 -0.290 0.000 0.840 286 D CB -0.959 39.740 40.800 -0.169 0.000 0.947 286 D HN 0.647 nan 8.370 nan 0.000 0.452 287 T N -2.617 111.590 114.554 -0.577 0.000 2.881 287 T HA -0.025 4.326 4.350 0.001 0.000 0.270 287 T C 2.117 176.609 174.700 -0.347 0.000 1.068 287 T CA 1.258 62.904 62.100 -0.756 0.000 1.131 287 T CB -1.122 67.349 68.868 -0.662 0.000 0.871 287 T HN 0.297 nan 8.240 nan 0.000 0.479 288 G N 0.526 109.213 108.800 -0.188 0.000 2.776 288 G HA2 0.101 4.061 3.960 0.001 0.000 0.209 288 G HA3 0.101 4.061 3.960 0.001 0.000 0.209 288 G C 1.373 176.211 174.900 -0.104 0.000 1.145 288 G CA 0.035 45.030 45.100 -0.174 0.000 0.791 288 G HN 0.493 nan 8.290 nan 0.000 0.530 289 M N 0.047 119.649 119.600 0.003 0.000 2.446 289 M HA -0.048 4.433 4.480 0.001 0.000 0.263 289 M C 2.545 178.942 176.300 0.162 0.000 1.066 289 M CA 0.588 56.004 55.300 0.193 0.000 1.087 289 M CB -0.109 32.667 32.600 0.293 0.000 1.406 289 M HN 0.192 nan 8.290 nan 0.000 0.459 290 V N 0.830 120.799 119.914 0.092 0.000 2.469 290 V HA -0.244 3.876 4.120 0.001 0.000 0.251 290 V C 2.290 178.440 176.094 0.093 0.000 1.064 290 V CA 2.554 64.919 62.300 0.109 0.000 1.066 290 V CB -0.735 31.142 31.823 0.089 0.000 0.667 290 V HN 0.689 nan 8.190 nan 0.000 0.461 291 T N -2.221 112.359 114.554 0.043 0.000 3.155 291 T HA -0.069 4.281 4.350 0.001 0.000 0.264 291 T C 1.684 176.438 174.700 0.090 0.000 1.160 291 T CA 1.366 63.481 62.100 0.026 0.000 1.075 291 T CB -0.538 68.292 68.868 -0.063 0.000 0.921 291 T HN 0.513 nan 8.240 nan 0.000 0.533 292 L N -0.668 120.646 121.223 0.152 0.000 2.217 292 L HA 0.282 4.623 4.340 0.001 0.000 0.211 292 L C 2.359 179.324 176.870 0.157 0.000 1.107 292 L CA 1.040 55.992 54.840 0.186 0.000 0.783 292 L CB -0.222 41.964 42.059 0.211 0.000 0.919 292 L HN 0.340 nan 8.230 nan 0.000 0.442 293 I N -1.890 118.772 120.570 0.154 0.000 4.244 293 I HA -0.079 4.091 4.170 0.001 0.000 0.318 293 I C 2.187 178.444 176.117 0.234 0.000 1.282 293 I CA 0.418 61.817 61.300 0.166 0.000 1.276 293 I CB 0.497 38.576 38.000 0.132 0.000 1.183 293 I HN 0.128 nan 8.210 nan 0.000 0.431 294 S N -0.466 115.346 115.700 0.187 0.000 2.548 294 S HA 0.232 4.703 4.470 0.001 0.000 0.215 294 S C 0.578 175.191 174.600 0.021 0.000 0.976 294 S CA -0.245 58.061 58.200 0.176 0.000 0.908 294 S CB 0.044 63.305 63.200 0.101 0.000 0.781 294 S HN 0.446 nan 8.310 nan 0.000 0.519 295 Q N 0.457 120.224 119.800 -0.055 0.000 2.456 295 Q HA 0.282 4.623 4.340 0.001 0.000 0.283 295 Q C -0.358 175.471 176.000 -0.285 0.000 1.084 295 Q CA -0.495 55.093 55.803 -0.360 0.000 0.801 295 Q CB 1.673 30.299 28.738 -0.187 0.000 1.434 295 Q HN 0.238 nan 8.270 nan 0.000 0.419 296 D N 0.478 120.610 120.400 -0.447 0.000 2.117 296 D HA -0.113 4.528 4.640 0.001 0.000 0.198 296 D C 0.282 176.573 176.300 -0.016 0.000 0.982 296 D CA 1.294 55.245 54.000 -0.082 0.000 0.828 296 D CB 0.156 40.915 40.800 -0.069 0.000 0.967 296 D HN 0.296 nan 8.370 nan 0.000 0.464 297 L N 1.600 122.778 121.223 -0.076 0.000 2.276 297 L HA 0.277 4.618 4.340 0.001 0.000 0.286 297 L C 0.534 177.378 176.870 -0.044 0.000 1.024 297 L CA -0.834 53.977 54.840 -0.048 0.000 0.826 297 L CB 1.711 43.720 42.059 -0.083 0.000 1.211 297 L HN 0.028 nan 8.230 nan 0.000 0.422 298 S N 0.921 116.628 115.700 0.012 0.000 2.596 298 S HA 0.019 4.490 4.470 0.001 0.000 0.260 298 S C 1.169 175.709 174.600 -0.100 0.000 1.336 298 S CA -0.024 58.181 58.200 0.009 0.000 0.993 298 S CB 0.776 64.080 63.200 0.173 0.000 0.923 298 S HN 0.812 nan 8.310 nan 0.000 0.567 299 E N 0.614 120.639 120.200 -0.290 0.000 2.209 299 E HA -0.197 4.153 4.350 0.001 0.000 0.196 299 E C 1.185 177.541 176.600 -0.407 0.000 0.993 299 E CA 1.284 57.437 56.400 -0.411 0.000 0.819 299 E CB -0.648 28.700 29.700 -0.587 0.000 0.745 299 E HN 0.720 nan 8.360 nan 0.000 0.477 300 F N 1.947 121.899 119.950 0.003 0.000 2.113 300 F HA 0.045 4.573 4.527 0.001 0.000 0.297 300 F C 2.769 178.584 175.800 0.026 0.000 1.103 300 F CA 0.948 58.965 58.000 0.029 0.000 1.248 300 F CB -0.879 38.128 39.000 0.012 0.000 0.999 300 F HN 0.121 nan 8.300 nan 0.000 0.475 301 A N 0.470 123.380 122.820 0.150 0.000 1.902 301 A HA -0.122 4.198 4.320 0.001 0.000 0.217 301 A C 2.246 179.805 177.584 -0.042 0.000 1.181 301 A CA 1.510 53.568 52.037 0.035 0.000 0.623 301 A CB -1.187 17.825 19.000 0.020 0.000 0.818 301 A HN 0.405 nan 8.150 nan 0.000 0.443 302 L N -1.745 119.450 121.223 -0.047 0.000 2.093 302 L HA -0.185 4.156 4.340 0.001 0.000 0.208 302 L C 2.650 179.499 176.870 -0.034 0.000 1.085 302 L CA 1.614 56.408 54.840 -0.077 0.000 0.755 302 L CB -0.632 41.377 42.059 -0.082 0.000 0.904 302 L HN 0.563 nan 8.230 nan 0.000 0.435 303 H N -0.242 118.776 119.070 -0.087 0.000 2.321 303 H HA -0.148 4.409 4.556 0.001 0.000 0.300 303 H C 2.098 177.351 175.328 -0.125 0.000 1.087 303 H CA 1.885 57.924 56.048 -0.015 0.000 1.319 303 H CB -0.169 29.636 29.762 0.072 0.000 1.379 303 H HN -0.009 nan 8.280 nan 0.000 0.501 304 V N 0.662 120.393 119.914 -0.305 0.000 2.261 304 V HA -0.274 3.846 4.120 0.001 0.000 0.246 304 V C 2.698 178.276 176.094 -0.860 0.000 1.047 304 V CA 2.258 64.019 62.300 -0.900 0.000 1.015 304 V CB -0.631 30.919 31.823 -0.454 0.000 0.642 304 V HN 0.372 nan 8.190 nan 0.000 0.446 305 R N 0.168 120.406 120.500 -0.435 0.000 2.094 305 R HA -0.235 4.105 4.340 0.001 0.000 0.239 305 R C 2.288 178.388 176.300 -0.335 0.000 1.137 305 R CA 2.078 57.976 56.100 -0.337 0.000 0.943 305 R CB -0.599 29.563 30.300 -0.229 0.000 0.850 305 R HN 0.496 nan 8.270 nan 0.000 0.433 306 A N 0.733 123.386 122.820 -0.280 0.000 1.877 306 A HA -0.181 4.139 4.320 0.001 0.000 0.216 306 A C 2.039 179.571 177.584 -0.088 0.000 1.186 306 A CA 1.617 53.540 52.037 -0.190 0.000 0.620 306 A CB -0.940 18.018 19.000 -0.070 0.000 0.822 306 A HN 0.635 nan 8.150 nan 0.000 0.443 307 F N 0.122 119.966 119.950 -0.176 0.000 2.234 307 F HA 0.008 4.536 4.527 0.001 0.000 0.299 307 F C 1.460 177.130 175.800 -0.217 0.000 1.087 307 F CA 1.050 58.938 58.000 -0.187 0.000 1.340 307 F CB -0.889 37.889 39.000 -0.371 0.000 1.031 307 F HN 0.081 nan 8.300 nan 0.000 0.500 308 L N 0.794 121.754 121.223 -0.439 0.000 2.549 308 L HA 0.163 4.504 4.340 0.001 0.000 0.229 308 L C 1.908 178.779 176.870 0.002 0.000 1.158 308 L CA 0.863 55.546 54.840 -0.261 0.000 0.842 308 L CB -1.168 40.671 42.059 -0.367 0.000 0.952 308 L HN 0.625 nan 8.230 nan 0.000 0.452 309 G N 0.172 109.002 108.800 0.050 0.000 2.136 309 G HA2 -0.260 3.701 3.960 0.001 0.000 0.242 309 G HA3 -0.260 3.701 3.960 0.001 0.000 0.242 309 G C 0.105 174.985 174.900 -0.034 0.000 0.989 309 G CA -0.170 44.998 45.100 0.114 0.000 0.682 309 G HN 0.231 nan 8.290 nan 0.000 0.522 310 L N 1.400 122.556 121.223 -0.111 0.000 2.399 310 L HA 0.551 4.892 4.340 0.001 0.000 0.265 310 L C -1.478 175.293 176.870 -0.165 0.000 1.089 310 L CA -2.405 52.362 54.840 -0.121 0.000 0.802 310 L CB 1.117 43.095 42.059 -0.135 0.000 1.180 310 L HN -0.054 nan 8.230 nan 0.000 0.454 311 P HA 0.077 nan 4.420 nan 0.000 0.278 311 P C 0.507 177.693 177.300 -0.190 0.000 1.238 311 P CA -0.345 62.670 63.100 -0.143 0.000 0.794 311 P CB 1.698 33.346 31.700 -0.087 0.000 0.955 312 V N 2.288 122.032 119.914 -0.283 0.000 2.283 312 V HA -0.030 4.091 4.120 0.001 0.000 0.243 312 V C 2.187 178.073 176.094 -0.348 0.000 1.039 312 V CA 2.719 64.757 62.300 -0.436 0.000 1.016 312 V CB -1.637 29.666 31.823 -0.867 0.000 0.650 312 V HN 0.996 nan 8.190 nan 0.000 0.449 313 G N -0.440 108.186 108.800 -0.291 0.000 4.039 313 G HA2 -0.120 3.840 3.960 0.001 0.000 0.220 313 G HA3 -0.120 3.840 3.960 0.001 0.000 0.220 313 G C 0.591 175.432 174.900 -0.098 0.000 1.391 313 G CA 0.033 45.062 45.100 -0.118 0.000 0.920 313 G HN 1.644 nan 8.290 nan 0.000 0.599 314 G N -1.135 107.564 108.800 -0.168 0.000 2.466 314 G HA2 0.628 4.589 3.960 0.001 0.000 0.291 314 G HA3 0.628 4.589 3.960 0.001 0.000 0.291 314 G C -1.712 173.112 174.900 -0.127 0.000 1.460 314 G CA -0.216 44.826 45.100 -0.097 0.000 0.791 314 G HN 0.972 nan 8.290 nan 0.000 0.505 315 I N 0.211 120.730 120.570 -0.086 0.000 2.498 315 I HA 0.517 4.688 4.170 0.001 0.000 0.290 315 I C 0.061 176.113 176.117 -0.109 0.000 1.032 315 I CA -0.797 60.439 61.300 -0.107 0.000 1.073 315 I CB 2.414 40.360 38.000 -0.091 0.000 1.251 315 I HN 0.500 nan 8.210 nan 0.000 0.426 316 R N 5.013 125.412 120.500 -0.169 0.000 2.346 316 R HA 0.354 4.695 4.340 0.001 0.000 0.311 316 R C -0.779 175.296 176.300 -0.374 0.000 0.983 316 R CA -0.416 55.550 56.100 -0.224 0.000 0.880 316 R CB 1.120 31.286 30.300 -0.224 0.000 1.100 316 R HN 0.495 nan 8.270 nan 0.000 0.453 317 Q N 4.410 124.061 119.800 -0.249 0.000 2.347 317 Q HA 0.100 4.440 4.340 0.001 0.000 0.262 317 Q C -0.701 175.236 176.000 -0.105 0.000 0.980 317 Q CA -0.216 55.467 55.803 -0.200 0.000 0.867 317 Q CB 1.192 29.889 28.738 -0.068 0.000 1.242 317 Q HN 0.864 nan 8.270 nan 0.000 0.453 318 Y N 1.628 121.944 120.300 0.027 0.000 2.529 318 Y HA 0.235 4.786 4.550 0.001 0.000 0.290 318 Y C 1.379 177.297 175.900 0.029 0.000 1.177 318 Y CA 0.273 58.389 58.100 0.026 0.000 1.305 318 Y CB 0.748 39.224 38.460 0.026 0.000 1.047 318 Y HN 0.828 nan 8.280 nan 0.000 0.522 319 G N -0.165 108.733 108.800 0.163 0.000 2.353 319 G HA2 -0.107 3.853 3.960 0.001 0.000 0.615 319 G HA3 -0.107 3.853 3.960 0.001 0.000 0.615 319 G C -3.122 171.845 174.900 0.111 0.000 1.280 319 G CA -1.607 43.563 45.100 0.116 0.000 1.000 319 G HN -0.196 nan 8.290 nan 0.000 0.516 320 P HA 0.444 nan 4.420 nan 0.000 0.262 320 P C 0.060 177.428 177.300 0.113 0.000 1.182 320 P CA 1.276 64.435 63.100 0.098 0.000 0.761 320 P CB 1.024 32.764 31.700 0.068 0.000 0.795 321 A N 2.326 125.233 122.820 0.144 0.000 2.609 321 A HA 0.885 5.205 4.320 0.001 0.000 0.291 321 A C -1.519 176.192 177.584 0.211 0.000 1.096 321 A CA -0.274 51.856 52.037 0.155 0.000 0.684 321 A CB 1.692 20.780 19.000 0.147 0.000 1.282 321 A HN 0.533 nan 8.150 nan 0.000 0.412 322 A N -0.053 122.888 122.820 0.202 0.000 2.609 322 A HA 0.925 5.246 4.320 0.001 0.000 0.291 322 A C -0.340 177.378 177.584 0.225 0.000 1.096 322 A CA 0.187 52.382 52.037 0.263 0.000 0.684 322 A CB 1.127 20.297 19.000 0.282 0.000 1.282 322 A HN 2.382 nan 8.150 nan 0.000 0.412 323 S N -0.278 115.583 115.700 0.269 0.000 2.566 323 S HA 0.914 5.384 4.470 0.001 0.000 0.298 323 S C -0.483 174.277 174.600 0.267 0.000 1.083 323 S CA -0.073 58.283 58.200 0.260 0.000 0.978 323 S CB 1.870 65.258 63.200 0.314 0.000 1.073 323 S HN 2.356 nan 8.310 nan 0.000 0.491 324 A N 1.724 124.646 122.820 0.170 0.000 2.408 324 A HA 0.692 5.012 4.320 0.001 0.000 0.295 324 A C -0.055 177.527 177.584 -0.003 0.000 1.040 324 A CA -0.653 51.436 52.037 0.087 0.000 0.707 324 A CB 1.042 20.089 19.000 0.079 0.000 1.235 324 A HN 1.957 nan 8.150 nan 0.000 0.418 325 V N 0.760 120.592 119.914 -0.136 0.000 2.963 325 V HA 0.532 4.653 4.120 0.001 0.000 0.306 325 V C 0.106 176.149 176.094 -0.084 0.000 1.077 325 V CA -0.096 62.120 62.300 -0.140 0.000 1.124 325 V CB 0.513 32.174 31.823 -0.269 0.000 0.987 325 V HN 0.593 nan 8.190 nan 0.000 0.487 326 I N 4.573 125.092 120.570 -0.085 0.000 2.361 326 I HA 0.334 4.505 4.170 0.001 0.000 0.282 326 I C -0.436 175.662 176.117 -0.032 0.000 1.075 326 I CA -0.160 61.099 61.300 -0.067 0.000 1.205 326 I CB 1.151 39.085 38.000 -0.110 0.000 1.406 326 I HN 0.525 nan 8.210 nan 0.000 0.481 327 L N 9.721 130.934 121.223 -0.018 0.000 2.581 327 L HA 0.546 4.887 4.340 0.001 0.000 0.241 327 L C -2.201 174.672 176.870 0.005 0.000 1.265 327 L CA -1.420 53.420 54.840 0.001 0.000 0.954 327 L CB 0.293 42.342 42.059 -0.016 0.000 1.269 327 L HN 0.237 nan 8.230 nan 0.000 0.475 328 P HA 0.270 nan 4.420 nan 0.000 0.277 328 P C -1.510 175.789 177.300 -0.002 0.000 1.271 328 P CA -0.474 62.626 63.100 0.001 0.000 0.795 328 P CB 0.906 32.602 31.700 -0.006 0.000 1.101 329 Q N 0.914 120.707 119.800 -0.012 0.000 2.294 329 Q HA 0.651 4.991 4.340 0.001 0.000 0.264 329 Q C -1.194 174.794 176.000 -0.021 0.000 0.992 329 Q CA -0.570 55.227 55.803 -0.011 0.000 0.747 329 Q CB 0.469 29.203 28.738 -0.007 0.000 1.262 329 Q HN 0.533 nan 8.270 nan 0.000 0.452 330 L N -0.522 120.686 121.223 -0.024 0.000 3.119 330 L HA 0.751 5.092 4.340 0.001 0.000 0.283 330 L C -1.413 175.440 176.870 -0.029 0.000 1.028 330 L CA -1.046 53.776 54.840 -0.031 0.000 0.975 330 L CB 1.895 43.925 42.059 -0.047 0.000 1.543 330 L HN 0.309 nan 8.230 nan 0.000 0.390 331 T N 0.946 115.481 114.554 -0.032 0.000 2.864 331 T HA 0.706 5.057 4.350 0.001 0.000 0.299 331 T C -0.785 173.894 174.700 -0.034 0.000 1.011 331 T CA -0.420 61.663 62.100 -0.029 0.000 0.975 331 T CB 1.091 69.946 68.868 -0.022 0.000 0.962 331 T HN 0.794 nan 8.240 nan 0.000 0.448 332 S N 2.322 118.001 115.700 -0.036 0.000 2.567 332 S HA 0.398 4.868 4.470 0.001 0.000 0.270 332 S C -1.091 173.492 174.600 -0.029 0.000 1.152 332 S CA -0.610 57.568 58.200 -0.038 0.000 0.835 332 S CB 1.632 64.796 63.200 -0.060 0.000 1.115 332 S HN 0.529 nan 8.310 nan 0.000 0.459 333 Q N 1.797 121.584 119.800 -0.021 0.000 2.155 333 Q HA 0.459 4.800 4.340 0.001 0.000 0.220 333 Q C -0.367 175.633 176.000 0.001 0.000 0.819 333 Q CA -0.086 55.714 55.803 -0.005 0.000 1.032 333 Q CB 0.639 29.377 28.738 0.000 0.000 1.151 333 Q HN 0.418 nan 8.270 nan 0.000 0.487 334 N N -0.114 118.576 118.700 -0.017 0.000 2.639 334 N HA 0.113 4.854 4.740 0.001 0.000 0.265 334 N C -1.538 173.935 175.510 -0.062 0.000 1.689 334 N CA -0.051 52.988 53.050 -0.018 0.000 0.813 334 N CB 0.812 39.289 38.487 -0.017 0.000 1.353 334 N HN -0.137 nan 8.380 nan 0.000 0.510 335 V N 1.248 121.109 119.914 -0.088 0.000 2.655 335 V HA 0.333 4.453 4.120 0.001 0.000 0.300 335 V C 0.946 176.832 176.094 -0.347 0.000 1.044 335 V CA 0.102 62.259 62.300 -0.238 0.000 1.095 335 V CB 0.846 32.517 31.823 -0.252 0.000 0.952 335 V HN 0.583 nan 8.190 nan 0.000 0.485 336 T N 1.567 115.824 114.554 -0.495 0.000 2.924 336 T HA 0.788 5.139 4.350 0.001 0.000 0.291 336 T C -1.031 173.241 174.700 -0.714 0.000 1.045 336 T CA -0.609 61.245 62.100 -0.410 0.000 1.015 336 T CB 1.650 70.426 68.868 -0.153 0.000 1.103 336 T HN 0.206 nan 8.240 nan 0.000 0.496 337 F N 0.901 120.836 119.950 -0.026 0.000 2.496 337 F HA 0.542 5.069 4.527 0.001 0.000 0.341 337 F C 0.075 175.858 175.800 -0.029 0.000 1.134 337 F CA -0.931 57.048 58.000 -0.036 0.000 0.968 337 F CB 1.670 40.641 39.000 -0.049 0.000 1.205 337 F HN 0.575 nan 8.300 nan 0.000 0.436 338 D N 0.911 121.365 120.400 0.090 0.000 2.449 338 D HA 0.263 4.904 4.640 0.001 0.000 0.250 338 D C 0.375 176.702 176.300 0.046 0.000 1.050 338 D CA -0.325 53.706 54.000 0.052 0.000 1.024 338 D CB 1.333 42.140 40.800 0.012 0.000 1.218 338 D HN 0.532 nan 8.370 nan 0.000 0.566 339 N N -0.033 118.684 118.700 0.028 0.000 2.741 339 N HA -0.188 4.553 4.740 0.001 0.000 0.251 339 N C 0.726 176.249 175.510 0.021 0.000 1.112 339 N CA 0.913 53.974 53.050 0.019 0.000 0.750 339 N CB -1.162 37.329 38.487 0.008 0.000 1.119 339 N HN 0.145 nan 8.380 nan 0.000 0.561 340 V N 0.662 120.594 119.914 0.030 0.000 2.568 340 V HA -0.305 3.815 4.120 0.001 0.000 0.253 340 V C 2.569 178.670 176.094 0.012 0.000 1.072 340 V CA 2.228 64.539 62.300 0.019 0.000 1.084 340 V CB -0.512 31.322 31.823 0.018 0.000 0.676 340 V HN 0.682 nan 8.190 nan 0.000 0.469 341 Q N 0.314 120.123 119.800 0.015 0.000 2.364 341 Q HA -0.209 4.131 4.340 0.001 0.000 0.209 341 Q C 1.143 177.156 176.000 0.021 0.000 0.977 341 Q CA 1.595 57.407 55.803 0.015 0.000 0.885 341 Q CB -0.616 28.131 28.738 0.015 0.000 0.941 341 Q HN 0.620 nan 8.270 nan 0.000 0.464 342 N N 0.033 118.747 118.700 0.024 0.000 2.230 342 N HA 0.228 4.968 4.740 0.001 0.000 0.202 342 N C 0.468 176.005 175.510 0.045 0.000 1.119 342 N CA 0.706 53.780 53.050 0.040 0.000 0.851 342 N CB 1.015 39.526 38.487 0.040 0.000 0.990 342 N HN 0.403 nan 8.380 nan 0.000 0.497 343 A N -0.145 122.690 122.820 0.025 0.000 2.382 343 A HA 0.271 4.591 4.320 0.001 0.000 0.228 343 A C 0.686 178.283 177.584 0.021 0.000 1.217 343 A CA 0.008 52.055 52.037 0.017 0.000 0.923 343 A CB 0.391 19.385 19.000 -0.010 0.000 0.979 343 A HN 0.023 nan 8.150 nan 0.000 0.515 344 V N -4.801 115.126 119.914 0.021 0.000 3.102 344 V HA 1.020 5.140 4.120 0.001 0.000 0.312 344 V C 0.062 176.169 176.094 0.021 0.000 1.135 344 V CA -0.084 62.227 62.300 0.017 0.000 1.022 344 V CB 1.153 32.978 31.823 0.003 0.000 1.056 344 V HN 1.223 nan 8.190 nan 0.000 0.436 345 G N 0.034 108.845 108.800 0.017 0.000 2.455 345 G HA2 0.636 4.597 3.960 0.001 0.000 0.223 345 G HA3 0.636 4.597 3.960 0.001 0.000 0.223 345 G C -0.294 174.612 174.900 0.010 0.000 1.226 345 G CA -0.028 45.080 45.100 0.014 0.000 0.948 345 G HN 1.965 nan 8.290 nan 0.000 0.478 346 A N 0.216 123.040 122.820 0.007 0.000 2.524 346 A HA 0.479 4.800 4.320 0.001 0.000 0.250 346 A C 0.774 178.363 177.584 0.008 0.000 1.078 346 A CA 1.251 53.290 52.037 0.003 0.000 0.761 346 A CB -0.426 18.573 19.000 -0.000 0.000 1.012 346 A HN 1.346 nan 8.150 nan 0.000 0.500 347 D N -1.154 119.250 120.400 0.006 0.000 2.811 347 D HA -0.181 4.460 4.640 0.001 0.000 0.231 347 D C -0.472 175.845 176.300 0.028 0.000 1.157 347 D CA 1.597 55.606 54.000 0.014 0.000 0.716 347 D CB -1.233 39.576 40.800 0.014 0.000 1.077 347 D HN 0.478 nan 8.370 nan 0.000 0.428 348 L N 0.198 121.437 121.223 0.027 0.000 2.470 348 L HA 0.383 4.724 4.340 0.001 0.000 0.268 348 L C -0.957 175.930 176.870 0.028 0.000 0.964 348 L CA -0.168 54.694 54.840 0.036 0.000 0.839 348 L CB 1.935 44.017 42.059 0.039 0.000 1.276 348 L HN -0.006 nan 8.230 nan 0.000 0.403 349 Q N 4.623 124.441 119.800 0.031 0.000 2.615 349 Q HA 0.791 5.131 4.340 0.001 0.000 0.298 349 Q C -1.281 174.724 176.000 0.007 0.000 1.023 349 Q CA -0.931 54.882 55.803 0.017 0.000 0.768 349 Q CB 3.139 31.892 28.738 0.025 0.000 1.500 349 Q HN 0.724 nan 8.270 nan 0.000 0.441 350 I N -2.885 117.673 120.570 -0.020 0.000 3.074 350 I HA 0.739 4.910 4.170 0.001 0.000 0.310 350 I C -1.361 174.708 176.117 -0.080 0.000 1.153 350 I CA -1.212 60.053 61.300 -0.059 0.000 0.993 350 I CB 2.324 40.262 38.000 -0.103 0.000 1.237 350 I HN 0.310 nan 8.210 nan 0.000 0.443 351 R N 3.473 123.889 120.500 -0.140 0.000 2.574 351 R HA 0.665 5.005 4.340 0.001 0.000 0.288 351 R C -1.676 174.379 176.300 -0.408 0.000 1.004 351 R CA -0.729 55.285 56.100 -0.144 0.000 0.895 351 R CB 2.139 32.465 30.300 0.045 0.000 1.191 351 R HN 0.703 nan 8.270 nan 0.000 0.444 352 L N 3.779 124.764 121.223 -0.397 0.000 2.319 352 L HA 0.390 4.731 4.340 0.001 0.000 0.281 352 L C 0.673 177.369 176.870 -0.290 0.000 1.005 352 L CA -0.586 53.885 54.840 -0.615 0.000 0.828 352 L CB 1.013 42.614 42.059 -0.763 0.000 1.227 352 L HN 0.458 nan 8.230 nan 0.000 0.415 353 F N 1.696 121.527 119.950 -0.199 0.000 2.269 353 F HA -0.022 4.505 4.527 0.001 0.000 0.301 353 F C 2.002 177.664 175.800 -0.230 0.000 1.082 353 F CA 0.748 58.648 58.000 -0.167 0.000 1.360 353 F CB -0.751 38.192 39.000 -0.095 0.000 1.041 353 F HN 0.793 nan 8.300 nan 0.000 0.512 354 G N 0.042 108.829 108.800 -0.022 0.000 2.143 354 G HA2 -0.328 3.632 3.960 0.001 0.000 0.249 354 G HA3 -0.328 3.632 3.960 0.001 0.000 0.249 354 G C 0.403 175.323 174.900 0.034 0.000 0.981 354 G CA -0.093 44.938 45.100 -0.115 0.000 0.665 354 G HN 0.361 nan 8.290 nan 0.000 0.528 355 K N 0.868 121.354 120.400 0.143 0.000 2.472 355 K HA 0.206 4.527 4.320 0.001 0.000 0.280 355 K C -0.600 176.113 176.600 0.188 0.000 1.028 355 K CA -0.525 55.881 56.287 0.199 0.000 1.045 355 K CB 1.207 33.819 32.500 0.188 0.000 0.902 355 K HN 0.134 nan 8.250 nan 0.000 0.478 356 P HA -0.185 nan 4.420 nan 0.000 0.222 356 P C -0.421 176.926 177.300 0.079 0.000 1.147 356 P CA 1.416 64.612 63.100 0.161 0.000 0.790 356 P CB 0.234 32.053 31.700 0.198 0.000 0.780 357 E N -1.743 118.477 120.200 0.033 0.000 2.432 357 E HA 0.597 4.948 4.350 0.001 0.000 0.279 357 E C -1.610 174.976 176.600 -0.023 0.000 1.099 357 E CA -1.095 55.303 56.400 -0.003 0.000 0.859 357 E CB 1.010 30.696 29.700 -0.022 0.000 1.402 357 E HN -0.052 nan 8.360 nan 0.000 0.451 358 I N 0.515 121.068 120.570 -0.028 0.000 2.752 358 I HA 0.416 4.587 4.170 0.001 0.000 0.295 358 I C -2.159 173.940 176.117 -0.031 0.000 1.219 358 I CA -0.431 60.853 61.300 -0.027 0.000 1.030 358 I CB 2.298 40.290 38.000 -0.014 0.000 1.259 358 I HN 0.718 nan 8.210 nan 0.000 0.423 359 D N 5.432 125.814 120.400 -0.029 0.000 2.586 359 D HA 0.609 5.250 4.640 0.001 0.000 0.254 359 D C -0.173 176.118 176.300 -0.015 0.000 1.248 359 D CA 0.879 54.865 54.000 -0.024 0.000 0.843 359 D CB 0.734 41.518 40.800 -0.027 0.000 1.332 359 D HN 1.057 nan 8.370 nan 0.000 0.523 360 G N 0.958 109.751 108.800 -0.012 0.000 2.395 360 G HA2 0.060 4.021 3.960 0.001 0.000 0.201 360 G HA3 0.060 4.021 3.960 0.001 0.000 0.201 360 G C -0.723 174.176 174.900 -0.000 0.000 1.206 360 G CA -0.280 44.818 45.100 -0.004 0.000 1.210 360 G HN 0.749 nan 8.290 nan 0.000 0.557 361 S N 0.089 115.794 115.700 0.008 0.000 2.499 361 S HA 0.734 5.205 4.470 0.001 0.000 0.279 361 S C 0.043 174.656 174.600 0.021 0.000 1.219 361 S CA 0.277 58.486 58.200 0.014 0.000 1.062 361 S CB 0.969 64.180 63.200 0.020 0.000 0.978 361 S HN 0.894 nan 8.310 nan 0.000 0.489 362 R N 2.653 123.171 120.500 0.030 0.000 2.594 362 R HA 0.288 4.628 4.340 0.001 0.000 0.265 362 R C -1.193 175.152 176.300 0.075 0.000 1.070 362 R CA -0.701 55.428 56.100 0.048 0.000 0.909 362 R CB 1.245 31.569 30.300 0.040 0.000 1.243 362 R HN 0.738 nan 8.270 nan 0.000 0.455 363 R N 5.143 125.710 120.500 0.112 0.000 2.272 363 R HA 0.166 4.507 4.340 0.001 0.000 0.334 363 R C 0.237 176.683 176.300 0.244 0.000 1.117 363 R CA 0.065 56.260 56.100 0.158 0.000 0.966 363 R CB 0.307 30.733 30.300 0.210 0.000 1.049 363 R HN 0.608 nan 8.270 nan 0.000 0.477 364 L N 2.897 124.183 121.223 0.106 0.000 2.585 364 L HA 0.324 4.664 4.340 0.001 0.000 0.226 364 L C 1.005 177.572 176.870 -0.505 0.000 1.113 364 L CA 0.119 54.993 54.840 0.057 0.000 0.876 364 L CB 0.549 42.717 42.059 0.182 0.000 1.072 364 L HN 0.756 nan 8.230 nan 0.000 0.468 365 G N -0.795 107.523 108.800 -0.803 0.000 2.488 365 G HA2 0.459 4.419 3.960 0.001 0.000 0.301 365 G HA3 0.459 4.419 3.960 0.001 0.000 0.301 365 G C -2.119 172.350 174.900 -0.719 0.000 1.339 365 G CA -0.296 44.004 45.100 -1.334 0.000 0.803 365 G HN -0.295 nan 8.290 nan 0.000 0.482 366 V N -0.817 118.820 119.914 -0.461 0.000 3.048 366 V HA 0.827 4.948 4.120 0.001 0.000 0.303 366 V C -0.638 175.424 176.094 -0.055 0.000 1.214 366 V CA 0.087 62.331 62.300 -0.092 0.000 0.984 366 V CB 1.760 33.685 31.823 0.170 0.000 1.054 366 V HN 2.066 nan 8.190 nan 0.000 0.430 367 A N 6.174 128.996 122.820 0.005 0.000 2.325 367 A HA 0.984 5.304 4.320 0.001 0.000 0.333 367 A C -1.304 176.326 177.584 0.077 0.000 1.155 367 A CA -0.610 51.439 52.037 0.020 0.000 0.814 367 A CB 1.228 20.239 19.000 0.019 0.000 1.206 367 A HN 0.913 nan 8.150 nan 0.000 0.482 368 L N 0.751 122.020 121.223 0.077 0.000 2.401 368 L HA 0.852 5.193 4.340 0.001 0.000 0.266 368 L C 0.016 176.940 176.870 0.090 0.000 0.991 368 L CA -0.476 54.426 54.840 0.104 0.000 0.818 368 L CB 2.271 44.396 42.059 0.109 0.000 1.321 368 L HN 0.894 nan 8.230 nan 0.000 0.413 369 A N 0.721 123.603 122.820 0.103 0.000 2.587 369 A HA 0.922 5.243 4.320 0.001 0.000 0.293 369 A C -0.700 176.939 177.584 0.092 0.000 1.087 369 A CA -0.447 51.642 52.037 0.086 0.000 0.692 369 A CB 2.082 21.131 19.000 0.082 0.000 1.291 369 A HN 0.662 nan 8.150 nan 0.000 0.407 370 T N -1.461 113.136 114.554 0.072 0.000 2.930 370 T HA 0.985 5.335 4.350 0.001 0.000 0.290 370 T C -0.165 174.566 174.700 0.052 0.000 1.052 370 T CA -0.042 62.102 62.100 0.073 0.000 1.017 370 T CB 1.735 70.645 68.868 0.070 0.000 1.137 370 T HN 2.465 nan 8.240 nan 0.000 0.511 371 A N 0.527 123.377 122.820 0.049 0.000 2.467 371 A HA 0.663 4.983 4.320 0.001 0.000 0.301 371 A C 0.135 177.737 177.584 0.030 0.000 1.126 371 A CA -0.657 51.398 52.037 0.031 0.000 0.632 371 A CB 0.328 19.342 19.000 0.023 0.000 1.331 371 A HN 0.654 nan 8.150 nan 0.000 0.482 372 E N 0.280 120.490 120.200 0.017 0.000 2.481 372 E HA 0.096 4.447 4.350 0.001 0.000 0.195 372 E C 0.453 177.060 176.600 0.012 0.000 1.047 372 E CA 1.223 57.632 56.400 0.016 0.000 0.867 372 E CB 0.148 29.852 29.700 0.008 0.000 0.858 372 E HN 0.728 nan 8.360 nan 0.000 0.513 373 S N -1.173 114.531 115.700 0.007 0.000 2.556 373 S HA 0.260 4.730 4.470 0.001 0.000 0.271 373 S C 1.002 175.597 174.600 -0.008 0.000 1.135 373 S CA -0.337 57.859 58.200 -0.007 0.000 0.858 373 S CB 1.771 64.953 63.200 -0.029 0.000 1.114 373 S HN -0.120 nan 8.310 nan 0.000 0.468 374 V N 0.642 120.542 119.914 -0.024 0.000 2.490 374 V HA -0.059 4.062 4.120 0.001 0.000 0.250 374 V C 1.968 177.990 176.094 -0.120 0.000 1.061 374 V CA 1.639 63.916 62.300 -0.038 0.000 1.064 374 V CB -1.524 30.264 31.823 -0.058 0.000 0.670 374 V HN 0.705 nan 8.190 nan 0.000 0.461 375 V N 1.364 121.186 119.914 -0.153 0.000 2.255 375 V HA -0.272 3.849 4.120 0.001 0.000 0.247 375 V C 2.605 178.650 176.094 -0.082 0.000 1.051 375 V CA 2.715 64.924 62.300 -0.151 0.000 1.018 375 V CB -0.927 30.820 31.823 -0.126 0.000 0.641 375 V HN 0.545 nan 8.190 nan 0.000 0.445 376 D N 0.082 120.452 120.400 -0.049 0.000 2.144 376 D HA -0.083 4.558 4.640 0.001 0.000 0.200 376 D C 2.185 178.485 176.300 -0.000 0.000 0.978 376 D CA 1.516 55.502 54.000 -0.025 0.000 0.833 376 D CB -0.352 40.438 40.800 -0.016 0.000 0.961 376 D HN 0.450 nan 8.370 nan 0.000 0.470 377 A N 0.774 123.604 122.820 0.016 0.000 1.902 377 A HA -0.129 4.191 4.320 0.001 0.000 0.217 377 A C 2.357 179.985 177.584 0.074 0.000 1.181 377 A CA 0.838 52.909 52.037 0.056 0.000 0.623 377 A CB -0.709 18.344 19.000 0.088 0.000 0.818 377 A HN 0.177 nan 8.150 nan 0.000 0.443 378 I N -0.457 120.146 120.570 0.055 0.000 2.163 378 I HA -0.287 3.883 4.170 0.001 0.000 0.243 378 I C 2.590 178.743 176.117 0.060 0.000 1.085 378 I CA 1.960 63.302 61.300 0.070 0.000 1.347 378 I CB -0.346 37.641 38.000 -0.021 0.000 1.044 378 I HN 0.454 nan 8.210 nan 0.000 0.408 379 E N 1.438 121.654 120.200 0.025 0.000 2.077 379 E HA -0.269 4.082 4.350 0.001 0.000 0.193 379 E C 2.214 178.859 176.600 0.075 0.000 0.989 379 E CA 1.549 57.972 56.400 0.038 0.000 0.800 379 E CB -0.220 29.482 29.700 0.004 0.000 0.746 379 E HN 0.250 nan 8.360 nan 0.000 0.452 380 R N -0.369 120.166 120.500 0.058 0.000 2.081 380 R HA -0.061 4.280 4.340 0.001 0.000 0.235 380 R C 2.210 178.578 176.300 0.114 0.000 1.131 380 R CA 1.468 57.612 56.100 0.074 0.000 0.960 380 R CB -0.434 29.893 30.300 0.044 0.000 0.856 380 R HN 0.258 nan 8.270 nan 0.000 0.436 381 A N 1.146 124.028 122.820 0.102 0.000 1.873 381 A HA -0.162 4.159 4.320 0.001 0.000 0.215 381 A C 1.946 179.584 177.584 0.091 0.000 1.186 381 A CA 1.626 53.724 52.037 0.102 0.000 0.616 381 A CB -0.350 18.723 19.000 0.121 0.000 0.823 381 A HN 0.343 nan 8.150 nan 0.000 0.442 382 K N -1.139 119.319 120.400 0.096 0.000 2.063 382 K HA -0.198 4.123 4.320 0.001 0.000 0.208 382 K C 2.172 178.806 176.600 0.056 0.000 1.048 382 K CA 1.402 57.732 56.287 0.071 0.000 0.928 382 K CB -0.436 32.108 32.500 0.074 0.000 0.713 382 K HN 0.703 nan 8.250 nan 0.000 0.442 383 H N 0.856 119.936 119.070 0.018 0.000 2.321 383 H HA -0.085 4.471 4.556 0.001 0.000 0.300 383 H C 1.905 177.239 175.328 0.010 0.000 1.087 383 H CA 1.823 57.878 56.048 0.011 0.000 1.319 383 H CB 0.100 29.867 29.762 0.009 0.000 1.379 383 H HN 0.211 nan 8.280 nan 0.000 0.501 384 A N 1.310 124.163 122.820 0.056 0.000 1.877 384 A HA -0.096 4.225 4.320 0.001 0.000 0.216 384 A C 2.759 180.308 177.584 -0.059 0.000 1.186 384 A CA 1.981 54.023 52.037 0.009 0.000 0.620 384 A CB -1.199 17.839 19.000 0.063 0.000 0.822 384 A HN 0.579 nan 8.150 nan 0.000 0.443 385 A N -0.536 122.262 122.820 -0.037 0.000 1.940 385 A HA 0.046 4.367 4.320 0.001 0.000 0.219 385 A C 2.378 179.921 177.584 -0.068 0.000 1.176 385 A CA 2.059 54.068 52.037 -0.047 0.000 0.631 385 A CB -1.366 17.616 19.000 -0.031 0.000 0.814 385 A HN 0.789 nan 8.150 nan 0.000 0.446 386 G N -1.553 107.181 108.800 -0.110 0.000 2.422 386 G HA2 -0.166 3.795 3.960 0.001 0.000 0.218 386 G HA3 -0.166 3.795 3.960 0.001 0.000 0.218 386 G C 1.502 176.313 174.900 -0.149 0.000 1.140 386 G CA 0.812 45.832 45.100 -0.133 0.000 0.775 386 G HN 0.456 nan 8.290 nan 0.000 0.545 387 Q N 0.122 119.801 119.800 -0.202 0.000 2.224 387 Q HA 0.015 4.355 4.340 0.001 0.000 0.203 387 Q C 1.231 177.195 176.000 -0.061 0.000 0.970 387 Q CA 0.184 55.897 55.803 -0.150 0.000 0.865 387 Q CB -0.410 28.237 28.738 -0.153 0.000 0.922 387 Q HN 0.334 nan 8.270 nan 0.000 0.445 388 V N 2.648 122.540 119.914 -0.037 0.000 2.485 388 V HA -0.012 4.109 4.120 0.001 0.000 0.287 388 V C 0.711 176.817 176.094 0.021 0.000 1.022 388 V CA 0.181 62.494 62.300 0.021 0.000 1.067 388 V CB 0.328 32.185 31.823 0.058 0.000 0.967 388 V HN 0.036 nan 8.190 nan 0.000 0.479 389 K N 4.841 125.254 120.400 0.021 0.000 2.231 389 K HA 0.351 4.672 4.320 0.001 0.000 0.275 389 K C -0.811 175.765 176.600 -0.040 0.000 1.105 389 K CA -0.368 55.913 56.287 -0.011 0.000 0.931 389 K CB 0.797 33.289 32.500 -0.014 0.000 1.296 389 K HN 0.580 nan 8.250 nan 0.000 0.446 390 V N 4.781 124.656 119.914 -0.065 0.000 2.432 390 V HA 0.158 4.279 4.120 0.001 0.000 0.271 390 V C 0.050 176.029 176.094 -0.192 0.000 1.046 390 V CA -0.260 61.926 62.300 -0.190 0.000 0.945 390 V CB 1.073 32.815 31.823 -0.136 0.000 0.992 390 V HN 0.738 nan 8.190 nan 0.000 0.471 391 Q N 2.192 121.836 119.800 -0.260 0.000 2.451 391 Q HA 0.819 5.160 4.340 0.001 0.000 0.281 391 Q C -0.045 175.839 176.000 -0.193 0.000 1.099 391 Q CA -0.590 55.107 55.803 -0.177 0.000 0.806 391 Q CB 2.873 31.534 28.738 -0.128 0.000 1.419 391 Q HN 0.903 nan 8.270 nan 0.000 0.427 392 G N 0.000 108.723 108.800 -0.128 0.000 5.446 392 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 392 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 392 G CA 0.000 45.033 45.100 -0.111 0.000 0.502 392 G HN 0.000 nan 8.290 nan 0.000 0.925