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 2c0b_1_L DATA FIRST_RESID -6 DATA SEQUENCE AHIEGRHMKR MLINATQQEE LRVALVDGQR LYDLDIESPX XEQKKANIYK DATA SEQUENCE GKITRIEXXX XAAFVDYGAE RHGFLPLKEI AREYFPXXXX XXXRPNIKDV DATA SEQUENCE LREGQEVIVQ IDKEERGNKG AALTTFISLA GSYLVLMPNN PRAGGISRRI DATA SEQUENCE XXXXXXELKE ALASLELPXX XXLIVRTAGV GKSAEALQWD LSFRLKHWEA DATA SEQUENCE IKKAAESRPA PFLIHQESNV IVRAFRDYLR QDIGEILIDN PKVLELARQH DATA SEQUENCE IAALGRPDFS SKIKLYTGEI PLFSHYQIES QIESAFQREV RLPSGGSIVI DATA SEQUENCE DSTEALTAID INSARXXXXX DIEETAFNTN LEAADEIARQ LRLRDLGGLI DATA SEQUENCE VIDFIDMTPV RHQRAVENRL REAVRQDRAR IQISHISRFG LLEMSRQRLS DATA SEQUENCE PSLGESSHHV CPRCSGTGTV RDNESLSLSI LRLIEEEALK ENTQEVHAIV DATA SEQUENCE PVPIASYLLN EKRSAVNAIE TRQDGVRCVI VPNDQMETPH YHVLRVRKGE DATA SEQUENCE ETPTLSYMLP KLHEEA 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 -6 A HA 0.000 nan 4.320 nan 0.000 0.244 -6 A C 0.000 177.622 177.584 0.064 0.000 1.274 -6 A CA 0.000 52.069 52.037 0.053 0.000 0.836 -6 A CB 0.000 19.022 19.000 0.036 0.000 0.831 -5 H N 1.376 120.456 119.070 0.017 0.000 3.082 -5 H HA 0.415 4.971 4.556 -0.000 0.000 0.275 -5 H C -0.971 174.354 175.328 -0.005 0.000 1.032 -5 H CA 0.889 56.950 56.048 0.022 0.000 1.477 -5 H CB 0.138 29.912 29.762 0.021 0.000 1.520 -5 H HN 0.395 nan 8.280 nan 0.000 0.521 -4 I N 5.045 125.334 120.570 -0.468 0.000 2.389 -4 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 -4 I C 0.488 176.290 176.117 -0.525 0.000 0.999 -4 I CA -0.718 60.375 61.300 -0.345 0.000 1.129 -4 I CB 1.712 39.593 38.000 -0.199 0.000 1.288 -4 I HN 0.586 nan 8.210 nan 0.000 0.444 -3 E N 4.644 124.666 120.200 -0.297 0.000 2.437 -3 E HA 0.251 4.601 4.350 -0.000 0.000 0.263 -3 E C 1.221 177.726 176.600 -0.158 0.000 1.030 -3 E CA 1.236 57.532 56.400 -0.173 0.000 0.934 -3 E CB 0.448 30.136 29.700 -0.022 0.000 0.943 -3 E HN 0.836 nan 8.360 nan 0.000 0.444 -2 G N 4.057 112.788 108.800 -0.115 0.000 2.358 -2 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.224 -2 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.224 -2 G C 1.121 175.951 174.900 -0.117 0.000 1.073 -2 G CA 0.657 45.705 45.100 -0.087 0.000 0.635 -2 G HN 0.689 nan 8.290 nan 0.000 0.509 -1 R N 1.155 121.530 120.500 -0.209 0.000 2.122 -1 R HA -0.054 4.286 4.340 -0.000 0.000 0.236 -1 R C 1.275 177.396 176.300 -0.298 0.000 1.129 -1 R CA 2.183 58.092 56.100 -0.318 0.000 0.925 -1 R CB -0.542 29.458 30.300 -0.501 0.000 0.850 -1 R HN 0.664 nan 8.270 nan 0.000 0.431 0 H N -1.158 117.885 119.070 -0.046 0.000 2.559 0 H HA 0.303 4.859 4.556 -0.000 0.000 0.343 0 H C -0.214 175.124 175.328 0.017 0.000 1.209 0 H CA -1.042 55.006 56.048 -0.000 0.000 1.287 0 H CB 0.982 30.756 29.762 0.020 0.000 1.650 0 H HN 0.051 nan 8.280 nan 0.000 0.567 1 M N 1.024 120.740 119.600 0.194 0.000 2.232 1 M HA 0.096 4.576 4.480 -0.000 0.000 0.321 1 M C -0.441 175.924 176.300 0.108 0.000 1.101 1 M CA 0.601 55.970 55.300 0.115 0.000 1.181 1 M CB 0.486 33.142 32.600 0.094 0.000 1.432 1 M HN 0.410 nan 8.290 nan 0.000 0.457 2 K N 3.218 123.678 120.400 0.100 0.000 2.367 2 K HA 0.419 4.739 4.320 -0.000 0.000 0.263 2 K C -1.028 175.611 176.600 0.065 0.000 1.000 2 K CA -0.460 55.902 56.287 0.126 0.000 0.891 2 K CB 1.409 34.018 32.500 0.182 0.000 1.117 2 K HN 0.603 nan 8.250 nan 0.000 0.443 3 R N 2.147 122.629 120.500 -0.030 0.000 2.668 3 R HA 0.404 4.744 4.340 -0.000 0.000 0.279 3 R C -0.236 176.000 176.300 -0.105 0.000 0.976 3 R CA -0.878 55.175 56.100 -0.078 0.000 0.978 3 R CB 1.733 31.907 30.300 -0.210 0.000 1.133 3 R HN 0.457 nan 8.270 nan 0.000 0.484 4 M N 3.857 123.426 119.600 -0.052 0.000 2.063 4 M HA 0.288 4.768 4.480 -0.000 0.000 0.348 4 M C -1.340 174.922 176.300 -0.063 0.000 1.180 4 M CA -0.409 54.849 55.300 -0.070 0.000 1.059 4 M CB 0.518 33.129 32.600 0.018 0.000 1.544 4 M HN 0.448 nan 8.290 nan 0.000 0.447 5 L N 7.104 128.244 121.223 -0.137 0.000 2.260 5 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 5 L C -0.537 176.419 176.870 0.144 0.000 1.057 5 L CA -0.350 54.472 54.840 -0.029 0.000 0.811 5 L CB 0.502 42.459 42.059 -0.169 0.000 1.184 5 L HN 0.748 nan 8.230 nan 0.000 0.429 6 I N 3.979 124.649 120.570 0.167 0.000 2.330 6 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 6 I C 0.063 176.252 176.117 0.120 0.000 1.001 6 I CA -0.165 61.220 61.300 0.141 0.000 1.193 6 I CB 1.488 39.524 38.000 0.060 0.000 1.345 6 I HN 0.676 nan 8.210 nan 0.000 0.461 7 N N 5.659 124.365 118.700 0.009 0.000 2.501 7 N HA 0.533 5.273 4.740 -0.000 0.000 0.245 7 N C -0.257 175.136 175.510 -0.195 0.000 0.974 7 N CA -0.242 52.654 53.050 -0.256 0.000 0.941 7 N CB 1.221 39.110 38.487 -0.997 0.000 1.122 7 N HN 0.745 nan 8.380 nan 0.000 0.507 8 A N 2.702 125.459 122.820 -0.105 0.000 2.610 8 A HA 0.114 4.434 4.320 -0.000 0.000 0.290 8 A C 0.991 178.543 177.584 -0.054 0.000 1.001 8 A CA -0.362 51.632 52.037 -0.072 0.000 1.004 8 A CB -0.348 18.631 19.000 -0.035 0.000 1.220 8 A HN 0.708 nan 8.150 nan 0.000 0.507 9 T N -3.119 111.393 114.554 -0.071 0.000 3.169 9 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 9 T C 0.321 174.989 174.700 -0.053 0.000 1.111 9 T CA 0.298 62.370 62.100 -0.046 0.000 1.010 9 T CB -0.081 68.766 68.868 -0.034 0.000 0.984 9 T HN 0.173 nan 8.240 nan 0.000 0.537 10 Q N 0.998 120.758 119.800 -0.068 0.000 2.320 10 Q HA 0.471 4.811 4.340 -0.000 0.000 0.268 10 Q C 0.460 176.430 176.000 -0.050 0.000 1.023 10 Q CA -0.429 55.339 55.803 -0.059 0.000 0.744 10 Q CB 1.971 30.664 28.738 -0.075 0.000 1.246 10 Q HN 0.177 nan 8.270 nan 0.000 0.462 11 Q N 1.074 120.852 119.800 -0.037 0.000 2.152 11 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 11 Q C 0.858 176.839 176.000 -0.031 0.000 0.985 11 Q CA 1.895 57.680 55.803 -0.030 0.000 0.863 11 Q CB 0.149 28.873 28.738 -0.022 0.000 0.904 11 Q HN 0.643 nan 8.270 nan 0.000 0.422 12 E N 0.339 120.519 120.200 -0.034 0.000 2.489 12 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 12 E C -0.195 176.387 176.600 -0.031 0.000 1.057 12 E CA 0.287 56.669 56.400 -0.030 0.000 0.866 12 E CB 0.353 30.036 29.700 -0.027 0.000 0.916 12 E HN 0.374 nan 8.360 nan 0.000 0.500 13 E N 0.846 121.021 120.200 -0.041 0.000 2.551 13 E HA 0.178 4.528 4.350 -0.000 0.000 0.321 13 E C -1.759 174.805 176.600 -0.061 0.000 0.975 13 E CA -0.459 55.917 56.400 -0.041 0.000 0.784 13 E CB 1.166 30.843 29.700 -0.039 0.000 1.493 13 E HN -0.026 nan 8.360 nan 0.000 0.385 14 L N 3.741 124.931 121.223 -0.056 0.000 2.331 14 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 14 L C -0.679 176.155 176.870 -0.061 0.000 1.106 14 L CA 0.266 55.065 54.840 -0.069 0.000 0.824 14 L CB 0.469 42.489 42.059 -0.065 0.000 1.142 14 L HN 0.422 nan 8.230 nan 0.000 0.443 15 R N 4.430 124.888 120.500 -0.069 0.000 2.513 15 R HA 0.640 4.980 4.340 -0.000 0.000 0.301 15 R C -1.557 174.833 176.300 0.150 0.000 0.968 15 R CA -0.856 55.256 56.100 0.021 0.000 0.872 15 R CB 2.002 32.292 30.300 -0.018 0.000 1.177 15 R HN 0.422 nan 8.270 nan 0.000 0.444 16 V N 1.854 121.819 119.914 0.086 0.000 2.378 16 V HA 0.599 4.719 4.120 -0.000 0.000 0.288 16 V C -0.071 175.967 176.094 -0.094 0.000 1.016 16 V CA -0.904 61.405 62.300 0.014 0.000 0.840 16 V CB 1.411 33.151 31.823 -0.138 0.000 0.994 16 V HN 0.889 nan 8.190 nan 0.000 0.431 17 A N 5.770 128.481 122.820 -0.181 0.000 2.317 17 A HA 0.882 5.202 4.320 -0.000 0.000 0.327 17 A C -0.683 176.653 177.584 -0.413 0.000 1.178 17 A CA -0.611 51.178 52.037 -0.413 0.000 0.817 17 A CB 0.962 19.486 19.000 -0.793 0.000 1.189 17 A HN 0.827 nan 8.150 nan 0.000 0.489 18 L N 2.891 123.801 121.223 -0.522 0.000 2.282 18 L HA 0.548 4.888 4.340 -0.000 0.000 0.288 18 L C -0.846 175.578 176.870 -0.743 0.000 1.033 18 L CA -0.632 53.818 54.840 -0.650 0.000 0.807 18 L CB 1.443 42.926 42.059 -0.960 0.000 1.209 18 L HN 0.454 nan 8.230 nan 0.000 0.423 19 V N 1.929 121.601 119.914 -0.403 0.000 2.735 19 V HA 0.352 4.472 4.120 -0.000 0.000 0.310 19 V C -0.606 175.544 176.094 0.093 0.000 1.061 19 V CA -0.742 61.439 62.300 -0.198 0.000 0.913 19 V CB 2.480 34.135 31.823 -0.279 0.000 1.005 19 V HN 0.672 nan 8.190 nan 0.000 0.428 20 D N 2.667 123.230 120.400 0.272 0.000 2.453 20 D HA 0.518 5.158 4.640 -0.000 0.000 0.238 20 D C 0.658 177.049 176.300 0.151 0.000 1.088 20 D CA 0.940 55.096 54.000 0.259 0.000 0.854 20 D CB 1.563 42.543 40.800 0.301 0.000 1.076 20 D HN 0.893 nan 8.370 nan 0.000 0.533 21 G N 4.782 113.619 108.800 0.061 0.000 2.543 21 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.286 21 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.286 21 G C 0.415 175.281 174.900 -0.056 0.000 1.153 21 G CA 0.234 45.273 45.100 -0.103 0.000 0.968 21 G HN 0.573 nan 8.290 nan 0.000 0.544 22 Q N 0.411 120.172 119.800 -0.064 0.000 2.201 22 Q HA 0.340 4.680 4.340 -0.000 0.000 0.236 22 Q C 0.814 176.811 176.000 -0.005 0.000 0.857 22 Q CA -0.169 55.628 55.803 -0.010 0.000 1.025 22 Q CB 0.732 29.461 28.738 -0.015 0.000 1.124 22 Q HN 0.377 nan 8.270 nan 0.000 0.473 23 R N 1.682 122.198 120.500 0.026 0.000 2.215 23 R HA 0.237 4.577 4.340 -0.000 0.000 0.336 23 R C -0.947 175.374 176.300 0.035 0.000 0.996 23 R CA -0.705 55.416 56.100 0.033 0.000 0.847 23 R CB 0.701 31.032 30.300 0.052 0.000 1.127 23 R HN 0.112 nan 8.270 nan 0.000 0.465 24 L N 5.832 127.036 121.223 -0.031 0.000 2.410 24 L HA 0.084 4.424 4.340 -0.000 0.000 0.273 24 L C -0.392 176.466 176.870 -0.019 0.000 1.152 24 L CA 0.471 55.248 54.840 -0.105 0.000 0.855 24 L CB 0.459 42.438 42.059 -0.134 0.000 1.129 24 L HN 0.714 nan 8.230 nan 0.000 0.463 25 Y N 1.442 121.678 120.300 -0.107 0.000 2.672 25 Y HA 0.564 5.114 4.550 0.000 0.000 0.252 25 Y C -0.509 175.349 175.900 -0.070 0.000 1.132 25 Y CA -0.804 57.244 58.100 -0.088 0.000 1.228 25 Y CB 0.114 38.525 38.460 -0.080 0.000 1.310 25 Y HN 0.616 nan 8.280 nan 0.000 0.549 26 D N 0.753 120.927 120.400 -0.377 0.000 2.751 26 D HA 0.318 4.958 4.640 -0.000 0.000 0.236 26 D C -2.402 173.718 176.300 -0.299 0.000 1.196 26 D CA -0.224 53.621 54.000 -0.257 0.000 0.741 26 D CB 2.308 42.992 40.800 -0.195 0.000 1.474 26 D HN 0.187 nan 8.370 nan 0.000 0.452 27 L N 2.478 123.576 121.223 -0.208 0.000 2.422 27 L HA 0.656 4.996 4.340 -0.000 0.000 0.264 27 L C -1.722 175.056 176.870 -0.153 0.000 0.984 27 L CA -0.307 54.429 54.840 -0.173 0.000 0.819 27 L CB 1.914 43.913 42.059 -0.100 0.000 1.330 27 L HN 0.345 nan 8.230 nan 0.000 0.410 28 D N 4.192 124.510 120.400 -0.136 0.000 2.936 28 D HA 0.480 5.120 4.640 -0.000 0.000 0.238 28 D C -1.248 175.015 176.300 -0.062 0.000 1.248 28 D CA -0.078 53.847 54.000 -0.125 0.000 0.903 28 D CB 1.883 42.556 40.800 -0.212 0.000 1.544 28 D HN 0.495 nan 8.370 nan 0.000 0.543 29 I N 1.854 122.403 120.570 -0.035 0.000 2.493 29 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 29 I C 0.069 176.170 176.117 -0.026 0.000 0.998 29 I CA -0.685 60.609 61.300 -0.010 0.000 1.137 29 I CB 2.235 40.253 38.000 0.030 0.000 1.310 29 I HN 0.180 nan 8.210 nan 0.000 0.445 30 E N 3.314 123.495 120.200 -0.032 0.000 2.275 30 E HA 0.480 4.830 4.350 -0.000 0.000 0.270 30 E C -1.654 174.930 176.600 -0.027 0.000 0.882 30 E CA -0.410 55.970 56.400 -0.034 0.000 0.758 30 E CB 2.232 31.899 29.700 -0.054 0.000 1.195 30 E HN 0.495 nan 8.360 nan 0.000 0.419 31 S N 3.509 119.199 115.700 -0.017 0.000 2.502 31 S HA 0.474 4.944 4.470 -0.000 0.000 0.304 31 S C -2.214 172.378 174.600 -0.013 0.000 1.097 31 S CA -1.090 57.102 58.200 -0.014 0.000 1.045 31 S CB 1.436 64.633 63.200 -0.005 0.000 1.019 31 S HN 0.469 nan 8.310 nan 0.000 0.481 36 Q N -0.653 119.147 119.800 0.000 0.000 2.352 36 Q HA 0.531 4.871 4.340 -0.000 0.000 0.260 36 Q C 0.691 176.705 176.000 0.023 0.000 0.976 36 Q CA 1.419 57.226 55.803 0.006 0.000 0.881 36 Q CB 0.864 29.596 28.738 -0.009 0.000 1.235 36 Q HN 1.826 nan 8.270 nan 0.000 0.419 37 K N 2.421 122.848 120.400 0.045 0.000 2.440 37 K HA 0.252 4.572 4.320 -0.000 0.000 0.207 37 K C 0.851 177.508 176.600 0.095 0.000 1.112 37 K CA 0.606 56.948 56.287 0.091 0.000 1.036 37 K CB 0.168 32.743 32.500 0.125 0.000 0.935 37 K HN 0.761 nan 8.250 nan 0.000 0.564 38 K N 0.570 121.000 120.400 0.051 0.000 2.412 38 K HA 0.359 4.679 4.320 -0.000 0.000 0.281 38 K C 0.687 177.310 176.600 0.039 0.000 1.027 38 K CA 0.913 57.223 56.287 0.038 0.000 0.989 38 K CB 0.337 32.846 32.500 0.014 0.000 0.935 38 K HN 0.814 nan 8.250 nan 0.000 0.475 39 A N 2.292 125.143 122.820 0.052 0.000 3.410 39 A HA -0.176 4.144 4.320 -0.000 0.000 0.253 39 A C -0.251 177.381 177.584 0.079 0.000 1.178 39 A CA 0.641 52.711 52.037 0.054 0.000 1.334 39 A CB -2.103 16.914 19.000 0.029 0.000 1.097 39 A HN 0.844 nan 8.150 nan 0.000 0.921 40 N N 0.014 118.772 118.700 0.098 0.000 2.441 40 N HA 0.503 5.243 4.740 -0.000 0.000 0.251 40 N C -0.012 175.610 175.510 0.186 0.000 1.242 40 N CA 0.674 53.770 53.050 0.077 0.000 0.898 40 N CB 0.341 38.927 38.487 0.165 0.000 1.100 40 N HN 0.618 nan 8.380 nan 0.000 0.443 41 I N 1.644 122.237 120.570 0.038 0.000 2.562 41 I HA 0.365 4.535 4.170 -0.000 0.000 0.301 41 I C -0.870 175.212 176.117 -0.058 0.000 1.003 41 I CA -0.708 60.683 61.300 0.152 0.000 1.127 41 I CB 1.057 39.183 38.000 0.210 0.000 1.304 41 I HN 0.321 nan 8.210 nan 0.000 0.446 42 Y N 2.409 122.802 120.300 0.156 0.000 2.562 42 Y HA 0.503 5.053 4.550 -0.000 0.000 0.345 42 Y C 0.296 176.280 175.900 0.140 0.000 1.045 42 Y CA -1.093 57.105 58.100 0.164 0.000 1.028 42 Y CB 1.269 39.868 38.460 0.233 0.000 1.297 42 Y HN 0.475 nan 8.280 nan 0.000 0.463 43 K N 0.854 121.417 120.400 0.271 0.000 2.339 43 K HA 0.679 4.999 4.320 -0.000 0.000 0.286 43 K C 0.127 176.854 176.600 0.211 0.000 1.050 43 K CA -0.021 56.382 56.287 0.193 0.000 0.956 43 K CB 0.047 nan 32.500 nan 0.000 0.990 43 K HN 1.035 nan 8.250 nan 0.000 0.475 44 G N 0.403 109.301 108.800 0.164 0.000 2.609 44 G HA2 0.584 4.544 3.960 -0.000 0.000 0.308 44 G HA3 0.584 4.544 3.960 -0.000 0.000 0.308 44 G C -0.436 174.522 174.900 0.097 0.000 1.369 44 G CA -0.189 44.998 45.100 0.145 0.000 0.958 44 G HN 0.911 nan 8.290 nan 0.000 0.499 45 K N 0.410 120.862 120.400 0.086 0.000 2.240 45 K HA 0.815 5.135 4.320 -0.000 0.000 0.271 45 K C 0.419 177.047 176.600 0.046 0.000 1.018 45 K CA -0.131 56.191 56.287 0.058 0.000 0.874 45 K CB 0.656 33.186 32.500 0.050 0.000 1.098 45 K HN 1.855 nan 8.250 nan 0.000 0.458 46 I N 2.403 122.992 120.570 0.031 0.000 2.668 46 I HA 0.213 4.383 4.170 -0.000 0.000 0.285 46 I C 1.337 177.460 176.117 0.010 0.000 1.168 46 I CA 0.632 61.941 61.300 0.014 0.000 1.424 46 I CB -0.532 37.470 38.000 0.003 0.000 1.377 46 I HN 0.844 nan 8.210 nan 0.000 0.560 47 T N 3.342 117.899 114.554 0.005 0.000 2.755 47 T HA 0.175 4.525 4.350 -0.000 0.000 0.251 47 T C 0.949 175.644 174.700 -0.009 0.000 1.044 47 T CA 1.665 63.766 62.100 0.003 0.000 1.154 47 T CB -0.066 68.806 68.868 0.007 0.000 0.866 47 T HN 1.241 nan 8.240 nan 0.000 0.416 48 R N -0.046 120.440 120.500 -0.023 0.000 3.107 48 R HA 0.705 5.045 4.340 -0.000 0.000 0.251 48 R C -0.531 175.741 176.300 -0.047 0.000 1.818 48 R CA -0.672 55.410 56.100 -0.029 0.000 1.228 48 R CB -1.608 28.678 30.300 -0.023 0.000 1.459 48 R HN 0.473 nan 8.270 nan 0.000 0.520 49 I N -0.340 120.202 120.570 -0.046 0.000 2.845 49 I HA 0.637 4.807 4.170 -0.000 0.000 0.296 49 I C 0.916 177.001 176.117 -0.053 0.000 1.216 49 I CA 0.850 62.115 61.300 -0.058 0.000 1.438 49 I CB -0.672 37.303 38.000 -0.043 0.000 1.342 49 I HN 1.426 nan 8.210 nan 0.000 0.577 56 A N -0.625 122.033 122.820 -0.269 0.000 2.532 56 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 56 A C -0.397 177.031 177.584 -0.260 0.000 1.143 56 A CA -0.501 51.394 52.037 -0.238 0.000 0.728 56 A CB 0.621 19.547 19.000 -0.123 0.000 1.317 56 A HN 1.719 nan 8.150 nan 0.000 0.414 57 F N -0.836 119.007 119.950 -0.177 0.000 2.375 57 F HA 0.621 5.148 4.527 -0.000 0.000 0.313 57 F C 0.569 176.349 175.800 -0.034 0.000 1.176 57 F CA -0.581 57.359 58.000 -0.100 0.000 1.142 57 F CB 1.520 40.487 39.000 -0.055 0.000 1.275 57 F HN 0.619 nan 8.300 nan 0.000 0.544 58 V N -0.345 119.580 119.914 0.018 0.000 3.087 58 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 58 V C -1.365 174.806 176.094 0.129 0.000 1.187 58 V CA -0.944 61.390 62.300 0.057 0.000 0.999 58 V CB 2.241 34.087 31.823 0.039 0.000 1.049 58 V HN 0.801 nan 8.190 nan 0.000 0.431 59 D N 1.461 121.933 120.400 0.120 0.000 2.460 59 D HA 0.322 4.962 4.640 -0.000 0.000 0.232 59 D C 0.012 176.407 176.300 0.159 0.000 1.079 59 D CA -0.345 53.724 54.000 0.115 0.000 0.864 59 D CB 0.892 41.719 40.800 0.046 0.000 1.048 59 D HN 0.633 nan 8.370 nan 0.000 0.523 60 Y N 1.711 121.967 120.300 -0.072 0.000 2.485 60 Y HA 0.479 5.029 4.550 0.000 0.000 0.260 60 Y C 1.328 177.201 175.900 -0.045 0.000 1.173 60 Y CA -0.184 57.857 58.100 -0.097 0.000 1.252 60 Y CB 0.656 38.894 38.460 -0.370 0.000 1.123 60 Y HN 0.368 nan 8.280 nan 0.000 0.524 61 G N 0.376 108.991 108.800 -0.308 0.000 2.253 61 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.209 61 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.209 61 G C 0.405 175.104 174.900 -0.335 0.000 0.997 61 G CA -0.392 44.574 45.100 -0.224 0.000 0.640 61 G HN 0.819 nan 8.290 nan 0.000 0.496 62 A N 0.435 122.844 122.820 -0.684 0.000 2.351 62 A HA 0.708 5.028 4.320 -0.000 0.000 0.257 62 A C 1.506 178.942 177.584 -0.246 0.000 1.087 62 A CA 1.537 53.280 52.037 -0.490 0.000 0.798 62 A CB 0.157 18.745 19.000 -0.686 0.000 1.033 62 A HN 1.658 nan 8.150 nan 0.000 0.488 63 E N 0.575 120.692 120.200 -0.138 0.000 2.301 63 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 63 E C 1.080 177.650 176.600 -0.051 0.000 1.017 63 E CA 2.047 58.403 56.400 -0.072 0.000 0.831 63 E CB -0.244 29.430 29.700 -0.043 0.000 0.742 63 E HN 0.710 nan 8.360 nan 0.000 0.491 64 R N -1.749 118.720 120.500 -0.051 0.000 2.628 64 R HA 0.511 4.851 4.340 -0.000 0.000 0.288 64 R C 0.008 176.344 176.300 0.060 0.000 0.980 64 R CA 0.121 56.227 56.100 0.010 0.000 0.891 64 R CB 1.184 31.506 30.300 0.036 0.000 1.188 64 R HN 0.532 nan 8.270 nan 0.000 0.450 65 H N 0.510 119.631 119.070 0.084 0.000 2.671 65 H HA 0.478 5.034 4.556 -0.000 0.000 0.372 65 H C 0.319 175.776 175.328 0.216 0.000 1.227 65 H CA 0.035 56.175 56.048 0.154 0.000 1.426 65 H CB 0.836 30.650 29.762 0.086 0.000 1.480 65 H HN 0.808 nan 8.280 nan 0.000 0.611 66 G N -1.083 107.843 108.800 0.211 0.000 2.509 66 G HA2 0.470 4.430 3.960 -0.000 0.000 0.328 66 G HA3 0.470 4.430 3.960 -0.000 0.000 0.328 66 G C -0.935 174.017 174.900 0.087 0.000 1.194 66 G CA -0.474 44.663 45.100 0.061 0.000 0.967 66 G HN 0.914 nan 8.290 nan 0.000 0.488 67 F N 0.721 120.624 119.950 -0.078 0.000 2.420 67 F HA 0.729 5.256 4.527 0.000 0.000 0.342 67 F C -0.717 175.045 175.800 -0.064 0.000 1.113 67 F CA -1.148 56.821 58.000 -0.052 0.000 1.059 67 F CB 1.323 40.300 39.000 -0.038 0.000 1.128 67 F HN 0.269 nan 8.300 nan 0.000 0.475 68 L N 8.958 130.192 121.223 0.019 0.000 2.406 68 L HA 0.547 4.887 4.340 -0.000 0.000 0.272 68 L C -2.541 174.322 176.870 -0.011 0.000 0.980 68 L CA -2.190 52.711 54.840 0.102 0.000 0.831 68 L CB 2.521 44.575 42.059 -0.008 0.000 1.253 68 L HN 0.458 nan 8.230 nan 0.000 0.406 69 P HA 0.172 nan 4.420 nan 0.000 0.288 69 P C 0.914 178.261 177.300 0.079 0.000 1.267 69 P CA -0.384 62.858 63.100 0.237 0.000 0.815 69 P CB 1.567 33.451 31.700 0.306 0.000 0.989 70 L N 3.559 124.804 121.223 0.037 0.000 2.013 70 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 70 L C 2.863 179.753 176.870 0.033 0.000 1.073 70 L CA 3.683 58.535 54.840 0.019 0.000 0.753 70 L CB -2.800 39.266 42.059 0.011 0.000 0.890 70 L HN 0.543 nan 8.230 nan 0.000 0.432 71 K N 0.044 120.472 120.400 0.047 0.000 2.228 71 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 71 K C 1.986 178.608 176.600 0.036 0.000 1.045 71 K CA 2.655 58.965 56.287 0.039 0.000 0.931 71 K CB -1.499 31.027 32.500 0.044 0.000 0.727 71 K HN 1.194 nan 8.250 nan 0.000 0.458 72 E N -1.024 119.204 120.200 0.047 0.000 2.498 72 E HA 0.561 4.911 4.350 -0.000 0.000 0.203 72 E C 0.994 177.615 176.600 0.035 0.000 1.013 72 E CA 0.332 56.756 56.400 0.040 0.000 0.927 72 E CB -0.913 28.819 29.700 0.054 0.000 1.012 72 E HN 0.985 nan 8.360 nan 0.000 0.482 73 I N 0.126 120.715 120.570 0.031 0.000 3.004 73 I HA 0.814 4.984 4.170 -0.000 0.000 0.287 73 I C 1.004 177.139 176.117 0.030 0.000 1.144 73 I CA -0.459 60.858 61.300 0.028 0.000 1.353 73 I CB 0.684 38.696 38.000 0.020 0.000 1.417 73 I HN 0.587 nan 8.210 nan 0.000 0.602 74 A N 2.266 125.107 122.820 0.036 0.000 2.261 74 A HA 0.872 5.192 4.320 -0.000 0.000 0.323 74 A C 1.550 179.155 177.584 0.036 0.000 1.107 74 A CA 0.276 52.338 52.037 0.040 0.000 0.883 74 A CB 0.241 19.276 19.000 0.058 0.000 1.251 74 A HN 2.001 nan 8.150 nan 0.000 0.502 75 R N -0.986 119.538 120.500 0.039 0.000 2.057 75 R HA 0.195 4.535 4.340 -0.000 0.000 0.224 75 R C 2.128 178.451 176.300 0.039 0.000 1.136 75 R CA 2.119 58.240 56.100 0.034 0.000 0.968 75 R CB -1.870 28.450 30.300 0.033 0.000 0.863 75 R HN 1.187 nan 8.270 nan 0.000 0.433 76 E N -0.608 119.622 120.200 0.051 0.000 2.338 76 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 76 E C 2.054 178.683 176.600 0.049 0.000 1.007 76 E CA 1.463 57.895 56.400 0.053 0.000 0.849 76 E CB -1.237 28.508 29.700 0.074 0.000 0.774 76 E HN 1.150 nan 8.360 nan 0.000 0.506 77 Y N -2.346 117.984 120.300 0.050 0.000 2.457 77 Y HA 0.533 5.083 4.550 -0.000 0.000 0.263 77 Y C 1.455 177.374 175.900 0.032 0.000 1.164 77 Y CA -0.146 57.981 58.100 0.045 0.000 1.274 77 Y CB -0.825 37.667 38.460 0.053 0.000 1.097 77 Y HN 0.704 nan 8.280 nan 0.000 0.523 78 F N 2.492 122.459 119.950 0.029 0.000 2.406 78 F HA 0.671 5.198 4.527 -0.000 0.000 0.358 78 F C -1.235 174.577 175.800 0.019 0.000 1.161 78 F CA -3.667 54.346 58.000 0.021 0.000 1.185 78 F CB -1.182 37.830 39.000 0.020 0.000 1.421 78 F HN 0.250 nan 8.300 nan 0.000 0.576 88 P HA 0.752 nan 4.420 nan 0.000 0.283 88 P C -0.178 177.123 177.300 0.002 0.000 1.278 88 P CA -0.284 62.818 63.100 0.004 0.000 0.834 88 P CB 1.032 32.735 31.700 0.004 0.000 1.150 89 N N -0.986 117.713 118.700 -0.000 0.000 2.518 89 N HA 0.454 5.194 4.740 -0.000 0.000 0.283 89 N C 1.418 176.924 175.510 -0.007 0.000 1.119 89 N CA -0.088 52.960 53.050 -0.004 0.000 0.983 89 N CB 0.182 38.665 38.487 -0.005 0.000 1.139 89 N HN 0.573 nan 8.380 nan 0.000 0.465 90 I N 0.441 121.003 120.570 -0.012 0.000 2.315 90 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 90 I C 2.752 178.859 176.117 -0.016 0.000 1.125 90 I CA 2.748 64.038 61.300 -0.017 0.000 1.392 90 I CB -2.134 35.847 38.000 -0.032 0.000 1.065 90 I HN 1.057 nan 8.210 nan 0.000 0.424 91 K N 0.569 120.959 120.400 -0.016 0.000 2.520 91 K HA -0.074 4.246 4.320 -0.000 0.000 0.197 91 K C 1.669 178.264 176.600 -0.008 0.000 1.044 91 K CA 2.435 58.714 56.287 -0.013 0.000 0.938 91 K CB -2.171 30.321 32.500 -0.012 0.000 0.767 91 K HN 1.014 nan 8.250 nan 0.000 0.481 92 D N -0.784 119.613 120.400 -0.006 0.000 2.527 92 D HA 0.358 4.998 4.640 -0.000 0.000 0.249 92 D C 2.368 178.668 176.300 0.000 0.000 1.029 92 D CA 1.221 55.219 54.000 -0.002 0.000 0.951 92 D CB -0.706 40.094 40.800 -0.000 0.000 1.093 92 D HN 0.472 nan 8.370 nan 0.000 0.464 93 V N -0.087 119.827 119.914 0.001 0.000 2.427 93 V HA 0.474 4.594 4.120 -0.000 0.000 0.248 93 V C 1.711 177.808 176.094 0.005 0.000 1.051 93 V CA 2.210 64.513 62.300 0.004 0.000 1.048 93 V CB -0.995 30.832 31.823 0.007 0.000 0.666 93 V HN 0.996 nan 8.190 nan 0.000 0.456 94 L N 0.149 121.372 121.223 -0.000 0.000 2.343 94 L HA 0.964 5.304 4.340 -0.000 0.000 0.278 94 L C 0.373 177.242 176.870 -0.003 0.000 0.996 94 L CA -0.492 54.349 54.840 0.000 0.000 0.831 94 L CB 0.094 nan 42.059 nan 0.000 1.232 94 L HN 0.854 nan 8.230 nan 0.000 0.413 95 R N 2.150 122.651 120.500 0.002 0.000 2.410 95 R HA 0.765 5.105 4.340 -0.000 0.000 0.288 95 R C 0.531 176.831 176.300 0.001 0.000 1.051 95 R CA 0.297 56.397 56.100 0.000 0.000 1.021 95 R CB -0.351 29.951 30.300 0.003 0.000 1.032 95 R HN 2.221 nan 8.270 nan 0.000 0.481 96 E N 0.004 120.203 120.200 -0.002 0.000 2.492 96 E HA 0.356 4.706 4.350 -0.000 0.000 0.266 96 E C 1.638 178.241 176.600 0.005 0.000 1.047 96 E CA 0.756 57.155 56.400 -0.002 0.000 0.968 96 E CB -0.244 29.454 29.700 -0.003 0.000 0.960 96 E HN 2.356 nan 8.360 nan 0.000 0.452 97 G N 0.279 109.084 108.800 0.008 0.000 2.228 97 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.270 97 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.270 97 G C 0.729 175.640 174.900 0.018 0.000 0.976 97 G CA 0.915 46.023 45.100 0.014 0.000 0.636 97 G HN 1.155 nan 8.290 nan 0.000 0.542 98 Q N 1.362 121.171 119.800 0.016 0.000 2.263 98 Q HA 0.470 4.810 4.340 -0.000 0.000 0.289 98 Q C 0.523 176.542 176.000 0.030 0.000 1.061 98 Q CA 0.822 56.637 55.803 0.021 0.000 0.927 98 Q CB 0.141 28.889 28.738 0.017 0.000 1.154 98 Q HN 0.798 nan 8.270 nan 0.000 0.378 99 E N 2.690 122.911 120.200 0.035 0.000 2.331 99 E HA 0.537 4.887 4.350 -0.000 0.000 0.272 99 E C -1.143 175.489 176.600 0.053 0.000 1.036 99 E CA -0.229 56.200 56.400 0.047 0.000 0.864 99 E CB 1.968 31.695 29.700 0.046 0.000 1.035 99 E HN 0.550 nan 8.360 nan 0.000 0.408 100 V N 0.314 120.269 119.914 0.069 0.000 3.098 100 V HA 0.627 4.747 4.120 -0.000 0.000 0.294 100 V C -0.200 175.958 176.094 0.106 0.000 1.351 100 V CA 0.007 62.355 62.300 0.079 0.000 0.999 100 V CB 1.221 33.083 31.823 0.066 0.000 1.104 100 V HN 1.437 nan 8.190 nan 0.000 0.438 101 I N 4.657 125.304 120.570 0.127 0.000 2.618 101 I HA 0.729 4.899 4.170 -0.000 0.000 0.284 101 I C -0.136 176.071 176.117 0.150 0.000 1.146 101 I CA 0.362 61.761 61.300 0.165 0.000 1.425 101 I CB 0.783 38.919 38.000 0.226 0.000 1.383 101 I HN 0.650 nan 8.210 nan 0.000 0.562 102 V N 5.711 125.726 119.914 0.170 0.000 2.686 102 V HA 0.525 4.645 4.120 -0.000 0.000 0.306 102 V C -0.251 175.943 176.094 0.166 0.000 1.065 102 V CA -0.560 61.819 62.300 0.133 0.000 0.894 102 V CB 1.730 33.606 31.823 0.089 0.000 1.004 102 V HN 1.085 nan 8.190 nan 0.000 0.424 103 Q N 3.181 123.040 119.800 0.097 0.000 2.351 103 Q HA 0.680 5.020 4.340 -0.000 0.000 0.273 103 Q C -1.261 174.754 176.000 0.026 0.000 1.077 103 Q CA -0.774 55.090 55.803 0.102 0.000 0.843 103 Q CB 2.265 31.043 28.738 0.067 0.000 1.367 103 Q HN 0.717 nan 8.270 nan 0.000 0.449 104 I N 2.583 123.175 120.570 0.038 0.000 2.304 104 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 104 I C 0.691 176.796 176.117 -0.020 0.000 1.018 104 I CA 0.287 61.568 61.300 -0.032 0.000 1.260 104 I CB 1.290 39.283 38.000 -0.010 0.000 1.390 104 I HN 0.981 nan 8.210 nan 0.000 0.475 105 D N 6.717 127.091 120.400 -0.043 0.000 2.149 105 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 105 D C 0.689 176.961 176.300 -0.047 0.000 0.967 105 D CA 0.883 54.858 54.000 -0.042 0.000 0.848 105 D CB 0.176 40.946 40.800 -0.051 0.000 0.998 105 D HN 0.537 nan 8.370 nan 0.000 0.474 106 K N 0.630 120.992 120.400 -0.064 0.000 2.471 106 K HA 0.443 4.763 4.320 -0.000 0.000 0.252 106 K C -0.685 175.886 176.600 -0.050 0.000 0.938 106 K CA -0.472 55.779 56.287 -0.061 0.000 0.796 106 K CB 2.949 35.397 32.500 -0.087 0.000 1.161 106 K HN 0.294 nan 8.250 nan 0.000 0.425 107 E N 1.819 122.004 120.200 -0.025 0.000 2.451 107 E HA -0.024 4.326 4.350 -0.000 0.000 0.256 107 E C -0.459 176.139 176.600 -0.004 0.000 1.294 107 E CA 0.003 56.401 56.400 -0.003 0.000 1.005 107 E CB 0.486 30.192 29.700 0.010 0.000 0.990 107 E HN 0.440 nan 8.360 nan 0.000 0.505 108 E N 1.039 121.251 120.200 0.020 0.000 2.257 108 E HA 0.087 4.437 4.350 -0.000 0.000 0.278 108 E C -0.244 176.362 176.600 0.010 0.000 1.049 108 E CA 0.087 56.500 56.400 0.022 0.000 0.876 108 E CB 0.746 30.474 29.700 0.045 0.000 1.035 108 E HN 0.156 nan 8.360 nan 0.000 0.419 109 R N 2.754 123.253 120.500 -0.002 0.000 2.437 109 R HA 0.366 4.706 4.340 -0.000 0.000 0.310 109 R C 0.770 177.070 176.300 0.001 0.000 0.955 109 R CA 0.395 56.492 56.100 -0.005 0.000 0.851 109 R CB 0.980 31.268 30.300 -0.020 0.000 1.161 109 R HN 0.699 nan 8.270 nan 0.000 0.446 110 G N 2.775 111.579 108.800 0.006 0.000 2.774 110 G HA2 -0.563 3.397 3.960 -0.000 0.000 0.342 110 G HA3 -0.563 3.397 3.960 -0.000 0.000 0.342 110 G C 0.774 175.683 174.900 0.014 0.000 1.185 110 G CA 1.055 46.161 45.100 0.010 0.000 0.956 110 G HN 0.767 nan 8.290 nan 0.000 0.561 111 N N 0.518 119.226 118.700 0.014 0.000 2.348 111 N HA 0.279 5.019 4.740 -0.000 0.000 0.183 111 N C 1.064 176.592 175.510 0.029 0.000 1.094 111 N CA 1.385 54.447 53.050 0.021 0.000 0.885 111 N CB -0.041 38.458 38.487 0.019 0.000 1.065 111 N HN 0.780 nan 8.380 nan 0.000 0.472 112 K N 0.423 120.837 120.400 0.023 0.000 2.414 112 K HA 0.245 4.565 4.320 -0.000 0.000 0.272 112 K C 1.312 177.938 176.600 0.044 0.000 0.993 112 K CA 0.255 56.561 56.287 0.031 0.000 0.964 112 K CB 1.053 33.549 32.500 -0.007 0.000 0.925 112 K HN 0.317 nan 8.250 nan 0.000 0.487 113 G N 1.175 110.020 108.800 0.075 0.000 2.699 113 G HA2 0.236 4.196 3.960 -0.000 0.000 0.214 113 G HA3 0.236 4.196 3.960 -0.000 0.000 0.214 113 G C -0.297 174.637 174.900 0.057 0.000 1.350 113 G CA 0.827 45.982 45.100 0.092 0.000 0.873 113 G HN 0.734 nan 8.290 nan 0.000 0.570 114 A N -2.332 120.502 122.820 0.024 0.000 2.583 114 A HA 0.698 5.018 4.320 -0.000 0.000 0.292 114 A C -0.644 176.896 177.584 -0.074 0.000 1.045 114 A CA 0.121 52.126 52.037 -0.053 0.000 0.672 114 A CB 0.393 19.330 19.000 -0.105 0.000 1.283 114 A HN 1.629 nan 8.150 nan 0.000 0.419 115 A N 0.989 123.735 122.820 -0.125 0.000 2.409 115 A HA 0.652 4.972 4.320 -0.000 0.000 0.267 115 A C -0.301 177.234 177.584 -0.081 0.000 1.127 115 A CA 0.106 52.069 52.037 -0.123 0.000 0.795 115 A CB -0.394 18.506 19.000 -0.167 0.000 1.061 115 A HN 0.931 nan 8.150 nan 0.000 0.502 116 L N 1.484 122.695 121.223 -0.021 0.000 2.333 116 L HA 0.786 5.126 4.340 -0.000 0.000 0.269 116 L C 0.307 177.183 176.870 0.009 0.000 1.010 116 L CA -0.568 54.240 54.840 -0.053 0.000 0.818 116 L CB 2.451 44.441 42.059 -0.114 0.000 1.306 116 L HN 0.707 nan 8.230 nan 0.000 0.430 117 T N -1.904 112.653 114.554 0.005 0.000 2.933 117 T HA 0.290 4.640 4.350 -0.000 0.000 0.305 117 T C 0.458 175.174 174.700 0.027 0.000 1.092 117 T CA -0.004 62.108 62.100 0.020 0.000 1.008 117 T CB 1.557 70.429 68.868 0.006 0.000 1.102 117 T HN 0.791 nan 8.240 nan 0.000 0.469 118 T N 0.241 114.815 114.554 0.034 0.000 3.107 118 T HA 0.324 4.674 4.350 -0.000 0.000 0.249 118 T C 0.695 175.415 174.700 0.032 0.000 1.096 118 T CA 0.082 62.211 62.100 0.048 0.000 1.012 118 T CB -0.900 68.002 68.868 0.057 0.000 0.977 118 T HN 0.665 nan 8.240 nan 0.000 0.527 119 F N 1.571 121.525 119.950 0.007 0.000 2.421 119 F HA 0.753 5.280 4.527 -0.000 0.000 0.358 119 F C 0.069 175.837 175.800 -0.053 0.000 1.115 119 F CA -1.975 56.009 58.000 -0.026 0.000 1.160 119 F CB -0.325 38.660 39.000 -0.026 0.000 1.123 119 F HN 0.291 nan 8.300 nan 0.000 0.508 120 I N 3.904 124.406 120.570 -0.114 0.000 2.404 120 I HA 0.445 4.615 4.170 -0.000 0.000 0.293 120 I C -0.042 175.948 176.117 -0.212 0.000 0.992 120 I CA -0.789 60.426 61.300 -0.142 0.000 1.149 120 I CB 2.212 40.118 38.000 -0.155 0.000 1.315 120 I HN 0.735 nan 8.210 nan 0.000 0.446 121 S N 7.007 122.619 115.700 -0.146 0.000 2.482 121 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 121 S C -0.830 173.682 174.600 -0.146 0.000 1.091 121 S CA -0.823 57.288 58.200 -0.148 0.000 1.057 121 S CB 2.015 65.158 63.200 -0.096 0.000 1.031 121 S HN 0.451 nan 8.310 nan 0.000 0.485 122 L N 2.351 123.474 121.223 -0.167 0.000 2.343 122 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 122 L C -0.150 176.646 176.870 -0.124 0.000 0.996 122 L CA -0.453 54.281 54.840 -0.176 0.000 0.831 122 L CB 1.663 43.583 42.059 -0.232 0.000 1.232 122 L HN 0.980 nan 8.230 nan 0.000 0.413 123 A N 2.851 125.608 122.820 -0.104 0.000 2.274 123 A HA 0.833 5.153 4.320 -0.000 0.000 0.309 123 A C 0.180 177.720 177.584 -0.074 0.000 1.226 123 A CA -0.033 51.958 52.037 -0.076 0.000 0.853 123 A CB 0.828 19.790 19.000 -0.062 0.000 1.146 123 A HN 0.706 nan 8.150 nan 0.000 0.518 124 G N 0.052 108.813 108.800 -0.065 0.000 3.013 124 G HA2 0.461 4.421 3.960 -0.000 0.000 0.278 124 G HA3 0.461 4.421 3.960 -0.000 0.000 0.278 124 G C 0.799 175.615 174.900 -0.141 0.000 1.353 124 G CA 0.262 45.316 45.100 -0.075 0.000 1.043 124 G HN 0.613 nan 8.290 nan 0.000 0.523 125 S N -0.949 114.602 115.700 -0.248 0.000 2.374 125 S HA -0.176 4.294 4.470 -0.000 0.000 0.227 125 S C 1.606 175.837 174.600 -0.615 0.000 1.037 125 S CA 1.967 59.852 58.200 -0.525 0.000 1.024 125 S CB -0.374 62.331 63.200 -0.824 0.000 0.861 125 S HN 0.567 nan 8.310 nan 0.000 0.456 126 Y N -0.898 119.407 120.300 0.008 0.000 2.444 126 Y HA 0.562 5.112 4.550 -0.000 0.000 0.252 126 Y C 0.305 176.206 175.900 0.001 0.000 1.091 126 Y CA -0.529 57.577 58.100 0.009 0.000 1.276 126 Y CB 0.288 38.761 38.460 0.021 0.000 1.170 126 Y HN 0.068 nan 8.280 nan 0.000 0.517 127 L N -1.097 120.193 121.223 0.111 0.000 2.277 127 L HA 0.738 5.078 4.340 -0.000 0.000 0.254 127 L C -1.047 175.827 176.870 0.007 0.000 1.044 127 L CA -1.290 53.588 54.840 0.062 0.000 0.842 127 L CB 2.380 44.484 42.059 0.074 0.000 1.422 127 L HN -0.351 nan 8.230 nan 0.000 0.422 128 V N 1.708 121.616 119.914 -0.010 0.000 2.509 128 V HA 0.557 4.677 4.120 -0.000 0.000 0.289 128 V C 0.063 176.122 176.094 -0.058 0.000 1.026 128 V CA -0.958 61.316 62.300 -0.043 0.000 0.872 128 V CB 1.328 33.121 31.823 -0.051 0.000 1.017 128 V HN 0.685 nan 8.190 nan 0.000 0.436 129 L N 5.242 126.417 121.223 -0.080 0.000 2.416 129 L HA 0.660 5.000 4.340 -0.000 0.000 0.272 129 L C 0.752 177.515 176.870 -0.179 0.000 1.161 129 L CA 0.203 54.974 54.840 -0.115 0.000 0.845 129 L CB 0.271 42.254 42.059 -0.127 0.000 1.119 129 L HN 0.734 nan 8.230 nan 0.000 0.464 130 M N 3.731 123.226 119.600 -0.174 0.000 2.869 130 M HA 0.210 4.690 4.480 -0.000 0.000 0.353 130 M C -1.154 174.994 176.300 -0.254 0.000 1.224 130 M CA -1.899 53.286 55.300 -0.190 0.000 0.917 130 M CB -0.160 32.375 32.600 -0.109 0.000 1.322 130 M HN 0.543 nan 8.290 nan 0.000 0.516 131 P HA -0.273 nan 4.420 nan 0.000 0.227 131 P C 0.992 178.176 177.300 -0.194 0.000 1.141 131 P CA 1.841 64.640 63.100 -0.502 0.000 0.964 131 P CB -0.104 30.539 31.700 -1.761 0.000 0.784 132 N N -0.755 117.795 118.700 -0.250 0.000 2.575 132 N HA -0.015 4.725 4.740 -0.000 0.000 0.192 132 N C -0.132 175.373 175.510 -0.010 0.000 1.200 132 N CA 0.727 53.759 53.050 -0.030 0.000 0.897 132 N CB -0.664 37.802 38.487 -0.036 0.000 0.990 132 N HN 0.310 nan 8.380 nan 0.000 0.449 133 N N -0.501 118.178 118.700 -0.036 0.000 2.647 133 N HA 0.203 4.943 4.740 -0.000 0.000 0.259 133 N C -2.678 172.822 175.510 -0.018 0.000 1.098 133 N CA -0.874 52.167 53.050 -0.015 0.000 0.984 133 N CB 1.045 39.519 38.487 -0.022 0.000 1.683 133 N HN -0.072 nan 8.380 nan 0.000 0.501 134 P HA 0.120 nan 4.420 nan 0.000 0.252 134 P C 1.767 179.065 177.300 -0.002 0.000 1.211 134 P CA 1.021 64.122 63.100 0.001 0.000 0.824 134 P CB 0.295 32.003 31.700 0.013 0.000 1.077 135 R N 1.350 121.849 120.500 -0.002 0.000 2.113 135 R HA 0.025 4.365 4.340 -0.000 0.000 0.244 135 R C 1.599 177.895 176.300 -0.007 0.000 1.142 135 R CA 1.847 57.946 56.100 -0.002 0.000 0.953 135 R CB -1.920 28.380 30.300 -0.001 0.000 0.860 135 R HN 0.454 nan 8.270 nan 0.000 0.438 136 A N -0.444 122.368 122.820 -0.013 0.000 2.276 136 A HA 0.699 5.019 4.320 -0.000 0.000 0.316 136 A C 0.502 178.074 177.584 -0.020 0.000 1.229 136 A CA 0.004 52.030 52.037 -0.017 0.000 0.851 136 A CB 0.893 19.879 19.000 -0.022 0.000 1.165 136 A HN 1.568 nan 8.150 nan 0.000 0.513 137 G N -0.088 108.703 108.800 -0.015 0.000 2.377 137 G HA2 0.749 4.709 3.960 -0.000 0.000 0.297 137 G HA3 0.749 4.709 3.960 -0.000 0.000 0.297 137 G C -0.274 174.622 174.900 -0.008 0.000 1.547 137 G CA 0.454 45.546 45.100 -0.014 0.000 0.833 137 G HN 2.446 nan 8.290 nan 0.000 0.583 138 G N -1.798 106.999 108.800 -0.006 0.000 2.260 138 G HA2 0.568 4.528 3.960 -0.000 0.000 0.250 138 G HA3 0.568 4.528 3.960 -0.000 0.000 0.250 138 G C 0.191 175.090 174.900 -0.001 0.000 1.340 138 G CA 0.307 45.406 45.100 -0.002 0.000 1.056 138 G HN 2.319 nan 8.290 nan 0.000 0.471 139 I N 0.167 120.737 120.570 -0.001 0.000 2.638 139 I HA 0.774 4.944 4.170 -0.000 0.000 0.286 139 I C 1.302 177.417 176.117 -0.003 0.000 1.088 139 I CA 0.544 61.845 61.300 0.001 0.000 1.397 139 I CB 1.033 39.034 38.000 0.001 0.000 1.414 139 I HN 1.757 nan 8.210 nan 0.000 0.566 140 S N 3.538 119.238 115.700 -0.000 0.000 2.443 140 S HA 0.390 4.860 4.470 -0.000 0.000 0.284 140 S C 1.671 176.268 174.600 -0.006 0.000 1.206 140 S CA 0.334 58.531 58.200 -0.005 0.000 1.074 140 S CB -0.089 63.110 63.200 -0.001 0.000 0.963 140 S HN 1.641 nan 8.310 nan 0.000 0.501 141 R N 4.491 124.985 120.500 -0.010 0.000 2.447 141 R HA 0.017 4.357 4.340 -0.000 0.000 0.215 141 R C 1.659 177.955 176.300 -0.008 0.000 1.130 141 R CA 1.698 57.793 56.100 -0.009 0.000 1.075 141 R CB -1.065 29.228 30.300 -0.011 0.000 0.824 141 R HN 0.833 nan 8.270 nan 0.000 0.484 142 R N -1.444 119.051 120.500 -0.007 0.000 2.404 142 R HA 0.297 4.637 4.340 -0.000 0.000 0.237 142 R C 1.050 177.350 176.300 -0.001 0.000 0.907 142 R CA 0.637 56.734 56.100 -0.006 0.000 1.063 142 R CB 0.267 30.561 30.300 -0.010 0.000 1.134 142 R HN 0.515 nan 8.270 nan 0.000 0.529 151 L N 0.366 121.586 121.223 -0.006 0.000 2.425 151 L HA 0.740 5.080 4.340 -0.000 0.000 0.215 151 L C 2.895 179.764 176.870 -0.002 0.000 1.065 151 L CA 2.145 56.981 54.840 -0.006 0.000 0.842 151 L CB -1.394 40.663 42.059 -0.003 0.000 1.033 151 L HN 0.852 nan 8.230 nan 0.000 0.474 152 K N 0.631 121.030 120.400 -0.001 0.000 2.160 152 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 152 K C 2.184 178.784 176.600 0.000 0.000 1.047 152 K CA 2.904 59.191 56.287 0.000 0.000 0.930 152 K CB -1.522 30.979 32.500 0.000 0.000 0.720 152 K HN 0.987 nan 8.250 nan 0.000 0.450 153 E N 0.165 120.364 120.200 -0.002 0.000 2.016 153 E HA 0.285 4.635 4.350 -0.000 0.000 0.190 153 E C 2.563 179.161 176.600 -0.002 0.000 0.985 153 E CA 1.512 57.911 56.400 -0.002 0.000 0.802 153 E CB -1.091 28.607 29.700 -0.004 0.000 0.762 153 E HN 0.901 nan 8.360 nan 0.000 0.448 154 A N 0.613 123.430 122.820 -0.005 0.000 1.986 154 A HA 0.158 4.478 4.320 -0.000 0.000 0.220 154 A C 2.804 180.387 177.584 -0.002 0.000 1.171 154 A CA 3.159 55.191 52.037 -0.008 0.000 0.640 154 A CB -1.158 17.833 19.000 -0.016 0.000 0.811 154 A HN 1.271 nan 8.150 nan 0.000 0.451 155 L N -1.104 120.120 121.223 0.001 0.000 1.976 155 L HA 0.161 4.501 4.340 -0.000 0.000 0.209 155 L C 3.029 179.904 176.870 0.007 0.000 1.071 155 L CA 2.774 57.617 54.840 0.006 0.000 0.746 155 L CB -2.176 39.887 42.059 0.006 0.000 0.890 155 L HN 0.707 nan 8.230 nan 0.000 0.432 156 A N 0.068 122.892 122.820 0.006 0.000 1.903 156 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 156 A C 2.608 180.197 177.584 0.008 0.000 1.191 156 A CA 2.381 54.422 52.037 0.007 0.000 0.638 156 A CB -1.315 17.688 19.000 0.005 0.000 0.823 156 A HN 0.964 nan 8.150 nan 0.000 0.451 157 S N -1.110 114.594 115.700 0.006 0.000 2.484 157 S HA 0.027 4.497 4.470 -0.000 0.000 0.250 157 S C 0.868 175.474 174.600 0.011 0.000 0.995 157 S CA 1.001 59.205 58.200 0.007 0.000 0.967 157 S CB -1.724 61.478 63.200 0.004 0.000 0.752 157 S HN 1.047 nan 8.310 nan 0.000 0.517 158 L N 0.888 122.119 121.223 0.014 0.000 2.399 158 L HA 0.853 5.193 4.340 -0.000 0.000 0.266 158 L C 0.462 177.344 176.870 0.021 0.000 1.114 158 L CA -0.424 54.428 54.840 0.019 0.000 0.804 158 L CB -0.876 41.197 42.059 0.023 0.000 1.146 158 L HN 0.451 nan 8.230 nan 0.000 0.451 159 E N 0.236 120.451 120.200 0.025 0.000 2.322 159 E HA 1.056 5.406 4.350 -0.000 0.000 0.257 159 E C 0.023 176.644 176.600 0.034 0.000 1.155 159 E CA 0.498 56.914 56.400 0.027 0.000 0.936 159 E CB 1.085 30.800 29.700 0.026 0.000 1.130 159 E HN 2.824 nan 8.360 nan 0.000 0.465 160 L N -1.209 120.037 121.223 0.038 0.000 3.119 160 L HA 0.642 4.982 4.340 -0.000 0.000 0.242 160 L C -2.503 174.396 176.870 0.049 0.000 0.978 160 L CA -0.659 54.210 54.840 0.047 0.000 1.065 160 L CB -0.338 41.744 42.059 0.037 0.000 1.502 160 L HN 1.083 nan 8.230 nan 0.000 0.405 167 I N 1.583 122.145 120.570 -0.015 0.000 2.846 167 I HA 0.619 4.789 4.170 -0.000 0.000 0.307 167 I C -0.560 175.562 176.117 0.009 0.000 1.053 167 I CA -1.177 60.119 61.300 -0.006 0.000 1.050 167 I CB 2.319 40.310 38.000 -0.016 0.000 1.239 167 I HN 0.371 nan 8.210 nan 0.000 0.439 168 V N 3.867 123.791 119.914 0.017 0.000 2.435 168 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 168 V C 0.107 176.222 176.094 0.035 0.000 1.030 168 V CA -0.741 61.583 62.300 0.038 0.000 0.881 168 V CB 1.487 33.332 31.823 0.038 0.000 0.983 168 V HN 0.638 nan 8.190 nan 0.000 0.445 169 R N 1.952 122.486 120.500 0.057 0.000 2.560 169 R HA 0.312 4.652 4.340 -0.000 0.000 0.270 169 R C 1.306 177.634 176.300 0.047 0.000 1.074 169 R CA 0.107 56.226 56.100 0.032 0.000 1.140 169 R CB 0.678 30.990 30.300 0.019 0.000 1.073 169 R HN 0.831 nan 8.270 nan 0.000 0.527 170 T N 1.502 116.065 114.554 0.015 0.000 3.118 170 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 170 T C 0.960 175.696 174.700 0.060 0.000 1.166 170 T CA 1.420 63.533 62.100 0.022 0.000 1.073 170 T CB -0.104 68.759 68.868 -0.009 0.000 0.884 170 T HN 0.635 nan 8.240 nan 0.000 0.550 171 A N 0.248 123.129 122.820 0.102 0.000 2.390 171 A HA 0.580 4.900 4.320 -0.000 0.000 0.232 171 A C 2.277 180.073 177.584 0.353 0.000 1.233 171 A CA 0.422 52.567 52.037 0.180 0.000 0.907 171 A CB -0.172 18.886 19.000 0.096 0.000 0.967 171 A HN 0.445 nan 8.150 nan 0.000 0.512 172 G N 0.093 109.072 108.800 0.298 0.000 2.534 172 G HA2 0.141 4.101 3.960 -0.000 0.000 0.217 172 G HA3 0.141 4.101 3.960 -0.000 0.000 0.217 172 G C 1.485 176.410 174.900 0.041 0.000 1.128 172 G CA 1.229 46.427 45.100 0.163 0.000 0.784 172 G HN 0.785 nan 8.290 nan 0.000 0.542 173 V N 1.362 121.316 119.914 0.066 0.000 2.257 173 V HA -0.130 3.990 4.120 -0.000 0.000 0.257 173 V C 2.341 178.440 176.094 0.008 0.000 1.077 173 V CA 2.760 65.079 62.300 0.032 0.000 1.063 173 V CB -0.871 30.977 31.823 0.041 0.000 0.664 173 V HN 0.423 nan 8.190 nan 0.000 0.450 174 G N -0.504 108.307 108.800 0.018 0.000 3.782 174 G HA2 0.652 4.612 3.960 -0.000 0.000 0.288 174 G HA3 0.652 4.612 3.960 -0.000 0.000 0.288 174 G C 0.027 174.895 174.900 -0.052 0.000 1.300 174 G CA 1.131 46.226 45.100 -0.009 0.000 1.261 174 G HN 1.163 nan 8.290 nan 0.000 0.591 175 K N -0.607 119.734 120.400 -0.098 0.000 2.499 175 K HA 0.850 5.170 4.320 -0.000 0.000 0.277 175 K C 0.284 176.801 176.600 -0.139 0.000 1.025 175 K CA -0.038 56.148 56.287 -0.169 0.000 0.900 175 K CB 1.032 33.299 32.500 -0.388 0.000 1.494 175 K HN 0.653 nan 8.250 nan 0.000 0.442 176 S N -0.877 114.741 115.700 -0.136 0.000 2.623 176 S HA 0.712 5.182 4.470 -0.000 0.000 0.287 176 S C 1.526 176.071 174.600 -0.091 0.000 1.123 176 S CA 0.269 58.416 58.200 -0.089 0.000 1.016 176 S CB 1.154 64.317 63.200 -0.061 0.000 1.233 176 S HN 1.657 nan 8.310 nan 0.000 0.512 177 A N -0.116 122.672 122.820 -0.054 0.000 1.984 177 A HA 0.329 4.649 4.320 -0.000 0.000 0.214 177 A C 2.241 179.810 177.584 -0.025 0.000 1.173 177 A CA 1.153 53.168 52.037 -0.036 0.000 0.673 177 A CB -1.801 17.187 19.000 -0.019 0.000 0.830 177 A HN 1.040 nan 8.150 nan 0.000 0.453 178 E N 0.085 120.273 120.200 -0.021 0.000 2.077 178 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 178 E C 2.238 178.842 176.600 0.007 0.000 0.989 178 E CA 1.971 58.371 56.400 0.000 0.000 0.800 178 E CB -1.145 28.557 29.700 0.003 0.000 0.746 178 E HN 0.948 nan 8.360 nan 0.000 0.452 179 A N 0.761 123.560 122.820 -0.034 0.000 1.902 179 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 179 A C 2.459 180.039 177.584 -0.006 0.000 1.181 179 A CA 1.632 53.641 52.037 -0.047 0.000 0.623 179 A CB -0.386 18.489 19.000 -0.208 0.000 0.818 179 A HN 0.483 nan 8.150 nan 0.000 0.443 180 L N -1.172 120.027 121.223 -0.040 0.000 2.046 180 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 180 L C 3.279 180.190 176.870 0.069 0.000 1.077 180 L CA 1.986 56.842 54.840 0.027 0.000 0.747 180 L CB -1.806 40.255 42.059 0.003 0.000 0.896 180 L HN 0.658 nan 8.230 nan 0.000 0.432 181 Q N -0.048 119.782 119.800 0.050 0.000 2.050 181 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 181 Q C 2.339 178.401 176.000 0.102 0.000 0.980 181 Q CA 2.590 58.430 55.803 0.063 0.000 0.840 181 Q CB -1.950 26.813 28.738 0.041 0.000 0.898 181 Q HN 0.681 nan 8.270 nan 0.000 0.424 182 W N 1.117 122.489 121.300 0.121 0.000 2.318 182 W HA -0.172 4.488 4.660 -0.000 0.000 0.313 182 W C 1.975 178.676 176.519 0.304 0.000 1.221 182 W CA 1.703 59.169 57.345 0.202 0.000 1.266 182 W CB -0.939 28.635 29.460 0.190 0.000 1.150 182 W HN 0.625 nan 8.180 nan 0.000 0.496 183 D N -0.158 120.388 120.400 0.243 0.000 2.077 183 D HA -0.080 4.560 4.640 -0.000 0.000 0.193 183 D C 2.821 179.251 176.300 0.217 0.000 0.989 183 D CA 3.219 57.366 54.000 0.244 0.000 0.831 183 D CB -0.743 40.204 40.800 0.244 0.000 0.979 183 D HN 0.494 nan 8.370 nan 0.000 0.449 184 L N 0.633 121.949 121.223 0.155 0.000 2.064 184 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 184 L C 2.686 179.630 176.870 0.123 0.000 1.077 184 L CA 3.317 58.226 54.840 0.115 0.000 0.766 184 L CB -2.112 39.997 42.059 0.083 0.000 0.890 184 L HN 0.386 nan 8.230 nan 0.000 0.435 185 S N -1.599 114.176 115.700 0.124 0.000 2.349 185 S HA -0.232 4.238 4.470 -0.000 0.000 0.216 185 S C 2.047 176.706 174.600 0.099 0.000 1.033 185 S CA 1.234 59.478 58.200 0.073 0.000 1.021 185 S CB -1.267 61.937 63.200 0.007 0.000 0.968 185 S HN 0.647 nan 8.310 nan 0.000 0.426 186 F N 2.760 122.757 119.950 0.078 0.000 2.111 186 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 186 F C 2.958 178.822 175.800 0.108 0.000 1.088 186 F CA 1.719 59.771 58.000 0.088 0.000 1.243 186 F CB -0.203 38.848 39.000 0.085 0.000 0.996 186 F HN 0.083 nan 8.300 nan 0.000 0.483 187 R N 0.348 121.014 120.500 0.276 0.000 2.082 187 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 187 R C 2.301 178.729 176.300 0.214 0.000 1.136 187 R CA 1.578 57.786 56.100 0.180 0.000 0.935 187 R CB -1.339 29.021 30.300 0.099 0.000 0.842 187 R HN 0.345 nan 8.270 nan 0.000 0.430 188 L N 1.176 122.513 121.223 0.190 0.000 1.990 188 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 188 L C 3.096 180.090 176.870 0.206 0.000 1.072 188 L CA 2.699 57.673 54.840 0.225 0.000 0.755 188 L CB -1.146 41.004 42.059 0.153 0.000 0.889 188 L HN 0.268 nan 8.230 nan 0.000 0.432 189 K N -0.176 120.295 120.400 0.118 0.000 2.049 189 K HA -0.362 3.958 4.320 -0.000 0.000 0.219 189 K C 1.821 178.500 176.600 0.132 0.000 1.056 189 K CA 2.529 58.857 56.287 0.069 0.000 0.946 189 K CB -1.902 30.595 32.500 -0.004 0.000 0.723 189 K HN 0.610 nan 8.250 nan 0.000 0.453 190 H N -1.766 117.371 119.070 0.112 0.000 2.252 190 H HA -0.194 4.362 4.556 0.000 0.000 0.292 190 H C 2.117 177.555 175.328 0.183 0.000 1.082 190 H CA 2.741 58.850 56.048 0.102 0.000 1.229 190 H CB -0.322 29.474 29.762 0.058 0.000 1.353 190 H HN 0.680 nan 8.280 nan 0.000 0.488 191 W N 1.018 122.422 121.300 0.173 0.000 2.290 191 W HA -0.370 4.290 4.660 0.000 0.000 0.323 191 W C 2.572 179.122 176.519 0.051 0.000 1.260 191 W CA 1.896 59.298 57.345 0.094 0.000 1.266 191 W CB -0.326 29.169 29.460 0.058 0.000 1.149 191 W HN 0.563 nan 8.180 nan 0.000 0.482 192 E N 0.288 120.510 120.200 0.037 0.000 2.007 192 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 192 E C 1.932 178.460 176.600 -0.119 0.000 0.999 192 E CA 2.157 58.461 56.400 -0.160 0.000 0.811 192 E CB -1.478 28.170 29.700 -0.086 0.000 0.762 192 E HN 0.457 nan 8.360 nan 0.000 0.450 193 A N 0.610 123.395 122.820 -0.058 0.000 2.042 193 A HA 0.075 4.395 4.320 -0.000 0.000 0.222 193 A C 2.716 180.260 177.584 -0.067 0.000 1.167 193 A CA 3.359 55.347 52.037 -0.081 0.000 0.649 193 A CB -1.221 17.705 19.000 -0.124 0.000 0.809 193 A HN 1.298 nan 8.150 nan 0.000 0.457 194 I N 1.018 121.589 120.570 0.003 0.000 2.110 194 I HA -0.165 4.005 4.170 -0.000 0.000 0.236 194 I C 2.338 178.456 176.117 0.002 0.000 1.068 194 I CA 2.382 63.740 61.300 0.096 0.000 1.333 194 I CB -1.479 36.760 38.000 0.397 0.000 1.054 194 I HN 0.661 nan 8.210 nan 0.000 0.402 195 K N 1.060 121.357 120.400 -0.172 0.000 2.555 195 K HA 0.107 4.427 4.320 -0.000 0.000 0.193 195 K C 1.844 178.351 176.600 -0.155 0.000 1.032 195 K CA 1.205 57.354 56.287 -0.230 0.000 1.004 195 K CB -0.370 31.817 32.500 -0.521 0.000 0.804 195 K HN 0.591 nan 8.250 nan 0.000 0.496 196 K N 1.284 121.613 120.400 -0.120 0.000 2.078 196 K HA 0.255 4.575 4.320 -0.000 0.000 0.203 196 K C 2.139 178.710 176.600 -0.048 0.000 1.043 196 K CA 0.731 56.966 56.287 -0.085 0.000 0.960 196 K CB -0.768 31.682 32.500 -0.083 0.000 0.761 196 K HN 0.315 nan 8.250 nan 0.000 0.448 197 A N 0.726 123.526 122.820 -0.034 0.000 2.248 197 A HA 0.424 4.744 4.320 -0.000 0.000 0.210 197 A C 2.399 179.985 177.584 0.003 0.000 1.174 197 A CA 1.530 53.559 52.037 -0.012 0.000 0.750 197 A CB -0.566 18.430 19.000 -0.006 0.000 0.780 197 A HN 0.766 nan 8.150 nan 0.000 0.478 198 A N -0.928 121.891 122.820 -0.002 0.000 1.956 198 A HA 0.362 4.682 4.320 -0.000 0.000 0.212 198 A C 1.896 179.482 177.584 0.003 0.000 1.188 198 A CA 1.288 53.335 52.037 0.016 0.000 0.675 198 A CB -0.395 nan 19.000 nan 0.000 0.845 198 A HN 0.634 nan 8.150 nan 0.000 0.455 199 E N -0.514 119.674 120.200 -0.020 0.000 2.502 199 E HA 0.426 4.776 4.350 -0.000 0.000 0.194 199 E C 0.838 177.430 176.600 -0.014 0.000 1.062 199 E CA 0.888 57.275 56.400 -0.021 0.000 0.867 199 E CB -0.974 28.702 29.700 -0.041 0.000 0.888 199 E HN 0.910 nan 8.360 nan 0.000 0.510 200 S N -0.639 115.056 115.700 -0.009 0.000 2.422 200 S HA 0.677 5.147 4.470 -0.000 0.000 0.226 200 S C 0.457 175.058 174.600 0.003 0.000 1.242 200 S CA 0.585 58.782 58.200 -0.006 0.000 1.231 200 S CB -0.159 63.033 63.200 -0.012 0.000 1.067 200 S HN 1.047 nan 8.310 nan 0.000 0.462 201 R N -0.156 120.350 120.500 0.009 0.000 3.110 201 R HA 0.690 5.029 4.340 -0.000 0.000 0.287 201 R C -2.936 173.377 176.300 0.021 0.000 0.969 201 R CA -0.279 55.830 56.100 0.015 0.000 0.828 201 R CB -1.870 28.441 30.300 0.019 0.000 1.354 201 R HN 0.290 nan 8.270 nan 0.000 0.524 202 P HA 0.464 nan 4.420 nan 0.000 0.287 202 P C 0.870 178.194 177.300 0.040 0.000 1.282 202 P CA 0.738 63.855 63.100 0.028 0.000 0.804 202 P CB 0.178 31.895 31.700 0.027 0.000 1.323 203 A N -0.612 122.236 122.820 0.047 0.000 1.993 203 A HA 0.176 4.496 4.320 -0.000 0.000 0.207 203 A C -1.520 176.117 177.584 0.088 0.000 1.224 203 A CA 0.375 52.450 52.037 0.063 0.000 0.749 203 A CB -1.481 17.553 19.000 0.056 0.000 0.884 203 A HN 0.483 nan 8.150 nan 0.000 0.467 204 P HA 0.421 nan 4.420 nan 0.000 0.231 204 P C -0.766 176.602 177.300 0.112 0.000 1.811 204 P CA 0.533 63.689 63.100 0.094 0.000 1.051 204 P CB -0.786 30.947 31.700 0.056 0.000 1.951 205 F N 1.825 121.871 119.950 0.161 0.000 2.601 205 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 205 F C -0.979 174.935 175.800 0.189 0.000 1.089 205 F CA -1.699 56.389 58.000 0.147 0.000 0.940 205 F CB 1.282 40.331 39.000 0.082 0.000 1.273 205 F HN 0.099 nan 8.300 nan 0.000 0.450 206 L N 2.869 124.147 121.223 0.092 0.000 2.416 206 L HA 0.618 4.958 4.340 -0.000 0.000 0.272 206 L C 0.469 177.250 176.870 -0.149 0.000 1.161 206 L CA 0.253 54.957 54.840 -0.226 0.000 0.845 206 L CB 0.764 42.681 42.059 -0.238 0.000 1.119 206 L HN 0.731 nan 8.230 nan 0.000 0.464 207 I N 2.232 122.686 120.570 -0.194 0.000 3.443 207 I HA 0.249 4.419 4.170 -0.000 0.000 0.277 207 I C 0.067 176.222 176.117 0.064 0.000 1.169 207 I CA 0.305 61.596 61.300 -0.014 0.000 1.419 207 I CB -0.722 37.319 38.000 0.069 0.000 1.331 207 I HN 0.876 nan 8.210 nan 0.000 0.458 208 H N 0.771 119.785 119.070 -0.093 0.000 2.782 208 H HA 0.659 5.214 4.556 -0.000 0.000 0.347 208 H C -0.642 174.652 175.328 -0.058 0.000 1.038 208 H CA -0.773 55.277 56.048 0.003 0.000 1.255 208 H CB 1.478 31.333 29.762 0.156 0.000 1.623 208 H HN 0.244 nan 8.280 nan 0.000 0.525 209 Q N 3.035 122.537 119.800 -0.496 0.000 2.241 209 Q HA 0.291 4.631 4.340 -0.000 0.000 0.254 209 Q C -0.565 175.045 176.000 -0.649 0.000 0.917 209 Q CA -0.822 54.725 55.803 -0.426 0.000 0.919 209 Q CB 1.245 29.868 28.738 -0.193 0.000 1.237 209 Q HN 0.695 nan 8.270 nan 0.000 0.434 210 E N 1.969 121.942 120.200 -0.379 0.000 2.404 210 E HA 0.179 4.529 4.350 -0.000 0.000 0.261 210 E C -0.738 175.780 176.600 -0.136 0.000 1.074 210 E CA 0.130 56.386 56.400 -0.240 0.000 0.917 210 E CB 0.718 30.360 29.700 -0.098 0.000 0.965 210 E HN 0.683 nan 8.360 nan 0.000 0.433 211 S N 2.307 117.968 115.700 -0.065 0.000 2.580 211 S HA 0.054 4.524 4.470 -0.000 0.000 0.266 211 S C 0.238 174.787 174.600 -0.085 0.000 1.354 211 S CA -0.262 57.904 58.200 -0.057 0.000 1.008 211 S CB 0.036 63.207 63.200 -0.048 0.000 0.898 211 S HN 0.728 nan 8.310 nan 0.000 0.555 212 N N -0.240 118.394 118.700 -0.111 0.000 2.364 212 N HA 0.081 4.821 4.740 -0.000 0.000 0.264 212 N C 0.920 176.333 175.510 -0.161 0.000 1.263 212 N CA -0.536 52.443 53.050 -0.119 0.000 0.959 212 N CB -0.347 38.074 38.487 -0.110 0.000 1.204 212 N HN 0.217 nan 8.380 nan 0.000 0.550 213 V N 0.018 119.840 119.914 -0.152 0.000 2.469 213 V HA -0.143 3.977 4.120 -0.000 0.000 0.251 213 V C 1.922 177.856 176.094 -0.267 0.000 1.064 213 V CA 1.430 63.625 62.300 -0.174 0.000 1.066 213 V CB -0.748 30.988 31.823 -0.146 0.000 0.667 213 V HN 0.616 nan 8.190 nan 0.000 0.461 214 I N -1.280 119.087 120.570 -0.339 0.000 2.333 214 I HA -0.122 4.048 4.170 -0.000 0.000 0.246 214 I C 2.355 178.059 176.117 -0.688 0.000 1.106 214 I CA 1.032 61.999 61.300 -0.555 0.000 1.411 214 I CB -0.368 37.304 38.000 -0.547 0.000 1.082 214 I HN 0.186 nan 8.210 nan 0.000 0.420 215 V N 1.312 120.909 119.914 -0.527 0.000 2.223 215 V HA -0.285 3.835 4.120 -0.000 0.000 0.244 215 V C 2.560 178.535 176.094 -0.198 0.000 1.045 215 V CA 1.794 63.859 62.300 -0.392 0.000 1.000 215 V CB -0.828 30.795 31.823 -0.333 0.000 0.635 215 V HN 0.376 nan 8.190 nan 0.000 0.445 216 R N 0.198 120.608 120.500 -0.149 0.000 2.190 216 R HA -0.321 4.019 4.340 -0.000 0.000 0.255 216 R C 2.343 178.661 176.300 0.030 0.000 1.143 216 R CA 1.927 58.000 56.100 -0.046 0.000 0.965 216 R CB -0.997 29.279 30.300 -0.039 0.000 0.889 216 R HN 0.585 nan 8.270 nan 0.000 0.448 217 A N 1.184 123.948 122.820 -0.093 0.000 1.834 217 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 217 A C 2.115 179.810 177.584 0.185 0.000 1.203 217 A CA 1.550 53.576 52.037 -0.019 0.000 0.621 217 A CB -1.129 17.724 19.000 -0.246 0.000 0.841 217 A HN 0.337 nan 8.150 nan 0.000 0.446 218 F N -0.645 119.250 119.950 -0.093 0.000 2.115 218 F HA -0.285 4.242 4.527 -0.000 0.000 0.300 218 F C 2.740 178.442 175.800 -0.163 0.000 1.092 218 F CA 1.556 59.459 58.000 -0.162 0.000 1.245 218 F CB -0.174 38.737 39.000 -0.148 0.000 0.995 218 F HN 0.266 nan 8.300 nan 0.000 0.481 219 R N 0.610 121.163 120.500 0.089 0.000 2.075 219 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 219 R C 0.917 177.187 176.300 -0.049 0.000 1.126 219 R CA 2.090 58.176 56.100 -0.022 0.000 0.963 219 R CB -0.113 30.169 30.300 -0.031 0.000 0.858 219 R HN 0.166 nan 8.270 nan 0.000 0.435 220 D N -1.840 118.577 120.400 0.027 0.000 2.407 220 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 220 D C -0.085 176.017 176.300 -0.329 0.000 1.083 220 D CA 0.483 54.404 54.000 -0.132 0.000 0.844 220 D CB 0.571 41.274 40.800 -0.163 0.000 0.967 220 D HN 0.263 nan 8.370 nan 0.000 0.506 221 Y N -0.136 120.136 120.300 -0.047 0.000 2.675 221 Y HA 0.373 4.923 4.550 -0.000 0.000 0.248 221 Y C 0.206 176.084 175.900 -0.036 0.000 1.161 221 Y CA -0.354 57.731 58.100 -0.026 0.000 1.203 221 Y CB 0.612 39.057 38.460 -0.026 0.000 1.262 221 Y HN -0.184 nan 8.280 nan 0.000 0.544 222 L N 2.521 123.737 121.223 -0.010 0.000 2.397 222 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 222 L C 0.001 176.906 176.870 0.058 0.000 1.136 222 L CA -0.433 54.322 54.840 -0.142 0.000 1.019 222 L CB -0.134 41.521 42.059 -0.674 0.000 1.352 222 L HN 0.006 nan 8.230 nan 0.000 0.420 223 R N 0.914 121.496 120.500 0.137 0.000 2.707 223 R HA 0.153 4.493 4.340 -0.000 0.000 0.270 223 R C 1.300 177.774 176.300 0.290 0.000 1.083 223 R CA 0.257 56.463 56.100 0.176 0.000 1.182 223 R CB 0.289 30.663 30.300 0.123 0.000 1.084 223 R HN 0.549 nan 8.270 nan 0.000 0.528 224 Q N 1.206 121.136 119.800 0.216 0.000 2.291 224 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 224 Q C 1.002 177.070 176.000 0.115 0.000 0.976 224 Q CA 2.105 57.996 55.803 0.147 0.000 0.875 224 Q CB -0.764 28.010 28.738 0.060 0.000 0.927 224 Q HN 0.736 nan 8.270 nan 0.000 0.450 225 D N -1.092 119.381 120.400 0.122 0.000 2.349 225 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 225 D C 0.190 176.569 176.300 0.132 0.000 1.029 225 D CA -0.267 53.792 54.000 0.098 0.000 0.879 225 D CB -0.361 40.485 40.800 0.077 0.000 0.906 225 D HN 0.600 nan 8.370 nan 0.000 0.528 226 I N 1.431 122.119 120.570 0.197 0.000 2.347 226 I HA 0.160 4.330 4.170 -0.000 0.000 0.294 226 I C 1.820 178.046 176.117 0.181 0.000 1.090 226 I CA -0.434 60.987 61.300 0.202 0.000 1.314 226 I CB 1.279 39.419 38.000 0.234 0.000 1.423 226 I HN -0.034 nan 8.210 nan 0.000 0.503 227 G N 6.251 115.122 108.800 0.119 0.000 2.666 227 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 227 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 227 G C 0.459 175.418 174.900 0.099 0.000 1.294 227 G CA 0.355 45.510 45.100 0.090 0.000 0.811 227 G HN 0.600 nan 8.290 nan 0.000 0.594 228 E N -0.956 119.297 120.200 0.088 0.000 2.249 228 E HA 0.603 4.953 4.350 -0.000 0.000 0.263 228 E C -0.887 175.769 176.600 0.093 0.000 0.950 228 E CA -0.606 55.850 56.400 0.094 0.000 0.827 228 E CB 2.386 32.140 29.700 0.090 0.000 1.220 228 E HN 0.113 nan 8.360 nan 0.000 0.411 229 I N 2.783 123.416 120.570 0.105 0.000 2.555 229 I HA 0.186 4.356 4.170 -0.000 0.000 0.275 229 I C -0.529 175.666 176.117 0.131 0.000 1.082 229 I CA -0.368 60.998 61.300 0.111 0.000 1.167 229 I CB 0.260 38.331 38.000 0.119 0.000 1.312 229 I HN 0.275 nan 8.210 nan 0.000 0.493 230 L N 5.913 127.206 121.223 0.115 0.000 2.461 230 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 230 L C -0.116 176.856 176.870 0.170 0.000 1.197 230 L CA 0.218 55.156 54.840 0.163 0.000 0.836 230 L CB 0.622 42.789 42.059 0.181 0.000 1.105 230 L HN 0.447 nan 8.230 nan 0.000 0.477 231 I N 1.360 122.048 120.570 0.198 0.000 2.656 231 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 231 I C -0.297 175.938 176.117 0.196 0.000 1.144 231 I CA -0.555 60.848 61.300 0.172 0.000 1.038 231 I CB 2.308 40.398 38.000 0.150 0.000 1.244 231 I HN 0.598 nan 8.210 nan 0.000 0.420 232 D N 2.281 122.775 120.400 0.156 0.000 2.339 232 D HA 0.003 4.643 4.640 -0.000 0.000 0.217 232 D C 0.150 176.519 176.300 0.115 0.000 1.050 232 D CA 0.332 54.443 54.000 0.185 0.000 0.856 232 D CB 0.079 40.967 40.800 0.147 0.000 0.922 232 D HN 0.477 nan 8.370 nan 0.000 0.518 233 N N -0.132 118.618 118.700 0.084 0.000 2.397 233 N HA 0.271 5.011 4.740 -0.000 0.000 0.291 233 N C -2.453 173.091 175.510 0.057 0.000 1.065 233 N CA -1.871 51.213 53.050 0.058 0.000 0.884 233 N CB 2.500 41.006 38.487 0.032 0.000 1.551 233 N HN -0.374 nan 8.380 nan 0.000 0.487 234 P HA -0.224 nan 4.420 nan 0.000 0.214 234 P C 1.409 178.732 177.300 0.038 0.000 1.169 234 P CA 3.114 66.239 63.100 0.042 0.000 0.908 234 P CB 0.079 31.796 31.700 0.029 0.000 0.791 235 K N -0.268 120.150 120.400 0.028 0.000 2.034 235 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 235 K C 2.177 178.797 176.600 0.032 0.000 1.051 235 K CA 2.670 58.971 56.287 0.024 0.000 0.931 235 K CB -2.070 30.440 32.500 0.016 0.000 0.715 235 K HN 0.064 nan 8.250 nan 0.000 0.446 236 V N 0.955 120.893 119.914 0.040 0.000 2.270 236 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 236 V C 2.448 178.591 176.094 0.081 0.000 1.043 236 V CA 1.739 64.072 62.300 0.054 0.000 1.014 236 V CB -0.793 31.057 31.823 0.044 0.000 0.645 236 V HN 0.583 nan 8.190 nan 0.000 0.447 237 L N 0.600 121.876 121.223 0.087 0.000 1.997 237 L HA -0.372 3.968 4.340 -0.000 0.000 0.227 237 L C 2.925 179.853 176.870 0.097 0.000 1.087 237 L CA 3.156 58.062 54.840 0.110 0.000 0.797 237 L CB -0.844 41.272 42.059 0.095 0.000 0.902 237 L HN 0.516 nan 8.230 nan 0.000 0.441 238 E N -0.045 120.192 120.200 0.061 0.000 2.048 238 E HA -0.321 4.029 4.350 -0.000 0.000 0.202 238 E C 2.062 178.673 176.600 0.018 0.000 1.021 238 E CA 2.013 58.435 56.400 0.037 0.000 0.825 238 E CB -1.323 28.389 29.700 0.021 0.000 0.756 238 E HN 0.652 nan 8.360 nan 0.000 0.454 239 L N -0.314 120.911 121.223 0.004 0.000 2.064 239 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 239 L C 3.048 179.905 176.870 -0.023 0.000 1.077 239 L CA 1.656 56.456 54.840 -0.067 0.000 0.766 239 L CB -0.569 41.489 42.059 -0.002 0.000 0.890 239 L HN 0.562 nan 8.230 nan 0.000 0.435 240 A N 0.004 122.927 122.820 0.173 0.000 1.865 240 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 240 A C 2.237 180.014 177.584 0.321 0.000 1.191 240 A CA 1.765 54.029 52.037 0.379 0.000 0.623 240 A CB -0.540 18.683 19.000 0.371 0.000 0.826 240 A HN 0.395 nan 8.150 nan 0.000 0.444 241 R N -0.431 120.165 120.500 0.160 0.000 2.122 241 R HA -0.258 4.082 4.340 -0.000 0.000 0.236 241 R C 2.356 178.698 176.300 0.069 0.000 1.129 241 R CA 2.004 58.160 56.100 0.093 0.000 0.925 241 R CB -0.808 29.526 30.300 0.056 0.000 0.850 241 R HN 0.727 nan 8.270 nan 0.000 0.431 242 Q N -0.293 119.508 119.800 0.003 0.000 2.248 242 Q HA -0.201 4.139 4.340 -0.000 0.000 0.208 242 Q C 1.853 177.853 176.000 0.001 0.000 0.984 242 Q CA 1.677 57.456 55.803 -0.040 0.000 0.875 242 Q CB -0.277 28.387 28.738 -0.125 0.000 0.910 242 Q HN 0.632 nan 8.270 nan 0.000 0.433 243 H N -0.268 118.869 119.070 0.112 0.000 2.372 243 H HA 0.001 4.557 4.556 -0.000 0.000 0.301 243 H C 1.970 177.381 175.328 0.139 0.000 1.065 243 H CA 0.809 56.943 56.048 0.144 0.000 1.364 243 H CB 0.242 30.136 29.762 0.221 0.000 1.406 243 H HN 0.145 nan 8.280 nan 0.000 0.521 244 I N 0.445 121.154 120.570 0.232 0.000 2.076 244 I HA -0.324 3.846 4.170 -0.000 0.000 0.237 244 I C 2.633 178.779 176.117 0.049 0.000 1.059 244 I CA 1.078 62.405 61.300 0.045 0.000 1.317 244 I CB -0.310 37.651 38.000 -0.066 0.000 1.037 244 I HN 0.336 nan 8.210 nan 0.000 0.398 245 A N 0.677 123.527 122.820 0.050 0.000 1.859 245 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 245 A C 2.448 180.042 177.584 0.016 0.000 1.198 245 A CA 2.335 54.394 52.037 0.037 0.000 0.629 245 A CB -1.253 17.768 19.000 0.034 0.000 0.830 245 A HN 0.534 nan 8.150 nan 0.000 0.446 246 A N -1.655 121.176 122.820 0.019 0.000 2.139 246 A HA -0.050 4.270 4.320 -0.000 0.000 0.221 246 A C 1.900 179.441 177.584 -0.073 0.000 1.159 246 A CA 1.803 53.826 52.037 -0.023 0.000 0.662 246 A CB -0.397 18.619 19.000 0.025 0.000 0.796 246 A HN 0.549 nan 8.150 nan 0.000 0.463 247 L N -1.471 119.743 121.223 -0.014 0.000 2.585 247 L HA 0.322 4.662 4.340 -0.000 0.000 0.226 247 L C 1.364 178.203 176.870 -0.052 0.000 1.113 247 L CA 1.103 55.920 54.840 -0.038 0.000 0.876 247 L CB -0.405 41.665 42.059 0.018 0.000 1.072 247 L HN 0.656 nan 8.230 nan 0.000 0.468 248 G N 0.947 109.740 108.800 -0.010 0.000 2.289 248 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 248 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 248 G C 0.518 175.508 174.900 0.150 0.000 1.089 248 G CA 0.130 45.273 45.100 0.070 0.000 0.939 248 G HN 0.277 nan 8.290 nan 0.000 0.499 249 R N -0.769 119.804 120.500 0.122 0.000 2.637 249 R HA 0.144 4.484 4.340 -0.000 0.000 0.446 249 R C -1.415 175.001 176.300 0.193 0.000 1.024 249 R CA -0.585 55.643 56.100 0.213 0.000 1.080 249 R CB 0.787 31.181 30.300 0.157 0.000 1.421 249 R HN 0.291 nan 8.270 nan 0.000 0.593 250 P HA -0.268 nan 4.420 nan 0.000 0.222 250 P C 0.762 178.093 177.300 0.050 0.000 1.155 250 P CA 1.755 64.898 63.100 0.072 0.000 0.890 250 P CB 0.100 31.833 31.700 0.055 0.000 0.790 251 D N -0.247 120.167 120.400 0.024 0.000 2.106 251 D HA -0.226 4.414 4.640 -0.000 0.000 0.191 251 D C 1.967 178.178 176.300 -0.149 0.000 0.997 251 D CA 1.289 55.227 54.000 -0.103 0.000 0.834 251 D CB -1.579 39.091 40.800 -0.217 0.000 0.956 251 D HN 0.220 nan 8.370 nan 0.000 0.448 252 F N 1.308 121.231 119.950 -0.044 0.000 2.202 252 F HA -0.180 4.347 4.527 0.000 0.000 0.301 252 F C 2.924 178.674 175.800 -0.084 0.000 1.082 252 F CA 1.094 59.044 58.000 -0.084 0.000 1.313 252 F CB -0.525 38.379 39.000 -0.161 0.000 1.024 252 F HN -0.116 nan 8.300 nan 0.000 0.495 253 S N -0.038 115.718 115.700 0.093 0.000 2.406 253 S HA -0.366 4.104 4.470 -0.000 0.000 0.242 253 S C 2.343 176.966 174.600 0.040 0.000 1.079 253 S CA 2.155 60.382 58.200 0.046 0.000 1.133 253 S CB -0.830 62.391 63.200 0.035 0.000 1.005 253 S HN 0.574 nan 8.310 nan 0.000 0.443 254 S N 0.435 116.148 115.700 0.022 0.000 2.440 254 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 254 S C 1.554 176.175 174.600 0.035 0.000 1.010 254 S CA 1.262 59.473 58.200 0.019 0.000 0.972 254 S CB -0.272 62.927 63.200 -0.002 0.000 0.774 254 S HN 0.508 nan 8.310 nan 0.000 0.501 255 K N 0.222 120.653 120.400 0.052 0.000 2.243 255 K HA 0.290 4.610 4.320 -0.000 0.000 0.201 255 K C 0.198 176.854 176.600 0.092 0.000 1.051 255 K CA 0.283 56.619 56.287 0.081 0.000 0.970 255 K CB -0.076 32.507 32.500 0.138 0.000 0.755 255 K HN 0.452 nan 8.250 nan 0.000 0.465 256 I N 3.134 123.752 120.570 0.079 0.000 2.494 256 I HA -0.054 4.116 4.170 -0.000 0.000 0.289 256 I C -0.438 175.737 176.117 0.097 0.000 1.106 256 I CA 0.527 61.879 61.300 0.087 0.000 1.369 256 I CB 0.189 38.232 38.000 0.072 0.000 1.410 256 I HN -0.029 nan 8.210 nan 0.000 0.523 257 K N 7.166 127.636 120.400 0.117 0.000 2.345 257 K HA 0.501 4.821 4.320 -0.000 0.000 0.255 257 K C -0.738 175.950 176.600 0.146 0.000 0.934 257 K CA -0.853 55.505 56.287 0.119 0.000 0.801 257 K CB 2.762 35.336 32.500 0.122 0.000 1.137 257 K HN 0.468 nan 8.250 nan 0.000 0.424 258 L N 3.493 124.790 121.223 0.124 0.000 2.360 258 L HA 0.266 4.606 4.340 -0.000 0.000 0.276 258 L C -0.874 176.095 176.870 0.165 0.000 1.121 258 L CA -0.448 54.474 54.840 0.136 0.000 0.845 258 L CB 0.235 42.347 42.059 0.088 0.000 1.143 258 L HN 0.625 nan 8.230 nan 0.000 0.452 259 Y N 4.232 124.585 120.300 0.088 0.000 2.304 259 Y HA 0.401 4.951 4.550 -0.000 0.000 0.328 259 Y C 0.126 176.057 175.900 0.052 0.000 1.123 259 Y CA -0.182 57.972 58.100 0.090 0.000 1.218 259 Y CB 1.143 39.682 38.460 0.133 0.000 1.207 259 Y HN 0.686 nan 8.280 nan 0.000 0.495 260 T N 2.887 117.080 114.554 -0.603 0.000 3.428 260 T HA 0.562 4.912 4.350 -0.000 0.000 0.301 260 T C -0.229 174.064 174.700 -0.677 0.000 1.323 260 T CA -0.395 61.428 62.100 -0.462 0.000 1.647 260 T CB -0.221 68.517 68.868 -0.215 0.000 0.871 260 T HN 0.909 nan 8.240 nan 0.000 0.627 261 G N -0.182 107.992 108.800 -1.044 0.000 2.432 261 G HA2 0.628 4.588 3.960 -0.000 0.000 0.331 261 G HA3 0.628 4.588 3.960 -0.000 0.000 0.331 261 G C 0.562 175.364 174.900 -0.164 0.000 1.170 261 G CA -0.272 44.493 45.100 -0.559 0.000 0.943 261 G HN 0.501 nan 8.290 nan 0.000 0.483 262 E N 1.112 121.255 120.200 -0.095 0.000 2.047 262 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 262 E C 1.302 177.923 176.600 0.037 0.000 0.987 262 E CA 0.497 56.882 56.400 -0.025 0.000 0.799 262 E CB -0.396 29.285 29.700 -0.031 0.000 0.752 262 E HN 0.574 nan 8.360 nan 0.000 0.449 263 I N 2.243 122.839 120.570 0.043 0.000 2.668 263 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 263 I C -2.195 174.040 176.117 0.197 0.000 1.168 263 I CA -1.700 59.656 61.300 0.093 0.000 1.424 263 I CB 1.229 39.271 38.000 0.070 0.000 1.377 263 I HN 0.143 nan 8.210 nan 0.000 0.560 264 P HA -0.055 nan 4.420 nan 0.000 0.268 264 P C 0.393 177.734 177.300 0.068 0.000 1.208 264 P CA -0.332 62.838 63.100 0.116 0.000 0.777 264 P CB 0.623 32.352 31.700 0.048 0.000 0.875 265 L N 3.545 124.732 121.223 -0.060 0.000 1.932 265 L HA -0.178 4.162 4.340 -0.000 0.000 0.217 265 L C 1.959 178.917 176.870 0.147 0.000 1.077 265 L CA 2.085 56.765 54.840 -0.266 0.000 0.765 265 L CB -1.601 40.337 42.059 -0.201 0.000 0.888 265 L HN 0.215 nan 8.230 nan 0.000 0.433 266 F N -0.201 119.720 119.950 -0.048 0.000 2.271 266 F HA -0.224 4.303 4.527 -0.000 0.000 0.302 266 F C 2.951 178.763 175.800 0.021 0.000 1.063 266 F CA 1.367 59.368 58.000 0.003 0.000 1.362 266 F CB -1.671 37.322 39.000 -0.012 0.000 1.060 266 F HN 0.254 nan 8.300 nan 0.000 0.521 267 S N -1.826 113.997 115.700 0.206 0.000 2.377 267 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 267 S C 2.163 176.830 174.600 0.112 0.000 1.030 267 S CA 0.643 58.922 58.200 0.132 0.000 0.970 267 S CB -0.447 62.814 63.200 0.102 0.000 0.830 267 S HN 0.549 nan 8.310 nan 0.000 0.473 268 H N -1.022 118.035 119.070 -0.022 0.000 2.321 268 H HA -0.094 4.462 4.556 -0.000 0.000 0.300 268 H C 0.980 176.174 175.328 -0.224 0.000 1.087 268 H CA 1.676 57.649 56.048 -0.124 0.000 1.319 268 H CB -0.180 29.476 29.762 -0.176 0.000 1.379 268 H HN 0.498 nan 8.280 nan 0.000 0.501 269 Y N 1.599 121.814 120.300 -0.142 0.000 2.584 269 Y HA -0.044 4.506 4.550 -0.000 0.000 0.317 269 Y C 0.554 176.376 175.900 -0.131 0.000 1.208 269 Y CA 0.108 58.089 58.100 -0.198 0.000 1.299 269 Y CB 0.035 38.391 38.460 -0.173 0.000 1.047 269 Y HN 0.264 nan 8.280 nan 0.000 0.506 270 Q N 0.324 120.128 119.800 0.007 0.000 2.452 270 Q HA -0.234 4.106 4.340 -0.000 0.000 0.318 270 Q C 0.552 176.561 176.000 0.016 0.000 1.386 270 Q CA 1.380 57.188 55.803 0.010 0.000 0.872 270 Q CB -2.171 26.556 28.738 -0.019 0.000 1.151 270 Q HN 0.881 nan 8.270 nan 0.000 0.417 271 I N -4.406 116.178 120.570 0.024 0.000 4.147 271 I HA 0.208 4.378 4.170 -0.000 0.000 0.329 271 I C 1.361 177.492 176.117 0.024 0.000 1.424 271 I CA -0.159 61.130 61.300 -0.018 0.000 1.127 271 I CB 0.423 38.345 38.000 -0.130 0.000 1.128 271 I HN -0.088 nan 8.210 nan 0.000 0.417 272 E N 2.088 122.333 120.200 0.076 0.000 2.158 272 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 272 E C 2.347 178.992 176.600 0.076 0.000 0.982 272 E CA 1.770 58.233 56.400 0.106 0.000 0.823 272 E CB 0.101 29.866 29.700 0.109 0.000 0.766 272 E HN 0.656 nan 8.360 nan 0.000 0.468 273 S N -0.058 115.673 115.700 0.052 0.000 2.368 273 S HA -0.268 4.202 4.470 -0.000 0.000 0.225 273 S C 1.976 176.607 174.600 0.052 0.000 1.030 273 S CA 1.296 59.523 58.200 0.046 0.000 0.999 273 S CB -0.423 62.796 63.200 0.031 0.000 0.844 273 S HN 0.310 nan 8.310 nan 0.000 0.459 274 Q N 0.823 120.644 119.800 0.035 0.000 2.084 274 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 274 Q C 2.369 178.396 176.000 0.044 0.000 0.978 274 Q CA 1.689 57.506 55.803 0.023 0.000 0.844 274 Q CB -0.473 28.261 28.738 -0.007 0.000 0.898 274 Q HN 0.598 nan 8.270 nan 0.000 0.426 275 I N 1.010 121.618 120.570 0.063 0.000 2.208 275 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 275 I C 2.137 178.393 176.117 0.232 0.000 1.097 275 I CA 1.111 62.483 61.300 0.120 0.000 1.363 275 I CB -0.658 37.442 38.000 0.166 0.000 1.051 275 I HN 0.263 nan 8.210 nan 0.000 0.413 276 E N 1.133 121.458 120.200 0.208 0.000 2.085 276 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 276 E C 2.312 179.086 176.600 0.290 0.000 0.994 276 E CA 1.789 58.356 56.400 0.278 0.000 0.801 276 E CB -0.384 29.386 29.700 0.116 0.000 0.743 276 E HN 0.569 nan 8.360 nan 0.000 0.453 277 S N 0.894 116.679 115.700 0.143 0.000 2.441 277 S HA -0.150 4.320 4.470 -0.000 0.000 0.242 277 S C 2.060 176.695 174.600 0.059 0.000 1.018 277 S CA 1.172 59.424 58.200 0.088 0.000 0.988 277 S CB -0.293 62.929 63.200 0.036 0.000 0.778 277 S HN 0.259 nan 8.310 nan 0.000 0.498 278 A N -0.245 122.595 122.820 0.033 0.000 2.225 278 A HA 0.238 4.558 4.320 -0.000 0.000 0.215 278 A C 1.467 178.876 177.584 -0.291 0.000 1.164 278 A CA 0.843 52.775 52.037 -0.176 0.000 0.710 278 A CB -0.739 18.071 19.000 -0.317 0.000 0.780 278 A HN 0.651 nan 8.150 nan 0.000 0.473 279 F N -1.058 118.906 119.950 0.022 0.000 2.746 279 F HA 0.189 4.716 4.527 -0.000 0.000 0.313 279 F C 1.006 176.830 175.800 0.040 0.000 1.095 279 F CA -0.264 57.773 58.000 0.061 0.000 1.224 279 F CB 0.283 39.341 39.000 0.095 0.000 1.060 279 F HN 0.140 nan 8.300 nan 0.000 0.584 280 Q N 0.336 120.236 119.800 0.167 0.000 2.312 280 Q HA 0.251 4.591 4.340 -0.000 0.000 0.236 280 Q C 1.347 177.364 176.000 0.029 0.000 0.965 280 Q CA -0.382 55.477 55.803 0.092 0.000 0.894 280 Q CB 1.281 30.060 28.738 0.068 0.000 1.225 280 Q HN 0.147 nan 8.270 nan 0.000 0.478 281 R N 0.671 121.180 120.500 0.016 0.000 2.140 281 R HA 0.027 4.367 4.340 -0.000 0.000 0.213 281 R C 0.025 176.315 176.300 -0.017 0.000 1.059 281 R CA 0.694 56.786 56.100 -0.013 0.000 1.000 281 R CB 0.455 30.748 30.300 -0.012 0.000 0.910 281 R HN 0.680 nan 8.270 nan 0.000 0.455 282 E N 0.166 120.364 120.200 -0.004 0.000 2.214 282 E HA 0.361 4.711 4.350 -0.000 0.000 0.274 282 E C -1.591 175.007 176.600 -0.003 0.000 0.977 282 E CA -0.855 55.540 56.400 -0.008 0.000 0.827 282 E CB 1.963 31.661 29.700 -0.003 0.000 1.130 282 E HN -0.002 nan 8.360 nan 0.000 0.394 283 V N 4.558 124.466 119.914 -0.010 0.000 2.567 283 V HA 0.331 4.451 4.120 -0.000 0.000 0.298 283 V C -0.263 175.827 176.094 -0.007 0.000 1.047 283 V CA -0.876 61.420 62.300 -0.006 0.000 0.880 283 V CB 1.554 33.368 31.823 -0.015 0.000 1.009 283 V HN 0.705 nan 8.190 nan 0.000 0.429 284 R N 3.662 124.162 120.500 -0.000 0.000 2.491 284 R HA 0.490 4.830 4.340 -0.000 0.000 0.283 284 R C -0.658 175.641 176.300 -0.002 0.000 1.072 284 R CA -0.193 55.907 56.100 0.000 0.000 1.048 284 R CB 0.890 31.193 30.300 0.004 0.000 0.983 284 R HN 0.554 nan 8.270 nan 0.000 0.450 285 L N 4.870 126.092 121.223 -0.002 0.000 2.375 285 L HA 0.273 4.613 4.340 -0.000 0.000 0.268 285 L C -1.284 175.586 176.870 -0.000 0.000 1.058 285 L CA -2.078 52.760 54.840 -0.003 0.000 0.803 285 L CB 0.768 42.825 42.059 -0.003 0.000 1.212 285 L HN 0.319 nan 8.230 nan 0.000 0.451 286 P HA -0.189 nan 4.420 nan 0.000 0.212 286 P C 1.190 178.493 177.300 0.004 0.000 1.174 286 P CA 1.388 64.489 63.100 0.002 0.000 0.934 286 P CB 0.126 31.826 31.700 0.000 0.000 0.791 287 S N -1.876 113.825 115.700 0.001 0.000 2.595 287 S HA 0.179 4.649 4.470 -0.000 0.000 0.235 287 S C 1.562 176.166 174.600 0.007 0.000 0.974 287 S CA 1.065 59.268 58.200 0.004 0.000 0.942 287 S CB -0.688 62.513 63.200 0.002 0.000 0.766 287 S HN 0.486 nan 8.310 nan 0.000 0.536 288 G N 0.484 109.288 108.800 0.007 0.000 2.612 288 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.200 288 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.200 288 G C 0.483 175.388 174.900 0.008 0.000 1.053 288 G CA -0.254 44.851 45.100 0.008 0.000 0.707 288 G HN 0.736 nan 8.290 nan 0.000 0.497 289 G N 0.246 109.052 108.800 0.009 0.000 2.486 289 G HA2 0.641 4.601 3.960 -0.000 0.000 0.272 289 G HA3 0.641 4.601 3.960 -0.000 0.000 0.272 289 G C 0.442 175.344 174.900 0.004 0.000 1.426 289 G CA 1.568 46.674 45.100 0.010 0.000 1.058 289 G HN 1.995 nan 8.290 nan 0.000 0.531 290 S N -2.105 113.595 115.700 0.001 0.000 2.636 290 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 290 S C -0.866 173.723 174.600 -0.018 0.000 1.159 290 S CA -0.555 57.641 58.200 -0.007 0.000 0.815 290 S CB 1.080 64.276 63.200 -0.006 0.000 1.130 290 S HN 1.393 nan 8.310 nan 0.000 0.471 291 I N -0.699 119.855 120.570 -0.028 0.000 2.569 291 I HA 0.905 5.075 4.170 -0.000 0.000 0.296 291 I C -1.310 174.780 176.117 -0.046 0.000 1.028 291 I CA -1.314 59.957 61.300 -0.048 0.000 1.082 291 I CB 2.053 40.015 38.000 -0.064 0.000 1.264 291 I HN 0.446 nan 8.210 nan 0.000 0.429 292 V N 6.372 126.253 119.914 -0.055 0.000 2.409 292 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 292 V C 0.067 176.122 176.094 -0.064 0.000 1.020 292 V CA -0.396 61.874 62.300 -0.049 0.000 0.848 292 V CB 1.580 33.379 31.823 -0.041 0.000 0.990 292 V HN 0.559 nan 8.190 nan 0.000 0.430 293 I N 4.052 124.585 120.570 -0.063 0.000 2.377 293 I HA 0.540 4.710 4.170 -0.000 0.000 0.293 293 I C -0.808 175.267 176.117 -0.070 0.000 0.987 293 I CA -0.298 60.958 61.300 -0.074 0.000 1.185 293 I CB 1.737 39.688 38.000 -0.081 0.000 1.341 293 I HN 0.502 nan 8.210 nan 0.000 0.455 294 D N 4.012 124.369 120.400 -0.071 0.000 2.863 294 D HA 0.301 4.941 4.640 -0.000 0.000 0.245 294 D C -0.751 175.509 176.300 -0.068 0.000 1.211 294 D CA -0.118 53.843 54.000 -0.064 0.000 0.888 294 D CB 2.445 43.212 40.800 -0.055 0.000 1.483 294 D HN 0.556 nan 8.370 nan 0.000 0.533 295 S N 0.918 116.576 115.700 -0.070 0.000 2.681 295 S HA 0.888 5.358 4.470 -0.000 0.000 0.299 295 S C -0.030 174.538 174.600 -0.055 0.000 1.113 295 S CA -0.331 57.828 58.200 -0.068 0.000 1.013 295 S CB 2.156 65.307 63.200 -0.081 0.000 1.076 295 S HN 0.499 nan 8.310 nan 0.000 0.534 296 T N -1.480 113.045 114.554 -0.049 0.000 2.769 296 T HA 0.442 4.792 4.350 -0.000 0.000 0.306 296 T C 0.567 175.246 174.700 -0.036 0.000 1.400 296 T CA -0.381 61.695 62.100 -0.040 0.000 1.007 296 T CB 1.141 69.985 68.868 -0.040 0.000 1.392 296 T HN 0.550 nan 8.240 nan 0.000 0.500 297 E N 1.142 121.324 120.200 -0.030 0.000 2.068 297 E HA -0.153 4.197 4.350 -0.000 0.000 0.207 297 E C 2.232 178.815 176.600 -0.028 0.000 1.032 297 E CA 2.847 59.232 56.400 -0.026 0.000 0.839 297 E CB -0.895 28.792 29.700 -0.022 0.000 0.758 297 E HN 0.809 nan 8.360 nan 0.000 0.457 298 A N -0.611 122.191 122.820 -0.029 0.000 1.855 298 A HA 0.214 4.534 4.320 -0.000 0.000 0.215 298 A C 0.697 178.261 177.584 -0.034 0.000 1.191 298 A CA 1.645 53.664 52.037 -0.030 0.000 0.613 298 A CB -0.378 18.604 19.000 -0.030 0.000 0.829 298 A HN 0.349 nan 8.150 nan 0.000 0.442 299 L N -5.430 115.770 121.223 -0.038 0.000 2.671 299 L HA 0.669 5.009 4.340 -0.000 0.000 0.259 299 L C -0.699 176.142 176.870 -0.049 0.000 1.021 299 L CA -0.608 54.207 54.840 -0.042 0.000 0.871 299 L CB 1.217 43.253 42.059 -0.039 0.000 1.472 299 L HN -0.151 nan 8.230 nan 0.000 0.410 300 T N 0.760 115.282 114.554 -0.054 0.000 2.922 300 T HA 0.846 5.196 4.350 -0.000 0.000 0.285 300 T C -0.271 174.390 174.700 -0.065 0.000 1.005 300 T CA 0.169 62.232 62.100 -0.063 0.000 1.061 300 T CB 1.422 70.249 68.868 -0.069 0.000 1.007 300 T HN 0.984 nan 8.240 nan 0.000 0.502 301 A N 2.940 125.718 122.820 -0.070 0.000 2.375 301 A HA 0.740 5.060 4.320 -0.000 0.000 0.295 301 A C -0.715 176.816 177.584 -0.088 0.000 1.066 301 A CA -0.706 51.286 52.037 -0.075 0.000 0.722 301 A CB 0.690 19.651 19.000 -0.065 0.000 1.206 301 A HN 0.803 nan 8.150 nan 0.000 0.435 302 I N 1.652 122.154 120.570 -0.113 0.000 2.493 302 I HA 0.483 4.653 4.170 -0.000 0.000 0.298 302 I C -0.558 175.468 176.117 -0.152 0.000 0.998 302 I CA -0.510 60.710 61.300 -0.133 0.000 1.137 302 I CB 2.193 40.093 38.000 -0.167 0.000 1.310 302 I HN 0.768 nan 8.210 nan 0.000 0.445 303 D N 5.403 125.727 120.400 -0.126 0.000 2.531 303 D HA 0.694 5.334 4.640 -0.000 0.000 0.244 303 D C -1.253 174.986 176.300 -0.102 0.000 1.090 303 D CA -0.374 53.562 54.000 -0.107 0.000 0.989 303 D CB 2.222 42.983 40.800 -0.065 0.000 1.433 303 D HN 0.352 nan 8.370 nan 0.000 0.492 304 I N 1.964 122.492 120.570 -0.070 0.000 2.586 304 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 304 I C -1.089 175.025 176.117 -0.004 0.000 1.147 304 I CA -0.918 60.355 61.300 -0.045 0.000 1.047 304 I CB 1.789 39.757 38.000 -0.054 0.000 1.244 304 I HN 0.268 nan 8.210 nan 0.000 0.429 305 N N 3.739 122.439 118.700 0.002 0.000 2.314 305 N HA 0.333 5.073 4.740 -0.000 0.000 0.304 305 N C -0.565 174.958 175.510 0.021 0.000 1.073 305 N CA -0.498 52.560 53.050 0.013 0.000 0.822 305 N CB 2.609 41.100 38.487 0.006 0.000 1.280 305 N HN 0.580 nan 8.380 nan 0.000 0.489 306 S N 0.376 116.093 115.700 0.029 0.000 2.624 306 S HA 0.514 4.984 4.470 -0.000 0.000 0.263 306 S C 0.912 175.525 174.600 0.022 0.000 1.287 306 S CA -0.000 58.218 58.200 0.030 0.000 0.990 306 S CB 1.105 64.327 63.200 0.038 0.000 0.950 306 S HN 0.638 nan 8.310 nan 0.000 0.561 307 A N 3.492 126.325 122.820 0.021 0.000 1.972 307 A HA 0.523 4.843 4.320 -0.000 0.000 0.219 307 A C 1.664 179.258 177.584 0.017 0.000 1.467 307 A CA 0.863 52.910 52.037 0.016 0.000 0.631 307 A CB -1.602 17.407 19.000 0.015 0.000 1.143 307 A HN 1.275 nan 8.150 nan 0.000 0.502 315 I N 2.028 122.625 120.570 0.045 0.000 2.045 315 I HA -0.200 3.970 4.170 -0.000 0.000 0.233 315 I C 2.234 178.397 176.117 0.077 0.000 1.048 315 I CA 1.006 62.339 61.300 0.054 0.000 1.313 315 I CB -0.059 37.967 38.000 0.044 0.000 1.043 315 I HN 0.626 nan 8.210 nan 0.000 0.393 316 E N 0.238 120.484 120.200 0.075 0.000 2.197 316 E HA -0.355 3.995 4.350 -0.000 0.000 0.205 316 E C 1.861 178.562 176.600 0.169 0.000 1.029 316 E CA 2.064 58.529 56.400 0.109 0.000 0.828 316 E CB 0.018 29.757 29.700 0.066 0.000 0.737 316 E HN 0.327 nan 8.360 nan 0.000 0.464 317 E N -0.174 120.107 120.200 0.135 0.000 1.999 317 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 317 E C 1.912 178.605 176.600 0.156 0.000 0.995 317 E CA 2.212 58.705 56.400 0.154 0.000 0.825 317 E CB -0.781 28.983 29.700 0.105 0.000 0.777 317 E HN 0.100 nan 8.360 nan 0.000 0.459 318 T N 1.028 115.644 114.554 0.103 0.000 2.572 318 T HA -0.369 3.981 4.350 -0.000 0.000 0.258 318 T C 1.793 176.550 174.700 0.095 0.000 1.154 318 T CA 2.818 64.967 62.100 0.080 0.000 1.157 318 T CB -1.127 67.780 68.868 0.064 0.000 0.856 318 T HN 0.443 nan 8.240 nan 0.000 0.443 319 A N 0.727 123.619 122.820 0.119 0.000 1.903 319 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 319 A C 2.056 179.734 177.584 0.157 0.000 1.191 319 A CA 2.150 54.267 52.037 0.134 0.000 0.638 319 A CB -1.046 18.044 19.000 0.150 0.000 0.823 319 A HN 0.485 nan 8.150 nan 0.000 0.451 320 F N 1.485 121.418 119.950 -0.028 0.000 2.075 320 F HA -0.171 4.356 4.527 0.000 0.000 0.297 320 F C 2.233 177.964 175.800 -0.115 0.000 1.113 320 F CA 1.818 59.725 58.000 -0.155 0.000 1.218 320 F CB -0.528 38.248 39.000 -0.375 0.000 0.984 320 F HN 0.428 nan 8.300 nan 0.000 0.472 321 N N -0.534 118.124 118.700 -0.070 0.000 2.142 321 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 321 N C 1.630 177.054 175.510 -0.143 0.000 1.023 321 N CA 2.142 55.085 53.050 -0.179 0.000 0.852 321 N CB -0.305 38.154 38.487 -0.047 0.000 0.998 321 N HN 0.304 nan 8.380 nan 0.000 0.424 322 T N 1.616 116.143 114.554 -0.046 0.000 2.652 322 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 322 T C 1.648 176.349 174.700 0.001 0.000 1.039 322 T CA 1.098 63.192 62.100 -0.011 0.000 1.153 322 T CB -0.406 68.480 68.868 0.030 0.000 0.863 322 T HN 0.296 nan 8.240 nan 0.000 0.428 323 N N 1.200 119.912 118.700 0.019 0.000 2.137 323 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 323 N C 1.848 177.349 175.510 -0.015 0.000 1.017 323 N CA 0.890 54.006 53.050 0.110 0.000 0.859 323 N CB -0.572 37.936 38.487 0.035 0.000 1.002 323 N HN 0.357 nan 8.380 nan 0.000 0.428 324 L N 1.517 122.604 121.223 -0.226 0.000 1.994 324 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 324 L C 2.244 179.046 176.870 -0.112 0.000 1.071 324 L CA 1.238 55.922 54.840 -0.260 0.000 0.745 324 L CB -0.455 41.341 42.059 -0.439 0.000 0.892 324 L HN 0.207 nan 8.230 nan 0.000 0.431 325 E N 0.343 120.492 120.200 -0.086 0.000 2.049 325 E HA -0.306 4.044 4.350 -0.000 0.000 0.198 325 E C 2.247 178.848 176.600 0.001 0.000 1.007 325 E CA 1.438 57.815 56.400 -0.039 0.000 0.809 325 E CB -0.372 29.310 29.700 -0.029 0.000 0.749 325 E HN 0.543 nan 8.360 nan 0.000 0.450 326 A N 1.717 124.561 122.820 0.040 0.000 1.948 326 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 326 A C 2.446 180.093 177.584 0.106 0.000 1.177 326 A CA 1.982 54.061 52.037 0.070 0.000 0.636 326 A CB -0.652 18.418 19.000 0.116 0.000 0.815 326 A HN 0.319 nan 8.150 nan 0.000 0.449 327 A N -0.002 122.918 122.820 0.167 0.000 1.858 327 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 327 A C 1.837 179.453 177.584 0.053 0.000 1.190 327 A CA 1.814 53.951 52.037 0.166 0.000 0.617 327 A CB -0.638 18.421 19.000 0.098 0.000 0.827 327 A HN 0.466 nan 8.150 nan 0.000 0.443 328 D N -0.555 119.850 120.400 0.008 0.000 2.106 328 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 328 D C 1.922 178.210 176.300 -0.021 0.000 0.997 328 D CA 1.817 55.805 54.000 -0.021 0.000 0.834 328 D CB -0.392 40.384 40.800 -0.039 0.000 0.956 328 D HN 0.515 nan 8.370 nan 0.000 0.448 329 E N 0.839 121.029 120.200 -0.017 0.000 2.038 329 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 329 E C 2.260 178.844 176.600 -0.026 0.000 1.000 329 E CA 0.746 57.132 56.400 -0.024 0.000 0.803 329 E CB -0.530 29.157 29.700 -0.022 0.000 0.750 329 E HN 0.300 nan 8.360 nan 0.000 0.448 330 I N 0.342 120.899 120.570 -0.022 0.000 2.236 330 I HA -0.365 3.805 4.170 -0.000 0.000 0.249 330 I C 2.297 178.399 176.117 -0.026 0.000 1.102 330 I CA 1.214 62.493 61.300 -0.034 0.000 1.365 330 I CB -0.436 37.542 38.000 -0.037 0.000 1.051 330 I HN 0.213 nan 8.210 nan 0.000 0.420 331 A N 1.581 124.394 122.820 -0.012 0.000 1.877 331 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 331 A C 2.312 179.887 177.584 -0.015 0.000 1.186 331 A CA 2.083 54.114 52.037 -0.011 0.000 0.620 331 A CB -0.564 18.430 19.000 -0.009 0.000 0.822 331 A HN 0.539 nan 8.150 nan 0.000 0.443 332 R N -1.159 119.330 120.500 -0.019 0.000 2.090 332 R HA -0.047 4.293 4.340 -0.000 0.000 0.228 332 R C 1.909 178.191 176.300 -0.030 0.000 1.110 332 R CA 1.447 57.539 56.100 -0.013 0.000 0.973 332 R CB -0.508 29.786 30.300 -0.009 0.000 0.869 332 R HN 0.341 nan 8.270 nan 0.000 0.440 333 Q N 1.173 120.948 119.800 -0.042 0.000 2.152 333 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 333 Q C 2.251 178.212 176.000 -0.066 0.000 0.985 333 Q CA 1.549 57.316 55.803 -0.061 0.000 0.863 333 Q CB -0.360 28.340 28.738 -0.064 0.000 0.904 333 Q HN 0.461 nan 8.270 nan 0.000 0.422 334 L N -0.074 121.119 121.223 -0.051 0.000 2.043 334 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 334 L C 2.689 179.530 176.870 -0.047 0.000 1.075 334 L CA 1.431 56.242 54.840 -0.049 0.000 0.752 334 L CB -0.292 41.746 42.059 -0.034 0.000 0.891 334 L HN 0.224 nan 8.230 nan 0.000 0.432 335 R N -0.302 120.177 120.500 -0.034 0.000 2.052 335 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 335 R C 2.327 178.594 176.300 -0.055 0.000 1.145 335 R CA 0.940 57.024 56.100 -0.026 0.000 0.952 335 R CB -0.342 29.962 30.300 0.007 0.000 0.847 335 R HN 0.245 nan 8.270 nan 0.000 0.431 336 L N 0.396 121.577 121.223 -0.070 0.000 2.051 336 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 336 L C 1.977 178.761 176.870 -0.142 0.000 1.076 336 L CA 1.583 56.361 54.840 -0.104 0.000 0.758 336 L CB -0.420 41.576 42.059 -0.104 0.000 0.890 336 L HN 0.148 nan 8.230 nan 0.000 0.433 337 R N -0.232 120.181 120.500 -0.146 0.000 2.335 337 R HA 0.023 4.363 4.340 -0.000 0.000 0.223 337 R C -0.209 176.013 176.300 -0.131 0.000 0.940 337 R CA -0.141 55.851 56.100 -0.180 0.000 1.086 337 R CB -0.273 29.919 30.300 -0.180 0.000 1.073 337 R HN 0.173 nan 8.270 nan 0.000 0.504 338 D N 1.663 122.005 120.400 -0.096 0.000 2.829 338 D HA -0.209 4.431 4.640 -0.000 0.000 0.219 338 D C -0.748 175.512 176.300 -0.066 0.000 1.239 338 D CA 1.042 55.001 54.000 -0.067 0.000 0.685 338 D CB -0.403 40.363 40.800 -0.057 0.000 0.950 338 D HN 0.319 nan 8.370 nan 0.000 0.398 339 L N 0.454 121.637 121.223 -0.067 0.000 2.305 339 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 339 L C 1.384 178.224 176.870 -0.051 0.000 1.085 339 L CA -0.127 54.674 54.840 -0.065 0.000 0.813 339 L CB 1.620 43.636 42.059 -0.072 0.000 1.157 339 L HN 0.137 nan 8.230 nan 0.000 0.436 340 G N 0.883 109.654 108.800 -0.050 0.000 2.658 340 G HA2 0.675 4.635 3.960 -0.000 0.000 0.292 340 G HA3 0.675 4.635 3.960 -0.000 0.000 0.292 340 G C -0.234 174.640 174.900 -0.043 0.000 1.320 340 G CA -0.088 44.987 45.100 -0.043 0.000 0.933 340 G HN 0.939 nan 8.290 nan 0.000 0.476 341 G N -1.161 107.615 108.800 -0.040 0.000 2.553 341 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.242 341 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.242 341 G C 0.033 174.912 174.900 -0.035 0.000 1.277 341 G CA -0.123 44.954 45.100 -0.039 0.000 0.910 341 G HN 1.000 nan 8.290 nan 0.000 0.576 342 L N 0.448 121.651 121.223 -0.034 0.000 2.417 342 L HA 0.648 4.988 4.340 -0.000 0.000 0.268 342 L C 0.544 177.392 176.870 -0.036 0.000 1.158 342 L CA -0.196 54.626 54.840 -0.031 0.000 0.819 342 L CB 0.690 42.732 42.059 -0.027 0.000 1.112 342 L HN 0.482 nan 8.230 nan 0.000 0.458 343 I N 2.453 123.003 120.570 -0.034 0.000 2.656 343 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 343 I C -1.034 175.059 176.117 -0.039 0.000 1.144 343 I CA -0.675 60.599 61.300 -0.043 0.000 1.038 343 I CB 2.505 40.477 38.000 -0.046 0.000 1.244 343 I HN 0.133 nan 8.210 nan 0.000 0.420 344 V N 6.566 126.449 119.914 -0.052 0.000 2.443 344 V HA 0.492 4.612 4.120 -0.000 0.000 0.293 344 V C -0.202 175.842 176.094 -0.083 0.000 1.021 344 V CA -0.328 61.944 62.300 -0.047 0.000 0.848 344 V CB 2.011 33.810 31.823 -0.039 0.000 0.998 344 V HN 0.465 nan 8.190 nan 0.000 0.424 345 I N 3.529 124.037 120.570 -0.104 0.000 2.412 345 I HA 0.405 4.575 4.170 -0.000 0.000 0.296 345 I C -0.378 175.612 176.117 -0.212 0.000 0.987 345 I CA -0.373 60.782 61.300 -0.243 0.000 1.180 345 I CB 1.912 39.651 38.000 -0.435 0.000 1.340 345 I HN 0.601 nan 8.210 nan 0.000 0.455 346 D N 5.928 126.189 120.400 -0.233 0.000 2.485 346 D HA 0.319 4.959 4.640 -0.000 0.000 0.256 346 D C -0.586 175.648 176.300 -0.109 0.000 1.141 346 D CA -0.336 53.606 54.000 -0.098 0.000 0.942 346 D CB 0.270 41.040 40.800 -0.051 0.000 1.003 346 D HN 0.078 nan 8.370 nan 0.000 0.507 347 F N 2.142 122.111 119.950 0.031 0.000 2.496 347 F HA 0.196 4.723 4.527 0.000 0.000 0.344 347 F C 1.529 177.354 175.800 0.042 0.000 1.155 347 F CA -0.390 57.629 58.000 0.031 0.000 1.302 347 F CB 0.431 39.455 39.000 0.039 0.000 1.159 347 F HN 0.171 nan 8.300 nan 0.000 0.595 348 I N 1.662 122.384 120.570 0.252 0.000 3.058 348 I HA -0.157 4.013 4.170 -0.000 0.000 0.299 348 I C 0.557 176.784 176.117 0.183 0.000 1.238 348 I CA 0.545 61.947 61.300 0.171 0.000 1.423 348 I CB 0.129 38.218 38.000 0.148 0.000 1.330 348 I HN 0.557 nan 8.210 nan 0.000 0.589 349 D N 7.011 127.493 120.400 0.136 0.000 2.256 349 D HA 0.364 5.004 4.640 -0.000 0.000 0.250 349 D C -1.033 175.338 176.300 0.117 0.000 1.093 349 D CA -0.247 53.827 54.000 0.123 0.000 0.882 349 D CB 1.018 41.874 40.800 0.094 0.000 1.185 349 D HN 0.314 nan 8.370 nan 0.000 0.437 350 M N 2.443 122.113 119.600 0.117 0.000 2.326 350 M HA 0.165 4.645 4.480 -0.000 0.000 0.306 350 M C 1.375 177.704 176.300 0.048 0.000 1.054 350 M CA -0.814 54.557 55.300 0.118 0.000 0.922 350 M CB 2.253 34.977 32.600 0.207 0.000 1.632 350 M HN 0.343 nan 8.290 nan 0.000 0.436 351 T N -0.885 113.669 114.554 0.000 0.000 2.668 351 T HA 0.070 4.420 4.350 -0.000 0.000 0.262 351 T C -1.488 173.153 174.700 -0.098 0.000 1.045 351 T CA 0.527 62.599 62.100 -0.046 0.000 1.152 351 T CB -1.842 66.995 68.868 -0.052 0.000 0.864 351 T HN 0.399 nan 8.240 nan 0.000 0.419 352 P HA 0.240 nan 4.420 nan 0.000 0.260 352 P C 0.935 178.123 177.300 -0.188 0.000 1.207 352 P CA 0.042 62.962 63.100 -0.301 0.000 0.780 352 P CB 0.561 31.819 31.700 -0.737 0.000 0.789 353 V N 5.044 124.892 119.914 -0.110 0.000 2.380 353 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 353 V C 2.565 178.643 176.094 -0.026 0.000 1.063 353 V CA 2.421 64.691 62.300 -0.049 0.000 1.055 353 V CB -0.940 30.858 31.823 -0.042 0.000 0.657 353 V HN 0.643 nan 8.190 nan 0.000 0.455 354 R N -0.297 120.164 120.500 -0.064 0.000 2.113 354 R HA -0.277 4.063 4.340 -0.000 0.000 0.244 354 R C 2.142 178.496 176.300 0.090 0.000 1.142 354 R CA 2.414 58.508 56.100 -0.011 0.000 0.953 354 R CB -1.094 29.177 30.300 -0.048 0.000 0.860 354 R HN 0.477 nan 8.270 nan 0.000 0.438 355 H N 1.123 120.099 119.070 -0.157 0.000 2.357 355 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 355 H C 2.195 177.579 175.328 0.092 0.000 1.108 355 H CA 2.041 58.030 56.048 -0.098 0.000 1.273 355 H CB -0.441 29.198 29.762 -0.205 0.000 1.367 355 H HN 0.510 nan 8.280 nan 0.000 0.498 356 Q N -0.208 119.686 119.800 0.156 0.000 2.226 356 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 356 Q C 2.104 178.139 176.000 0.057 0.000 0.975 356 Q CA 0.737 56.588 55.803 0.080 0.000 0.866 356 Q CB 0.198 28.973 28.738 0.062 0.000 0.915 356 Q HN 0.354 nan 8.270 nan 0.000 0.440 357 R N 0.217 120.766 120.500 0.082 0.000 2.090 357 R HA 0.113 4.453 4.340 -0.000 0.000 0.219 357 R C 2.236 178.574 176.300 0.063 0.000 1.100 357 R CA 0.943 57.086 56.100 0.071 0.000 0.991 357 R CB -0.623 29.720 30.300 0.073 0.000 0.893 357 R HN 0.205 nan 8.270 nan 0.000 0.443 358 A N 1.157 124.053 122.820 0.127 0.000 1.903 358 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 358 A C 2.432 180.023 177.584 0.011 0.000 1.191 358 A CA 2.061 54.185 52.037 0.145 0.000 0.638 358 A CB -0.715 18.541 19.000 0.426 0.000 0.823 358 A HN 0.096 nan 8.150 nan 0.000 0.451 359 V N 0.411 120.303 119.914 -0.037 0.000 2.283 359 V HA -0.249 3.871 4.120 -0.000 0.000 0.243 359 V C 2.396 178.336 176.094 -0.256 0.000 1.039 359 V CA 2.137 64.278 62.300 -0.264 0.000 1.016 359 V CB -1.047 30.479 31.823 -0.494 0.000 0.650 359 V HN 0.761 nan 8.190 nan 0.000 0.449 360 E N 0.621 120.712 120.200 -0.182 0.000 2.147 360 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 360 E C 1.942 178.505 176.600 -0.062 0.000 1.005 360 E CA 1.595 57.938 56.400 -0.095 0.000 0.810 360 E CB -0.411 29.258 29.700 -0.052 0.000 0.736 360 E HN 0.588 nan 8.360 nan 0.000 0.460 361 N N 0.757 119.429 118.700 -0.046 0.000 2.080 361 N HA -0.114 4.626 4.740 -0.000 0.000 0.189 361 N C 1.766 177.254 175.510 -0.037 0.000 1.036 361 N CA 0.606 53.639 53.050 -0.029 0.000 0.846 361 N CB -0.292 38.191 38.487 -0.006 0.000 1.015 361 N HN 0.017 nan 8.380 nan 0.000 0.423 362 R N 1.606 122.072 120.500 -0.057 0.000 2.162 362 R HA -0.175 4.165 4.340 -0.000 0.000 0.245 362 R C 2.194 178.470 176.300 -0.040 0.000 1.129 362 R CA 1.190 57.251 56.100 -0.065 0.000 0.940 362 R CB -1.315 28.916 30.300 -0.115 0.000 0.875 362 R HN 0.272 nan 8.270 nan 0.000 0.437 363 L N 1.427 122.632 121.223 -0.030 0.000 1.978 363 L HA -0.239 4.101 4.340 -0.000 0.000 0.218 363 L C 2.506 179.375 176.870 -0.001 0.000 1.075 363 L CA 2.058 56.906 54.840 0.014 0.000 0.767 363 L CB -0.541 41.556 42.059 0.063 0.000 0.890 363 L HN 0.174 nan 8.230 nan 0.000 0.434 364 R N -0.904 119.587 120.500 -0.014 0.000 2.096 364 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 364 R C 2.193 178.482 176.300 -0.017 0.000 1.139 364 R CA 1.688 57.777 56.100 -0.018 0.000 0.952 364 R CB -0.806 29.479 30.300 -0.025 0.000 0.854 364 R HN 0.455 nan 8.270 nan 0.000 0.436 365 E N 0.486 120.675 120.200 -0.019 0.000 2.038 365 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 365 E C 1.975 178.563 176.600 -0.021 0.000 1.000 365 E CA 1.113 57.501 56.400 -0.019 0.000 0.803 365 E CB -0.424 29.264 29.700 -0.020 0.000 0.750 365 E HN 0.587 nan 8.360 nan 0.000 0.448 366 A N 0.450 123.258 122.820 -0.021 0.000 2.125 366 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 366 A C 2.215 179.787 177.584 -0.021 0.000 1.156 366 A CA 1.539 53.560 52.037 -0.025 0.000 0.671 366 A CB -0.504 18.482 19.000 -0.023 0.000 0.794 366 A HN 0.576 nan 8.150 nan 0.000 0.459 367 V N -4.967 114.939 119.914 -0.014 0.000 3.271 367 V HA 0.487 4.607 4.120 -0.000 0.000 0.327 367 V C 1.825 177.913 176.094 -0.012 0.000 1.389 367 V CA 0.782 63.076 62.300 -0.010 0.000 1.156 367 V CB -1.002 30.818 31.823 -0.006 0.000 1.103 367 V HN 0.456 nan 8.190 nan 0.000 0.453 368 R N 0.828 121.318 120.500 -0.017 0.000 2.090 368 R HA -0.077 4.263 4.340 -0.000 0.000 0.228 368 R C 2.331 178.622 176.300 -0.015 0.000 1.110 368 R CA 2.052 58.142 56.100 -0.017 0.000 0.973 368 R CB -1.369 28.920 30.300 -0.018 0.000 0.869 368 R HN 0.930 nan 8.270 nan 0.000 0.440 369 Q N 0.556 120.346 119.800 -0.016 0.000 2.230 369 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 369 Q C 0.744 176.756 176.000 0.020 0.000 0.963 369 Q CA 0.552 56.352 55.803 -0.006 0.000 0.866 369 Q CB -0.963 27.758 28.738 -0.029 0.000 0.931 369 Q HN 0.702 nan 8.270 nan 0.000 0.452 370 D N 0.663 121.076 120.400 0.021 0.000 2.583 370 D HA -0.046 4.594 4.640 -0.000 0.000 0.232 370 D C 0.720 177.026 176.300 0.010 0.000 1.128 370 D CA 0.314 54.332 54.000 0.030 0.000 0.859 370 D CB 0.478 41.286 40.800 0.014 0.000 1.169 370 D HN 0.324 nan 8.370 nan 0.000 0.481 371 R N 1.974 122.483 120.500 0.014 0.000 2.236 371 R HA 0.056 4.396 4.340 -0.000 0.000 0.208 371 R C 0.514 176.800 176.300 -0.024 0.000 1.036 371 R CA 0.236 56.318 56.100 -0.029 0.000 1.001 371 R CB 0.190 30.448 30.300 -0.070 0.000 0.896 371 R HN 0.400 nan 8.270 nan 0.000 0.464 372 A N 1.220 124.035 122.820 -0.008 0.000 2.322 372 A HA 0.297 4.617 4.320 -0.000 0.000 0.269 372 A C -0.314 177.259 177.584 -0.018 0.000 1.094 372 A CA -0.396 51.633 52.037 -0.014 0.000 0.807 372 A CB 0.403 19.398 19.000 -0.010 0.000 1.047 372 A HN 0.199 nan 8.150 nan 0.000 0.487 373 R N 0.663 121.150 120.500 -0.022 0.000 2.421 373 R HA 0.337 4.677 4.340 -0.000 0.000 0.305 373 R C -0.715 175.573 176.300 -0.020 0.000 1.039 373 R CA 0.574 56.661 56.100 -0.022 0.000 1.003 373 R CB 0.092 30.378 30.300 -0.023 0.000 0.959 373 R HN 0.626 nan 8.270 nan 0.000 0.427 374 I N 2.116 122.675 120.570 -0.019 0.000 2.693 374 I HA 0.259 4.429 4.170 -0.000 0.000 0.303 374 I C -0.136 175.969 176.117 -0.019 0.000 1.025 374 I CA -0.776 60.514 61.300 -0.018 0.000 1.086 374 I CB 2.102 40.092 38.000 -0.016 0.000 1.268 374 I HN 0.400 nan 8.210 nan 0.000 0.440 375 Q N 4.698 124.487 119.800 -0.019 0.000 2.292 375 Q HA 0.598 4.938 4.340 -0.000 0.000 0.270 375 Q C -1.073 174.912 176.000 -0.024 0.000 1.024 375 Q CA -0.459 55.331 55.803 -0.022 0.000 0.768 375 Q CB 3.043 31.770 28.738 -0.018 0.000 1.250 375 Q HN 0.507 nan 8.270 nan 0.000 0.447 376 I N 0.214 120.762 120.570 -0.036 0.000 3.775 376 I HA 0.637 4.807 4.170 -0.000 0.000 0.272 376 I C 0.101 176.170 176.117 -0.081 0.000 1.292 376 I CA -0.681 60.593 61.300 -0.042 0.000 1.050 376 I CB 1.875 39.849 38.000 -0.042 0.000 1.422 376 I HN 0.622 nan 8.210 nan 0.000 0.561 377 S N -0.742 114.886 115.700 -0.120 0.000 2.686 377 S HA 0.257 4.727 4.470 -0.000 0.000 0.273 377 S C -1.357 173.147 174.600 -0.161 0.000 1.060 377 S CA -0.908 57.184 58.200 -0.180 0.000 0.845 377 S CB 0.686 63.867 63.200 -0.031 0.000 1.086 377 S HN 0.563 nan 8.310 nan 0.000 0.461 378 H N 1.413 120.509 119.070 0.043 0.000 2.607 378 H HA 0.415 4.971 4.556 0.000 0.000 0.367 378 H C 0.271 175.638 175.328 0.065 0.000 1.181 378 H CA 0.045 56.119 56.048 0.043 0.000 1.402 378 H CB 0.355 30.134 29.762 0.029 0.000 1.474 378 H HN 0.546 nan 8.280 nan 0.000 0.596 379 I N 2.329 123.013 120.570 0.190 0.000 2.587 379 I HA -0.101 4.069 4.170 -0.000 0.000 0.284 379 I C 1.325 177.528 176.117 0.143 0.000 1.134 379 I CA 0.027 61.425 61.300 0.163 0.000 1.410 379 I CB 0.367 38.450 38.000 0.139 0.000 1.392 379 I HN 0.574 nan 8.210 nan 0.000 0.545 380 S N 6.706 122.495 115.700 0.149 0.000 2.606 380 S HA 0.063 4.533 4.470 -0.000 0.000 0.257 380 S C 1.254 175.895 174.600 0.068 0.000 1.327 380 S CA -0.481 57.797 58.200 0.131 0.000 0.984 380 S CB 0.640 63.969 63.200 0.215 0.000 0.941 380 S HN 0.811 nan 8.310 nan 0.000 0.576 381 R N -0.598 119.874 120.500 -0.046 0.000 2.316 381 R HA 0.115 4.455 4.340 -0.000 0.000 0.202 381 R C 0.910 177.059 176.300 -0.253 0.000 1.029 381 R CA 1.027 57.014 56.100 -0.188 0.000 1.018 381 R CB -0.679 29.429 30.300 -0.320 0.000 0.888 381 R HN 0.624 nan 8.270 nan 0.000 0.471 382 F N 0.702 120.674 119.950 0.036 0.000 2.765 382 F HA 0.336 4.863 4.527 0.000 0.000 0.302 382 F C 1.557 177.385 175.800 0.047 0.000 1.111 382 F CA 0.602 58.623 58.000 0.034 0.000 1.359 382 F CB 0.832 39.848 39.000 0.028 0.000 1.097 382 F HN 0.323 nan 8.300 nan 0.000 0.577 383 G N 0.906 109.824 108.800 0.198 0.000 2.141 383 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 383 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 383 G C 0.063 175.079 174.900 0.192 0.000 0.982 383 G CA -0.331 44.873 45.100 0.174 0.000 0.662 383 G HN 0.221 nan 8.290 nan 0.000 0.527 384 L N 0.274 121.614 121.223 0.196 0.000 2.334 384 L HA 0.723 5.063 4.340 -0.000 0.000 0.277 384 L C 0.487 177.453 176.870 0.160 0.000 1.075 384 L CA -0.845 54.086 54.840 0.151 0.000 0.804 384 L CB 1.742 43.869 42.059 0.114 0.000 1.174 384 L HN 0.189 nan 8.230 nan 0.000 0.438 385 L N 3.249 124.561 121.223 0.149 0.000 2.325 385 L HA 0.433 4.773 4.340 -0.000 0.000 0.281 385 L C -0.542 176.377 176.870 0.081 0.000 1.004 385 L CA -0.390 54.543 54.840 0.155 0.000 0.823 385 L CB 1.543 43.771 42.059 0.282 0.000 1.236 385 L HN 0.646 nan 8.230 nan 0.000 0.415 386 E N 6.503 126.742 120.200 0.065 0.000 2.231 386 E HA 0.544 4.894 4.350 -0.000 0.000 0.277 386 E C -0.616 175.996 176.600 0.021 0.000 0.999 386 E CA -0.546 55.872 56.400 0.031 0.000 0.827 386 E CB 2.077 31.795 29.700 0.030 0.000 1.101 386 E HN 0.622 nan 8.360 nan 0.000 0.393 387 M N -0.617 118.985 119.600 0.004 0.000 2.755 387 M HA 0.632 5.112 4.480 -0.000 0.000 0.273 387 M C -1.374 174.919 176.300 -0.013 0.000 1.278 387 M CA -0.852 54.447 55.300 -0.003 0.000 0.819 387 M CB 2.412 35.013 32.600 0.001 0.000 1.694 387 M HN 0.418 nan 8.290 nan 0.000 0.460 388 S N 0.625 116.315 115.700 -0.016 0.000 2.540 388 S HA 0.801 5.271 4.470 -0.000 0.000 0.275 388 S C -1.294 173.293 174.600 -0.022 0.000 1.123 388 S CA -0.861 57.326 58.200 -0.021 0.000 0.907 388 S CB 2.360 65.548 63.200 -0.019 0.000 1.081 388 S HN 1.086 nan 8.310 nan 0.000 0.476 389 R N 1.940 122.424 120.500 -0.026 0.000 2.564 389 R HA 0.372 4.712 4.340 -0.000 0.000 0.284 389 R C -0.895 175.388 176.300 -0.029 0.000 1.031 389 R CA -0.465 55.620 56.100 -0.026 0.000 0.904 389 R CB 1.648 31.932 30.300 -0.026 0.000 1.199 389 R HN 0.911 nan 8.270 nan 0.000 0.443 390 Q N 4.386 124.170 119.800 -0.028 0.000 2.332 390 Q HA 0.117 4.457 4.340 -0.000 0.000 0.263 390 Q C -0.800 175.181 176.000 -0.031 0.000 0.979 390 Q CA -0.106 55.678 55.803 -0.031 0.000 0.885 390 Q CB 0.861 29.581 28.738 -0.030 0.000 1.218 390 Q HN 0.533 nan 8.270 nan 0.000 0.405 391 R N 4.103 124.581 120.500 -0.037 0.000 2.474 391 R HA 0.016 4.356 4.340 -0.000 0.000 0.339 391 R C 0.812 177.094 176.300 -0.029 0.000 1.033 391 R CA 0.028 56.106 56.100 -0.035 0.000 0.997 391 R CB 0.158 30.433 30.300 -0.042 0.000 0.963 391 R HN 0.709 nan 8.270 nan 0.000 0.438 392 L N 0.795 122.006 121.223 -0.020 0.000 2.049 392 L HA -0.032 4.308 4.340 -0.000 0.000 0.203 392 L C 1.083 177.947 176.870 -0.010 0.000 1.074 392 L CA 1.004 55.838 54.840 -0.011 0.000 0.749 392 L CB -0.258 41.804 42.059 0.005 0.000 0.907 392 L HN 0.621 nan 8.230 nan 0.000 0.439 393 S N -2.273 113.419 115.700 -0.013 0.000 2.794 393 S HA 0.616 5.086 4.470 -0.000 0.000 0.299 393 S C -2.778 171.810 174.600 -0.020 0.000 1.179 393 S CA -1.268 56.924 58.200 -0.014 0.000 0.838 393 S CB 1.168 64.362 63.200 -0.011 0.000 1.206 393 S HN -0.203 nan 8.310 nan 0.000 0.523 394 P HA 0.370 nan 4.420 nan 0.000 0.274 394 P C -0.528 176.756 177.300 -0.026 0.000 1.246 394 P CA -0.413 62.677 63.100 -0.017 0.000 0.795 394 P CB 0.515 32.213 31.700 -0.004 0.000 1.006 395 S N 0.603 116.283 115.700 -0.035 0.000 2.654 395 S HA 0.296 4.766 4.470 -0.000 0.000 0.283 395 S C 1.351 175.919 174.600 -0.054 0.000 1.180 395 S CA -0.797 57.368 58.200 -0.059 0.000 1.021 395 S CB 0.269 63.423 63.200 -0.076 0.000 1.018 395 S HN 0.308 nan 8.310 nan 0.000 0.532 396 L N 1.410 122.575 121.223 -0.096 0.000 2.026 396 L HA -0.236 4.104 4.340 -0.000 0.000 0.231 396 L C 2.802 179.677 176.870 0.009 0.000 1.095 396 L CA 2.245 57.035 54.840 -0.083 0.000 0.810 396 L CB -1.488 40.408 42.059 -0.272 0.000 0.909 396 L HN 1.027 nan 8.230 nan 0.000 0.444 397 G N -1.420 107.289 108.800 -0.152 0.000 2.462 397 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 397 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 397 G C 1.450 176.354 174.900 0.007 0.000 1.121 397 G CA 0.930 45.911 45.100 -0.198 0.000 0.758 397 G HN 0.391 nan 8.290 nan 0.000 0.559 398 E N -0.076 120.128 120.200 0.006 0.000 2.230 398 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 398 E C 2.822 179.463 176.600 0.068 0.000 0.987 398 E CA 1.045 57.464 56.400 0.032 0.000 0.841 398 E CB 0.222 29.926 29.700 0.007 0.000 0.783 398 E HN 0.693 nan 8.360 nan 0.000 0.481 399 S N -1.317 114.431 115.700 0.081 0.000 2.559 399 S HA 0.175 4.645 4.470 -0.000 0.000 0.226 399 S C 0.993 175.668 174.600 0.125 0.000 1.000 399 S CA 0.079 58.330 58.200 0.084 0.000 0.948 399 S CB 0.632 63.864 63.200 0.054 0.000 0.870 399 S HN 0.142 nan 8.310 nan 0.000 0.497 400 S N 0.260 116.085 115.700 0.209 0.000 3.088 400 S HA 0.391 4.861 4.470 -0.000 0.000 0.249 400 S C -0.889 173.772 174.600 0.101 0.000 0.877 400 S CA -0.583 57.733 58.200 0.194 0.000 1.184 400 S CB 0.160 63.522 63.200 0.269 0.000 1.170 400 S HN 0.600 nan 8.310 nan 0.000 0.603 401 H N 1.274 120.388 119.070 0.072 0.000 2.977 401 H HA 0.669 5.225 4.556 -0.000 0.000 0.350 401 H C -0.367 174.977 175.328 0.026 0.000 1.238 401 H CA -0.758 55.282 56.048 -0.013 0.000 1.124 401 H CB 1.126 30.868 29.762 -0.033 0.000 1.866 401 H HN 0.347 nan 8.280 nan 0.000 0.550 402 H N -1.372 117.785 119.070 0.144 0.000 2.946 402 H HA 0.447 5.003 4.556 0.000 0.000 0.365 402 H C -1.039 174.338 175.328 0.081 0.000 1.197 402 H CA -1.157 54.942 56.048 0.085 0.000 1.131 402 H CB 0.340 30.129 29.762 0.044 0.000 1.849 402 H HN 0.300 nan 8.280 nan 0.000 0.555 403 V N 1.572 121.586 119.914 0.166 0.000 2.458 403 V HA -0.122 3.998 4.120 -0.000 0.000 0.287 403 V C 1.495 177.663 176.094 0.123 0.000 1.009 403 V CA -0.254 62.105 62.300 0.098 0.000 1.091 403 V CB -0.438 31.438 31.823 0.088 0.000 0.960 403 V HN 0.887 nan 8.190 nan 0.000 0.476 404 C N 9.681 129.015 119.300 0.056 0.000 2.298 404 C HA 0.073 4.533 4.460 -0.000 0.000 0.395 404 C C -0.213 174.839 174.990 0.102 0.000 1.526 404 C CA -0.449 58.610 59.018 0.068 0.000 1.458 404 C CB -0.158 27.604 27.740 0.035 0.000 2.506 404 C HN 0.880 nan 8.230 nan 0.000 0.604 405 P HA 0.075 nan 4.420 nan 0.000 0.255 405 P C 1.219 178.596 177.300 0.129 0.000 1.248 405 P CA 0.433 63.603 63.100 0.116 0.000 0.807 405 P CB 0.049 31.806 31.700 0.094 0.000 1.150 406 R N 1.615 122.180 120.500 0.108 0.000 2.072 406 R HA -0.039 4.301 4.340 -0.000 0.000 0.221 406 R C 0.747 177.108 176.300 0.101 0.000 1.166 406 R CA 1.556 57.724 56.100 0.113 0.000 0.917 406 R CB -1.434 28.909 30.300 0.071 0.000 0.815 406 R HN 0.275 nan 8.270 nan 0.000 0.444 407 C N -0.005 119.325 119.300 0.050 0.000 2.595 407 C HA 0.518 4.978 4.460 -0.000 0.000 0.384 407 C C 0.465 175.474 174.990 0.033 0.000 1.289 407 C CA -0.700 58.327 59.018 0.014 0.000 2.372 407 C CB 1.102 28.845 27.740 0.005 0.000 2.593 407 C HN 0.531 nan 8.230 nan 0.000 0.639 408 S N 0.919 116.627 115.700 0.013 0.000 2.489 408 S HA 0.551 5.021 4.470 -0.000 0.000 0.237 408 S C 1.151 175.763 174.600 0.020 0.000 1.220 408 S CA 0.292 58.513 58.200 0.036 0.000 1.231 408 S CB -0.058 63.167 63.200 0.042 0.000 0.900 408 S HN 1.816 nan 8.310 nan 0.000 0.492 409 G N 1.868 110.677 108.800 0.015 0.000 2.352 409 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.204 409 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.204 409 G C 1.184 176.080 174.900 -0.007 0.000 1.004 409 G CA 0.423 45.526 45.100 0.004 0.000 0.648 409 G HN 0.643 nan 8.290 nan 0.000 0.491 410 T N -0.477 114.070 114.554 -0.011 0.000 2.915 410 T HA 0.319 4.669 4.350 -0.000 0.000 0.269 410 T C 2.676 177.366 174.700 -0.016 0.000 1.071 410 T CA 2.311 64.400 62.100 -0.018 0.000 1.132 410 T CB -0.478 68.375 68.868 -0.024 0.000 0.878 410 T HN 2.365 nan 8.240 nan 0.000 0.479 411 G N 1.097 109.890 108.800 -0.010 0.000 2.168 411 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 411 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 411 G C 0.321 175.215 174.900 -0.010 0.000 0.977 411 G CA 0.973 46.068 45.100 -0.009 0.000 0.659 411 G HN 1.410 nan 8.290 nan 0.000 0.533 412 T N -3.279 111.267 114.554 -0.013 0.000 2.896 412 T HA 0.746 5.096 4.350 -0.000 0.000 0.297 412 T C -0.760 173.929 174.700 -0.018 0.000 1.108 412 T CA -0.441 61.650 62.100 -0.014 0.000 1.004 412 T CB 3.067 71.924 68.868 -0.018 0.000 1.159 412 T HN 0.843 nan 8.240 nan 0.000 0.499 413 V N 1.392 121.296 119.914 -0.016 0.000 2.604 413 V HA 0.557 4.677 4.120 -0.000 0.000 0.305 413 V C 0.306 176.387 176.094 -0.023 0.000 1.043 413 V CA -1.150 61.138 62.300 -0.020 0.000 0.888 413 V CB 1.803 33.620 31.823 -0.010 0.000 0.995 413 V HN 0.985 nan 8.190 nan 0.000 0.429 414 R N 3.280 123.764 120.500 -0.028 0.000 2.421 414 R HA 0.093 4.433 4.340 -0.000 0.000 0.305 414 R C -0.191 176.088 176.300 -0.035 0.000 1.039 414 R CA -0.468 55.615 56.100 -0.029 0.000 1.003 414 R CB 0.127 30.412 30.300 -0.025 0.000 0.959 414 R HN 0.703 nan 8.270 nan 0.000 0.427 415 D N 3.049 123.424 120.400 -0.042 0.000 2.461 415 D HA -0.143 4.497 4.640 -0.000 0.000 0.231 415 D C 0.801 177.046 176.300 -0.092 0.000 1.208 415 D CA 0.673 54.638 54.000 -0.058 0.000 0.879 415 D CB 0.510 41.275 40.800 -0.058 0.000 1.220 415 D HN 0.623 nan 8.370 nan 0.000 0.480 416 N N 0.513 119.138 118.700 -0.125 0.000 2.039 416 N HA -0.177 4.563 4.740 -0.000 0.000 0.193 416 N C 1.337 176.647 175.510 -0.333 0.000 1.044 416 N CA 1.068 54.005 53.050 -0.189 0.000 0.847 416 N CB 0.094 38.470 38.487 -0.185 0.000 1.030 416 N HN 0.375 nan 8.380 nan 0.000 0.422 417 E N 0.696 120.601 120.200 -0.492 0.000 2.035 417 E HA -0.230 4.120 4.350 -0.000 0.000 0.204 417 E C 1.961 178.404 176.600 -0.262 0.000 1.025 417 E CA 1.208 57.233 56.400 -0.624 0.000 0.835 417 E CB -0.808 28.644 29.700 -0.413 0.000 0.764 417 E HN 0.142 nan 8.360 nan 0.000 0.457 418 S N -0.135 115.472 115.700 -0.156 0.000 2.381 418 S HA -0.233 4.237 4.470 -0.000 0.000 0.230 418 S C 1.828 176.384 174.600 -0.074 0.000 1.052 418 S CA 1.560 59.710 58.200 -0.083 0.000 1.068 418 S CB -0.371 62.794 63.200 -0.059 0.000 0.918 418 S HN 0.253 nan 8.310 nan 0.000 0.448 419 L N 1.245 122.416 121.223 -0.087 0.000 2.141 419 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 419 L C 2.331 179.153 176.870 -0.079 0.000 1.094 419 L CA 2.042 56.849 54.840 -0.055 0.000 0.763 419 L CB -0.952 41.090 42.059 -0.029 0.000 0.908 419 L HN 0.289 nan 8.230 nan 0.000 0.437 420 S N -0.539 115.097 115.700 -0.106 0.000 2.345 420 S HA -0.079 4.391 4.470 -0.000 0.000 0.219 420 S C 1.918 176.512 174.600 -0.010 0.000 1.031 420 S CA 1.319 59.488 58.200 -0.052 0.000 0.984 420 S CB -0.471 62.713 63.200 -0.026 0.000 0.874 420 S HN 0.413 nan 8.310 nan 0.000 0.451 421 L N 1.477 122.707 121.223 0.012 0.000 2.043 421 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 421 L C 2.786 179.649 176.870 -0.012 0.000 1.075 421 L CA 1.413 56.270 54.840 0.029 0.000 0.752 421 L CB -0.713 41.365 42.059 0.032 0.000 0.891 421 L HN 0.360 nan 8.230 nan 0.000 0.432 422 S N 0.323 116.004 115.700 -0.032 0.000 2.369 422 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 422 S C 1.933 176.483 174.600 -0.083 0.000 1.043 422 S CA 1.852 60.027 58.200 -0.042 0.000 1.074 422 S CB -0.253 62.926 63.200 -0.034 0.000 0.962 422 S HN 0.324 nan 8.310 nan 0.000 0.433 423 I N 1.126 121.606 120.570 -0.151 0.000 2.226 423 I HA -0.125 4.045 4.170 -0.000 0.000 0.245 423 I C 2.465 178.505 176.117 -0.129 0.000 1.100 423 I CA 0.881 62.033 61.300 -0.248 0.000 1.374 423 I CB -0.886 36.909 38.000 -0.341 0.000 1.057 423 I HN 0.354 nan 8.210 nan 0.000 0.413 424 L N 1.641 122.825 121.223 -0.064 0.000 1.978 424 L HA -0.261 4.079 4.340 -0.000 0.000 0.218 424 L C 2.699 179.553 176.870 -0.027 0.000 1.075 424 L CA 2.011 56.835 54.840 -0.027 0.000 0.767 424 L CB -0.825 41.238 42.059 0.007 0.000 0.890 424 L HN 0.118 nan 8.230 nan 0.000 0.434 425 R N -1.288 119.198 120.500 -0.024 0.000 2.091 425 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 425 R C 2.128 178.416 176.300 -0.021 0.000 1.136 425 R CA 1.520 57.610 56.100 -0.016 0.000 0.959 425 R CB -0.755 29.538 30.300 -0.011 0.000 0.856 425 R HN 0.325 nan 8.270 nan 0.000 0.437 426 L N 1.253 122.455 121.223 -0.035 0.000 2.012 426 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 426 L C 1.905 178.761 176.870 -0.024 0.000 1.073 426 L CA 1.631 56.454 54.840 -0.028 0.000 0.748 426 L CB -0.551 41.479 42.059 -0.047 0.000 0.891 426 L HN 0.181 nan 8.230 nan 0.000 0.431 427 I N -0.457 120.092 120.570 -0.035 0.000 2.127 427 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 427 I C 2.548 178.659 176.117 -0.011 0.000 1.075 427 I CA 1.838 63.126 61.300 -0.020 0.000 1.334 427 I CB -0.345 37.644 38.000 -0.018 0.000 1.040 427 I HN 0.408 nan 8.210 nan 0.000 0.405 428 E N 0.989 121.183 120.200 -0.010 0.000 2.097 428 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 428 E C 2.049 178.646 176.600 -0.005 0.000 1.000 428 E CA 1.586 57.983 56.400 -0.005 0.000 0.804 428 E CB 0.008 29.706 29.700 -0.004 0.000 0.740 428 E HN 0.448 nan 8.360 nan 0.000 0.454 429 E N 0.020 120.217 120.200 -0.006 0.000 2.058 429 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 429 E C 2.158 178.755 176.600 -0.005 0.000 0.997 429 E CA 1.175 57.572 56.400 -0.004 0.000 0.801 429 E CB -0.025 29.673 29.700 -0.002 0.000 0.746 429 E HN 0.292 nan 8.360 nan 0.000 0.450 430 E N 0.135 120.332 120.200 -0.006 0.000 2.150 430 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 430 E C 1.987 178.580 176.600 -0.011 0.000 0.985 430 E CA 0.776 57.171 56.400 -0.010 0.000 0.814 430 E CB -0.101 29.592 29.700 -0.012 0.000 0.752 430 E HN 0.215 nan 8.360 nan 0.000 0.466 431 A N 0.918 123.733 122.820 -0.008 0.000 2.019 431 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 431 A C 2.094 179.675 177.584 -0.005 0.000 1.164 431 A CA 0.915 52.948 52.037 -0.006 0.000 0.644 431 A CB -0.264 18.735 19.000 -0.002 0.000 0.805 431 A HN 0.116 nan 8.150 nan 0.000 0.449 432 L N -0.073 121.147 121.223 -0.005 0.000 2.109 432 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 432 L C 0.955 177.822 176.870 -0.004 0.000 1.086 432 L CA 1.057 55.895 54.840 -0.004 0.000 0.760 432 L CB -0.839 41.218 42.059 -0.003 0.000 0.910 432 L HN 0.309 nan 8.230 nan 0.000 0.437 433 K N 1.699 122.095 120.400 -0.006 0.000 2.550 433 K HA 0.107 4.427 4.320 -0.000 0.000 0.280 433 K C 0.567 177.163 176.600 -0.006 0.000 0.987 433 K CA 0.371 56.654 56.287 -0.006 0.000 1.048 433 K CB -0.090 32.405 32.500 -0.008 0.000 0.879 433 K HN 0.292 nan 8.250 nan 0.000 0.491 434 E N 2.255 122.452 120.200 -0.004 0.000 2.415 434 E HA -0.059 4.291 4.350 -0.000 0.000 0.262 434 E C 0.493 177.090 176.600 -0.005 0.000 1.038 434 E CA 0.156 56.554 56.400 -0.004 0.000 0.921 434 E CB 0.067 29.765 29.700 -0.003 0.000 0.950 434 E HN 0.775 nan 8.360 nan 0.000 0.438 435 N N -0.418 118.279 118.700 -0.004 0.000 2.882 435 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 435 N C -0.436 175.069 175.510 -0.008 0.000 1.079 435 N CA 1.311 54.358 53.050 -0.005 0.000 0.800 435 N CB -1.555 36.929 38.487 -0.004 0.000 1.124 435 N HN 0.615 nan 8.380 nan 0.000 0.557 436 T N 0.217 114.766 114.554 -0.009 0.000 2.806 436 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 436 T C 1.054 175.747 174.700 -0.011 0.000 0.966 436 T CA -0.231 61.860 62.100 -0.015 0.000 1.060 436 T CB 1.881 70.739 68.868 -0.017 0.000 0.927 436 T HN 0.215 nan 8.240 nan 0.000 0.485 437 Q N 2.105 121.897 119.800 -0.014 0.000 2.388 437 Q HA 0.200 4.540 4.340 -0.000 0.000 0.204 437 Q C -0.007 175.994 176.000 0.003 0.000 0.946 437 Q CA 1.048 56.850 55.803 -0.002 0.000 0.880 437 Q CB 0.656 29.397 28.738 0.005 0.000 0.997 437 Q HN 0.819 nan 8.270 nan 0.000 0.552 438 E N -1.046 119.142 120.200 -0.019 0.000 2.429 438 E HA 0.537 4.887 4.350 -0.000 0.000 0.276 438 E C -1.695 174.842 176.600 -0.106 0.000 0.953 438 E CA -1.001 55.393 56.400 -0.010 0.000 0.787 438 E CB 2.461 32.215 29.700 0.090 0.000 1.307 438 E HN -0.034 nan 8.360 nan 0.000 0.458 439 V N 0.891 120.782 119.914 -0.038 0.000 2.531 439 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 439 V C -1.665 174.483 176.094 0.091 0.000 1.034 439 V CA -0.359 61.899 62.300 -0.069 0.000 0.865 439 V CB 1.229 33.041 31.823 -0.018 0.000 0.995 439 V HN 0.744 nan 8.190 nan 0.000 0.424 440 H N 5.726 124.815 119.070 0.032 0.000 2.551 440 H HA 0.749 5.305 4.556 -0.000 0.000 0.321 440 H C 0.149 175.502 175.328 0.042 0.000 1.028 440 H CA -0.282 55.795 56.048 0.049 0.000 1.215 440 H CB 1.851 31.671 29.762 0.096 0.000 1.414 440 H HN 0.969 nan 8.280 nan 0.000 0.480 441 A N 5.074 127.994 122.820 0.165 0.000 2.260 441 A HA 0.423 4.743 4.320 -0.000 0.000 0.308 441 A C -0.208 177.458 177.584 0.137 0.000 1.254 441 A CA -0.530 51.577 52.037 0.115 0.000 0.874 441 A CB 0.084 19.111 19.000 0.045 0.000 1.153 441 A HN 0.711 nan 8.150 nan 0.000 0.527 442 I N 3.850 124.528 120.570 0.180 0.000 2.362 442 I HA 0.525 4.695 4.170 -0.000 0.000 0.289 442 I C -0.388 175.855 176.117 0.209 0.000 0.994 442 I CA -0.614 60.791 61.300 0.174 0.000 1.158 442 I CB 1.684 39.783 38.000 0.166 0.000 1.315 442 I HN 0.575 nan 8.210 nan 0.000 0.451 443 V N 4.719 124.730 119.914 0.162 0.000 3.178 443 V HA 0.625 4.745 4.120 -0.000 0.000 0.302 443 V C -2.923 173.252 176.094 0.135 0.000 1.262 443 V CA -2.325 60.077 62.300 0.171 0.000 1.030 443 V CB 2.080 33.971 31.823 0.113 0.000 1.074 443 V HN 0.382 nan 8.190 nan 0.000 0.438 444 P HA 0.082 nan 4.420 nan 0.000 0.267 444 P C 1.092 178.443 177.300 0.085 0.000 1.195 444 P CA 0.461 63.625 63.100 0.108 0.000 0.773 444 P CB 0.620 32.384 31.700 0.107 0.000 0.837 445 V N 5.272 125.228 119.914 0.071 0.000 2.219 445 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 445 V C -0.559 175.575 176.094 0.067 0.000 1.053 445 V CA 2.737 65.075 62.300 0.063 0.000 1.009 445 V CB -2.132 29.721 31.823 0.051 0.000 0.636 445 V HN 0.756 nan 8.190 nan 0.000 0.445 446 P HA -0.137 nan 4.420 nan 0.000 0.219 446 P C 1.752 179.107 177.300 0.091 0.000 1.146 446 P CA 1.431 64.573 63.100 0.070 0.000 0.808 446 P CB -0.130 31.601 31.700 0.051 0.000 0.779 447 I N 0.945 121.560 120.570 0.074 0.000 2.099 447 I HA -0.222 3.948 4.170 -0.000 0.000 0.239 447 I C 2.609 178.793 176.117 0.112 0.000 1.066 447 I CA 1.542 62.890 61.300 0.081 0.000 1.324 447 I CB -2.109 35.924 38.000 0.055 0.000 1.037 447 I HN -0.047 nan 8.210 nan 0.000 0.401 448 A N 0.349 123.221 122.820 0.087 0.000 1.903 448 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 448 A C 2.649 180.281 177.584 0.079 0.000 1.191 448 A CA 2.805 54.888 52.037 0.076 0.000 0.638 448 A CB -1.166 17.875 19.000 0.068 0.000 0.823 448 A HN 0.481 nan 8.150 nan 0.000 0.451 449 S N -2.007 113.745 115.700 0.086 0.000 2.359 449 S HA -0.265 4.205 4.470 -0.000 0.000 0.223 449 S C 1.913 176.565 174.600 0.088 0.000 1.039 449 S CA 2.007 60.254 58.200 0.078 0.000 1.042 449 S CB -0.599 62.652 63.200 0.084 0.000 0.915 449 S HN 0.655 nan 8.310 nan 0.000 0.439 450 Y N 1.615 121.920 120.300 0.008 0.000 2.145 450 Y HA 0.017 4.567 4.550 -0.000 0.000 0.286 450 Y C 2.138 178.037 175.900 -0.001 0.000 1.145 450 Y CA 1.828 59.930 58.100 0.003 0.000 1.148 450 Y CB -0.347 38.114 38.460 0.001 0.000 0.981 450 Y HN 0.249 nan 8.280 nan 0.000 0.507 451 L N -0.389 120.920 121.223 0.144 0.000 2.131 451 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 451 L C 1.603 178.463 176.870 -0.016 0.000 1.092 451 L CA 1.153 56.026 54.840 0.056 0.000 0.759 451 L CB -0.391 41.706 42.059 0.063 0.000 0.903 451 L HN 0.299 nan 8.230 nan 0.000 0.435 452 L N -1.133 120.084 121.223 -0.009 0.000 2.700 452 L HA 0.127 4.467 4.340 -0.000 0.000 0.234 452 L C 1.167 178.011 176.870 -0.043 0.000 1.156 452 L CA -0.171 54.658 54.840 -0.018 0.000 0.946 452 L CB -0.139 41.924 42.059 0.007 0.000 1.216 452 L HN 0.289 nan 8.230 nan 0.000 0.493 453 N N -0.743 117.903 118.700 -0.089 0.000 3.379 453 N HA 0.021 4.761 4.740 -0.000 0.000 0.197 453 N C 1.002 176.404 175.510 -0.179 0.000 1.350 453 N CA -0.103 52.884 53.050 -0.106 0.000 1.140 453 N CB 0.178 38.616 38.487 -0.081 0.000 1.164 453 N HN -0.105 nan 8.380 nan 0.000 0.627 454 E N 1.439 121.460 120.200 -0.299 0.000 2.217 454 E HA -0.180 4.170 4.350 -0.000 0.000 0.219 454 E C 0.418 176.808 176.600 -0.349 0.000 1.070 454 E CA 1.680 57.816 56.400 -0.440 0.000 0.889 454 E CB 0.079 29.170 29.700 -1.015 0.000 0.768 454 E HN 0.124 nan 8.360 nan 0.000 0.465 455 K N -0.005 120.203 120.400 -0.320 0.000 2.576 455 K HA 0.184 4.504 4.320 -0.000 0.000 0.209 455 K C 1.043 177.590 176.600 -0.087 0.000 1.049 455 K CA -0.052 56.139 56.287 -0.160 0.000 1.140 455 K CB 0.442 32.886 32.500 -0.094 0.000 0.871 455 K HN 0.059 nan 8.250 nan 0.000 0.479 456 R N 0.945 121.393 120.500 -0.087 0.000 2.070 456 R HA -0.124 4.216 4.340 -0.000 0.000 0.233 456 R C 1.614 177.893 176.300 -0.036 0.000 1.137 456 R CA 2.191 58.260 56.100 -0.051 0.000 0.945 456 R CB 0.088 30.360 30.300 -0.047 0.000 0.845 456 R HN 0.143 nan 8.270 nan 0.000 0.430 457 S N 1.168 116.845 115.700 -0.038 0.000 2.359 457 S HA -0.246 4.224 4.470 -0.000 0.000 0.223 457 S C 2.183 176.771 174.600 -0.021 0.000 1.039 457 S CA 1.255 59.439 58.200 -0.027 0.000 1.042 457 S CB -0.742 62.441 63.200 -0.028 0.000 0.915 457 S HN 0.545 nan 8.310 nan 0.000 0.439 458 A N 2.222 125.027 122.820 -0.024 0.000 1.863 458 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 458 A C 2.482 180.060 177.584 -0.011 0.000 1.233 458 A CA 2.497 54.525 52.037 -0.016 0.000 0.655 458 A CB -1.543 17.448 19.000 -0.015 0.000 0.839 458 A HN 0.454 nan 8.150 nan 0.000 0.454 459 V N 0.737 120.644 119.914 -0.012 0.000 2.380 459 V HA -0.317 3.803 4.120 -0.000 0.000 0.251 459 V C 2.323 178.415 176.094 -0.004 0.000 1.063 459 V CA 2.180 64.477 62.300 -0.005 0.000 1.055 459 V CB -1.303 30.518 31.823 -0.004 0.000 0.657 459 V HN 0.544 nan 8.190 nan 0.000 0.455 460 N N 0.829 119.524 118.700 -0.008 0.000 2.006 460 N HA -0.191 4.549 4.740 -0.000 0.000 0.196 460 N C 2.051 177.559 175.510 -0.004 0.000 1.057 460 N CA 2.085 55.132 53.050 -0.006 0.000 0.853 460 N CB -0.932 37.549 38.487 -0.009 0.000 1.051 460 N HN 0.455 nan 8.380 nan 0.000 0.423 461 A N 2.059 124.876 122.820 -0.006 0.000 1.893 461 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 461 A C 2.372 179.955 177.584 -0.002 0.000 1.309 461 A CA 2.216 54.250 52.037 -0.004 0.000 0.681 461 A CB -1.329 17.668 19.000 -0.005 0.000 0.842 461 A HN 0.390 nan 8.150 nan 0.000 0.468 462 I N -1.027 119.542 120.570 -0.002 0.000 2.181 462 I HA -0.353 3.817 4.170 -0.000 0.000 0.247 462 I C 2.617 178.735 176.117 0.002 0.000 1.081 462 I CA 2.254 63.554 61.300 -0.000 0.000 1.340 462 I CB -0.532 37.468 38.000 0.001 0.000 1.036 462 I HN 0.532 nan 8.210 nan 0.000 0.417 463 E N -0.139 120.062 120.200 0.002 0.000 2.112 463 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 463 E C 2.210 178.811 176.600 0.003 0.000 0.979 463 E CA 1.679 58.081 56.400 0.004 0.000 0.814 463 E CB 0.045 29.748 29.700 0.006 0.000 0.762 463 E HN 0.590 nan 8.360 nan 0.000 0.460 464 T N -0.957 113.597 114.554 0.001 0.000 2.857 464 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 464 T C 1.860 176.560 174.700 0.000 0.000 1.048 464 T CA 0.543 62.644 62.100 0.000 0.000 1.139 464 T CB 0.051 68.918 68.868 -0.001 0.000 0.874 464 T HN -0.031 nan 8.240 nan 0.000 0.455 465 R N 0.560 121.060 120.500 -0.000 0.000 2.072 465 R HA 0.090 4.430 4.340 -0.000 0.000 0.221 465 R C 1.383 177.683 176.300 0.000 0.000 1.166 465 R CA 1.020 57.120 56.100 -0.000 0.000 0.917 465 R CB -0.271 30.029 30.300 -0.001 0.000 0.815 465 R HN 0.334 nan 8.270 nan 0.000 0.444 466 Q N 1.815 121.615 119.800 0.000 0.000 2.634 466 Q HA 0.105 4.445 4.340 -0.000 0.000 0.222 466 Q C 0.364 176.365 176.000 0.002 0.000 1.004 466 Q CA 0.996 56.799 55.803 0.001 0.000 0.965 466 Q CB -1.817 26.921 28.738 0.000 0.000 1.586 466 Q HN 0.554 nan 8.270 nan 0.000 0.409 467 D N 0.007 120.408 120.400 0.002 0.000 3.287 467 D HA -0.231 4.409 4.640 -0.000 0.000 0.177 467 D C 0.854 177.157 176.300 0.004 0.000 1.205 467 D CA 1.130 55.131 54.000 0.002 0.000 1.054 467 D CB -1.363 39.438 40.800 0.002 0.000 0.550 467 D HN 0.563 nan 8.370 nan 0.000 0.595 468 G N -0.770 108.033 108.800 0.004 0.000 3.392 468 G HA2 0.462 4.422 3.960 -0.000 0.000 0.247 468 G HA3 0.462 4.422 3.960 -0.000 0.000 0.247 468 G C 0.029 174.934 174.900 0.008 0.000 1.161 468 G CA 0.956 46.059 45.100 0.006 0.000 1.739 468 G HN 1.261 nan 8.290 nan 0.000 0.619 469 V N 1.668 121.588 119.914 0.009 0.000 2.357 469 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 469 V C 0.117 176.222 176.094 0.020 0.000 1.018 469 V CA -1.131 61.176 62.300 0.012 0.000 0.841 469 V CB 1.269 33.095 31.823 0.006 0.000 0.991 469 V HN 0.326 nan 8.190 nan 0.000 0.437 470 R N 2.784 123.303 120.500 0.031 0.000 2.347 470 R HA 0.278 4.618 4.340 -0.000 0.000 0.304 470 R C -0.674 175.664 176.300 0.062 0.000 1.072 470 R CA -0.190 55.937 56.100 0.045 0.000 0.980 470 R CB 0.901 31.237 30.300 0.060 0.000 0.986 470 R HN 0.635 nan 8.270 nan 0.000 0.448 471 C N 4.323 123.655 119.300 0.053 0.000 2.206 471 C HA 0.263 4.723 4.460 -0.000 0.000 0.324 471 C C 0.480 175.514 174.990 0.074 0.000 1.120 471 C CA -0.803 58.253 59.018 0.063 0.000 1.546 471 C CB -0.035 27.726 27.740 0.035 0.000 2.023 471 C HN 0.421 nan 8.230 nan 0.000 0.448 472 V N 5.634 125.626 119.914 0.131 0.000 2.461 472 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 472 V C 0.218 176.363 176.094 0.084 0.000 1.047 472 V CA 0.153 62.504 62.300 0.084 0.000 0.955 472 V CB 0.955 32.792 31.823 0.024 0.000 0.988 472 V HN 0.674 nan 8.190 nan 0.000 0.471 473 I N 5.987 126.586 120.570 0.049 0.000 2.502 473 I HA 0.298 4.468 4.170 -0.000 0.000 0.276 473 I C -0.308 175.838 176.117 0.048 0.000 1.057 473 I CA -0.466 60.866 61.300 0.053 0.000 1.163 473 I CB 1.678 39.702 38.000 0.040 0.000 1.288 473 I HN 0.473 nan 8.210 nan 0.000 0.479 474 V N 8.011 127.959 119.914 0.056 0.000 2.407 474 V HA 0.597 4.717 4.120 -0.000 0.000 0.278 474 V C -2.214 173.926 176.094 0.076 0.000 1.037 474 V CA -1.792 60.543 62.300 0.058 0.000 0.900 474 V CB 1.430 33.282 31.823 0.048 0.000 0.983 474 V HN 0.370 nan 8.190 nan 0.000 0.459 475 P HA 0.258 nan 4.420 nan 0.000 0.274 475 P C -1.197 176.150 177.300 0.077 0.000 1.231 475 P CA -0.149 62.996 63.100 0.075 0.000 0.790 475 P CB 0.647 32.387 31.700 0.066 0.000 0.951 476 N N 1.540 120.285 118.700 0.075 0.000 2.542 476 N HA 0.066 4.806 4.740 -0.000 0.000 0.288 476 N C -0.272 175.272 175.510 0.057 0.000 1.115 476 N CA -0.485 52.606 53.050 0.067 0.000 0.924 476 N CB 0.825 39.359 38.487 0.079 0.000 1.526 476 N HN 0.212 nan 8.380 nan 0.000 0.515 477 D N 1.604 122.028 120.400 0.040 0.000 2.349 477 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 477 D C 0.383 176.701 176.300 0.030 0.000 1.029 477 D CA 0.655 54.675 54.000 0.033 0.000 0.879 477 D CB 0.265 41.077 40.800 0.020 0.000 0.906 477 D HN 0.332 nan 8.370 nan 0.000 0.528 478 Q N -0.190 119.629 119.800 0.030 0.000 2.282 478 Q HA 0.291 4.630 4.340 -0.000 0.000 0.205 478 Q C -0.144 175.874 176.000 0.031 0.000 0.915 478 Q CA 0.199 56.015 55.803 0.022 0.000 0.949 478 Q CB -0.033 28.713 28.738 0.013 0.000 1.035 478 Q HN 0.462 nan 8.270 nan 0.000 0.484 479 M N 0.506 120.138 119.600 0.053 0.000 2.378 479 M HA 0.308 4.788 4.480 -0.000 0.000 0.289 479 M C -0.693 175.662 176.300 0.092 0.000 1.136 479 M CA -0.378 54.970 55.300 0.081 0.000 0.917 479 M CB 2.787 35.461 32.600 0.124 0.000 1.669 479 M HN -0.059 nan 8.290 nan 0.000 0.461 480 E N 0.391 120.660 120.200 0.116 0.000 2.249 480 E HA 0.430 4.780 4.350 -0.000 0.000 0.263 480 E C -0.344 176.343 176.600 0.145 0.000 0.950 480 E CA -0.979 55.490 56.400 0.116 0.000 0.827 480 E CB 1.615 31.373 29.700 0.096 0.000 1.220 480 E HN 0.619 nan 8.360 nan 0.000 0.411 481 T N -0.184 114.428 114.554 0.096 0.000 2.978 481 T HA 0.217 4.567 4.350 -0.000 0.000 0.278 481 T C -2.145 172.579 174.700 0.039 0.000 0.945 481 T CA -1.057 61.088 62.100 0.075 0.000 1.070 481 T CB 0.188 69.082 68.868 0.043 0.000 0.948 481 T HN 0.286 nan 8.240 nan 0.000 0.617 482 P HA 0.203 nan 4.420 nan 0.000 0.373 482 P C -0.074 177.162 177.300 -0.108 0.000 1.219 482 P CA -0.125 62.922 63.100 -0.088 0.000 1.291 482 P CB 0.609 32.168 31.700 -0.236 0.000 1.527 483 H N 1.031 120.112 119.070 0.019 0.000 2.562 483 H HA 0.391 4.947 4.556 0.000 0.000 0.352 483 H C -0.188 175.180 175.328 0.066 0.000 1.125 483 H CA 0.680 56.696 56.048 -0.053 0.000 1.379 483 H CB 0.741 30.493 29.762 -0.017 0.000 1.464 483 H HN 0.127 nan 8.280 nan 0.000 0.563 484 Y N -0.948 119.431 120.300 0.132 0.000 2.741 484 Y HA 0.411 4.961 4.550 0.000 0.000 0.339 484 Y C -1.878 174.048 175.900 0.043 0.000 1.226 484 Y CA -1.175 57.004 58.100 0.133 0.000 1.072 484 Y CB 0.892 39.395 38.460 0.071 0.000 1.331 484 Y HN 0.546 nan 8.280 nan 0.000 0.453 485 H N -0.116 119.207 119.070 0.422 0.000 2.717 485 H HA 0.812 5.368 4.556 -0.000 0.000 0.366 485 H C -1.484 174.010 175.328 0.277 0.000 1.132 485 H CA -0.970 55.245 56.048 0.278 0.000 1.180 485 H CB 2.437 32.266 29.762 0.112 0.000 1.678 485 H HN 0.698 nan 8.280 nan 0.000 0.537 486 V N 4.262 124.355 119.914 0.298 0.000 2.483 486 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 486 V C -0.954 175.182 176.094 0.070 0.000 1.027 486 V CA -0.659 61.732 62.300 0.153 0.000 0.855 486 V CB 1.276 33.160 31.823 0.101 0.000 0.995 486 V HN 0.399 nan 8.190 nan 0.000 0.424 487 L N 3.888 125.107 121.223 -0.007 0.000 2.319 487 L HA 0.757 5.097 4.340 -0.000 0.000 0.267 487 L C 0.066 176.849 176.870 -0.145 0.000 1.011 487 L CA -0.492 54.282 54.840 -0.109 0.000 0.818 487 L CB 1.944 43.833 42.059 -0.284 0.000 1.316 487 L HN 0.559 nan 8.230 nan 0.000 0.432 488 R N 0.577 120.993 120.500 -0.140 0.000 2.476 488 R HA 0.807 5.147 4.340 -0.000 0.000 0.305 488 R C -1.634 174.580 176.300 -0.144 0.000 0.965 488 R CA -0.620 55.402 56.100 -0.129 0.000 0.867 488 R CB 1.354 31.614 30.300 -0.066 0.000 1.176 488 R HN 0.422 nan 8.270 nan 0.000 0.447 489 V N 3.902 123.706 119.914 -0.182 0.000 2.347 489 V HA 0.653 4.773 4.120 -0.000 0.000 0.280 489 V C 1.067 177.125 176.094 -0.060 0.000 1.021 489 V CA -0.529 61.697 62.300 -0.124 0.000 0.847 489 V CB 1.069 32.791 31.823 -0.170 0.000 0.990 489 V HN 1.038 nan 8.190 nan 0.000 0.444 490 R N 3.523 124.004 120.500 -0.031 0.000 2.539 490 R HA 0.396 4.736 4.340 -0.000 0.000 0.275 490 R C 0.323 176.619 176.300 -0.006 0.000 1.077 490 R CA -0.588 55.502 56.100 -0.016 0.000 1.097 490 R CB -0.113 30.181 30.300 -0.010 0.000 1.018 490 R HN 0.807 nan 8.270 nan 0.000 0.483 491 K N 0.724 121.122 120.400 -0.004 0.000 2.504 491 K HA 0.198 4.518 4.320 -0.000 0.000 0.278 491 K C 1.324 177.926 176.600 0.004 0.000 1.025 491 K CA 1.885 58.173 56.287 0.002 0.000 1.093 491 K CB 0.329 32.830 32.500 0.001 0.000 0.873 491 K HN 1.074 nan 8.250 nan 0.000 0.483 492 G N 1.347 110.151 108.800 0.007 0.000 3.211 492 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.206 492 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.206 492 G C 1.079 175.986 174.900 0.013 0.000 1.418 492 G CA 0.243 45.348 45.100 0.008 0.000 0.958 492 G HN 0.624 nan 8.290 nan 0.000 0.567 493 E N 2.332 122.540 120.200 0.014 0.000 2.515 493 E HA 0.265 4.615 4.350 -0.000 0.000 0.201 493 E C 1.122 177.741 176.600 0.033 0.000 1.071 493 E CA 1.628 58.041 56.400 0.021 0.000 0.880 493 E CB -0.625 29.088 29.700 0.021 0.000 0.828 493 E HN 0.982 nan 8.360 nan 0.000 0.540 494 E N 0.751 120.971 120.200 0.034 0.000 2.392 494 E HA 0.260 4.610 4.350 -0.000 0.000 0.259 494 E C 0.330 176.954 176.600 0.041 0.000 1.108 494 E CA 0.433 56.865 56.400 0.054 0.000 0.916 494 E CB 0.959 30.691 29.700 0.055 0.000 0.989 494 E HN 0.271 nan 8.360 nan 0.000 0.432 495 T N -2.264 112.317 114.554 0.045 0.000 2.888 495 T HA 0.518 4.868 4.350 -0.000 0.000 0.288 495 T C -2.143 172.556 174.700 -0.002 0.000 1.063 495 T CA -1.409 60.698 62.100 0.013 0.000 1.010 495 T CB 1.401 70.267 68.868 -0.004 0.000 1.214 495 T HN 0.446 nan 8.240 nan 0.000 0.533 496 P HA 0.284 nan 4.420 nan 0.000 0.254 496 P C -0.023 177.241 177.300 -0.061 0.000 1.620 496 P CA -0.286 62.794 63.100 -0.033 0.000 1.050 496 P CB -0.476 31.208 31.700 -0.027 0.000 1.539 497 T N 0.990 115.498 114.554 -0.076 0.000 2.802 497 T HA 0.189 4.539 4.350 -0.000 0.000 0.305 497 T C 0.594 175.191 174.700 -0.171 0.000 1.053 497 T CA 0.061 62.090 62.100 -0.118 0.000 1.058 497 T CB 0.559 69.345 68.868 -0.137 0.000 0.988 497 T HN 0.015 nan 8.240 nan 0.000 0.539 498 L N 2.109 123.194 121.223 -0.230 0.000 2.350 498 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 498 L C 2.071 178.688 176.870 -0.421 0.000 1.099 498 L CA -0.570 54.043 54.840 -0.378 0.000 0.808 498 L CB 1.217 42.927 42.059 -0.582 0.000 1.149 498 L HN 0.949 nan 8.230 nan 0.000 0.442 499 S N 2.952 118.416 115.700 -0.393 0.000 2.422 499 S HA -0.351 4.119 4.470 -0.000 0.000 0.248 499 S C 1.682 176.149 174.600 -0.221 0.000 1.069 499 S CA 2.258 60.290 58.200 -0.281 0.000 1.214 499 S CB -1.012 62.079 63.200 -0.181 0.000 1.122 499 S HN 0.717 nan 8.310 nan 0.000 0.432 500 Y N 0.021 120.296 120.300 -0.042 0.000 2.574 500 Y HA 0.367 4.917 4.550 -0.000 0.000 0.294 500 Y C 2.052 177.930 175.900 -0.036 0.000 1.142 500 Y CA 0.078 58.160 58.100 -0.029 0.000 1.314 500 Y CB -0.706 37.743 38.460 -0.018 0.000 0.991 500 Y HN 0.138 nan 8.280 nan 0.000 0.555 501 M N 0.314 119.905 119.600 -0.014 0.000 2.558 501 M HA 0.088 4.568 4.480 -0.000 0.000 0.255 501 M C 1.746 178.021 176.300 -0.040 0.000 1.113 501 M CA 0.306 55.629 55.300 0.039 0.000 1.097 501 M CB -0.897 31.680 32.600 -0.039 0.000 1.426 501 M HN 0.479 nan 8.290 nan 0.000 0.488 502 L N 0.145 121.317 121.223 -0.084 0.000 1.989 502 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 502 L C -0.396 176.466 176.870 -0.014 0.000 1.071 502 L CA 1.615 56.389 54.840 -0.111 0.000 0.749 502 L CB -2.180 39.805 42.059 -0.122 0.000 0.890 502 L HN 0.155 nan 8.230 nan 0.000 0.431 503 P HA -0.254 nan 4.420 nan 0.000 0.215 503 P C 1.777 179.097 177.300 0.032 0.000 1.163 503 P CA 1.541 64.677 63.100 0.060 0.000 0.894 503 P CB -0.022 31.710 31.700 0.053 0.000 0.791 504 K N -0.468 119.939 120.400 0.012 0.000 2.002 504 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 504 K C 2.133 178.715 176.600 -0.029 0.000 1.048 504 K CA 1.311 57.596 56.287 -0.003 0.000 0.930 504 K CB -1.605 30.896 32.500 0.002 0.000 0.714 504 K HN 0.046 nan 8.250 nan 0.000 0.438 505 L N 1.079 122.252 121.223 -0.082 0.000 2.064 505 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 505 L C 2.020 178.807 176.870 -0.138 0.000 1.077 505 L CA 2.230 56.975 54.840 -0.158 0.000 0.766 505 L CB -0.870 41.010 42.059 -0.300 0.000 0.890 505 L HN 0.504 nan 8.230 nan 0.000 0.435 506 H N -0.954 118.115 119.070 -0.001 0.000 2.526 506 H HA 0.087 4.643 4.556 -0.000 0.000 0.274 506 H C 1.867 177.165 175.328 -0.050 0.000 0.999 506 H CA 0.786 56.829 56.048 -0.009 0.000 1.157 506 H CB -0.111 29.654 29.762 0.004 0.000 1.407 506 H HN 0.527 nan 8.280 nan 0.000 0.568 507 E N 1.325 121.555 120.200 0.051 0.000 2.331 507 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 507 E C 1.424 178.026 176.600 0.004 0.000 1.008 507 E CA 1.003 57.405 56.400 0.002 0.000 0.843 507 E CB -0.379 29.319 29.700 -0.004 0.000 0.761 507 E HN 0.821 nan 8.360 nan 0.000 0.507 508 E N -0.546 119.672 120.200 0.030 0.000 2.330 508 E HA 0.615 4.965 4.350 -0.000 0.000 0.210 508 E C 0.301 176.923 176.600 0.036 0.000 1.256 508 E CA 0.570 56.988 56.400 0.030 0.000 1.346 508 E CB -0.759 28.963 29.700 0.036 0.000 1.308 508 E HN 0.853 nan 8.360 nan 0.000 0.441 509 A N 0.000 122.831 122.820 0.018 0.000 2.254 509 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 509 A CA 0.000 52.059 52.037 0.037 0.000 0.836 509 A CB 0.000 19.030 19.000 0.050 0.000 0.831 509 A HN 0.000 nan 8.150 nan 0.000 0.486