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 2bkh_1_A DATA FIRST_RESID 4 DATA SEQUENCE GKPVWAPHPT DGFQVGNIVD IGPDSLTIEP LNQKGKTFLA LINQVFPAEE DATA SEQUENCE DSKKDVEDNC SLMYLNEATL LHNIKVRYSK DRIYTYVANI LIAVNPYFDI DATA SEQUENCE PKIYSSETIK SYQGKSLGTM PPHVFAIADK AFRDMKVLKL SQSIIVSGES DATA SEQUENCE GAGKTENTKF VLRYLTESYG TGQDIDDRIV EANPLLEAFG NAKTVRNNNS DATA SEQUENCE SRFGKFVEIH FNEKSSVVGG FVSHYLLEKS RICVQGKEER NYHIFYRLCA DATA SEQUENCE GASEDIRERL HLSSPDNFRY LNRGCTRYFA NKETDKQILQ NRKSPEYLKA DATA SEQUENCE GSLKDPLLDD HGDFIRMCTA MKKIGLDDEE KLDLFRVVAG VLHLGNIDFE DATA SEQUENCE EAXXXXXGCN LKNKSTQALE YCAELLGLDQ DDLRVSLTTR VMLTTAGGAK DATA SEQUENCE GTVIKVPLKV EQANNARDAL AKTVYSHLFD HVVNRVNQCF PFETSSYFIG DATA SEQUENCE VLDIAGFEYF EHNSFEQFCI NYCNEKLQQF FNERILKEEQ ELYQKEGLGV DATA SEQUENCE NEVHYVDNQD CIDLIEARLV GILDILDEEN RLPQPSDQHF TSAVHQKHKD DATA SEQUENCE HFRLSIPRKS KLAIHRNIRD DEGFIIRHFA GAVCYETTQF VEKNNDALHM DATA SEQUENCE SLESLICESR DKFIRELFEX XXXXXXXXXX XXXXXXFISV GNKFKTQLNL DATA SEQUENCE LLDKLRSTGA SFIRCIKPNL KMTSHHFEGA QILSQLQCSG MVSVLDLMQG DATA SEQUENCE GFPSRASFHE LYNMYKKYMP DKLARLDPRL FCKALFKALG LNEIDYKFGL DATA SEQUENCE TKVFFRPGKF AEFDQIMKSD PDHLAELVKR VNHWLICSRW KKVQWCSLSV DATA SEQUENCE IKLKNKIKY 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 4.124 3.960 0.273 0.000 0.244 4 G C 0.000 174.869 174.900 -0.051 0.000 0.946 4 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 5 K N 0.867 121.232 120.400 -0.058 0.000 2.106 5 K HA 0.718 5.202 4.320 0.273 0.000 0.246 5 K C -2.417 174.116 176.600 -0.112 0.000 0.987 5 K CA -1.915 54.329 56.287 -0.072 0.000 0.904 5 K CB 1.447 33.916 32.500 -0.052 0.000 1.071 5 K HN 0.016 nan 8.250 nan 0.000 0.453 6 P HA -0.038 nan 4.420 nan 0.000 0.267 6 P C -0.455 176.685 177.300 -0.266 0.000 1.200 6 P CA -0.322 62.650 63.100 -0.214 0.000 0.772 6 P CB 0.815 32.354 31.700 -0.269 0.000 0.855 7 V N -0.892 118.861 119.914 -0.269 0.000 3.102 7 V HA 0.604 4.887 4.120 0.273 0.000 0.312 7 V C -1.034 174.909 176.094 -0.251 0.000 1.135 7 V CA -1.326 60.835 62.300 -0.232 0.000 1.022 7 V CB 1.722 33.483 31.823 -0.103 0.000 1.056 7 V HN 0.461 nan 8.190 nan 0.000 0.436 8 W N 1.225 122.534 121.300 0.015 0.000 2.365 8 W HA 0.816 5.640 4.660 0.274 0.000 0.316 8 W C 0.269 176.962 176.519 0.290 0.000 1.164 8 W CA 0.209 57.623 57.345 0.116 0.000 1.204 8 W CB 1.740 31.152 29.460 -0.080 0.000 1.213 8 W HN 1.025 nan 8.180 nan 0.000 0.539 9 A N 4.022 127.275 122.820 0.723 0.000 2.498 9 A HA 0.776 5.260 4.320 0.273 0.000 0.298 9 A C -2.813 175.201 177.584 0.716 0.000 1.075 9 A CA -1.984 50.445 52.037 0.653 0.000 0.714 9 A CB 1.168 20.448 19.000 0.467 0.000 1.299 9 A HN 0.346 nan 8.150 nan 0.000 0.407 10 P HA 0.280 nan 4.420 nan 0.000 0.266 10 P C -0.933 176.437 177.300 0.117 0.000 1.195 10 P CA 0.784 63.975 63.100 0.152 0.000 0.768 10 P CB 0.227 31.995 31.700 0.113 0.000 0.838 11 H N 3.283 122.292 119.070 -0.101 0.000 2.759 11 H HA 0.319 5.038 4.556 0.272 0.000 0.354 11 H C -1.773 173.482 175.328 -0.122 0.000 1.074 11 H CA -2.012 53.976 56.048 -0.101 0.000 1.226 11 H CB 1.701 31.465 29.762 0.004 0.000 1.648 11 H HN 0.197 nan 8.280 nan 0.000 0.529 12 P HA -0.141 nan 4.420 nan 0.000 0.218 12 P C 0.871 178.147 177.300 -0.040 0.000 1.148 12 P CA 1.863 64.850 63.100 -0.187 0.000 0.822 12 P CB 0.332 31.885 31.700 -0.245 0.000 0.784 13 T N -5.759 108.869 114.554 0.124 0.000 2.978 13 T HA 0.125 4.639 4.350 0.273 0.000 0.248 13 T C 1.204 175.992 174.700 0.147 0.000 1.018 13 T CA 0.040 62.220 62.100 0.133 0.000 1.026 13 T CB -0.391 68.557 68.868 0.134 0.000 1.032 13 T HN -0.119 nan 8.240 nan 0.000 0.485 14 D N 1.144 121.694 120.400 0.250 0.000 2.350 14 D HA 0.296 5.100 4.640 0.273 0.000 0.213 14 D C 1.875 178.223 176.300 0.080 0.000 1.031 14 D CA 1.061 55.120 54.000 0.097 0.000 0.861 14 D CB 0.321 41.080 40.800 -0.069 0.000 0.926 14 D HN 0.602 nan 8.370 nan 0.000 0.520 15 G N 0.376 109.193 108.800 0.027 0.000 3.909 15 G HA2 -0.279 3.844 3.960 0.273 0.000 0.218 15 G HA3 -0.279 3.844 3.960 0.273 0.000 0.218 15 G C 0.156 174.778 174.900 -0.463 0.000 1.404 15 G CA 0.098 45.085 45.100 -0.189 0.000 0.905 15 G HN 0.284 nan 8.290 nan 0.000 0.589 16 F N 1.778 121.797 119.950 0.115 0.000 2.603 16 F HA 0.725 5.415 4.527 0.272 0.000 0.317 16 F C 0.260 176.260 175.800 0.332 0.000 1.066 16 F CA -0.276 57.862 58.000 0.230 0.000 0.941 16 F CB 2.116 41.182 39.000 0.111 0.000 1.291 16 F HN 0.566 nan 8.300 nan 0.000 0.472 17 Q N 0.364 120.587 119.800 0.706 0.000 2.421 17 Q HA 0.720 5.223 4.340 0.273 0.000 0.280 17 Q C -1.858 174.437 176.000 0.492 0.000 1.085 17 Q CA -1.178 54.947 55.803 0.538 0.000 0.807 17 Q CB 2.661 31.598 28.738 0.332 0.000 1.405 17 Q HN 0.560 nan 8.270 nan 0.000 0.419 18 V N 0.753 120.760 119.914 0.155 0.000 2.607 18 V HA 0.848 5.131 4.120 0.273 0.000 0.289 18 V C -0.154 175.920 176.094 -0.033 0.000 1.053 18 V CA 0.940 63.116 62.300 -0.207 0.000 0.996 18 V CB 0.790 32.328 31.823 -0.476 0.000 0.995 18 V HN 0.965 nan 8.190 nan 0.000 0.476 19 G N 4.347 113.103 108.800 -0.073 0.000 2.600 19 G HA2 0.492 4.615 3.960 0.273 0.000 0.293 19 G HA3 0.492 4.615 3.960 0.273 0.000 0.293 19 G C -1.758 173.096 174.900 -0.077 0.000 1.408 19 G CA -1.023 44.066 45.100 -0.019 0.000 0.782 19 G HN 0.756 nan 8.290 nan 0.000 0.482 20 N N -1.154 117.506 118.700 -0.066 0.000 2.272 20 N HA 0.581 5.485 4.740 0.273 0.000 0.305 20 N C -0.648 174.808 175.510 -0.090 0.000 1.103 20 N CA -0.651 52.352 53.050 -0.080 0.000 0.791 20 N CB 2.488 40.935 38.487 -0.066 0.000 1.356 20 N HN 0.397 nan 8.380 nan 0.000 0.486 21 I N 1.967 122.484 120.570 -0.088 0.000 2.337 21 I HA 0.066 4.400 4.170 0.273 0.000 0.291 21 I C 1.149 177.221 176.117 -0.075 0.000 1.046 21 I CA -0.284 60.961 61.300 -0.092 0.000 1.324 21 I CB 0.624 38.575 38.000 -0.083 0.000 1.409 21 I HN 0.496 nan 8.210 nan 0.000 0.494 22 V N 0.679 120.546 119.914 -0.078 0.000 3.570 22 V HA 0.392 4.675 4.120 0.273 0.000 0.257 22 V C 0.156 176.219 176.094 -0.053 0.000 1.272 22 V CA 0.466 62.731 62.300 -0.059 0.000 1.079 22 V CB 0.388 32.179 31.823 -0.053 0.000 0.829 22 V HN 0.674 nan 8.190 nan 0.000 0.454 23 D N -0.927 119.436 120.400 -0.062 0.000 2.602 23 D HA 0.659 5.463 4.640 0.273 0.000 0.236 23 D C -1.313 174.954 176.300 -0.055 0.000 1.209 23 D CA -0.365 53.604 54.000 -0.050 0.000 0.831 23 D CB 2.675 43.448 40.800 -0.044 0.000 1.478 23 D HN 0.195 nan 8.370 nan 0.000 0.438 24 I N 0.516 121.061 120.570 -0.043 0.000 2.693 24 I HA 0.785 5.118 4.170 0.273 0.000 0.303 24 I C 0.756 176.854 176.117 -0.032 0.000 1.025 24 I CA -0.593 60.683 61.300 -0.040 0.000 1.086 24 I CB 2.300 40.279 38.000 -0.035 0.000 1.268 24 I HN 0.380 nan 8.210 nan 0.000 0.440 25 G N 2.751 111.533 108.800 -0.030 0.000 2.798 25 G HA2 0.537 4.660 3.960 0.273 0.000 0.286 25 G HA3 0.537 4.660 3.960 0.273 0.000 0.286 25 G C -2.423 172.466 174.900 -0.018 0.000 1.389 25 G CA -0.827 44.260 45.100 -0.022 0.000 0.894 25 G HN 0.351 nan 8.290 nan 0.000 0.488 26 P HA 0.018 nan 4.420 nan 0.000 0.216 26 P C 0.460 177.754 177.300 -0.010 0.000 1.153 26 P CA 1.687 64.781 63.100 -0.010 0.000 0.848 26 P CB 0.275 31.971 31.700 -0.007 0.000 0.787 27 D N -1.795 118.599 120.400 -0.010 0.000 2.582 27 D HA 0.097 4.901 4.640 0.273 0.000 0.246 27 D C -0.059 176.235 176.300 -0.011 0.000 1.334 27 D CA -0.235 53.760 54.000 -0.009 0.000 0.805 27 D CB -0.069 40.730 40.800 -0.002 0.000 1.087 27 D HN 0.187 nan 8.370 nan 0.000 0.499 28 S N -0.426 115.264 115.700 -0.017 0.000 2.618 28 S HA 0.786 5.420 4.470 0.273 0.000 0.277 28 S C -1.193 173.384 174.600 -0.039 0.000 1.138 28 S CA -0.823 57.365 58.200 -0.020 0.000 0.844 28 S CB 1.990 65.183 63.200 -0.011 0.000 1.127 28 S HN 0.115 nan 8.310 nan 0.000 0.474 29 L N 1.123 122.312 121.223 -0.056 0.000 2.388 29 L HA 0.567 5.071 4.340 0.273 0.000 0.264 29 L C -0.612 176.182 176.870 -0.128 0.000 0.998 29 L CA -0.746 54.044 54.840 -0.083 0.000 0.817 29 L CB 2.706 44.711 42.059 -0.089 0.000 1.338 29 L HN 0.742 nan 8.230 nan 0.000 0.414 30 T N 3.669 118.142 114.554 -0.135 0.000 2.744 30 T HA 0.527 5.040 4.350 0.273 0.000 0.291 30 T C -0.205 174.348 174.700 -0.245 0.000 0.957 30 T CA -0.286 61.704 62.100 -0.183 0.000 1.002 30 T CB 0.710 69.511 68.868 -0.110 0.000 0.919 30 T HN 0.132 nan 8.240 nan 0.000 0.468 31 I N 3.129 123.432 120.570 -0.444 0.000 2.404 31 I HA 0.353 4.687 4.170 0.273 0.000 0.293 31 I C 0.425 176.350 176.117 -0.320 0.000 0.992 31 I CA -1.018 60.009 61.300 -0.455 0.000 1.149 31 I CB 1.608 39.148 38.000 -0.767 0.000 1.315 31 I HN 0.706 nan 8.210 nan 0.000 0.446 32 E N 8.276 128.398 120.200 -0.129 0.000 2.081 32 E HA 0.425 4.939 4.350 0.273 0.000 0.276 32 E C -2.488 174.138 176.600 0.043 0.000 0.950 32 E CA -1.788 54.601 56.400 -0.019 0.000 0.776 32 E CB 1.309 30.997 29.700 -0.020 0.000 1.094 32 E HN 0.249 nan 8.360 nan 0.000 0.402 33 P HA -0.030 nan 4.420 nan 0.000 0.268 33 P C 0.596 177.947 177.300 0.085 0.000 1.205 33 P CA 0.027 63.229 63.100 0.170 0.000 0.771 33 P CB 0.786 32.633 31.700 0.246 0.000 0.858 34 L N 1.646 122.901 121.223 0.053 0.000 2.046 34 L HA -0.136 4.368 4.340 0.273 0.000 0.208 34 L C 1.161 178.054 176.870 0.038 0.000 1.077 34 L CA 1.489 56.342 54.840 0.022 0.000 0.747 34 L CB -0.470 41.582 42.059 -0.012 0.000 0.896 34 L HN 0.418 nan 8.230 nan 0.000 0.432 35 N N -0.293 118.443 118.700 0.060 0.000 2.410 35 N HA -0.006 4.897 4.740 0.273 0.000 0.231 35 N C 0.714 176.264 175.510 0.068 0.000 1.172 35 N CA 0.317 53.403 53.050 0.060 0.000 0.849 35 N CB 1.104 39.630 38.487 0.065 0.000 1.116 35 N HN 0.407 nan 8.380 nan 0.000 0.485 36 Q N -0.340 119.500 119.800 0.066 0.000 2.135 36 Q HA 0.080 4.583 4.340 0.273 0.000 0.175 36 Q C -1.056 174.977 176.000 0.055 0.000 0.703 36 Q CA -0.062 55.779 55.803 0.064 0.000 0.834 36 Q CB 0.301 29.088 28.738 0.081 0.000 1.229 36 Q HN 0.106 nan 8.270 nan 0.000 0.388 37 K N -0.104 120.332 120.400 0.059 0.000 4.854 37 K HA -0.095 4.388 4.320 0.273 0.000 0.338 37 K C -0.223 176.401 176.600 0.041 0.000 1.013 37 K CA 1.021 57.334 56.287 0.043 0.000 1.072 37 K CB -1.648 30.869 32.500 0.028 0.000 1.642 37 K HN 0.777 nan 8.250 nan 0.000 0.426 38 G N 2.077 110.908 108.800 0.052 0.000 2.245 38 G HA2 -0.179 3.944 3.960 0.273 0.000 0.130 38 G HA3 -0.179 3.944 3.960 0.273 0.000 0.130 38 G C -0.302 174.635 174.900 0.062 0.000 1.040 38 G CA -0.014 45.115 45.100 0.047 0.000 0.713 38 G HN 0.557 nan 8.290 nan 0.000 0.488 39 K N -0.060 120.396 120.400 0.093 0.000 3.167 39 K HA 0.484 4.967 4.320 0.273 0.000 0.208 39 K C 0.460 177.174 176.600 0.191 0.000 1.159 39 K CA -0.098 56.257 56.287 0.114 0.000 1.018 39 K CB 0.771 33.331 32.500 0.100 0.000 0.927 39 K HN 0.227 nan 8.250 nan 0.000 0.476 40 T N 1.444 116.082 114.554 0.141 0.000 2.923 40 T HA 0.030 4.544 4.350 0.273 0.000 0.309 40 T C -0.290 174.533 174.700 0.205 0.000 1.059 40 T CA 0.338 62.506 62.100 0.114 0.000 1.133 40 T CB -0.172 68.711 68.868 0.025 0.000 1.053 40 T HN 0.417 nan 8.240 nan 0.000 0.530 41 F N 2.757 122.720 119.950 0.022 0.000 2.664 41 F HA 0.735 5.425 4.527 0.273 0.000 0.317 41 F C -1.569 174.244 175.800 0.021 0.000 1.108 41 F CA -1.667 56.345 58.000 0.020 0.000 0.957 41 F CB 1.094 40.107 39.000 0.022 0.000 1.365 41 F HN 0.377 nan 8.300 nan 0.000 0.475 42 L N 2.253 123.560 121.223 0.140 0.000 2.334 42 L HA 0.837 5.341 4.340 0.273 0.000 0.277 42 L C -0.160 176.793 176.870 0.138 0.000 1.075 42 L CA -0.990 53.871 54.840 0.035 0.000 0.804 42 L CB 1.450 43.543 42.059 0.057 0.000 1.174 42 L HN 0.956 nan 8.230 nan 0.000 0.438 43 A N 3.356 126.194 122.820 0.030 0.000 2.486 43 A HA 0.672 5.155 4.320 0.273 0.000 0.300 43 A C -0.740 176.870 177.584 0.044 0.000 1.048 43 A CA -0.644 51.455 52.037 0.103 0.000 0.696 43 A CB 1.210 20.289 19.000 0.132 0.000 1.278 43 A HN 0.614 nan 8.150 nan 0.000 0.405 44 L N 2.564 123.822 121.223 0.058 0.000 2.461 44 L HA 0.137 4.641 4.340 0.273 0.000 0.272 44 L C 1.359 178.225 176.870 -0.008 0.000 1.197 44 L CA -0.128 54.727 54.840 0.025 0.000 0.836 44 L CB 0.309 42.391 42.059 0.037 0.000 1.105 44 L HN 0.791 nan 8.230 nan 0.000 0.477 45 I N 1.628 122.177 120.570 -0.035 0.000 2.286 45 I HA -0.277 4.057 4.170 0.273 0.000 0.248 45 I C 1.823 177.854 176.117 -0.143 0.000 1.115 45 I CA 1.469 62.723 61.300 -0.077 0.000 1.392 45 I CB -0.237 37.727 38.000 -0.059 0.000 1.065 45 I HN 0.847 nan 8.210 nan 0.000 0.418 46 N N 0.289 118.926 118.700 -0.105 0.000 2.521 46 N HA -0.157 4.746 4.740 0.273 0.000 0.188 46 N C 1.322 176.708 175.510 -0.205 0.000 1.146 46 N CA 0.635 53.598 53.050 -0.146 0.000 0.893 46 N CB -0.337 38.139 38.487 -0.019 0.000 0.975 46 N HN 0.439 nan 8.380 nan 0.000 0.451 47 Q N -0.276 119.455 119.800 -0.116 0.000 2.247 47 Q HA 0.271 4.774 4.340 0.273 0.000 0.204 47 Q C -0.718 175.305 176.000 0.039 0.000 0.872 47 Q CA -0.099 55.754 55.803 0.083 0.000 0.951 47 Q CB 1.084 29.947 28.738 0.207 0.000 1.099 47 Q HN 0.170 nan 8.270 nan 0.000 0.501 48 V N 1.118 120.840 119.914 -0.319 0.000 2.459 48 V HA 0.447 4.731 4.120 0.273 0.000 0.295 48 V C -0.762 175.012 176.094 -0.532 0.000 1.029 48 V CA -0.476 61.718 62.300 -0.177 0.000 0.874 48 V CB 1.051 32.826 31.823 -0.081 0.000 0.985 48 V HN 0.053 nan 8.190 nan 0.000 0.438 49 F N 5.017 124.991 119.950 0.039 0.000 2.576 49 F HA 0.626 5.317 4.527 0.273 0.000 0.313 49 F C -2.278 173.468 175.800 -0.089 0.000 1.078 49 F CA -2.511 55.469 58.000 -0.034 0.000 0.921 49 F CB 2.340 41.288 39.000 -0.087 0.000 1.232 49 F HN 0.293 nan 8.300 nan 0.000 0.459 50 P HA 0.318 nan 4.420 nan 0.000 0.275 50 P C -1.273 175.837 177.300 -0.316 0.000 1.228 50 P CA -0.202 62.650 63.100 -0.413 0.000 0.786 50 P CB 1.171 32.282 31.700 -0.982 0.000 0.927 51 A N 1.639 124.250 122.820 -0.348 0.000 2.337 51 A HA 0.423 4.907 4.320 0.273 0.000 0.329 51 A C -0.111 177.462 177.584 -0.018 0.000 1.146 51 A CA -0.633 51.278 52.037 -0.209 0.000 0.800 51 A CB 0.433 19.018 19.000 -0.691 0.000 1.220 51 A HN 0.424 nan 8.150 nan 0.000 0.472 52 E N 1.096 121.384 120.200 0.146 0.000 2.417 52 E HA 0.045 4.559 4.350 0.273 0.000 0.261 52 E C 0.968 177.579 176.600 0.018 0.000 1.000 52 E CA 0.316 56.804 56.400 0.148 0.000 0.919 52 E CB 0.299 30.097 29.700 0.163 0.000 0.955 52 E HN 0.606 nan 8.360 nan 0.000 0.455 53 E N 2.431 122.647 120.200 0.027 0.000 2.070 53 E HA -0.211 4.302 4.350 0.273 0.000 0.197 53 E C 0.157 176.743 176.600 -0.023 0.000 1.004 53 E CA 1.195 57.585 56.400 -0.016 0.000 0.805 53 E CB 0.061 29.761 29.700 0.000 0.000 0.744 53 E HN 0.481 nan 8.360 nan 0.000 0.451 54 D N 0.278 120.680 120.400 0.003 0.000 2.365 54 D HA 0.020 4.823 4.640 0.273 0.000 0.237 54 D C 0.739 177.075 176.300 0.061 0.000 1.190 54 D CA -0.028 53.984 54.000 0.019 0.000 0.867 54 D CB 0.806 41.615 40.800 0.015 0.000 1.050 54 D HN -0.083 nan 8.370 nan 0.000 0.491 55 S N 3.448 119.181 115.700 0.056 0.000 2.561 55 S HA -0.022 4.612 4.470 0.273 0.000 0.225 55 S C 1.148 175.902 174.600 0.256 0.000 0.977 55 S CA 0.306 58.588 58.200 0.136 0.000 0.926 55 S CB 0.153 63.381 63.200 0.047 0.000 0.769 55 S HN 0.319 nan 8.310 nan 0.000 0.533 56 K N 1.211 121.694 120.400 0.137 0.000 2.355 56 K HA 0.241 4.724 4.320 0.273 0.000 0.198 56 K C 0.502 177.143 176.600 0.068 0.000 1.039 56 K CA -0.026 56.316 56.287 0.092 0.000 1.075 56 K CB 0.132 32.661 32.500 0.049 0.000 0.870 56 K HN 0.540 nan 8.250 nan 0.000 0.540 57 K N 3.245 123.694 120.400 0.081 0.000 2.436 57 K HA -0.042 4.442 4.320 0.273 0.000 0.275 57 K C -0.612 176.024 176.600 0.061 0.000 0.999 57 K CA 0.271 56.593 56.287 0.057 0.000 0.980 57 K CB 0.493 33.025 32.500 0.052 0.000 0.919 57 K HN 0.006 nan 8.250 nan 0.000 0.484 58 D N 2.319 122.740 120.400 0.034 0.000 2.857 58 D HA 0.331 5.135 4.640 0.273 0.000 0.227 58 D C -0.838 175.482 176.300 0.034 0.000 1.192 58 D CA -0.757 53.260 54.000 0.027 0.000 0.857 58 D CB 1.654 42.451 40.800 -0.005 0.000 1.645 58 D HN 0.330 nan 8.370 nan 0.000 0.482 59 V N -1.294 118.648 119.914 0.046 0.000 2.864 59 V HA 0.491 4.774 4.120 0.273 0.000 0.314 59 V C 0.875 177.004 176.094 0.057 0.000 1.073 59 V CA -0.742 61.593 62.300 0.059 0.000 0.956 59 V CB 1.947 33.817 31.823 0.078 0.000 1.023 59 V HN 0.644 nan 8.190 nan 0.000 0.435 60 E N 0.693 120.934 120.200 0.069 0.000 2.158 60 E HA -0.022 4.491 4.350 0.273 0.000 0.191 60 E C -0.052 176.618 176.600 0.116 0.000 0.982 60 E CA 1.136 57.575 56.400 0.065 0.000 0.823 60 E CB 0.299 30.051 29.700 0.087 0.000 0.766 60 E HN 0.855 nan 8.360 nan 0.000 0.468 61 D N -0.252 120.243 120.400 0.157 0.000 2.408 61 D HA 0.093 4.897 4.640 0.273 0.000 0.243 61 D C 0.266 176.650 176.300 0.140 0.000 1.075 61 D CA -0.328 53.789 54.000 0.196 0.000 0.832 61 D CB 0.832 41.747 40.800 0.192 0.000 1.162 61 D HN -0.169 nan 8.370 nan 0.000 0.515 62 N N 2.173 120.956 118.700 0.137 0.000 2.443 62 N HA -0.109 4.795 4.740 0.273 0.000 0.184 62 N C 1.452 177.034 175.510 0.120 0.000 1.037 62 N CA 0.496 53.616 53.050 0.116 0.000 0.896 62 N CB 0.033 38.583 38.487 0.104 0.000 0.959 62 N HN 0.470 nan 8.380 nan 0.000 0.442 63 C N 0.281 119.654 119.300 0.121 0.000 2.449 63 C HA 0.034 4.657 4.460 0.273 0.000 0.283 63 C C 2.586 177.651 174.990 0.126 0.000 1.453 63 C CA 0.328 59.416 59.018 0.115 0.000 1.779 63 C CB -1.106 26.688 27.740 0.091 0.000 1.779 63 C HN 0.383 nan 8.230 nan 0.000 0.546 64 S N 0.556 116.336 115.700 0.132 0.000 2.489 64 S HA 0.111 4.745 4.470 0.273 0.000 0.228 64 S C 0.718 175.463 174.600 0.243 0.000 0.995 64 S CA 0.324 58.635 58.200 0.186 0.000 0.934 64 S CB -0.202 63.086 63.200 0.146 0.000 0.771 64 S HN 0.562 nan 8.310 nan 0.000 0.522 65 L N 1.204 122.521 121.223 0.157 0.000 2.482 65 L HA 0.147 4.650 4.340 0.273 0.000 0.273 65 L C 1.580 178.480 176.870 0.050 0.000 1.228 65 L CA -0.024 54.869 54.840 0.088 0.000 0.827 65 L CB 0.161 42.285 42.059 0.109 0.000 1.099 65 L HN 0.196 nan 8.230 nan 0.000 0.494 66 M N 0.561 120.039 119.600 -0.204 0.000 2.388 66 M HA 0.021 4.665 4.480 0.273 0.000 0.265 66 M C -0.586 175.434 176.300 -0.466 0.000 1.088 66 M CA 1.238 56.255 55.300 -0.471 0.000 1.134 66 M CB 0.139 32.245 32.600 -0.824 0.000 1.384 66 M HN 0.362 nan 8.290 nan 0.000 0.447 67 Y N 0.333 120.656 120.300 0.039 0.000 2.329 67 Y HA 0.452 5.166 4.550 0.272 0.000 0.328 67 Y C -0.829 175.118 175.900 0.079 0.000 0.992 67 Y CA -1.298 56.848 58.100 0.076 0.000 1.151 67 Y CB 1.147 39.657 38.460 0.083 0.000 1.150 67 Y HN -0.107 nan 8.280 nan 0.000 0.450 68 L N 6.274 127.626 121.223 0.215 0.000 2.288 68 L HA 0.503 5.006 4.340 0.273 0.000 0.283 68 L C -0.874 176.061 176.870 0.108 0.000 1.072 68 L CA -0.268 54.657 54.840 0.142 0.000 0.862 68 L CB -0.598 41.538 42.059 0.128 0.000 1.245 68 L HN 0.835 nan 8.230 nan 0.000 0.432 69 N N 0.934 119.654 118.700 0.032 0.000 2.853 69 N HA 0.265 5.168 4.740 0.273 0.000 0.258 69 N C 0.246 175.587 175.510 -0.282 0.000 1.444 69 N CA -0.289 52.700 53.050 -0.101 0.000 0.837 69 N CB 0.417 38.860 38.487 -0.074 0.000 1.489 69 N HN 0.408 nan 8.380 nan 0.000 0.529 70 E N -0.930 118.992 120.200 -0.464 0.000 2.204 70 E HA -0.184 4.330 4.350 0.273 0.000 0.195 70 E C 1.179 177.471 176.600 -0.513 0.000 0.990 70 E CA 1.382 57.552 56.400 -0.384 0.000 0.821 70 E CB -0.257 29.275 29.700 -0.280 0.000 0.750 70 E HN 0.574 nan 8.360 nan 0.000 0.477 71 A N 1.827 124.059 122.820 -0.981 0.000 1.898 71 A HA -0.107 4.377 4.320 0.273 0.000 0.214 71 A C 2.514 179.576 177.584 -0.870 0.000 1.183 71 A CA 1.760 53.050 52.037 -1.245 0.000 0.622 71 A CB -0.917 17.003 19.000 -1.800 0.000 0.824 71 A HN 0.470 nan 8.150 nan 0.000 0.444 72 T N -1.673 112.618 114.554 -0.438 0.000 2.904 72 T HA -0.094 4.419 4.350 0.273 0.000 0.267 72 T C 1.789 176.454 174.700 -0.058 0.000 1.059 72 T CA 1.353 63.395 62.100 -0.097 0.000 1.137 72 T CB -0.479 68.458 68.868 0.115 0.000 0.879 72 T HN 0.211 nan 8.240 nan 0.000 0.467 73 L N 0.828 121.993 121.223 -0.097 0.000 2.017 73 L HA 0.140 4.644 4.340 0.273 0.000 0.208 73 L C 2.347 179.194 176.870 -0.039 0.000 1.073 73 L CA 1.560 56.378 54.840 -0.036 0.000 0.745 73 L CB -1.137 40.906 42.059 -0.027 0.000 0.894 73 L HN 0.290 nan 8.230 nan 0.000 0.432 74 L N -0.607 120.563 121.223 -0.088 0.000 2.013 74 L HA -0.292 4.212 4.340 0.273 0.000 0.212 74 L C 2.726 179.562 176.870 -0.057 0.000 1.073 74 L CA 2.353 57.186 54.840 -0.013 0.000 0.753 74 L CB -1.052 41.004 42.059 -0.004 0.000 0.890 74 L HN 0.577 nan 8.230 nan 0.000 0.432 75 H N -1.158 117.746 119.070 -0.277 0.000 2.389 75 H HA -0.149 4.571 4.556 0.273 0.000 0.299 75 H C 1.996 177.252 175.328 -0.121 0.000 1.081 75 H CA 1.605 57.506 56.048 -0.244 0.000 1.345 75 H CB 0.152 29.770 29.762 -0.240 0.000 1.393 75 H HN 0.467 nan 8.280 nan 0.000 0.520 76 N N 1.236 119.907 118.700 -0.049 0.000 2.120 76 N HA -0.128 4.776 4.740 0.273 0.000 0.188 76 N C 2.276 177.716 175.510 -0.118 0.000 1.024 76 N CA 1.715 54.733 53.050 -0.054 0.000 0.852 76 N CB -0.454 38.059 38.487 0.043 0.000 1.003 76 N HN 0.623 nan 8.380 nan 0.000 0.424 77 I N -2.414 118.105 120.570 -0.085 0.000 2.761 77 I HA 0.003 4.337 4.170 0.273 0.000 0.261 77 I C 2.128 178.146 176.117 -0.164 0.000 1.198 77 I CA 0.839 62.112 61.300 -0.044 0.000 1.482 77 I CB -0.195 37.839 38.000 0.057 0.000 1.100 77 I HN 0.027 nan 8.210 nan 0.000 0.445 78 K N 1.676 121.776 120.400 -0.501 0.000 2.025 78 K HA -0.091 4.392 4.320 0.273 0.000 0.207 78 K C 2.077 178.379 176.600 -0.496 0.000 1.049 78 K CA 1.814 57.472 56.287 -1.048 0.000 0.933 78 K CB -0.050 31.727 32.500 -1.204 0.000 0.714 78 K HN 0.312 nan 8.250 nan 0.000 0.438 79 V N 1.529 121.188 119.914 -0.424 0.000 2.407 79 V HA -0.213 4.070 4.120 0.273 0.000 0.248 79 V C 2.419 178.434 176.094 -0.131 0.000 1.055 79 V CA 1.724 63.863 62.300 -0.268 0.000 1.049 79 V CB -0.462 31.189 31.823 -0.287 0.000 0.662 79 V HN 0.344 nan 8.190 nan 0.000 0.455 80 R N -1.544 118.897 120.500 -0.099 0.000 2.090 80 R HA -0.142 4.362 4.340 0.273 0.000 0.228 80 R C 2.323 178.638 176.300 0.024 0.000 1.110 80 R CA 1.581 57.662 56.100 -0.032 0.000 0.973 80 R CB -0.417 29.871 30.300 -0.020 0.000 0.869 80 R HN 0.556 nan 8.270 nan 0.000 0.440 81 Y N 1.671 121.915 120.300 -0.094 0.000 2.224 81 Y HA -0.248 4.464 4.550 0.272 0.000 0.289 81 Y C 2.591 178.509 175.900 0.030 0.000 1.146 81 Y CA 1.588 59.678 58.100 -0.017 0.000 1.182 81 Y CB -0.316 38.179 38.460 0.059 0.000 0.983 81 Y HN 0.076 nan 8.280 nan 0.000 0.524 82 S N -0.477 115.236 115.700 0.022 0.000 2.419 82 S HA -0.183 4.450 4.470 0.273 0.000 0.233 82 S C 1.532 176.112 174.600 -0.034 0.000 1.016 82 S CA 1.339 59.531 58.200 -0.014 0.000 0.974 82 S CB -0.448 62.737 63.200 -0.024 0.000 0.786 82 S HN 0.509 nan 8.310 nan 0.000 0.492 83 K N 0.798 121.175 120.400 -0.038 0.000 2.446 83 K HA 0.160 4.644 4.320 0.273 0.000 0.203 83 K C -0.477 176.106 176.600 -0.029 0.000 1.027 83 K CA 0.320 56.588 56.287 -0.032 0.000 1.166 83 K CB 0.128 32.610 32.500 -0.029 0.000 0.869 83 K HN 0.143 nan 8.250 nan 0.000 0.504 84 D N 0.891 121.261 120.400 -0.050 0.000 3.059 84 D HA -0.191 4.613 4.640 0.273 0.000 0.220 84 D C -0.631 175.605 176.300 -0.107 0.000 1.169 84 D CA 1.031 54.996 54.000 -0.058 0.000 0.902 84 D CB -0.894 39.961 40.800 0.091 0.000 1.116 84 D HN 0.326 nan 8.370 nan 0.000 0.417 85 R N 0.792 121.242 120.500 -0.082 0.000 2.296 85 R HA 0.343 4.846 4.340 0.273 0.000 0.327 85 R C 1.951 178.192 176.300 -0.097 0.000 1.137 85 R CA -0.202 55.838 56.100 -0.100 0.000 1.020 85 R CB 0.081 30.348 30.300 -0.056 0.000 1.110 85 R HN 0.355 nan 8.270 nan 0.000 0.499 86 I N -1.762 118.660 120.570 -0.246 0.000 3.251 86 I HA 0.076 4.409 4.170 0.273 0.000 0.277 86 I C -0.222 175.683 176.117 -0.354 0.000 1.268 86 I CA 0.270 61.408 61.300 -0.271 0.000 1.449 86 I CB 0.114 37.837 38.000 -0.462 0.000 1.083 86 I HN 0.273 nan 8.210 nan 0.000 0.464 87 Y N 1.346 121.559 120.300 -0.146 0.000 2.352 87 Y HA 0.620 5.332 4.550 0.270 0.000 0.339 87 Y C -0.092 175.672 175.900 -0.226 0.000 0.992 87 Y CA -0.885 57.091 58.100 -0.207 0.000 1.100 87 Y CB 1.988 40.256 38.460 -0.320 0.000 1.192 87 Y HN -0.085 nan 8.280 nan 0.000 0.458 88 T N 2.092 116.617 114.554 -0.049 0.000 2.982 88 T HA 0.339 4.852 4.350 0.273 0.000 0.321 88 T C -1.319 173.335 174.700 -0.077 0.000 1.229 88 T CA -1.053 60.982 62.100 -0.109 0.000 1.044 88 T CB 0.833 69.701 68.868 -0.001 0.000 1.184 88 T HN 0.362 nan 8.240 nan 0.000 0.477 89 Y N 0.456 120.813 120.300 0.096 0.000 2.376 89 Y HA 0.589 5.302 4.550 0.272 0.000 0.325 89 Y C 0.259 176.213 175.900 0.090 0.000 1.199 89 Y CA -1.149 57.006 58.100 0.093 0.000 1.206 89 Y CB 1.269 39.778 38.460 0.082 0.000 1.229 89 Y HN 0.270 nan 8.280 nan 0.000 0.480 90 V N 3.461 123.545 119.914 0.284 0.000 2.304 90 V HA 0.478 4.761 4.120 0.273 0.000 0.278 90 V C 0.528 176.718 176.094 0.159 0.000 1.018 90 V CA -0.108 62.306 62.300 0.189 0.000 0.814 90 V CB -0.136 31.776 31.823 0.149 0.000 1.021 90 V HN 1.143 nan 8.190 nan 0.000 0.440 91 A N 5.599 128.494 122.820 0.125 0.000 5.175 91 A HA -0.306 4.178 4.320 0.273 0.000 0.332 91 A C 1.497 179.061 177.584 -0.034 0.000 1.800 91 A CA 2.095 54.163 52.037 0.053 0.000 0.707 91 A CB -1.395 17.637 19.000 0.054 0.000 1.405 91 A HN 0.700 nan 8.150 nan 0.000 0.388 92 N N 0.457 119.144 118.700 -0.020 0.000 2.280 92 N HA 0.282 5.185 4.740 0.273 0.000 0.192 92 N C 0.306 175.866 175.510 0.083 0.000 1.109 92 N CA 0.682 53.686 53.050 -0.077 0.000 0.855 92 N CB -0.125 38.348 38.487 -0.023 0.000 0.974 92 N HN 0.658 nan 8.380 nan 0.000 0.482 93 I N 1.452 122.144 120.570 0.202 0.000 2.529 93 I HA 0.055 4.389 4.170 0.273 0.000 0.284 93 I C -0.008 176.327 176.117 0.363 0.000 1.082 93 I CA -0.586 60.898 61.300 0.307 0.000 1.406 93 I CB 0.857 39.047 38.000 0.315 0.000 1.405 93 I HN -0.131 nan 8.210 nan 0.000 0.548 94 L N 8.159 129.579 121.223 0.327 0.000 2.272 94 L HA 0.481 4.985 4.340 0.273 0.000 0.289 94 L C -0.550 176.442 176.870 0.203 0.000 1.032 94 L CA -0.210 54.806 54.840 0.293 0.000 0.810 94 L CB 0.642 42.835 42.059 0.223 0.000 1.205 94 L HN 0.297 nan 8.230 nan 0.000 0.422 95 I N 5.067 125.736 120.570 0.166 0.000 2.365 95 I HA 0.580 4.914 4.170 0.273 0.000 0.291 95 I C 0.255 176.456 176.117 0.139 0.000 1.004 95 I CA -0.600 60.778 61.300 0.130 0.000 1.311 95 I CB 0.923 38.983 38.000 0.099 0.000 1.401 95 I HN 0.765 nan 8.210 nan 0.000 0.491 96 A N 6.856 129.744 122.820 0.114 0.000 2.411 96 A HA 0.648 5.132 4.320 0.273 0.000 0.285 96 A C -0.840 176.723 177.584 -0.034 0.000 1.129 96 A CA -0.492 51.602 52.037 0.096 0.000 0.736 96 A CB 0.978 20.128 19.000 0.249 0.000 1.186 96 A HN 0.375 nan 8.150 nan 0.000 0.445 97 V N 3.068 122.918 119.914 -0.105 0.000 2.383 97 V HA 0.205 4.489 4.120 0.273 0.000 0.275 97 V C 0.524 176.543 176.094 -0.126 0.000 1.036 97 V CA -0.941 61.272 62.300 -0.145 0.000 0.889 97 V CB 1.199 32.889 31.823 -0.220 0.000 0.985 97 V HN 0.879 nan 8.190 nan 0.000 0.459 98 N N 8.054 126.637 118.700 -0.196 0.000 2.414 98 N HA 0.068 4.971 4.740 0.273 0.000 0.268 98 N C -1.189 174.207 175.510 -0.191 0.000 1.286 98 N CA -1.479 51.394 53.050 -0.296 0.000 0.896 98 N CB 1.374 39.533 38.487 -0.547 0.000 1.093 98 N HN 0.342 nan 8.380 nan 0.000 0.480 99 P HA -0.081 nan 4.420 nan 0.000 0.222 99 P C -0.283 177.085 177.300 0.113 0.000 1.153 99 P CA 0.764 63.823 63.100 -0.068 0.000 0.798 99 P CB 0.013 31.405 31.700 -0.513 0.000 0.796 100 Y N -1.868 118.464 120.300 0.053 0.000 4.079 100 Y HA -0.253 4.458 4.550 0.269 0.000 0.223 100 Y C 0.336 176.363 175.900 0.211 0.000 1.155 100 Y CA 0.172 58.335 58.100 0.106 0.000 1.805 100 Y CB -2.435 36.100 38.460 0.125 0.000 1.571 100 Y HN 0.125 nan 8.280 nan 0.000 0.654 101 F N -2.905 117.106 119.950 0.102 0.000 2.713 101 F HA 0.625 5.316 4.527 0.274 0.000 0.311 101 F C -1.194 174.657 175.800 0.085 0.000 1.141 101 F CA -1.783 56.268 58.000 0.085 0.000 0.939 101 F CB 1.007 40.044 39.000 0.061 0.000 1.325 101 F HN -0.324 nan 8.300 nan 0.000 0.453 102 D N 3.183 123.654 120.400 0.118 0.000 2.352 102 D HA 0.318 5.122 4.640 0.273 0.000 0.245 102 D C 0.178 176.479 176.300 0.001 0.000 1.224 102 D CA 0.310 54.340 54.000 0.050 0.000 0.879 102 D CB 1.191 42.079 40.800 0.146 0.000 1.057 102 D HN 0.492 nan 8.370 nan 0.000 0.491 103 I N 5.022 125.488 120.570 -0.173 0.000 2.452 103 I HA 0.066 4.399 4.170 0.273 0.000 0.287 103 I C -1.649 174.463 176.117 -0.008 0.000 1.079 103 I CA -1.509 59.694 61.300 -0.162 0.000 1.387 103 I CB 0.475 38.273 38.000 -0.336 0.000 1.404 103 I HN 0.042 nan 8.210 nan 0.000 0.522 104 P HA 0.080 nan 4.420 nan 0.000 0.271 104 P C -0.096 177.202 177.300 -0.003 0.000 1.216 104 P CA -0.189 62.944 63.100 0.055 0.000 0.776 104 P CB 0.661 32.406 31.700 0.076 0.000 0.881 105 K N 0.636 121.048 120.400 0.021 0.000 3.495 105 K HA -0.258 4.225 4.320 0.273 0.000 0.288 105 K C 1.447 178.030 176.600 -0.029 0.000 0.908 105 K CA 1.755 58.051 56.287 0.016 0.000 1.231 105 K CB -2.485 30.027 32.500 0.020 0.000 1.399 105 K HN 0.538 nan 8.250 nan 0.000 0.465 106 I N -1.840 118.609 120.570 -0.202 0.000 2.830 106 I HA -0.090 4.243 4.170 0.273 0.000 0.263 106 I C 1.220 177.107 176.117 -0.384 0.000 1.230 106 I CA 1.019 62.108 61.300 -0.353 0.000 1.480 106 I CB -0.240 37.367 38.000 -0.655 0.000 1.095 106 I HN 0.260 nan 8.210 nan 0.000 0.455 107 Y N 1.724 122.051 120.300 0.045 0.000 2.636 107 Y HA 0.314 5.031 4.550 0.278 0.000 0.260 107 Y C 1.496 177.540 175.900 0.240 0.000 1.177 107 Y CA -0.615 57.566 58.100 0.135 0.000 1.209 107 Y CB 0.144 38.577 38.460 -0.045 0.000 1.166 107 Y HN 0.180 nan 8.280 nan 0.000 0.531 108 S N -0.928 114.936 115.700 0.274 0.000 2.603 108 S HA 0.073 4.706 4.470 0.273 0.000 0.268 108 S C 1.346 176.044 174.600 0.163 0.000 1.317 108 S CA -0.205 58.109 58.200 0.190 0.000 1.012 108 S CB 1.568 64.843 63.200 0.126 0.000 0.926 108 S HN 0.248 nan 8.310 nan 0.000 0.539 109 S N 0.694 116.449 115.700 0.091 0.000 2.400 109 S HA -0.155 4.479 4.470 0.273 0.000 0.232 109 S C 1.716 176.329 174.600 0.022 0.000 1.025 109 S CA 1.533 59.749 58.200 0.026 0.000 0.993 109 S CB -0.569 62.632 63.200 0.002 0.000 0.808 109 S HN 0.891 nan 8.310 nan 0.000 0.478 110 E N 0.639 120.870 120.200 0.051 0.000 2.072 110 E HA -0.123 4.390 4.350 0.273 0.000 0.191 110 E C 1.841 178.494 176.600 0.088 0.000 0.985 110 E CA 1.404 57.834 56.400 0.049 0.000 0.801 110 E CB -0.086 29.642 29.700 0.048 0.000 0.750 110 E HN 0.418 nan 8.360 nan 0.000 0.452 111 T N 1.304 115.949 114.554 0.151 0.000 2.746 111 T HA -0.130 4.383 4.350 0.273 0.000 0.267 111 T C 1.875 176.772 174.700 0.329 0.000 1.039 111 T CA 1.210 63.470 62.100 0.266 0.000 1.142 111 T CB -0.203 68.857 68.868 0.320 0.000 0.866 111 T HN 0.182 nan 8.240 nan 0.000 0.444 112 I N 0.864 121.537 120.570 0.171 0.000 2.151 112 I HA -0.261 4.073 4.170 0.273 0.000 0.243 112 I C 2.661 178.787 176.117 0.015 0.000 1.080 112 I CA 1.461 62.719 61.300 -0.071 0.000 1.339 112 I CB -0.333 37.491 38.000 -0.293 0.000 1.039 112 I HN 0.206 nan 8.210 nan 0.000 0.409 113 K N 0.593 120.983 120.400 -0.016 0.000 2.057 113 K HA -0.151 4.333 4.320 0.273 0.000 0.207 113 K C 2.221 178.838 176.600 0.028 0.000 1.049 113 K CA 1.871 58.136 56.287 -0.037 0.000 0.931 113 K CB -0.369 32.107 32.500 -0.041 0.000 0.714 113 K HN 0.439 nan 8.250 nan 0.000 0.440 114 S N -0.105 115.634 115.700 0.065 0.000 2.469 114 S HA -0.139 4.495 4.470 0.273 0.000 0.238 114 S C 1.755 176.312 174.600 -0.070 0.000 0.998 114 S CA 0.761 58.959 58.200 -0.004 0.000 0.957 114 S CB -0.384 62.797 63.200 -0.031 0.000 0.764 114 S HN 0.288 nan 8.310 nan 0.000 0.514 115 Y N 1.841 122.185 120.300 0.072 0.000 2.500 115 Y HA 0.281 4.996 4.550 0.275 0.000 0.270 115 Y C 1.174 177.162 175.900 0.146 0.000 1.134 115 Y CA -0.234 57.920 58.100 0.090 0.000 1.293 115 Y CB -0.049 38.441 38.460 0.049 0.000 1.063 115 Y HN 0.354 nan 8.280 nan 0.000 0.534 116 Q N 0.157 120.102 119.800 0.240 0.000 2.289 116 Q HA 0.243 4.747 4.340 0.273 0.000 0.273 116 Q C 1.214 177.326 176.000 0.188 0.000 1.029 116 Q CA 0.868 56.805 55.803 0.225 0.000 0.896 116 Q CB 0.616 29.383 28.738 0.048 0.000 1.182 116 Q HN 0.585 nan 8.270 nan 0.000 0.385 117 G N 2.341 111.285 108.800 0.241 0.000 2.304 117 G HA2 -0.253 3.871 3.960 0.273 0.000 0.252 117 G HA3 -0.253 3.871 3.960 0.273 0.000 0.252 117 G C 0.003 174.964 174.900 0.103 0.000 1.014 117 G CA -0.212 44.983 45.100 0.158 0.000 0.619 117 G HN 0.444 nan 8.290 nan 0.000 0.525 118 K N 1.673 122.129 120.400 0.093 0.000 2.322 118 K HA 0.473 4.956 4.320 0.273 0.000 0.283 118 K C 0.613 177.245 176.600 0.054 0.000 1.042 118 K CA -0.122 56.189 56.287 0.041 0.000 0.958 118 K CB 1.241 33.728 32.500 -0.021 0.000 0.984 118 K HN 0.199 nan 8.250 nan 0.000 0.473 119 S N 1.929 117.643 115.700 0.023 0.000 2.563 119 S HA 0.000 4.634 4.470 0.273 0.000 0.284 119 S C 0.409 175.021 174.600 0.019 0.000 1.331 119 S CA -0.484 57.722 58.200 0.011 0.000 1.047 119 S CB 0.272 63.466 63.200 -0.010 0.000 0.859 119 S HN 0.422 nan 8.310 nan 0.000 0.514 120 L N 3.436 124.653 121.223 -0.009 0.000 2.477 120 L HA 0.416 4.919 4.340 0.273 0.000 0.272 120 L C 1.204 178.036 176.870 -0.063 0.000 1.157 120 L CA 1.049 55.856 54.840 -0.055 0.000 0.889 120 L CB -0.291 41.651 42.059 -0.196 0.000 1.158 120 L HN 0.976 nan 8.230 nan 0.000 0.473 121 G N 1.766 110.583 108.800 0.029 0.000 2.253 121 G HA2 -0.296 3.827 3.960 0.273 0.000 0.209 121 G HA3 -0.296 3.827 3.960 0.273 0.000 0.209 121 G C 0.708 175.637 174.900 0.048 0.000 0.997 121 G CA 0.319 45.447 45.100 0.046 0.000 0.640 121 G HN 0.746 nan 8.290 nan 0.000 0.496 122 T N -1.835 112.737 114.554 0.031 0.000 3.069 122 T HA 0.672 5.185 4.350 0.273 0.000 0.252 122 T C 0.851 175.541 174.700 -0.016 0.000 1.053 122 T CA 0.428 62.528 62.100 0.000 0.000 0.964 122 T CB 0.225 69.079 68.868 -0.023 0.000 1.005 122 T HN 0.215 nan 8.240 nan 0.000 0.532 123 M N 1.294 120.905 119.600 0.018 0.000 2.658 123 M HA 0.562 5.206 4.480 0.273 0.000 0.295 123 M C -2.887 173.494 176.300 0.135 0.000 1.248 123 M CA -2.681 52.600 55.300 -0.032 0.000 0.843 123 M CB 1.429 33.843 32.600 -0.310 0.000 1.749 123 M HN -0.224 nan 8.290 nan 0.000 0.464 124 P HA 0.177 nan 4.420 nan 0.000 0.266 124 P C -2.494 174.933 177.300 0.212 0.000 1.193 124 P CA -0.554 62.644 63.100 0.162 0.000 0.770 124 P CB -0.687 31.098 31.700 0.142 0.000 0.836 125 P HA 0.048 nan 4.420 nan 0.000 0.264 125 P C -0.705 176.466 177.300 -0.214 0.000 1.183 125 P CA 0.888 63.731 63.100 -0.428 0.000 0.763 125 P CB 0.167 31.434 31.700 -0.723 0.000 0.807 126 H N 0.067 118.852 119.070 -0.476 0.000 3.094 126 H HA 0.104 4.823 4.556 0.271 0.000 0.335 126 H C 0.595 175.378 175.328 -0.909 0.000 1.254 126 H CA -0.732 54.741 56.048 -0.959 0.000 1.240 126 H CB 1.157 30.365 29.762 -0.923 0.000 1.936 126 H HN 0.109 nan 8.280 nan 0.000 0.536 127 V N 4.245 123.610 119.914 -0.916 0.000 2.380 127 V HA -0.261 4.022 4.120 0.273 0.000 0.251 127 V C 1.369 177.325 176.094 -0.230 0.000 1.063 127 V CA 2.272 64.346 62.300 -0.378 0.000 1.055 127 V CB -0.725 30.995 31.823 -0.171 0.000 0.657 127 V HN 0.692 nan 8.190 nan 0.000 0.455 128 F N 1.106 120.690 119.950 -0.610 0.000 2.171 128 F HA -0.045 4.644 4.527 0.270 0.000 0.300 128 F C 2.529 177.835 175.800 -0.823 0.000 1.090 128 F CA 1.001 58.342 58.000 -1.099 0.000 1.293 128 F CB -1.714 36.345 39.000 -1.568 0.000 1.013 128 F HN 0.287 nan 8.300 nan 0.000 0.486 129 A N 0.178 122.821 122.820 -0.295 0.000 1.969 129 A HA -0.101 4.382 4.320 0.273 0.000 0.218 129 A C 2.284 179.882 177.584 0.024 0.000 1.169 129 A CA 1.132 53.201 52.037 0.053 0.000 0.635 129 A CB -0.717 18.458 19.000 0.293 0.000 0.810 129 A HN 0.222 nan 8.150 nan 0.000 0.445 130 I N -0.149 120.418 120.570 -0.005 0.000 2.202 130 I HA -0.204 4.129 4.170 0.273 0.000 0.242 130 I C 2.959 179.085 176.117 0.015 0.000 1.091 130 I CA 1.409 62.721 61.300 0.019 0.000 1.368 130 I CB -1.558 36.463 38.000 0.034 0.000 1.058 130 I HN 0.361 nan 8.210 nan 0.000 0.410 131 A N 0.351 123.159 122.820 -0.021 0.000 1.908 131 A HA -0.272 4.212 4.320 0.273 0.000 0.218 131 A C 2.205 179.896 177.584 0.177 0.000 1.181 131 A CA 2.091 54.168 52.037 0.067 0.000 0.627 131 A CB -0.769 18.254 19.000 0.038 0.000 0.818 131 A HN 0.445 nan 8.150 nan 0.000 0.445 132 D N -0.842 119.626 120.400 0.113 0.000 2.178 132 D HA -0.142 4.661 4.640 0.273 0.000 0.202 132 D C 1.972 178.405 176.300 0.222 0.000 0.974 132 D CA 1.358 55.550 54.000 0.320 0.000 0.841 132 D CB -0.033 40.946 40.800 0.299 0.000 0.953 132 D HN 0.549 nan 8.370 nan 0.000 0.478 133 K N 0.554 121.018 120.400 0.107 0.000 2.057 133 K HA -0.110 4.374 4.320 0.273 0.000 0.206 133 K C 2.077 178.682 176.600 0.007 0.000 1.050 133 K CA 1.175 57.487 56.287 0.041 0.000 0.935 133 K CB -0.066 32.437 32.500 0.004 0.000 0.715 133 K HN -0.012 nan 8.250 nan 0.000 0.439 134 A N 0.846 123.682 122.820 0.027 0.000 1.908 134 A HA -0.197 4.287 4.320 0.273 0.000 0.218 134 A C 2.039 179.583 177.584 -0.066 0.000 1.181 134 A CA 1.579 53.605 52.037 -0.018 0.000 0.627 134 A CB -0.912 18.104 19.000 0.027 0.000 0.818 134 A HN 0.547 nan 8.150 nan 0.000 0.445 135 F N 0.346 120.221 119.950 -0.124 0.000 2.075 135 F HA -0.196 4.494 4.527 0.272 0.000 0.297 135 F C 2.522 178.123 175.800 -0.332 0.000 1.113 135 F CA 2.075 59.909 58.000 -0.276 0.000 1.218 135 F CB -0.148 38.727 39.000 -0.208 0.000 0.984 135 F HN 0.097 nan 8.300 nan 0.000 0.472 136 R N 0.140 120.507 120.500 -0.223 0.000 2.096 136 R HA -0.155 4.348 4.340 0.273 0.000 0.235 136 R C 1.766 177.856 176.300 -0.350 0.000 1.127 136 R CA 1.593 57.513 56.100 -0.300 0.000 0.968 136 R CB -0.500 29.753 30.300 -0.078 0.000 0.861 136 R HN 0.336 nan 8.270 nan 0.000 0.440 137 D N 0.341 120.572 120.400 -0.281 0.000 2.149 137 D HA -0.159 4.645 4.640 0.273 0.000 0.201 137 D C 1.756 177.815 176.300 -0.402 0.000 0.972 137 D CA 0.919 54.753 54.000 -0.277 0.000 0.835 137 D CB -0.101 40.580 40.800 -0.197 0.000 0.966 137 D HN 0.175 nan 8.370 nan 0.000 0.476 138 M N 0.441 119.728 119.600 -0.522 0.000 2.117 138 M HA -0.186 4.458 4.480 0.273 0.000 0.262 138 M C 2.036 177.795 176.300 -0.903 0.000 1.065 138 M CA 1.477 56.353 55.300 -0.708 0.000 1.114 138 M CB 0.130 32.289 32.600 -0.735 0.000 1.361 138 M HN -0.179 nan 8.290 nan 0.000 0.408 139 K N -0.478 119.397 120.400 -0.876 0.000 2.025 139 K HA -0.109 4.374 4.320 0.273 0.000 0.207 139 K C 1.617 177.921 176.600 -0.493 0.000 1.049 139 K CA 1.619 57.455 56.287 -0.751 0.000 0.933 139 K CB 0.042 32.028 32.500 -0.856 0.000 0.714 139 K HN 0.285 nan 8.250 nan 0.000 0.438 140 V N 1.208 120.873 119.914 -0.415 0.000 2.379 140 V HA -0.136 4.148 4.120 0.273 0.000 0.243 140 V C 2.026 177.975 176.094 -0.242 0.000 1.035 140 V CA 1.260 63.397 62.300 -0.272 0.000 1.035 140 V CB -0.163 31.528 31.823 -0.220 0.000 0.673 140 V HN 0.289 nan 8.190 nan 0.000 0.457 141 L N -0.191 120.865 121.223 -0.278 0.000 2.591 141 L HA 0.156 4.659 4.340 0.273 0.000 0.228 141 L C 0.622 177.344 176.870 -0.246 0.000 1.133 141 L CA 0.117 54.823 54.840 -0.223 0.000 0.880 141 L CB -0.227 41.710 42.059 -0.202 0.000 1.033 141 L HN 0.282 nan 8.230 nan 0.000 0.450 142 K N 0.806 120.975 120.400 -0.385 0.000 3.150 142 K HA -0.188 4.295 4.320 0.273 0.000 0.267 142 K C -0.639 175.773 176.600 -0.314 0.000 1.028 142 K CA 0.535 56.580 56.287 -0.403 0.000 0.753 142 K CB -1.777 30.696 32.500 -0.044 0.000 1.288 142 K HN 0.180 nan 8.250 nan 0.000 0.473 143 L N -0.239 120.699 121.223 -0.475 0.000 2.438 143 L HA 0.330 4.833 4.340 0.273 0.000 0.270 143 L C -0.082 176.571 176.870 -0.363 0.000 0.972 143 L CA -0.223 54.448 54.840 -0.282 0.000 0.831 143 L CB 2.229 44.158 42.059 -0.217 0.000 1.273 143 L HN 0.151 nan 8.230 nan 0.000 0.405 144 S N 3.132 118.643 115.700 -0.316 0.000 2.573 144 S HA 0.404 5.038 4.470 0.273 0.000 0.277 144 S C -0.467 173.869 174.600 -0.440 0.000 1.346 144 S CA -0.411 57.455 58.200 -0.557 0.000 1.034 144 S CB 0.420 62.981 63.200 -1.066 0.000 0.879 144 S HN 0.569 nan 8.310 nan 0.000 0.528 145 Q N 0.946 120.510 119.800 -0.394 0.000 2.394 145 Q HA 0.549 5.053 4.340 0.273 0.000 0.273 145 Q C -0.962 175.072 176.000 0.056 0.000 1.089 145 Q CA -0.500 55.217 55.803 -0.144 0.000 0.812 145 Q CB 2.190 30.854 28.738 -0.124 0.000 1.353 145 Q HN 0.558 nan 8.270 nan 0.000 0.438 146 S N 1.152 116.915 115.700 0.105 0.000 2.532 146 S HA 0.709 5.342 4.470 0.273 0.000 0.301 146 S C -0.383 174.242 174.600 0.043 0.000 1.083 146 S CA -0.558 57.775 58.200 0.222 0.000 1.025 146 S CB 0.924 64.247 63.200 0.206 0.000 1.056 146 S HN 0.404 nan 8.310 nan 0.000 0.494 147 I N 3.015 123.624 120.570 0.064 0.000 2.468 147 I HA 0.407 4.740 4.170 0.273 0.000 0.284 147 I C -1.215 174.887 176.117 -0.025 0.000 1.038 147 I CA -0.261 61.015 61.300 -0.040 0.000 1.083 147 I CB 1.261 39.265 38.000 0.006 0.000 1.223 147 I HN 0.436 nan 8.210 nan 0.000 0.443 148 I N 7.147 127.625 120.570 -0.153 0.000 2.328 148 I HA 0.329 4.663 4.170 0.273 0.000 0.287 148 I C -0.406 175.702 176.117 -0.015 0.000 1.012 148 I CA -0.710 60.548 61.300 -0.071 0.000 1.195 148 I CB 1.477 39.406 38.000 -0.118 0.000 1.350 148 I HN 0.170 nan 8.210 nan 0.000 0.464 149 V N 5.406 125.332 119.914 0.020 0.000 2.398 149 V HA 0.448 4.731 4.120 0.273 0.000 0.286 149 V C 0.343 176.453 176.094 0.027 0.000 1.026 149 V CA -0.494 61.824 62.300 0.029 0.000 0.868 149 V CB 1.510 33.353 31.823 0.034 0.000 0.982 149 V HN 0.841 nan 8.190 nan 0.000 0.443 150 S N 3.059 118.775 115.700 0.028 0.000 2.718 150 S HA 1.008 5.642 4.470 0.273 0.000 0.300 150 S C -0.014 174.612 174.600 0.043 0.000 1.117 150 S CA -0.041 58.182 58.200 0.039 0.000 1.002 150 S CB 1.974 65.198 63.200 0.040 0.000 1.092 150 S HN 2.000 nan 8.310 nan 0.000 0.542 151 G N 0.264 109.095 108.800 0.051 0.000 2.321 151 G HA2 0.221 4.344 3.960 0.273 0.000 0.339 151 G HA3 0.221 4.344 3.960 0.273 0.000 0.339 151 G C -1.375 173.546 174.900 0.035 0.000 1.518 151 G CA -1.072 44.050 45.100 0.038 0.000 0.994 151 G HN 0.806 nan 8.290 nan 0.000 0.668 152 E N 0.096 120.310 120.200 0.024 0.000 2.422 152 E HA 0.372 4.885 4.350 0.273 0.000 0.260 152 E C 0.691 177.307 176.600 0.026 0.000 1.108 152 E CA 0.291 56.704 56.400 0.022 0.000 0.943 152 E CB 0.395 30.099 29.700 0.006 0.000 0.961 152 E HN 0.471 nan 8.360 nan 0.000 0.443 153 S N 0.783 116.505 115.700 0.036 0.000 2.549 153 S HA 0.281 4.914 4.470 0.273 0.000 0.286 153 S C 1.000 175.627 174.600 0.045 0.000 1.314 153 S CA 0.227 58.451 58.200 0.041 0.000 1.062 153 S CB 0.836 64.068 63.200 0.054 0.000 0.865 153 S HN 0.859 nan 8.310 nan 0.000 0.498 154 G N 1.423 110.248 108.800 0.042 0.000 2.148 154 G HA2 -0.207 3.916 3.960 0.273 0.000 0.254 154 G HA3 -0.207 3.916 3.960 0.273 0.000 0.254 154 G C 0.507 175.436 174.900 0.048 0.000 0.981 154 G CA 0.104 45.241 45.100 0.062 0.000 0.670 154 G HN 1.173 nan 8.290 nan 0.000 0.528 155 A N -0.180 122.643 122.820 0.004 0.000 2.337 155 A HA 0.621 5.105 4.320 0.273 0.000 0.227 155 A C 2.223 179.753 177.584 -0.090 0.000 1.259 155 A CA 1.513 53.525 52.037 -0.042 0.000 0.870 155 A CB -0.473 18.511 19.000 -0.027 0.000 0.927 155 A HN 2.410 nan 8.150 nan 0.000 0.497 156 G N -0.378 108.370 108.800 -0.087 0.000 2.144 156 G HA2 -0.242 3.882 3.960 0.273 0.000 0.218 156 G HA3 -0.242 3.882 3.960 0.273 0.000 0.218 156 G C 0.920 175.786 174.900 -0.058 0.000 0.988 156 G CA 0.516 45.556 45.100 -0.100 0.000 0.659 156 G HN 0.491 nan 8.290 nan 0.000 0.522 157 K N -0.334 120.043 120.400 -0.038 0.000 2.062 157 K HA -0.016 4.467 4.320 0.273 0.000 0.205 157 K C 2.563 179.131 176.600 -0.053 0.000 1.051 157 K CA 1.593 57.866 56.287 -0.025 0.000 0.941 157 K CB -0.326 32.169 32.500 -0.009 0.000 0.719 157 K HN 0.302 nan 8.250 nan 0.000 0.440 158 T N 1.720 116.236 114.554 -0.064 0.000 2.635 158 T HA -0.167 4.346 4.350 0.273 0.000 0.267 158 T C 1.642 176.235 174.700 -0.178 0.000 1.040 158 T CA 1.778 63.825 62.100 -0.088 0.000 1.156 158 T CB -0.202 68.628 68.868 -0.064 0.000 0.863 158 T HN 0.258 nan 8.240 nan 0.000 0.430 159 E N 1.021 121.079 120.200 -0.237 0.000 2.077 159 E HA -0.084 4.430 4.350 0.273 0.000 0.193 159 E C 2.215 178.433 176.600 -0.637 0.000 0.989 159 E CA 0.679 56.780 56.400 -0.498 0.000 0.800 159 E CB -0.286 29.169 29.700 -0.407 0.000 0.746 159 E HN 0.410 nan 8.360 nan 0.000 0.452 160 N N -0.080 118.488 118.700 -0.220 0.000 2.084 160 N HA -0.156 4.748 4.740 0.273 0.000 0.190 160 N C 1.512 177.017 175.510 -0.010 0.000 1.030 160 N CA 1.767 54.824 53.050 0.012 0.000 0.849 160 N CB -0.012 38.523 38.487 0.080 0.000 1.012 160 N HN 0.123 nan 8.380 nan 0.000 0.423 161 T N 1.385 115.900 114.554 -0.064 0.000 2.720 161 T HA -0.087 4.427 4.350 0.273 0.000 0.268 161 T C 1.857 176.517 174.700 -0.067 0.000 1.037 161 T CA 1.128 63.203 62.100 -0.041 0.000 1.144 161 T CB -0.077 68.761 68.868 -0.050 0.000 0.864 161 T HN 0.331 nan 8.240 nan 0.000 0.444 162 K N 0.168 120.455 120.400 -0.189 0.000 2.063 162 K HA -0.048 4.436 4.320 0.273 0.000 0.208 162 K C 2.012 178.564 176.600 -0.081 0.000 1.048 162 K CA 1.395 57.559 56.287 -0.206 0.000 0.928 162 K CB -0.339 31.951 32.500 -0.351 0.000 0.713 162 K HN 0.414 nan 8.250 nan 0.000 0.442 163 F N 0.342 120.310 119.950 0.031 0.000 2.186 163 F HA -0.221 4.476 4.527 0.284 0.000 0.299 163 F C 2.335 178.291 175.800 0.262 0.000 1.090 163 F CA 0.369 58.465 58.000 0.159 0.000 1.307 163 F CB -0.321 38.743 39.000 0.106 0.000 1.019 163 F HN -0.194 nan 8.300 nan 0.000 0.489 164 V N 0.814 120.927 119.914 0.331 0.000 2.261 164 V HA -0.295 3.988 4.120 0.273 0.000 0.246 164 V C 2.287 178.507 176.094 0.210 0.000 1.047 164 V CA 1.673 64.128 62.300 0.258 0.000 1.015 164 V CB -0.680 31.236 31.823 0.156 0.000 0.642 164 V HN 0.314 nan 8.190 nan 0.000 0.446 165 L N -0.310 120.982 121.223 0.114 0.000 2.046 165 L HA -0.186 4.318 4.340 0.273 0.000 0.208 165 L C 2.746 179.638 176.870 0.036 0.000 1.077 165 L CA 1.765 56.632 54.840 0.044 0.000 0.747 165 L CB -0.755 41.286 42.059 -0.030 0.000 0.896 165 L HN 0.280 nan 8.230 nan 0.000 0.432 166 R N 0.115 120.656 120.500 0.069 0.000 2.091 166 R HA -0.254 4.249 4.340 0.273 0.000 0.238 166 R C 2.303 178.589 176.300 -0.024 0.000 1.136 166 R CA 1.794 57.919 56.100 0.041 0.000 0.959 166 R CB -1.158 29.216 30.300 0.123 0.000 0.856 166 R HN 0.376 nan 8.270 nan 0.000 0.437 167 Y N 0.150 120.385 120.300 -0.108 0.000 2.165 167 Y HA -0.149 4.563 4.550 0.270 0.000 0.286 167 Y C 1.794 177.531 175.900 -0.271 0.000 1.155 167 Y CA 2.029 59.923 58.100 -0.343 0.000 1.164 167 Y CB -0.090 38.149 38.460 -0.368 0.000 0.978 167 Y HN 0.078 nan 8.280 nan 0.000 0.513 168 L N -0.660 120.542 121.223 -0.035 0.000 2.109 168 L HA -0.149 4.354 4.340 0.273 0.000 0.207 168 L C 2.506 179.309 176.870 -0.113 0.000 1.086 168 L CA 1.648 56.491 54.840 0.004 0.000 0.760 168 L CB -0.756 41.459 42.059 0.262 0.000 0.910 168 L HN 0.370 nan 8.230 nan 0.000 0.437 169 T N -3.445 111.030 114.554 -0.133 0.000 2.851 169 T HA -0.189 4.324 4.350 0.273 0.000 0.262 169 T C 1.654 176.233 174.700 -0.200 0.000 1.043 169 T CA 0.965 62.980 62.100 -0.142 0.000 1.140 169 T CB -0.185 68.611 68.868 -0.119 0.000 0.872 169 T HN 0.300 nan 8.240 nan 0.000 0.446 170 E N 1.091 121.133 120.200 -0.263 0.000 2.150 170 E HA -0.084 4.429 4.350 0.273 0.000 0.193 170 E C 2.069 178.412 176.600 -0.428 0.000 0.985 170 E CA 1.083 57.307 56.400 -0.292 0.000 0.814 170 E CB -0.058 29.481 29.700 -0.269 0.000 0.752 170 E HN 0.525 nan 8.360 nan 0.000 0.466 171 S N -0.839 114.437 115.700 -0.707 0.000 2.387 171 S HA 0.005 4.638 4.470 0.273 0.000 0.221 171 S C 0.754 174.836 174.600 -0.863 0.000 1.041 171 S CA 0.577 58.142 58.200 -1.057 0.000 0.959 171 S CB 0.021 62.038 63.200 -1.971 0.000 0.843 171 S HN 0.394 nan 8.310 nan 0.000 0.488 172 Y N 0.907 121.009 120.300 -0.330 0.000 2.682 172 Y HA 0.467 5.180 4.550 0.271 0.000 0.251 172 Y C 0.984 176.860 175.900 -0.040 0.000 1.172 172 Y CA -0.843 57.131 58.100 -0.211 0.000 1.186 172 Y CB 0.685 38.900 38.460 -0.408 0.000 1.216 172 Y HN 0.227 nan 8.280 nan 0.000 0.540 173 G N 0.172 108.968 108.800 -0.006 0.000 2.537 173 G HA2 0.450 4.574 3.960 0.273 0.000 0.323 173 G HA3 0.450 4.574 3.960 0.273 0.000 0.323 173 G C -0.380 174.503 174.900 -0.028 0.000 1.207 173 G CA -0.763 44.324 45.100 -0.023 0.000 0.976 173 G HN 0.015 nan 8.290 nan 0.000 0.487 174 T N -2.526 112.015 114.554 -0.022 0.000 3.378 174 T HA 0.494 5.007 4.350 0.273 0.000 0.359 174 T C 1.288 175.974 174.700 -0.023 0.000 1.815 174 T CA 0.540 62.631 62.100 -0.016 0.000 1.509 174 T CB 0.306 69.176 68.868 0.003 0.000 1.049 174 T HN 2.169 nan 8.240 nan 0.000 0.705 175 G N 2.280 111.059 108.800 -0.036 0.000 2.284 175 G HA2 -0.300 3.824 3.960 0.273 0.000 0.261 175 G HA3 -0.300 3.824 3.960 0.273 0.000 0.261 175 G C -0.018 174.865 174.900 -0.028 0.000 0.997 175 G CA 0.259 45.340 45.100 -0.031 0.000 0.621 175 G HN 0.898 nan 8.290 nan 0.000 0.534 176 Q N 1.727 121.510 119.800 -0.028 0.000 2.295 176 Q HA 0.506 5.010 4.340 0.273 0.000 0.259 176 Q C -0.614 175.363 176.000 -0.038 0.000 0.976 176 Q CA 0.239 56.029 55.803 -0.021 0.000 0.923 176 Q CB 0.486 29.217 28.738 -0.011 0.000 1.185 176 Q HN 0.577 nan 8.270 nan 0.000 0.410 177 D N 2.712 123.095 120.400 -0.028 0.000 2.563 177 D HA 0.102 4.905 4.640 0.273 0.000 0.222 177 D C 0.123 176.394 176.300 -0.048 0.000 1.145 177 D CA -0.338 53.638 54.000 -0.040 0.000 1.001 177 D CB 0.212 40.996 40.800 -0.026 0.000 1.049 177 D HN 0.382 nan 8.370 nan 0.000 0.515 178 I N 1.832 122.350 120.570 -0.087 0.000 2.315 178 I HA -0.189 4.145 4.170 0.273 0.000 0.248 178 I C 1.945 177.926 176.117 -0.226 0.000 1.117 178 I CA 1.038 62.242 61.300 -0.160 0.000 1.404 178 I CB -0.696 37.176 38.000 -0.214 0.000 1.071 178 I HN 0.391 nan 8.210 nan 0.000 0.419 179 D N 0.412 120.713 120.400 -0.165 0.000 2.219 179 D HA -0.218 4.585 4.640 0.273 0.000 0.205 179 D C 1.311 177.554 176.300 -0.096 0.000 0.970 179 D CA 0.991 54.906 54.000 -0.142 0.000 0.851 179 D CB -0.471 40.272 40.800 -0.094 0.000 0.943 179 D HN 0.279 nan 8.370 nan 0.000 0.488 180 D N 0.387 120.749 120.400 -0.064 0.000 2.183 180 D HA -0.055 4.748 4.640 0.273 0.000 0.203 180 D C 2.168 178.464 176.300 -0.006 0.000 0.969 180 D CA 0.463 54.445 54.000 -0.030 0.000 0.842 180 D CB 0.071 40.861 40.800 -0.017 0.000 0.957 180 D HN 0.221 nan 8.370 nan 0.000 0.484 181 R N 0.462 120.967 120.500 0.009 0.000 2.090 181 R HA 0.030 4.534 4.340 0.273 0.000 0.228 181 R C 2.461 178.852 176.300 0.152 0.000 1.110 181 R CA 0.297 56.463 56.100 0.111 0.000 0.973 181 R CB -0.585 29.876 30.300 0.269 0.000 0.869 181 R HN 0.296 nan 8.270 nan 0.000 0.440 182 I N 0.442 121.019 120.570 0.011 0.000 2.252 182 I HA -0.193 4.140 4.170 0.273 0.000 0.245 182 I C 2.322 178.454 176.117 0.026 0.000 1.102 182 I CA 0.836 62.148 61.300 0.021 0.000 1.385 182 I CB -0.253 37.654 38.000 -0.156 0.000 1.064 182 I HN -0.169 nan 8.210 nan 0.000 0.414 183 V N 0.557 120.466 119.914 -0.008 0.000 2.407 183 V HA -0.261 4.022 4.120 0.273 0.000 0.248 183 V C 2.284 178.385 176.094 0.012 0.000 1.055 183 V CA 1.844 64.139 62.300 -0.007 0.000 1.049 183 V CB -0.623 31.184 31.823 -0.026 0.000 0.662 183 V HN 0.427 nan 8.190 nan 0.000 0.455 184 E N 0.165 120.378 120.200 0.021 0.000 2.208 184 E HA -0.081 4.432 4.350 0.273 0.000 0.193 184 E C 2.181 178.795 176.600 0.023 0.000 0.988 184 E CA 1.090 57.502 56.400 0.019 0.000 0.828 184 E CB -0.267 29.445 29.700 0.020 0.000 0.763 184 E HN 0.602 nan 8.360 nan 0.000 0.478 185 A N 0.810 123.655 122.820 0.041 0.000 2.119 185 A HA -0.101 4.382 4.320 0.273 0.000 0.216 185 A C 1.778 179.387 177.584 0.041 0.000 1.152 185 A CA 0.848 52.903 52.037 0.030 0.000 0.708 185 A CB -0.357 18.671 19.000 0.047 0.000 0.805 185 A HN 0.128 nan 8.150 nan 0.000 0.460 186 N N 0.667 119.398 118.700 0.052 0.000 2.061 186 N HA -0.110 4.793 4.740 0.273 0.000 0.193 186 N C -1.170 174.397 175.510 0.096 0.000 1.030 186 N CA 1.997 55.092 53.050 0.075 0.000 0.856 186 N CB -0.662 37.860 38.487 0.059 0.000 1.023 186 N HN 0.267 nan 8.380 nan 0.000 0.424 187 P HA -0.105 nan 4.420 nan 0.000 0.219 187 P C 1.269 178.640 177.300 0.120 0.000 1.146 187 P CA 0.623 63.774 63.100 0.084 0.000 0.808 187 P CB 0.074 31.800 31.700 0.043 0.000 0.779 188 L N -0.973 120.316 121.223 0.110 0.000 2.023 188 L HA -0.059 4.445 4.340 0.273 0.000 0.205 188 L C 2.174 179.186 176.870 0.237 0.000 1.073 188 L CA 1.678 56.613 54.840 0.158 0.000 0.745 188 L CB -1.463 40.630 42.059 0.057 0.000 0.900 188 L HN -0.119 nan 8.230 nan 0.000 0.435 189 L N -0.532 120.786 121.223 0.157 0.000 2.012 189 L HA -0.239 4.264 4.340 0.273 0.000 0.210 189 L C 2.532 179.614 176.870 0.354 0.000 1.073 189 L CA 1.622 56.582 54.840 0.199 0.000 0.748 189 L CB -0.599 41.576 42.059 0.192 0.000 0.891 189 L HN 0.381 nan 8.230 nan 0.000 0.431 190 E N -0.054 120.337 120.200 0.319 0.000 2.153 190 E HA -0.198 4.315 4.350 0.273 0.000 0.194 190 E C 2.256 179.078 176.600 0.371 0.000 0.988 190 E CA 1.039 57.652 56.400 0.356 0.000 0.811 190 E CB -0.109 29.767 29.700 0.293 0.000 0.746 190 E HN 0.511 nan 8.360 nan 0.000 0.466 191 A N 0.611 123.611 122.820 0.299 0.000 1.933 191 A HA -0.132 4.351 4.320 0.273 0.000 0.218 191 A C 1.714 179.321 177.584 0.037 0.000 1.175 191 A CA 1.132 53.275 52.037 0.175 0.000 0.628 191 A CB -0.473 18.547 19.000 0.035 0.000 0.814 191 A HN 0.173 nan 8.150 nan 0.000 0.444 192 F N -1.245 118.822 119.950 0.195 0.000 2.698 192 F HA 0.263 4.903 4.527 0.188 0.000 0.295 192 F C 2.117 177.842 175.800 -0.124 0.000 1.124 192 F CA 0.749 58.820 58.000 0.119 0.000 1.426 192 F CB 0.420 39.480 39.000 0.100 0.000 1.120 192 F HN 0.298 nan 8.300 nan 0.000 0.583 193 G N -1.153 107.762 108.800 0.192 0.000 3.342 193 G HA2 0.162 4.285 3.960 0.273 0.000 0.252 193 G HA3 0.162 4.285 3.960 0.273 0.000 0.252 193 G C 0.056 175.243 174.900 0.480 0.000 1.011 193 G CA -0.217 44.906 45.100 0.037 0.000 0.869 193 G HN 0.124 nan 8.290 nan 0.000 0.514 194 N N -0.111 118.833 118.700 0.408 0.000 2.402 194 N HA 0.728 5.631 4.740 0.273 0.000 0.294 194 N C -1.010 174.332 175.510 -0.280 0.000 1.203 194 N CA -0.360 52.788 53.050 0.163 0.000 0.838 194 N CB 2.322 40.907 38.487 0.162 0.000 1.306 194 N HN 0.174 nan 8.380 nan 0.000 0.510 195 A N 0.623 123.204 122.820 -0.398 0.000 2.608 195 A HA 0.280 4.764 4.320 0.273 0.000 0.292 195 A C -1.294 176.247 177.584 -0.071 0.000 1.066 195 A CA -0.722 51.065 52.037 -0.416 0.000 0.676 195 A CB 1.354 20.136 19.000 -0.364 0.000 1.277 195 A HN 0.589 nan 8.150 nan 0.000 0.413 196 K N 1.334 121.798 120.400 0.106 0.000 2.379 196 K HA 0.426 4.910 4.320 0.273 0.000 0.284 196 K C 0.211 176.848 176.600 0.060 0.000 1.044 196 K CA 0.660 57.054 56.287 0.179 0.000 0.974 196 K CB 0.300 32.969 32.500 0.281 0.000 0.962 196 K HN 0.900 nan 8.250 nan 0.000 0.474 197 T N -0.667 113.928 114.554 0.068 0.000 2.922 197 T HA 0.171 4.684 4.350 0.273 0.000 0.281 197 T C 1.470 176.200 174.700 0.050 0.000 1.005 197 T CA -0.938 61.182 62.100 0.034 0.000 0.982 197 T CB 1.237 70.135 68.868 0.049 0.000 1.158 197 T HN 0.240 nan 8.240 nan 0.000 0.566 198 V N 0.830 120.760 119.914 0.026 0.000 2.324 198 V HA -0.165 4.118 4.120 0.273 0.000 0.250 198 V C 2.772 178.922 176.094 0.093 0.000 1.060 198 V CA 1.949 64.277 62.300 0.046 0.000 1.042 198 V CB -0.952 30.892 31.823 0.034 0.000 0.650 198 V HN 0.800 nan 8.190 nan 0.000 0.450 199 R N -0.678 119.898 120.500 0.128 0.000 2.265 199 R HA 0.204 4.707 4.340 0.273 0.000 0.194 199 R C 0.028 176.382 176.300 0.090 0.000 0.931 199 R CA 0.213 56.379 56.100 0.109 0.000 1.032 199 R CB 0.262 30.631 30.300 0.114 0.000 0.980 199 R HN 0.581 nan 8.270 nan 0.000 0.497 200 N N -0.141 118.619 118.700 0.100 0.000 2.397 200 N HA 0.166 5.070 4.740 0.273 0.000 0.291 200 N C -0.667 174.917 175.510 0.123 0.000 1.065 200 N CA -0.548 52.560 53.050 0.097 0.000 0.884 200 N CB 1.600 40.138 38.487 0.084 0.000 1.551 200 N HN -0.165 nan 8.380 nan 0.000 0.487 201 N N 0.717 119.491 118.700 0.123 0.000 2.331 201 N HA -0.096 4.807 4.740 0.273 0.000 0.180 201 N C -0.318 175.263 175.510 0.118 0.000 1.019 201 N CA 1.010 54.152 53.050 0.153 0.000 0.881 201 N CB 0.026 38.522 38.487 0.016 0.000 0.972 201 N HN 0.592 nan 8.380 nan 0.000 0.435 202 N N 0.302 119.061 118.700 0.098 0.000 2.723 202 N HA 0.061 4.965 4.740 0.273 0.000 0.290 202 N C -1.311 174.286 175.510 0.145 0.000 1.882 202 N CA 0.005 53.161 53.050 0.177 0.000 0.851 202 N CB 0.346 38.883 38.487 0.083 0.000 1.234 202 N HN -0.152 nan 8.380 nan 0.000 0.491 203 S N 0.588 116.357 115.700 0.115 0.000 2.452 203 S HA 0.154 4.788 4.470 0.273 0.000 0.284 203 S C 0.054 174.711 174.600 0.095 0.000 1.171 203 S CA -0.288 57.963 58.200 0.086 0.000 1.064 203 S CB 1.100 64.343 63.200 0.072 0.000 0.967 203 S HN 0.374 nan 8.310 nan 0.000 0.484 204 S N 3.853 119.605 115.700 0.087 0.000 2.498 204 S HA 0.237 4.871 4.470 0.273 0.000 0.281 204 S C 0.669 175.338 174.600 0.113 0.000 1.265 204 S CA -0.533 57.721 58.200 0.090 0.000 1.071 204 S CB 0.019 63.174 63.200 -0.075 0.000 0.894 204 S HN 0.693 nan 8.310 nan 0.000 0.491 205 R N 3.966 124.627 120.500 0.269 0.000 2.609 205 R HA 0.249 4.752 4.340 0.273 0.000 0.326 205 R C -0.488 176.030 176.300 0.364 0.000 1.090 205 R CA -0.045 56.227 56.100 0.287 0.000 1.072 205 R CB -1.106 29.405 30.300 0.351 0.000 1.330 205 R HN 0.668 nan 8.270 nan 0.000 0.572 206 F N -3.381 116.657 119.950 0.148 0.000 2.626 206 F HA 0.773 5.417 4.527 0.196 0.000 0.311 206 F C 0.157 176.078 175.800 0.201 0.000 1.088 206 F CA -1.786 56.314 58.000 0.166 0.000 0.949 206 F CB 0.945 40.043 39.000 0.164 0.000 1.322 206 F HN -0.100 nan 8.300 nan 0.000 0.461 207 G N 2.325 111.257 108.800 0.220 0.000 2.349 207 G HA2 0.400 4.524 3.960 0.273 0.000 0.281 207 G HA3 0.400 4.524 3.960 0.273 0.000 0.281 207 G C -1.352 173.722 174.900 0.291 0.000 1.182 207 G CA -0.666 44.523 45.100 0.148 0.000 0.899 207 G HN 0.807 nan 8.290 nan 0.000 0.455 208 K N 2.330 122.783 120.400 0.087 0.000 2.323 208 K HA 0.494 4.977 4.320 0.273 0.000 0.259 208 K C -1.865 174.934 176.600 0.331 0.000 0.947 208 K CA -0.864 55.557 56.287 0.223 0.000 0.819 208 K CB 1.363 33.832 32.500 -0.051 0.000 1.109 208 K HN 0.298 nan 8.250 nan 0.000 0.429 209 F N 5.250 125.333 119.950 0.221 0.000 2.610 209 F HA 0.283 4.972 4.527 0.269 0.000 0.355 209 F C -1.305 174.585 175.800 0.149 0.000 1.140 209 F CA -0.711 57.394 58.000 0.176 0.000 1.037 209 F CB 1.088 40.237 39.000 0.248 0.000 1.287 209 F HN 0.104 nan 8.300 nan 0.000 0.457 210 V N 5.762 125.538 119.914 -0.229 0.000 2.364 210 V HA 0.302 4.586 4.120 0.273 0.000 0.272 210 V C -0.331 175.581 176.094 -0.304 0.000 1.036 210 V CA -0.506 61.690 62.300 -0.172 0.000 0.880 210 V CB 1.061 32.826 31.823 -0.097 0.000 0.991 210 V HN 0.618 nan 8.190 nan 0.000 0.460 211 E N 5.156 125.257 120.200 -0.166 0.000 2.151 211 E HA 0.485 4.998 4.350 0.273 0.000 0.275 211 E C -0.926 175.681 176.600 0.011 0.000 0.936 211 E CA -0.725 55.596 56.400 -0.133 0.000 0.777 211 E CB 1.978 31.596 29.700 -0.137 0.000 1.108 211 E HN 0.415 nan 8.360 nan 0.000 0.401 212 I N 3.569 124.137 120.570 -0.004 0.000 2.315 212 I HA 0.197 4.530 4.170 0.273 0.000 0.291 212 I C -0.021 176.018 176.117 -0.130 0.000 1.006 212 I CA -0.453 60.797 61.300 -0.082 0.000 1.265 212 I CB 0.220 38.163 38.000 -0.094 0.000 1.387 212 I HN 0.515 nan 8.210 nan 0.000 0.475 213 H N 5.994 124.888 119.070 -0.293 0.000 2.472 213 H HA 0.569 5.287 4.556 0.270 0.000 0.335 213 H C -0.934 174.118 175.328 -0.461 0.000 1.136 213 H CA 0.172 56.042 56.048 -0.297 0.000 1.264 213 H CB 1.226 30.513 29.762 -0.790 0.000 1.486 213 H HN 0.295 nan 8.280 nan 0.000 0.517 214 F N 1.325 121.279 119.950 0.007 0.000 2.563 214 F HA 0.231 4.922 4.527 0.273 0.000 0.316 214 F C 0.288 176.071 175.800 -0.028 0.000 1.076 214 F CA -1.146 56.878 58.000 0.041 0.000 0.921 214 F CB 1.273 40.368 39.000 0.159 0.000 1.209 214 F HN 0.627 nan 8.300 nan 0.000 0.462 215 N N 0.395 119.188 118.700 0.154 0.000 2.366 215 N HA 0.093 4.996 4.740 0.273 0.000 0.277 215 N C 0.701 176.227 175.510 0.026 0.000 1.275 215 N CA -0.350 52.726 53.050 0.043 0.000 0.964 215 N CB 0.239 38.751 38.487 0.042 0.000 1.167 215 N HN 0.673 nan 8.380 nan 0.000 0.568 216 E N -0.311 119.866 120.200 -0.039 0.000 2.130 216 E HA -0.208 4.306 4.350 0.273 0.000 0.196 216 E C 0.604 177.252 176.600 0.081 0.000 0.998 216 E CA 1.364 57.752 56.400 -0.021 0.000 0.806 216 E CB -0.090 29.596 29.700 -0.022 0.000 0.738 216 E HN 0.521 nan 8.360 nan 0.000 0.459 217 K N 0.309 120.760 120.400 0.084 0.000 2.611 217 K HA 0.037 4.521 4.320 0.273 0.000 0.193 217 K C 0.213 176.899 176.600 0.143 0.000 1.026 217 K CA 0.090 56.435 56.287 0.097 0.000 1.063 217 K CB 0.178 32.729 32.500 0.085 0.000 0.839 217 K HN -0.078 nan 8.250 nan 0.000 0.505 218 S N 0.398 116.215 115.700 0.195 0.000 3.550 218 S HA -0.166 4.468 4.470 0.273 0.000 0.372 218 S C -0.274 174.625 174.600 0.498 0.000 0.966 218 S CA 0.629 58.970 58.200 0.234 0.000 1.229 218 S CB -1.131 61.995 63.200 -0.123 0.000 0.917 218 S HN 0.410 nan 8.310 nan 0.000 0.496 219 S N 0.101 116.093 115.700 0.486 0.000 2.513 219 S HA 0.633 5.267 4.470 0.273 0.000 0.299 219 S C 0.244 174.971 174.600 0.213 0.000 1.087 219 S CA -0.658 57.772 58.200 0.383 0.000 1.012 219 S CB 1.335 64.651 63.200 0.192 0.000 1.044 219 S HN 0.299 nan 8.310 nan 0.000 0.485 220 V N 5.136 125.035 119.914 -0.025 0.000 2.585 220 V HA 0.100 4.384 4.120 0.273 0.000 0.296 220 V C 1.293 177.266 176.094 -0.202 0.000 1.035 220 V CA 0.531 62.592 62.300 -0.399 0.000 1.084 220 V CB 0.921 32.529 31.823 -0.359 0.000 0.953 220 V HN 0.849 nan 8.190 nan 0.000 0.483 221 V N 1.556 121.323 119.914 -0.244 0.000 3.219 221 V HA 0.762 5.045 4.120 0.273 0.000 0.240 221 V C 0.719 176.770 176.094 -0.072 0.000 1.222 221 V CA 0.913 63.139 62.300 -0.123 0.000 1.181 221 V CB 0.117 31.878 31.823 -0.104 0.000 0.941 221 V HN 0.999 nan 8.190 nan 0.000 0.471 222 G N -1.074 107.623 108.800 -0.171 0.000 2.634 222 G HA2 0.647 4.770 3.960 0.273 0.000 0.309 222 G HA3 0.647 4.770 3.960 0.273 0.000 0.309 222 G C -0.901 174.029 174.900 0.050 0.000 1.299 222 G CA -0.177 44.971 45.100 0.080 0.000 0.798 222 G HN 0.855 nan 8.290 nan 0.000 0.490 223 G N -1.689 107.317 108.800 0.343 0.000 2.605 223 G HA2 0.743 4.866 3.960 0.273 0.000 0.296 223 G HA3 0.743 4.866 3.960 0.273 0.000 0.296 223 G C -2.138 173.198 174.900 0.726 0.000 1.304 223 G CA -0.780 44.458 45.100 0.229 0.000 0.941 223 G HN 1.066 nan 8.290 nan 0.000 0.475 224 F N 0.951 121.131 119.950 0.383 0.000 2.651 224 F HA 0.426 5.128 4.527 0.292 0.000 0.329 224 F C -0.954 174.974 175.800 0.213 0.000 1.186 224 F CA -0.730 57.477 58.000 0.345 0.000 1.046 224 F CB 1.933 41.103 39.000 0.283 0.000 1.296 224 F HN 0.391 nan 8.300 nan 0.000 0.497 225 V N 5.138 124.870 119.914 -0.303 0.000 2.353 225 V HA 0.313 4.596 4.120 0.273 0.000 0.264 225 V C 0.083 176.027 176.094 -0.250 0.000 1.049 225 V CA -0.288 61.913 62.300 -0.165 0.000 0.896 225 V CB 0.675 32.432 31.823 -0.109 0.000 1.025 225 V HN 0.774 nan 8.190 nan 0.000 0.475 226 S N 5.143 120.953 115.700 0.184 0.000 2.565 226 S HA 0.458 5.092 4.470 0.273 0.000 0.274 226 S C -0.159 174.542 174.600 0.169 0.000 1.309 226 S CA -0.505 57.831 58.200 0.226 0.000 1.043 226 S CB 0.322 63.774 63.200 0.421 0.000 0.939 226 S HN 0.940 nan 8.310 nan 0.000 0.504 227 H N 0.613 119.536 119.070 -0.247 0.000 2.768 227 H HA 0.616 5.346 4.556 0.289 0.000 0.371 227 H C -1.994 173.109 175.328 -0.375 0.000 1.151 227 H CA -0.820 55.214 56.048 -0.023 0.000 1.165 227 H CB 0.650 30.454 29.762 0.071 0.000 1.722 227 H HN 0.585 nan 8.280 nan 0.000 0.543 228 Y N 0.883 121.312 120.300 0.214 0.000 2.534 228 Y HA 0.279 4.992 4.550 0.272 0.000 0.345 228 Y C 0.463 176.436 175.900 0.121 0.000 1.031 228 Y CA -1.350 56.770 58.100 0.034 0.000 1.022 228 Y CB 1.932 40.371 38.460 -0.034 0.000 1.292 228 Y HN 0.678 nan 8.280 nan 0.000 0.459 229 L N 1.330 122.654 121.223 0.168 0.000 3.634 229 L HA -0.246 4.258 4.340 0.273 0.000 0.423 229 L C -0.416 176.585 176.870 0.218 0.000 1.253 229 L CA 0.007 54.907 54.840 0.100 0.000 0.885 229 L CB -1.158 40.873 42.059 -0.045 0.000 1.789 229 L HN 0.503 nan 8.230 nan 0.000 0.904 230 L N 1.413 122.766 121.223 0.217 0.000 2.540 230 L HA 0.039 4.543 4.340 0.273 0.000 0.276 230 L C 1.181 178.166 176.870 0.193 0.000 1.212 230 L CA 0.787 55.719 54.840 0.153 0.000 0.893 230 L CB 0.564 42.571 42.059 -0.088 0.000 1.138 230 L HN 0.192 nan 8.230 nan 0.000 0.491 231 E N 4.249 124.600 120.200 0.252 0.000 2.029 231 E HA 0.007 4.521 4.350 0.273 0.000 0.276 231 E C 0.148 176.889 176.600 0.235 0.000 1.163 231 E CA -0.412 56.135 56.400 0.245 0.000 0.909 231 E CB 0.499 30.330 29.700 0.218 0.000 1.046 231 E HN 0.533 nan 8.360 nan 0.000 0.406 232 K N 1.764 122.275 120.400 0.186 0.000 2.296 232 K HA -0.070 4.413 4.320 0.273 0.000 0.200 232 K C 1.926 178.581 176.600 0.092 0.000 1.048 232 K CA 0.951 57.330 56.287 0.154 0.000 0.966 232 K CB -0.093 32.491 32.500 0.141 0.000 0.754 232 K HN 0.477 nan 8.250 nan 0.000 0.466 233 S N 1.208 116.954 115.700 0.078 0.000 2.383 233 S HA -0.140 4.493 4.470 0.273 0.000 0.227 233 S C 2.155 176.734 174.600 -0.033 0.000 1.026 233 S CA 0.768 58.983 58.200 0.025 0.000 0.981 233 S CB -0.264 62.963 63.200 0.044 0.000 0.818 233 S HN 0.254 nan 8.310 nan 0.000 0.472 234 R N 1.152 121.630 120.500 -0.036 0.000 2.170 234 R HA -0.002 4.501 4.340 0.273 0.000 0.242 234 R C 1.980 178.177 176.300 -0.171 0.000 1.145 234 R CA 1.527 57.547 56.100 -0.134 0.000 0.984 234 R CB -0.619 29.527 30.300 -0.257 0.000 0.869 234 R HN 0.544 nan 8.270 nan 0.000 0.455 235 I N -0.677 119.822 120.570 -0.118 0.000 2.361 235 I HA -0.337 3.996 4.170 0.273 0.000 0.251 235 I C 1.858 177.684 176.117 -0.485 0.000 1.133 235 I CA 0.943 62.102 61.300 -0.235 0.000 1.413 235 I CB -0.003 37.888 38.000 -0.182 0.000 1.073 235 I HN 0.334 nan 8.210 nan 0.000 0.424 236 C N -1.530 117.499 119.300 -0.451 0.000 2.628 236 C HA 0.379 5.002 4.460 0.273 0.000 0.393 236 C C 0.817 175.687 174.990 -0.200 0.000 1.328 236 C CA -0.269 58.364 59.018 -0.643 0.000 2.079 236 C CB 0.921 28.367 27.740 -0.490 0.000 2.663 236 C HN 0.226 nan 8.230 nan 0.000 0.557 237 V N 1.202 121.042 119.914 -0.123 0.000 2.925 237 V HA 0.660 4.944 4.120 0.273 0.000 0.311 237 V C -2.086 173.972 176.094 -0.060 0.000 1.104 237 V CA -0.110 62.164 62.300 -0.044 0.000 0.954 237 V CB 2.233 34.049 31.823 -0.012 0.000 1.022 237 V HN 0.494 nan 8.190 nan 0.000 0.427 238 Q N 2.753 122.529 119.800 -0.041 0.000 2.421 238 Q HA 0.717 5.221 4.340 0.273 0.000 0.280 238 Q C 0.008 175.983 176.000 -0.042 0.000 1.085 238 Q CA 0.068 55.840 55.803 -0.052 0.000 0.807 238 Q CB 1.916 30.622 28.738 -0.054 0.000 1.405 238 Q HN 1.027 nan 8.270 nan 0.000 0.419 239 G N 0.738 109.505 108.800 -0.056 0.000 2.634 239 G HA2 0.283 4.406 3.960 0.273 0.000 0.255 239 G HA3 0.283 4.406 3.960 0.273 0.000 0.255 239 G C -0.580 174.290 174.900 -0.050 0.000 1.205 239 G CA -0.596 44.471 45.100 -0.056 0.000 0.884 239 G HN 0.404 nan 8.290 nan 0.000 0.549 240 K N 0.106 120.479 120.400 -0.046 0.000 2.355 240 K HA 0.184 4.668 4.320 0.273 0.000 0.270 240 K C 0.527 177.099 176.600 -0.047 0.000 1.003 240 K CA 0.486 56.748 56.287 -0.042 0.000 0.957 240 K CB 0.501 32.980 32.500 -0.035 0.000 0.939 240 K HN 0.764 nan 8.250 nan 0.000 0.482 241 E N -0.533 119.638 120.200 -0.048 0.000 4.028 241 E HA -0.223 4.291 4.350 0.273 0.000 0.343 241 E C -0.684 175.889 176.600 -0.045 0.000 0.700 241 E CA 1.011 57.383 56.400 -0.047 0.000 1.288 241 E CB -0.674 29.008 29.700 -0.030 0.000 1.677 241 E HN 0.600 nan 8.360 nan 0.000 0.424 242 E N 0.157 120.325 120.200 -0.054 0.000 2.299 242 E HA 0.593 5.106 4.350 0.273 0.000 0.265 242 E C -0.128 176.437 176.600 -0.059 0.000 0.911 242 E CA -0.747 55.621 56.400 -0.053 0.000 0.789 242 E CB 2.136 31.796 29.700 -0.066 0.000 1.246 242 E HN 0.027 nan 8.360 nan 0.000 0.427 243 R N 0.863 121.327 120.500 -0.059 0.000 2.892 243 R HA 0.355 4.858 4.340 0.273 0.000 0.265 243 R C 0.219 176.528 176.300 0.016 0.000 1.025 243 R CA -0.993 55.091 56.100 -0.027 0.000 0.982 243 R CB 1.159 31.323 30.300 -0.227 0.000 1.185 243 R HN 0.424 nan 8.270 nan 0.000 0.484 244 N N 0.350 119.165 118.700 0.191 0.000 2.255 244 N HA -0.019 4.884 4.740 0.273 0.000 0.253 244 N C -0.581 175.045 175.510 0.192 0.000 1.313 244 N CA 0.406 53.502 53.050 0.077 0.000 0.912 244 N CB 0.197 38.680 38.487 -0.006 0.000 1.145 244 N HN 0.236 nan 8.380 nan 0.000 0.511 245 Y N 0.697 121.201 120.300 0.340 0.000 2.578 245 Y HA -0.045 4.665 4.550 0.267 0.000 0.339 245 Y C 1.953 178.088 175.900 0.390 0.000 1.231 245 Y CA 0.530 58.772 58.100 0.236 0.000 1.461 245 Y CB 0.110 38.674 38.460 0.173 0.000 1.323 245 Y HN 0.616 nan 8.280 nan 0.000 0.590 246 H N 1.311 120.645 119.070 0.441 0.000 2.390 246 H HA -0.236 4.461 4.556 0.235 0.000 0.298 246 H C 2.051 177.538 175.328 0.264 0.000 1.106 246 H CA 1.363 57.641 56.048 0.384 0.000 1.297 246 H CB 0.058 29.966 29.762 0.243 0.000 1.375 246 H HN 0.705 nan 8.280 nan 0.000 0.509 247 I N 0.818 121.456 120.570 0.113 0.000 2.145 247 I HA -0.322 4.012 4.170 0.273 0.000 0.244 247 I C 1.582 177.597 176.117 -0.169 0.000 1.075 247 I CA 1.493 62.655 61.300 -0.231 0.000 1.332 247 I CB -0.532 36.951 38.000 -0.861 0.000 1.033 247 I HN 0.122 nan 8.210 nan 0.000 0.410 248 F N -0.585 119.337 119.950 -0.046 0.000 2.126 248 F HA -0.280 4.420 4.527 0.287 0.000 0.299 248 F C 2.156 177.747 175.800 -0.348 0.000 1.096 248 F CA 1.947 59.778 58.000 -0.281 0.000 1.255 248 F CB -0.856 37.853 39.000 -0.484 0.000 0.997 248 F HN 0.124 nan 8.300 nan 0.000 0.479 249 Y N -0.782 119.690 120.300 0.286 0.000 2.337 249 Y HA -0.013 4.694 4.550 0.262 0.000 0.293 249 Y C 2.356 178.324 175.900 0.114 0.000 1.123 249 Y CA 0.516 58.794 58.100 0.297 0.000 1.201 249 Y CB -0.607 38.091 38.460 0.396 0.000 1.011 249 Y HN -0.151 nan 8.280 nan 0.000 0.545 250 R N -0.295 120.324 120.500 0.198 0.000 2.075 250 R HA -0.146 4.358 4.340 0.273 0.000 0.232 250 R C 2.080 178.271 176.300 -0.182 0.000 1.126 250 R CA 1.383 57.533 56.100 0.083 0.000 0.963 250 R CB -0.563 29.866 30.300 0.216 0.000 0.858 250 R HN 0.265 nan 8.270 nan 0.000 0.435 251 L N 0.260 121.360 121.223 -0.205 0.000 2.056 251 L HA -0.156 4.347 4.340 0.273 0.000 0.207 251 L C 2.004 178.576 176.870 -0.497 0.000 1.078 251 L CA 1.676 56.221 54.840 -0.492 0.000 0.749 251 L CB -0.372 41.474 42.059 -0.355 0.000 0.901 251 L HN 0.190 nan 8.230 nan 0.000 0.433 252 C N -0.676 118.469 119.300 -0.259 0.000 2.435 252 C HA 0.032 4.655 4.460 0.273 0.000 0.279 252 C C 2.863 177.708 174.990 -0.241 0.000 1.321 252 C CA 0.618 59.545 59.018 -0.153 0.000 1.752 252 C CB -1.463 26.317 27.740 0.066 0.000 1.959 252 C HN 0.689 nan 8.230 nan 0.000 0.500 253 A N -0.251 122.303 122.820 -0.442 0.000 2.030 253 A HA 0.347 4.831 4.320 0.273 0.000 0.215 253 A C 2.188 179.485 177.584 -0.477 0.000 1.164 253 A CA 1.506 53.148 52.037 -0.658 0.000 0.697 253 A CB -0.519 17.822 19.000 -1.099 0.000 0.827 253 A HN 0.528 nan 8.150 nan 0.000 0.457 254 G N -1.042 107.324 108.800 -0.724 0.000 2.781 254 G HA2 0.428 4.551 3.960 0.273 0.000 0.208 254 G HA3 0.428 4.551 3.960 0.273 0.000 0.208 254 G C 0.725 174.976 174.900 -1.081 0.000 1.099 254 G CA 0.643 45.173 45.100 -0.950 0.000 0.776 254 G HN 0.698 nan 8.290 nan 0.000 0.532 255 A N 1.358 123.444 122.820 -1.223 0.000 2.531 255 A HA 0.497 4.980 4.320 0.273 0.000 0.236 255 A C 1.192 178.581 177.584 -0.325 0.000 1.062 255 A CA 0.397 51.984 52.037 -0.751 0.000 0.760 255 A CB 0.007 18.657 19.000 -0.583 0.000 0.995 255 A HN 0.998 nan 8.150 nan 0.000 0.501 256 S N 1.617 117.233 115.700 -0.141 0.000 2.572 256 S HA 0.040 4.674 4.470 0.273 0.000 0.267 256 S C 0.816 175.367 174.600 -0.081 0.000 1.361 256 S CA 0.157 58.316 58.200 -0.068 0.000 1.009 256 S CB 0.494 63.688 63.200 -0.010 0.000 0.888 256 S HN 0.698 nan 8.310 nan 0.000 0.553 257 E N 0.688 120.855 120.200 -0.054 0.000 2.153 257 E HA -0.179 4.334 4.350 0.273 0.000 0.194 257 E C 1.521 178.091 176.600 -0.050 0.000 0.988 257 E CA 1.010 57.380 56.400 -0.050 0.000 0.811 257 E CB -0.351 29.330 29.700 -0.031 0.000 0.746 257 E HN 0.767 nan 8.360 nan 0.000 0.466 258 D N 0.519 120.896 120.400 -0.038 0.000 2.097 258 D HA -0.121 4.683 4.640 0.273 0.000 0.195 258 D C 2.088 178.358 176.300 -0.050 0.000 0.989 258 D CA 0.778 54.758 54.000 -0.035 0.000 0.827 258 D CB 0.025 40.816 40.800 -0.015 0.000 0.966 258 D HN 0.178 nan 8.370 nan 0.000 0.456 259 I N 0.652 121.195 120.570 -0.045 0.000 2.394 259 I HA -0.186 4.148 4.170 0.273 0.000 0.251 259 I C 2.672 178.732 176.117 -0.095 0.000 1.136 259 I CA 0.372 61.642 61.300 -0.049 0.000 1.425 259 I CB -0.189 37.801 38.000 -0.015 0.000 1.079 259 I HN -0.056 nan 8.210 nan 0.000 0.425 260 R N 1.450 121.886 120.500 -0.107 0.000 2.105 260 R HA -0.195 4.308 4.340 0.273 0.000 0.239 260 R C 1.823 178.049 176.300 -0.123 0.000 1.135 260 R CA 1.790 57.827 56.100 -0.106 0.000 0.967 260 R CB -0.228 30.019 30.300 -0.089 0.000 0.861 260 R HN 0.455 nan 8.270 nan 0.000 0.442 261 E N -0.571 119.549 120.200 -0.134 0.000 2.158 261 E HA -0.086 4.428 4.350 0.273 0.000 0.191 261 E C 2.164 178.540 176.600 -0.374 0.000 0.982 261 E CA 0.474 56.764 56.400 -0.185 0.000 0.823 261 E CB -0.008 29.630 29.700 -0.104 0.000 0.766 261 E HN 0.220 nan 8.360 nan 0.000 0.468 262 R N 0.290 120.625 120.500 -0.275 0.000 2.148 262 R HA 0.014 4.518 4.340 0.273 0.000 0.223 262 R C 1.550 177.628 176.300 -0.370 0.000 1.088 262 R CA 0.702 56.630 56.100 -0.286 0.000 0.985 262 R CB 0.222 30.451 30.300 -0.119 0.000 0.880 262 R HN 0.154 nan 8.270 nan 0.000 0.451 263 L N -0.672 120.375 121.223 -0.293 0.000 2.766 263 L HA 0.179 4.683 4.340 0.273 0.000 0.242 263 L C -0.328 176.538 176.870 -0.007 0.000 1.136 263 L CA -0.289 54.487 54.840 -0.106 0.000 0.933 263 L CB 0.226 42.285 42.059 0.000 0.000 1.241 263 L HN 0.276 nan 8.230 nan 0.000 0.522 264 H N -0.202 118.824 119.070 -0.074 0.000 2.713 264 H HA -0.132 4.587 4.556 0.272 0.000 0.311 264 H C 0.231 175.644 175.328 0.141 0.000 1.175 264 H CA 0.371 56.333 56.048 -0.144 0.000 1.143 264 H CB -1.917 27.390 29.762 -0.758 0.000 1.434 264 H HN 0.316 nan 8.280 nan 0.000 0.418 265 L N 0.383 121.699 121.223 0.155 0.000 2.466 265 L HA 0.401 4.905 4.340 0.273 0.000 0.257 265 L C 1.198 178.188 176.870 0.201 0.000 1.189 265 L CA 0.390 55.346 54.840 0.194 0.000 0.813 265 L CB 1.246 43.318 42.059 0.021 0.000 1.118 265 L HN 0.469 nan 8.230 nan 0.000 0.471 266 S N -1.475 114.398 115.700 0.288 0.000 2.724 266 S HA 0.374 5.007 4.470 0.273 0.000 0.278 266 S C -0.688 174.037 174.600 0.208 0.000 1.190 266 S CA -0.608 57.691 58.200 0.165 0.000 0.860 266 S CB 0.848 64.088 63.200 0.067 0.000 1.206 266 S HN 0.651 nan 8.310 nan 0.000 0.507 267 S N 0.527 116.293 115.700 0.111 0.000 2.566 267 S HA 0.272 4.905 4.470 0.273 0.000 0.280 267 S C -2.003 172.688 174.600 0.152 0.000 1.343 267 S CA -0.265 57.999 58.200 0.108 0.000 1.036 267 S CB -0.397 62.824 63.200 0.034 0.000 0.866 267 S HN 0.571 nan 8.310 nan 0.000 0.526 268 P HA -0.100 nan 4.420 nan 0.000 0.222 268 P C 1.044 178.425 177.300 0.135 0.000 1.147 268 P CA 1.158 64.373 63.100 0.191 0.000 0.790 268 P CB -0.156 31.625 31.700 0.134 0.000 0.780 269 D N -0.706 119.716 120.400 0.037 0.000 2.310 269 D HA -0.147 4.657 4.640 0.273 0.000 0.212 269 D C 0.790 177.040 176.300 -0.083 0.000 0.965 269 D CA 0.821 54.814 54.000 -0.013 0.000 0.879 269 D CB -1.128 39.656 40.800 -0.027 0.000 0.921 269 D HN 0.249 nan 8.370 nan 0.000 0.510 270 N N -1.047 117.544 118.700 -0.183 0.000 2.461 270 N HA 0.077 4.980 4.740 0.273 0.000 0.188 270 N C -0.682 174.388 175.510 -0.733 0.000 1.134 270 N CA 0.142 52.920 53.050 -0.454 0.000 0.878 270 N CB 0.057 38.175 38.487 -0.615 0.000 0.972 270 N HN 0.087 nan 8.380 nan 0.000 0.456 271 F N -0.325 119.569 119.950 -0.093 0.000 2.477 271 F HA 0.399 5.093 4.527 0.279 0.000 0.335 271 F C 1.301 177.026 175.800 -0.126 0.000 1.130 271 F CA -1.220 56.693 58.000 -0.145 0.000 0.948 271 F CB 1.448 40.334 39.000 -0.191 0.000 1.154 271 F HN -0.255 nan 8.300 nan 0.000 0.439 272 R N 2.263 122.757 120.500 -0.010 0.000 2.119 272 R HA -0.205 4.299 4.340 0.273 0.000 0.246 272 R C 1.238 177.612 176.300 0.124 0.000 1.146 272 R CA 1.953 58.054 56.100 0.002 0.000 0.962 272 R CB -0.300 29.962 30.300 -0.063 0.000 0.863 272 R HN 0.784 nan 8.270 nan 0.000 0.442 273 Y N -0.189 120.086 120.300 -0.041 0.000 2.639 273 Y HA -0.101 4.613 4.550 0.273 0.000 0.297 273 Y C 1.726 177.498 175.900 -0.213 0.000 1.151 273 Y CA 0.029 58.034 58.100 -0.158 0.000 1.335 273 Y CB 0.282 38.577 38.460 -0.275 0.000 0.994 273 Y HN 0.162 nan 8.280 nan 0.000 0.548 274 L N -0.916 120.324 121.223 0.028 0.000 2.685 274 L HA 0.027 4.530 4.340 0.273 0.000 0.235 274 L C 1.270 178.188 176.870 0.080 0.000 1.070 274 L CA 0.161 55.018 54.840 0.030 0.000 0.888 274 L CB -0.153 41.902 42.059 -0.006 0.000 1.203 274 L HN 0.141 nan 8.230 nan 0.000 0.499 275 N N -0.165 118.572 118.700 0.062 0.000 2.322 275 N HA -0.050 4.854 4.740 0.273 0.000 0.194 275 N C 1.443 176.965 175.510 0.020 0.000 1.126 275 N CA 0.210 53.283 53.050 0.038 0.000 0.845 275 N CB 0.128 38.623 38.487 0.015 0.000 0.976 275 N HN 0.039 nan 8.380 nan 0.000 0.475 276 R N -0.577 119.937 120.500 0.023 0.000 2.254 276 R HA 0.373 4.877 4.340 0.273 0.000 0.195 276 R C 1.120 177.419 176.300 -0.001 0.000 0.957 276 R CA 0.476 56.581 56.100 0.009 0.000 1.024 276 R CB 0.187 30.495 30.300 0.013 0.000 0.952 276 R HN 0.329 nan 8.270 nan 0.000 0.484 277 G N -1.252 107.552 108.800 0.007 0.000 2.702 277 G HA2 0.135 4.259 3.960 0.273 0.000 0.254 277 G HA3 0.135 4.259 3.960 0.273 0.000 0.254 277 G C -0.875 174.017 174.900 -0.014 0.000 1.380 277 G CA -0.576 44.520 45.100 -0.007 0.000 1.042 277 G HN 0.228 nan 8.290 nan 0.000 0.557 278 C N 0.990 120.263 119.300 -0.044 0.000 2.624 278 C HA 0.440 5.063 4.460 0.273 0.000 0.397 278 C C 2.018 176.959 174.990 -0.080 0.000 1.331 278 C CA 0.405 59.374 59.018 -0.082 0.000 1.716 278 C CB -0.814 26.847 27.740 -0.132 0.000 2.452 278 C HN 0.746 nan 8.230 nan 0.000 0.586 279 T N 3.283 117.804 114.554 -0.055 0.000 3.122 279 T HA 0.207 4.720 4.350 0.273 0.000 0.250 279 T C 0.623 175.225 174.700 -0.163 0.000 1.067 279 T CA -0.026 62.063 62.100 -0.019 0.000 0.966 279 T CB -0.163 68.703 68.868 -0.003 0.000 1.002 279 T HN 0.771 nan 8.240 nan 0.000 0.542 280 R N 0.546 120.928 120.500 -0.198 0.000 2.500 280 R HA 0.498 5.001 4.340 0.273 0.000 0.277 280 R C -0.964 175.189 176.300 -0.246 0.000 1.026 280 R CA -0.713 55.286 56.100 -0.168 0.000 1.058 280 R CB 0.628 30.880 30.300 -0.080 0.000 1.078 280 R HN 0.241 nan 8.270 nan 0.000 0.509 281 Y N 0.732 121.109 120.300 0.127 0.000 2.301 281 Y HA 0.205 4.917 4.550 0.270 0.000 0.325 281 Y C 0.307 176.208 175.900 0.001 0.000 1.203 281 Y CA -0.832 57.299 58.100 0.052 0.000 1.255 281 Y CB 0.438 38.925 38.460 0.045 0.000 1.232 281 Y HN 0.357 nan 8.280 nan 0.000 0.501 282 F N 2.040 122.141 119.950 0.253 0.000 2.494 282 F HA 0.439 5.135 4.527 0.282 0.000 0.369 282 F C 0.527 176.436 175.800 0.181 0.000 1.098 282 F CA 0.210 58.305 58.000 0.159 0.000 1.154 282 F CB -0.127 38.915 39.000 0.070 0.000 1.103 282 F HN 0.516 nan 8.300 nan 0.000 0.549 283 A N 3.346 126.358 122.820 0.319 0.000 2.606 283 A HA 0.685 5.169 4.320 0.273 0.000 0.293 283 A C -1.052 176.632 177.584 0.167 0.000 1.082 283 A CA -0.963 51.219 52.037 0.241 0.000 0.685 283 A CB 1.433 20.605 19.000 0.286 0.000 1.284 283 A HN 0.663 nan 8.150 nan 0.000 0.408 284 N N 0.042 118.814 118.700 0.120 0.000 2.813 284 N HA 0.368 5.272 4.740 0.273 0.000 0.320 284 N C 0.582 176.129 175.510 0.061 0.000 1.315 284 N CA -0.318 52.779 53.050 0.078 0.000 0.871 284 N CB 0.686 39.211 38.487 0.063 0.000 1.241 284 N HN 0.616 nan 8.380 nan 0.000 0.602 285 K N -0.741 119.682 120.400 0.038 0.000 2.063 285 K HA -0.140 4.344 4.320 0.273 0.000 0.208 285 K C 1.017 177.630 176.600 0.022 0.000 1.048 285 K CA 1.447 57.751 56.287 0.028 0.000 0.928 285 K CB 0.016 32.526 32.500 0.017 0.000 0.713 285 K HN 0.481 nan 8.250 nan 0.000 0.442 286 E N -0.182 120.027 120.200 0.016 0.000 2.046 286 E HA -0.114 4.399 4.350 0.273 0.000 0.190 286 E C 2.144 178.728 176.600 -0.027 0.000 0.982 286 E CA 1.854 58.253 56.400 -0.001 0.000 0.800 286 E CB -0.490 29.212 29.700 0.002 0.000 0.756 286 E HN 0.565 nan 8.360 nan 0.000 0.449 287 T N -0.628 113.915 114.554 -0.017 0.000 2.951 287 T HA -0.151 4.363 4.350 0.273 0.000 0.268 287 T C 1.625 176.279 174.700 -0.076 0.000 1.073 287 T CA 1.433 63.489 62.100 -0.073 0.000 1.134 287 T CB -0.204 68.665 68.868 0.003 0.000 0.884 287 T HN 0.021 nan 8.240 nan 0.000 0.479 288 D N 1.486 121.902 120.400 0.026 0.000 2.178 288 D HA -0.103 4.701 4.640 0.273 0.000 0.201 288 D C 2.090 178.406 176.300 0.026 0.000 0.980 288 D CA 0.962 55.016 54.000 0.090 0.000 0.842 288 D CB -0.166 40.733 40.800 0.164 0.000 0.948 288 D HN 0.427 nan 8.370 nan 0.000 0.472 289 K N -0.534 119.856 120.400 -0.017 0.000 2.296 289 K HA -0.030 4.454 4.320 0.273 0.000 0.200 289 K C 1.959 178.509 176.600 -0.083 0.000 1.048 289 K CA 0.663 56.931 56.287 -0.030 0.000 0.966 289 K CB 0.061 32.547 32.500 -0.023 0.000 0.754 289 K HN 0.379 nan 8.250 nan 0.000 0.466 290 Q N 0.319 120.010 119.800 -0.183 0.000 2.424 290 Q HA 0.127 4.630 4.340 0.273 0.000 0.204 290 Q C 0.195 176.034 176.000 -0.269 0.000 0.933 290 Q CA 0.249 55.871 55.803 -0.301 0.000 0.929 290 Q CB 0.293 28.652 28.738 -0.631 0.000 1.037 290 Q HN 0.265 nan 8.270 nan 0.000 0.511 291 I N 1.845 122.304 120.570 -0.184 0.000 2.325 291 I HA 0.105 4.438 4.170 0.273 0.000 0.291 291 I C -0.100 175.982 176.117 -0.058 0.000 1.019 291 I CA -0.552 60.688 61.300 -0.100 0.000 1.302 291 I CB 0.841 38.752 38.000 -0.150 0.000 1.401 291 I HN 0.035 nan 8.210 nan 0.000 0.485 292 L N 5.961 127.159 121.223 -0.041 0.000 2.506 292 L HA -0.060 4.444 4.340 0.273 0.000 0.281 292 L C 1.532 178.396 176.870 -0.011 0.000 1.228 292 L CA 0.164 54.990 54.840 -0.022 0.000 0.850 292 L CB 0.288 42.334 42.059 -0.021 0.000 1.110 292 L HN 0.615 nan 8.230 nan 0.000 0.496 293 Q N 1.872 121.676 119.800 0.006 0.000 2.197 293 Q HA -0.212 4.292 4.340 0.273 0.000 0.207 293 Q C 1.607 177.619 176.000 0.019 0.000 0.984 293 Q CA 1.795 57.611 55.803 0.021 0.000 0.869 293 Q CB -0.195 28.559 28.738 0.026 0.000 0.906 293 Q HN 0.742 nan 8.270 nan 0.000 0.426 294 N N -0.767 117.940 118.700 0.012 0.000 2.571 294 N HA -0.107 4.797 4.740 0.273 0.000 0.189 294 N C 0.501 176.026 175.510 0.026 0.000 1.154 294 N CA 0.481 53.539 53.050 0.015 0.000 0.907 294 N CB 0.127 38.619 38.487 0.008 0.000 0.977 294 N HN 0.077 nan 8.380 nan 0.000 0.449 295 R N 0.161 120.681 120.500 0.033 0.000 2.308 295 R HA 0.228 4.731 4.340 0.273 0.000 0.202 295 R C -0.053 176.335 176.300 0.147 0.000 0.898 295 R CA 0.065 56.219 56.100 0.090 0.000 1.046 295 R CB 0.291 30.616 30.300 0.041 0.000 1.026 295 R HN 0.312 nan 8.270 nan 0.000 0.512 296 K N 1.676 122.100 120.400 0.040 0.000 2.183 296 K HA 0.204 4.688 4.320 0.273 0.000 0.274 296 K C 0.205 176.792 176.600 -0.022 0.000 1.009 296 K CA -0.229 56.016 56.287 -0.071 0.000 0.888 296 K CB 1.607 34.066 32.500 -0.069 0.000 1.078 296 K HN -0.020 nan 8.250 nan 0.000 0.459 297 S N 2.217 117.883 115.700 -0.057 0.000 2.603 297 S HA 0.178 4.811 4.470 0.273 0.000 0.268 297 S C -1.818 172.807 174.600 0.041 0.000 1.317 297 S CA -1.182 57.011 58.200 -0.012 0.000 1.012 297 S CB 0.990 64.163 63.200 -0.044 0.000 0.926 297 S HN 0.316 nan 8.310 nan 0.000 0.539 298 P HA -0.159 nan 4.420 nan 0.000 0.216 298 P C 1.357 178.668 177.300 0.019 0.000 1.154 298 P CA 1.497 64.608 63.100 0.019 0.000 0.865 298 P CB 0.048 31.747 31.700 -0.001 0.000 0.789 299 E N -1.848 118.357 120.200 0.008 0.000 2.208 299 E HA -0.188 4.325 4.350 0.273 0.000 0.193 299 E C 1.919 178.515 176.600 -0.007 0.000 0.988 299 E CA 0.831 57.224 56.400 -0.012 0.000 0.828 299 E CB -0.977 28.705 29.700 -0.029 0.000 0.763 299 E HN 0.253 nan 8.360 nan 0.000 0.478 300 Y N 0.375 120.620 120.300 -0.092 0.000 2.163 300 Y HA -0.133 4.580 4.550 0.272 0.000 0.288 300 Y C 1.748 177.622 175.900 -0.044 0.000 1.136 300 Y CA 1.773 59.820 58.100 -0.088 0.000 1.147 300 Y CB -0.088 38.303 38.460 -0.115 0.000 0.987 300 Y HN 0.026 nan 8.280 nan 0.000 0.509 301 L N 0.265 121.591 121.223 0.172 0.000 2.191 301 L HA -0.215 4.288 4.340 0.273 0.000 0.212 301 L C 2.497 179.357 176.870 -0.017 0.000 1.103 301 L CA 1.704 56.602 54.840 0.096 0.000 0.769 301 L CB -0.452 41.668 42.059 0.101 0.000 0.908 301 L HN 0.206 nan 8.230 nan 0.000 0.438 302 K N 0.249 120.628 120.400 -0.036 0.000 2.063 302 K HA -0.001 4.483 4.320 0.273 0.000 0.204 302 K C 1.924 178.472 176.600 -0.087 0.000 1.039 302 K CA 1.026 57.283 56.287 -0.050 0.000 0.957 302 K CB 0.009 32.488 32.500 -0.036 0.000 0.764 302 K HN 0.181 nan 8.250 nan 0.000 0.447 303 A N 0.674 123.423 122.820 -0.118 0.000 2.275 303 A HA 0.329 4.813 4.320 0.273 0.000 0.212 303 A C 0.679 178.141 177.584 -0.204 0.000 1.201 303 A CA 0.721 52.678 52.037 -0.134 0.000 0.843 303 A CB -0.301 18.630 19.000 -0.115 0.000 0.873 303 A HN 0.593 nan 8.150 nan 0.000 0.492 304 G N -0.355 108.251 108.800 -0.322 0.000 2.760 304 G HA2 0.029 4.153 3.960 0.273 0.000 0.246 304 G HA3 0.029 4.153 3.960 0.273 0.000 0.246 304 G C 0.177 174.684 174.900 -0.655 0.000 1.359 304 G CA -0.067 44.746 45.100 -0.478 0.000 0.861 304 G HN 1.654 nan 8.290 nan 0.000 0.541 305 S N -0.971 114.383 115.700 -0.578 0.000 2.632 305 S HA 0.721 5.355 4.470 0.273 0.000 0.267 305 S C 0.641 175.138 174.600 -0.171 0.000 1.276 305 S CA -0.414 57.595 58.200 -0.318 0.000 0.998 305 S CB 1.171 64.371 63.200 0.000 0.000 0.953 305 S HN 0.999 nan 8.310 nan 0.000 0.547 306 L N 1.305 122.424 121.223 -0.174 0.000 2.418 306 L HA 0.452 4.956 4.340 0.273 0.000 0.265 306 L C 0.406 177.275 176.870 -0.002 0.000 1.143 306 L CA -0.531 54.157 54.840 -0.254 0.000 0.809 306 L CB 0.460 42.016 42.059 -0.839 0.000 1.124 306 L HN 0.581 nan 8.230 nan 0.000 0.456 307 K N 1.919 122.386 120.400 0.112 0.000 2.292 307 K HA 0.555 5.038 4.320 0.273 0.000 0.257 307 K C -1.461 175.307 176.600 0.280 0.000 0.940 307 K CA -0.612 55.784 56.287 0.182 0.000 0.811 307 K CB 2.151 34.701 32.500 0.083 0.000 1.120 307 K HN 0.530 nan 8.250 nan 0.000 0.428 308 D N 1.438 121.975 120.400 0.229 0.000 2.803 308 D HA 0.249 5.052 4.640 0.273 0.000 0.218 308 D C -1.760 174.569 176.300 0.048 0.000 1.245 308 D CA -1.129 52.934 54.000 0.106 0.000 0.821 308 D CB 1.830 42.603 40.800 -0.045 0.000 1.626 308 D HN 0.181 nan 8.370 nan 0.000 0.487 309 P HA 0.027 nan 4.420 nan 0.000 0.229 309 P C 0.684 177.986 177.300 0.003 0.000 1.160 309 P CA 0.354 63.462 63.100 0.013 0.000 0.777 309 P CB 0.727 32.430 31.700 0.004 0.000 0.814 310 L N -1.630 119.578 121.223 -0.026 0.000 2.614 310 L HA 0.313 4.816 4.340 0.273 0.000 0.185 310 L C 0.874 177.700 176.870 -0.074 0.000 1.098 310 L CA 0.348 55.166 54.840 -0.037 0.000 0.852 310 L CB -0.407 41.630 42.059 -0.036 0.000 1.213 310 L HN -0.266 nan 8.230 nan 0.000 0.491 311 L N 1.711 122.828 121.223 -0.177 0.000 2.456 311 L HA 0.159 4.663 4.340 0.273 0.000 0.272 311 L C -0.694 176.107 176.870 -0.116 0.000 1.189 311 L CA 0.582 55.251 54.840 -0.285 0.000 0.846 311 L CB 0.261 41.879 42.059 -0.736 0.000 1.111 311 L HN 0.298 nan 8.230 nan 0.000 0.475 312 D N 2.005 122.390 120.400 -0.025 0.000 2.484 312 D HA 0.021 4.825 4.640 0.273 0.000 0.206 312 D C -0.311 176.060 176.300 0.118 0.000 1.322 312 D CA -0.432 53.639 54.000 0.119 0.000 0.913 312 D CB 1.362 42.222 40.800 0.100 0.000 1.559 312 D HN 0.480 nan 8.370 nan 0.000 0.565 313 D N 1.178 121.684 120.400 0.177 0.000 2.178 313 D HA -0.162 4.641 4.640 0.273 0.000 0.202 313 D C 1.464 177.801 176.300 0.061 0.000 0.974 313 D CA 0.765 54.839 54.000 0.124 0.000 0.841 313 D CB 0.128 41.018 40.800 0.150 0.000 0.953 313 D HN 0.588 nan 8.370 nan 0.000 0.478 314 H N 0.765 119.813 119.070 -0.037 0.000 2.333 314 H HA -0.022 4.699 4.556 0.275 0.000 0.302 314 H C 2.080 177.446 175.328 0.063 0.000 1.075 314 H CA 1.803 57.826 56.048 -0.042 0.000 1.348 314 H CB -0.115 29.600 29.762 -0.078 0.000 1.393 314 H HN 0.135 nan 8.280 nan 0.000 0.509 315 G N 0.546 109.475 108.800 0.216 0.000 2.402 315 G HA2 -0.222 3.901 3.960 0.273 0.000 0.216 315 G HA3 -0.222 3.901 3.960 0.273 0.000 0.216 315 G C 1.343 176.290 174.900 0.077 0.000 1.162 315 G CA 0.787 45.978 45.100 0.152 0.000 0.777 315 G HN 0.393 nan 8.290 nan 0.000 0.539 316 D N -0.129 120.311 120.400 0.068 0.000 2.218 316 D HA -0.079 4.724 4.640 0.273 0.000 0.204 316 D C 1.859 178.192 176.300 0.056 0.000 0.976 316 D CA 0.271 54.297 54.000 0.042 0.000 0.853 316 D CB -0.242 40.568 40.800 0.017 0.000 0.939 316 D HN 0.304 nan 8.370 nan 0.000 0.481 317 F N 1.412 121.311 119.950 -0.085 0.000 2.075 317 F HA -0.147 4.545 4.527 0.274 0.000 0.297 317 F C 2.152 177.904 175.800 -0.080 0.000 1.113 317 F CA 1.139 59.069 58.000 -0.116 0.000 1.218 317 F CB -0.393 38.465 39.000 -0.236 0.000 0.984 317 F HN -0.162 nan 8.300 nan 0.000 0.472 318 I N 0.326 120.851 120.570 -0.075 0.000 2.118 318 I HA -0.375 3.958 4.170 0.273 0.000 0.241 318 I C 2.635 178.678 176.117 -0.123 0.000 1.070 318 I CA 1.773 63.003 61.300 -0.117 0.000 1.327 318 I CB -0.540 37.458 38.000 -0.004 0.000 1.034 318 I HN 0.086 nan 8.210 nan 0.000 0.405 319 R N -0.103 120.361 120.500 -0.060 0.000 2.127 319 R HA -0.196 4.307 4.340 0.273 0.000 0.238 319 R C 2.342 178.605 176.300 -0.062 0.000 1.134 319 R CA 1.523 57.597 56.100 -0.042 0.000 0.975 319 R CB -0.308 29.986 30.300 -0.009 0.000 0.865 319 R HN 0.445 nan 8.270 nan 0.000 0.447 320 M N -0.022 119.522 119.600 -0.093 0.000 2.132 320 M HA -0.185 4.459 4.480 0.273 0.000 0.263 320 M C 1.976 178.201 176.300 -0.124 0.000 1.065 320 M CA 1.628 56.880 55.300 -0.079 0.000 1.122 320 M CB -0.070 32.495 32.600 -0.058 0.000 1.365 320 M HN 0.263 nan 8.290 nan 0.000 0.411 321 C N 0.305 119.457 119.300 -0.247 0.000 2.435 321 C HA -0.096 4.528 4.460 0.273 0.000 0.279 321 C C 2.598 177.513 174.990 -0.124 0.000 1.321 321 C CA 1.426 60.317 59.018 -0.210 0.000 1.752 321 C CB -1.430 26.127 27.740 -0.305 0.000 1.959 321 C HN 0.606 nan 8.230 nan 0.000 0.500 322 T N 1.276 115.768 114.554 -0.102 0.000 2.821 322 T HA -0.084 4.429 4.350 0.273 0.000 0.267 322 T C 2.133 176.802 174.700 -0.052 0.000 1.046 322 T CA 1.571 63.633 62.100 -0.063 0.000 1.139 322 T CB -0.332 68.509 68.868 -0.045 0.000 0.871 322 T HN 0.646 nan 8.240 nan 0.000 0.454 323 A N 1.096 123.887 122.820 -0.048 0.000 1.969 323 A HA 0.029 4.512 4.320 0.273 0.000 0.218 323 A C 2.286 179.840 177.584 -0.049 0.000 1.169 323 A CA 1.201 53.217 52.037 -0.034 0.000 0.635 323 A CB -0.610 18.381 19.000 -0.015 0.000 0.810 323 A HN 0.444 nan 8.150 nan 0.000 0.445 324 M N -0.669 118.892 119.600 -0.065 0.000 2.132 324 M HA -0.122 4.521 4.480 0.273 0.000 0.263 324 M C 2.082 178.331 176.300 -0.084 0.000 1.065 324 M CA 1.370 56.619 55.300 -0.085 0.000 1.122 324 M CB -0.249 32.285 32.600 -0.110 0.000 1.365 324 M HN 0.276 nan 8.290 nan 0.000 0.411 325 K N 0.469 120.824 120.400 -0.074 0.000 2.063 325 K HA -0.164 4.320 4.320 0.273 0.000 0.208 325 K C 1.879 178.446 176.600 -0.055 0.000 1.048 325 K CA 1.323 57.572 56.287 -0.063 0.000 0.928 325 K CB -0.220 32.249 32.500 -0.053 0.000 0.713 325 K HN 0.392 nan 8.250 nan 0.000 0.442 326 K N 0.881 121.252 120.400 -0.048 0.000 2.211 326 K HA -0.069 4.415 4.320 0.273 0.000 0.203 326 K C 1.915 178.486 176.600 -0.049 0.000 1.050 326 K CA 0.978 57.241 56.287 -0.039 0.000 0.945 326 K CB -0.116 32.368 32.500 -0.025 0.000 0.732 326 K HN 0.304 nan 8.250 nan 0.000 0.451 327 I N -3.013 117.517 120.570 -0.068 0.000 3.749 327 I HA 0.264 4.598 4.170 0.273 0.000 0.314 327 I C 0.748 176.801 176.117 -0.107 0.000 1.278 327 I CA 0.299 61.541 61.300 -0.096 0.000 1.158 327 I CB 0.078 38.002 38.000 -0.125 0.000 1.018 327 I HN 0.185 nan 8.210 nan 0.000 0.435 328 G N 1.344 110.093 108.800 -0.085 0.000 2.195 328 G HA2 -0.246 3.878 3.960 0.273 0.000 0.246 328 G HA3 -0.246 3.878 3.960 0.273 0.000 0.246 328 G C -0.077 174.775 174.900 -0.081 0.000 0.984 328 G CA -0.088 44.964 45.100 -0.080 0.000 0.633 328 G HN 0.301 nan 8.290 nan 0.000 0.525 329 L N 3.325 124.493 121.223 -0.091 0.000 2.530 329 L HA 0.324 4.828 4.340 0.273 0.000 0.273 329 L C 0.977 177.793 176.870 -0.091 0.000 1.141 329 L CA -0.141 54.642 54.840 -0.095 0.000 0.905 329 L CB 0.307 42.296 42.059 -0.116 0.000 1.202 329 L HN 0.431 nan 8.230 nan 0.000 0.473 330 D N 1.753 122.104 120.400 -0.081 0.000 2.369 330 D HA -0.041 4.762 4.640 0.273 0.000 0.241 330 D C 0.431 176.673 176.300 -0.097 0.000 1.271 330 D CA -0.419 53.536 54.000 -0.076 0.000 0.942 330 D CB 0.707 41.470 40.800 -0.060 0.000 1.129 330 D HN 0.383 nan 8.370 nan 0.000 0.476 331 D N -0.311 120.041 120.400 -0.079 0.000 2.264 331 D HA -0.116 4.688 4.640 0.273 0.000 0.208 331 D C 1.614 177.850 176.300 -0.107 0.000 0.966 331 D CA 0.902 54.853 54.000 -0.082 0.000 0.864 331 D CB 0.054 40.827 40.800 -0.046 0.000 0.933 331 D HN 0.550 nan 8.370 nan 0.000 0.499 332 E N 0.553 120.691 120.200 -0.103 0.000 2.047 332 E HA -0.125 4.388 4.350 0.273 0.000 0.191 332 E C 1.927 178.405 176.600 -0.203 0.000 0.987 332 E CA 0.613 56.941 56.400 -0.121 0.000 0.799 332 E CB 0.079 29.729 29.700 -0.084 0.000 0.752 332 E HN 0.259 nan 8.360 nan 0.000 0.449 333 E N 0.799 120.880 120.200 -0.199 0.000 2.150 333 E HA -0.220 4.294 4.350 0.273 0.000 0.193 333 E C 1.989 178.344 176.600 -0.409 0.000 0.985 333 E CA 0.809 57.042 56.400 -0.278 0.000 0.814 333 E CB 0.106 29.735 29.700 -0.118 0.000 0.752 333 E HN 0.026 nan 8.360 nan 0.000 0.466 334 K N 0.448 120.628 120.400 -0.367 0.000 2.057 334 K HA -0.171 4.313 4.320 0.273 0.000 0.206 334 K C 2.171 178.313 176.600 -0.764 0.000 1.050 334 K CA 0.994 56.947 56.287 -0.557 0.000 0.935 334 K CB -0.088 32.177 32.500 -0.391 0.000 0.715 334 K HN 0.131 nan 8.250 nan 0.000 0.439 335 L N 1.671 122.649 121.223 -0.409 0.000 2.240 335 L HA -0.056 4.448 4.340 0.273 0.000 0.211 335 L C 1.210 177.921 176.870 -0.266 0.000 1.106 335 L CA 1.704 56.416 54.840 -0.214 0.000 0.793 335 L CB -0.353 41.665 42.059 -0.068 0.000 0.927 335 L HN 0.149 nan 8.230 nan 0.000 0.446 336 D N -0.334 119.791 120.400 -0.458 0.000 2.117 336 D HA -0.194 4.610 4.640 0.273 0.000 0.197 336 D C 2.291 178.166 176.300 -0.708 0.000 0.987 336 D CA 1.561 55.139 54.000 -0.703 0.000 0.829 336 D CB -0.190 39.845 40.800 -1.275 0.000 0.961 336 D HN 0.341 nan 8.370 nan 0.000 0.460 337 L N -0.416 120.410 121.223 -0.663 0.000 2.017 337 L HA -0.134 4.369 4.340 0.273 0.000 0.208 337 L C 2.452 179.328 176.870 0.011 0.000 1.073 337 L CA 1.048 55.704 54.840 -0.308 0.000 0.745 337 L CB -0.469 41.413 42.059 -0.295 0.000 0.894 337 L HN 0.046 nan 8.230 nan 0.000 0.432 338 F N -0.641 119.301 119.950 -0.013 0.000 2.234 338 F HA -0.197 4.484 4.527 0.257 0.000 0.299 338 F C 2.836 178.652 175.800 0.027 0.000 1.087 338 F CA 0.459 58.479 58.000 0.033 0.000 1.340 338 F CB -0.207 38.816 39.000 0.038 0.000 1.031 338 F HN -0.004 nan 8.300 nan 0.000 0.500 339 R N 0.592 121.190 120.500 0.162 0.000 2.081 339 R HA -0.124 4.379 4.340 0.273 0.000 0.235 339 R C 2.032 178.426 176.300 0.157 0.000 1.131 339 R CA 1.219 57.392 56.100 0.122 0.000 0.960 339 R CB -0.335 29.991 30.300 0.043 0.000 0.856 339 R HN 0.112 nan 8.270 nan 0.000 0.436 340 V N -0.068 119.937 119.914 0.153 0.000 2.358 340 V HA -0.192 4.091 4.120 0.273 0.000 0.246 340 V C 2.275 178.526 176.094 0.261 0.000 1.047 340 V CA 1.404 63.832 62.300 0.214 0.000 1.035 340 V CB -0.150 31.813 31.823 0.233 0.000 0.658 340 V HN 0.168 nan 8.190 nan 0.000 0.452 341 V N 0.481 120.550 119.914 0.259 0.000 2.287 341 V HA -0.273 4.010 4.120 0.273 0.000 0.248 341 V C 2.702 178.955 176.094 0.266 0.000 1.053 341 V CA 2.206 64.666 62.300 0.266 0.000 1.027 341 V CB -1.069 30.839 31.823 0.141 0.000 0.646 341 V HN 0.564 nan 8.190 nan 0.000 0.447 342 A N 0.278 123.208 122.820 0.184 0.000 1.929 342 A HA -0.012 4.471 4.320 0.273 0.000 0.216 342 A C 2.427 180.144 177.584 0.221 0.000 1.176 342 A CA 1.649 53.757 52.037 0.118 0.000 0.628 342 A CB -1.188 17.891 19.000 0.133 0.000 0.816 342 A HN 0.524 nan 8.150 nan 0.000 0.444 343 G N -0.193 108.769 108.800 0.269 0.000 2.513 343 G HA2 -0.226 3.898 3.960 0.273 0.000 0.219 343 G HA3 -0.226 3.898 3.960 0.273 0.000 0.219 343 G C 1.506 176.578 174.900 0.288 0.000 1.160 343 G CA 1.474 46.747 45.100 0.289 0.000 0.767 343 G HN 0.340 nan 8.290 nan 0.000 0.571 344 V N 0.754 120.858 119.914 0.315 0.000 2.427 344 V HA -0.079 4.204 4.120 0.273 0.000 0.248 344 V C 2.901 179.173 176.094 0.298 0.000 1.051 344 V CA 1.325 63.853 62.300 0.379 0.000 1.048 344 V CB -0.333 31.798 31.823 0.514 0.000 0.666 344 V HN 0.347 nan 8.190 nan 0.000 0.456 345 L N -0.963 120.339 121.223 0.132 0.000 2.027 345 L HA -0.160 4.344 4.340 0.273 0.000 0.206 345 L C 2.673 179.475 176.870 -0.113 0.000 1.074 345 L CA 1.497 56.228 54.840 -0.180 0.000 0.745 345 L CB -0.799 40.846 42.059 -0.690 0.000 0.898 345 L HN 0.406 nan 8.230 nan 0.000 0.433 346 H N -0.674 118.479 119.070 0.139 0.000 2.428 346 H HA -0.115 4.605 4.556 0.274 0.000 0.296 346 H C 2.104 177.472 175.328 0.068 0.000 1.062 346 H CA 1.197 57.362 56.048 0.195 0.000 1.350 346 H CB -0.007 29.909 29.762 0.258 0.000 1.403 346 H HN 0.180 nan 8.280 nan 0.000 0.533 347 L N 0.922 122.248 121.223 0.171 0.000 2.043 347 L HA -0.075 4.428 4.340 0.273 0.000 0.212 347 L C 2.442 179.277 176.870 -0.058 0.000 1.075 347 L CA 2.105 57.013 54.840 0.115 0.000 0.752 347 L CB -0.976 41.212 42.059 0.214 0.000 0.891 347 L HN 0.219 nan 8.230 nan 0.000 0.432 348 G N -1.311 107.227 108.800 -0.436 0.000 2.509 348 G HA2 -0.227 3.896 3.960 0.273 0.000 0.218 348 G HA3 -0.227 3.896 3.960 0.273 0.000 0.218 348 G C 1.169 175.802 174.900 -0.444 0.000 1.124 348 G CA 0.594 45.097 45.100 -0.994 0.000 0.776 348 G HN 0.479 nan 8.290 nan 0.000 0.547 349 N N 0.251 118.820 118.700 -0.219 0.000 2.398 349 N HA 0.137 5.041 4.740 0.273 0.000 0.188 349 N C 0.420 175.842 175.510 -0.147 0.000 1.122 349 N CA -0.066 52.904 53.050 -0.133 0.000 0.866 349 N CB 0.328 38.786 38.487 -0.048 0.000 0.970 349 N HN 0.292 nan 8.380 nan 0.000 0.462 350 I N 1.277 121.745 120.570 -0.170 0.000 2.379 350 I HA 0.059 4.393 4.170 0.273 0.000 0.290 350 I C 0.238 176.030 176.117 -0.541 0.000 1.063 350 I CA 0.131 61.248 61.300 -0.305 0.000 1.351 350 I CB 0.495 38.357 38.000 -0.230 0.000 1.410 350 I HN -0.135 nan 8.210 nan 0.000 0.505 351 D N 6.060 126.097 120.400 -0.606 0.000 2.442 351 D HA 0.608 5.411 4.640 0.273 0.000 0.254 351 D C -0.789 174.946 176.300 -0.940 0.000 1.069 351 D CA -0.184 53.469 54.000 -0.579 0.000 1.017 351 D CB 2.193 42.845 40.800 -0.247 0.000 1.172 351 D HN 0.148 nan 8.370 nan 0.000 0.561 352 F N -0.368 119.585 119.950 0.006 0.000 2.643 352 F HA 0.293 4.983 4.527 0.271 0.000 0.314 352 F C -0.092 175.711 175.800 0.004 0.000 1.096 352 F CA -0.964 57.041 58.000 0.007 0.000 0.953 352 F CB 1.979 40.989 39.000 0.016 0.000 1.345 352 F HN 0.193 nan 8.300 nan 0.000 0.468 353 E N -0.085 120.238 120.200 0.204 0.000 2.331 353 E HA 0.220 4.734 4.350 0.273 0.000 0.275 353 E C -1.329 175.322 176.600 0.085 0.000 0.895 353 E CA -1.005 55.458 56.400 0.105 0.000 0.753 353 E CB 2.260 31.995 29.700 0.059 0.000 1.216 353 E HN 0.639 nan 8.360 nan 0.000 0.434 354 E N 2.522 122.756 120.200 0.056 0.000 2.614 354 E HA 0.045 4.558 4.350 0.273 0.000 0.245 354 E C -0.122 176.496 176.600 0.030 0.000 1.039 354 E CA 0.210 56.631 56.400 0.036 0.000 0.948 354 E CB 0.366 30.081 29.700 0.025 0.000 0.937 354 E HN 0.583 nan 8.360 nan 0.000 0.498 362 C N -0.364 118.931 119.300 -0.009 0.000 3.321 362 C HA 0.900 5.524 4.460 0.273 0.000 0.329 362 C C -1.562 173.462 174.990 0.058 0.000 1.394 362 C CA -0.978 58.052 59.018 0.021 0.000 1.291 362 C CB 1.514 29.246 27.740 -0.014 0.000 1.606 362 C HN 0.528 nan 8.230 nan 0.000 0.463 363 N N 0.369 119.151 118.700 0.137 0.000 2.277 363 N HA 0.565 5.468 4.740 0.273 0.000 0.286 363 N C -1.562 174.116 175.510 0.279 0.000 1.140 363 N CA -0.355 52.795 53.050 0.167 0.000 0.799 363 N CB 1.958 40.498 38.487 0.089 0.000 1.596 363 N HN 0.838 nan 8.380 nan 0.000 0.473 364 L N 2.208 123.577 121.223 0.243 0.000 2.584 364 L HA 0.058 4.562 4.340 0.273 0.000 0.272 364 L C 1.026 177.889 176.870 -0.011 0.000 1.195 364 L CA 0.692 55.574 54.840 0.070 0.000 0.920 364 L CB 0.049 42.121 42.059 0.021 0.000 1.173 364 L HN 0.289 nan 8.230 nan 0.000 0.489 365 K N 2.727 123.076 120.400 -0.086 0.000 2.397 365 K HA -0.069 4.415 4.320 0.273 0.000 0.265 365 K C 1.048 177.603 176.600 -0.075 0.000 0.982 365 K CA -0.193 56.052 56.287 -0.070 0.000 0.931 365 K CB 0.331 32.775 32.500 -0.095 0.000 0.943 365 K HN 0.562 nan 8.250 nan 0.000 0.501 366 N N 1.992 120.658 118.700 -0.056 0.000 2.270 366 N HA -0.139 4.765 4.740 0.273 0.000 0.181 366 N C 1.468 176.933 175.510 -0.075 0.000 1.016 366 N CA 1.086 54.102 53.050 -0.058 0.000 0.870 366 N CB 0.168 38.630 38.487 -0.042 0.000 0.979 366 N HN 0.510 nan 8.380 nan 0.000 0.431 367 K N -0.091 120.263 120.400 -0.076 0.000 2.280 367 K HA 0.032 4.515 4.320 0.273 0.000 0.202 367 K C 1.174 177.709 176.600 -0.107 0.000 1.047 367 K CA 1.090 57.327 56.287 -0.084 0.000 0.942 367 K CB -0.043 32.411 32.500 -0.075 0.000 0.739 367 K HN -0.114 nan 8.250 nan 0.000 0.457 368 S N 0.922 116.545 115.700 -0.128 0.000 2.593 368 S HA 0.025 4.658 4.470 0.273 0.000 0.217 368 S C 1.182 175.689 174.600 -0.154 0.000 0.966 368 S CA 0.340 58.448 58.200 -0.153 0.000 0.914 368 S CB 0.205 63.276 63.200 -0.216 0.000 0.776 368 S HN 0.383 nan 8.310 nan 0.000 0.523 369 T N 3.315 117.781 114.554 -0.146 0.000 2.759 369 T HA -0.216 4.298 4.350 0.273 0.000 0.269 369 T C 2.076 176.630 174.700 -0.243 0.000 1.042 369 T CA 1.691 63.696 62.100 -0.158 0.000 1.140 369 T CB -0.234 68.555 68.868 -0.133 0.000 0.864 369 T HN 0.755 nan 8.240 nan 0.000 0.455 370 Q N 0.841 120.456 119.800 -0.308 0.000 2.187 370 Q HA 0.242 4.746 4.340 0.273 0.000 0.199 370 Q C 2.510 178.096 176.000 -0.690 0.000 0.957 370 Q CA 0.985 56.424 55.803 -0.606 0.000 0.857 370 Q CB -0.433 27.945 28.738 -0.600 0.000 0.929 370 Q HN 0.433 nan 8.270 nan 0.000 0.453 371 A N 1.906 124.557 122.820 -0.281 0.000 1.883 371 A HA -0.200 4.283 4.320 0.273 0.000 0.217 371 A C 2.164 179.694 177.584 -0.090 0.000 1.186 371 A CA 1.573 53.569 52.037 -0.068 0.000 0.624 371 A CB -0.863 18.142 19.000 0.008 0.000 0.822 371 A HN 0.428 nan 8.150 nan 0.000 0.444 372 L N 0.132 121.279 121.223 -0.125 0.000 2.013 372 L HA -0.230 4.273 4.340 0.273 0.000 0.212 372 L C 2.446 179.254 176.870 -0.103 0.000 1.073 372 L CA 2.891 57.683 54.840 -0.079 0.000 0.753 372 L CB -0.551 41.461 42.059 -0.079 0.000 0.890 372 L HN 0.652 nan 8.230 nan 0.000 0.432 373 E N -1.426 118.635 120.200 -0.230 0.000 2.051 373 E HA -0.272 4.241 4.350 0.273 0.000 0.192 373 E C 2.191 178.706 176.600 -0.142 0.000 0.991 373 E CA 1.840 58.100 56.400 -0.234 0.000 0.799 373 E CB -0.499 28.969 29.700 -0.386 0.000 0.748 373 E HN 0.731 nan 8.360 nan 0.000 0.449 374 Y N -0.067 120.103 120.300 -0.218 0.000 2.184 374 Y HA -0.227 4.487 4.550 0.273 0.000 0.290 374 Y C 2.997 178.852 175.900 -0.076 0.000 1.129 374 Y CA 0.440 58.368 58.100 -0.286 0.000 1.144 374 Y CB -0.447 37.555 38.460 -0.764 0.000 0.995 374 Y HN 0.311 nan 8.280 nan 0.000 0.513 375 C N 0.549 119.935 119.300 0.143 0.000 2.413 375 C HA -0.224 4.400 4.460 0.273 0.000 0.276 375 C C 2.979 178.053 174.990 0.140 0.000 1.236 375 C CA 1.486 60.619 59.018 0.192 0.000 1.735 375 C CB -1.314 26.530 27.740 0.175 0.000 2.031 375 C HN 0.576 nan 8.230 nan 0.000 0.474 376 A N -0.288 122.584 122.820 0.086 0.000 1.898 376 A HA -0.182 4.302 4.320 0.273 0.000 0.216 376 A C 2.254 179.884 177.584 0.077 0.000 1.181 376 A CA 1.810 53.887 52.037 0.067 0.000 0.620 376 A CB -0.907 18.113 19.000 0.033 0.000 0.819 376 A HN 0.813 nan 8.150 nan 0.000 0.442 377 E N -0.043 120.211 120.200 0.089 0.000 2.051 377 E HA -0.173 4.341 4.350 0.273 0.000 0.192 377 E C 1.909 178.579 176.600 0.116 0.000 0.991 377 E CA 1.297 57.759 56.400 0.103 0.000 0.799 377 E CB -0.191 29.592 29.700 0.139 0.000 0.748 377 E HN 0.631 nan 8.360 nan 0.000 0.449 378 L N 0.373 121.685 121.223 0.149 0.000 2.156 378 L HA -0.088 4.415 4.340 0.273 0.000 0.208 378 L C 2.188 179.141 176.870 0.139 0.000 1.095 378 L CA 0.571 55.503 54.840 0.153 0.000 0.770 378 L CB -0.053 42.129 42.059 0.205 0.000 0.914 378 L HN 0.173 nan 8.230 nan 0.000 0.439 379 L N -0.331 120.974 121.223 0.136 0.000 2.628 379 L HA 0.257 4.761 4.340 0.273 0.000 0.229 379 L C 1.103 178.024 176.870 0.085 0.000 1.137 379 L CA 0.136 55.051 54.840 0.125 0.000 0.909 379 L CB -0.314 41.825 42.059 0.134 0.000 1.137 379 L HN 0.390 nan 8.230 nan 0.000 0.470 380 G N 1.383 110.228 108.800 0.076 0.000 2.295 380 G HA2 -0.267 3.857 3.960 0.273 0.000 0.287 380 G HA3 -0.267 3.857 3.960 0.273 0.000 0.287 380 G C -0.161 174.758 174.900 0.032 0.000 1.055 380 G CA 0.101 45.232 45.100 0.052 0.000 0.922 380 G HN 0.273 nan 8.290 nan 0.000 0.503 381 L N -0.646 120.598 121.223 0.036 0.000 2.342 381 L HA 0.513 5.017 4.340 0.273 0.000 0.271 381 L C 0.286 177.170 176.870 0.022 0.000 1.008 381 L CA -1.208 53.645 54.840 0.022 0.000 0.818 381 L CB 1.724 43.799 42.059 0.026 0.000 1.296 381 L HN 0.228 nan 8.230 nan 0.000 0.427 382 D N 0.804 121.212 120.400 0.014 0.000 2.425 382 D HA 0.006 4.810 4.640 0.273 0.000 0.247 382 D C 0.974 177.282 176.300 0.013 0.000 1.147 382 D CA 0.188 54.195 54.000 0.011 0.000 0.879 382 D CB 1.060 41.864 40.800 0.007 0.000 1.179 382 D HN 0.479 nan 8.370 nan 0.000 0.456 383 Q N 2.276 122.081 119.800 0.007 0.000 2.112 383 Q HA -0.230 4.273 4.340 0.273 0.000 0.206 383 Q C 0.950 176.956 176.000 0.010 0.000 0.987 383 Q CA 1.785 57.589 55.803 0.002 0.000 0.858 383 Q CB 0.024 28.752 28.738 -0.017 0.000 0.905 383 Q HN 0.669 nan 8.270 nan 0.000 0.420 384 D N -0.007 120.398 120.400 0.008 0.000 2.137 384 D HA -0.127 4.676 4.640 0.273 0.000 0.202 384 D C 1.273 177.586 176.300 0.021 0.000 0.970 384 D CA 0.950 54.957 54.000 0.013 0.000 0.837 384 D CB 0.097 40.901 40.800 0.007 0.000 0.981 384 D HN 0.105 nan 8.370 nan 0.000 0.475 385 D N -0.081 120.330 120.400 0.019 0.000 2.149 385 D HA -0.154 4.650 4.640 0.273 0.000 0.198 385 D C 1.987 178.309 176.300 0.036 0.000 0.990 385 D CA 0.487 54.500 54.000 0.022 0.000 0.839 385 D CB -0.278 40.530 40.800 0.013 0.000 0.948 385 D HN 0.223 nan 8.370 nan 0.000 0.460 386 L N 0.960 122.207 121.223 0.040 0.000 2.072 386 L HA -0.050 4.453 4.340 0.273 0.000 0.205 386 L C 2.235 179.155 176.870 0.084 0.000 1.079 386 L CA 1.540 56.416 54.840 0.059 0.000 0.752 386 L CB -0.512 41.582 42.059 0.058 0.000 0.906 386 L HN -0.138 nan 8.230 nan 0.000 0.436 387 R N -0.876 119.668 120.500 0.074 0.000 2.091 387 R HA -0.145 4.358 4.340 0.273 0.000 0.238 387 R C 1.981 178.337 176.300 0.094 0.000 1.136 387 R CA 2.137 58.295 56.100 0.096 0.000 0.959 387 R CB -0.381 29.957 30.300 0.063 0.000 0.856 387 R HN 0.361 nan 8.270 nan 0.000 0.437 388 V N 0.275 120.227 119.914 0.063 0.000 2.323 388 V HA -0.150 4.134 4.120 0.273 0.000 0.244 388 V C 2.171 178.298 176.094 0.055 0.000 1.041 388 V CA 2.010 64.338 62.300 0.046 0.000 1.025 388 V CB -0.156 31.685 31.823 0.029 0.000 0.656 388 V HN 0.365 nan 8.190 nan 0.000 0.451 389 S N -0.187 115.561 115.700 0.080 0.000 2.474 389 S HA 0.034 4.668 4.470 0.273 0.000 0.235 389 S C 1.769 176.484 174.600 0.192 0.000 0.997 389 S CA 0.954 59.237 58.200 0.139 0.000 0.949 389 S CB -0.194 63.084 63.200 0.129 0.000 0.766 389 S HN 0.438 nan 8.310 nan 0.000 0.517 390 L N 1.033 122.336 121.223 0.133 0.000 2.209 390 L HA -0.007 4.497 4.340 0.273 0.000 0.207 390 L C 2.444 179.283 176.870 -0.052 0.000 1.094 390 L CA 1.281 56.185 54.840 0.106 0.000 0.790 390 L CB -0.489 41.699 42.059 0.215 0.000 0.932 390 L HN 0.395 nan 8.230 nan 0.000 0.447 391 T N -5.090 109.443 114.554 -0.035 0.000 3.040 391 T HA 0.099 4.612 4.350 0.273 0.000 0.250 391 T C 0.649 175.294 174.700 -0.090 0.000 1.058 391 T CA 0.285 62.316 62.100 -0.115 0.000 0.988 391 T CB -0.049 68.802 68.868 -0.028 0.000 0.993 391 T HN 0.284 nan 8.240 nan 0.000 0.519 392 T N 0.099 114.609 114.554 -0.072 0.000 2.894 392 T HA 0.693 5.206 4.350 0.273 0.000 0.309 392 T C -1.228 173.322 174.700 -0.250 0.000 1.208 392 T CA -1.228 60.799 62.100 -0.123 0.000 1.016 392 T CB 2.764 71.588 68.868 -0.072 0.000 1.192 392 T HN 0.639 nan 8.240 nan 0.000 0.491 393 R N 0.606 120.904 120.500 -0.337 0.000 2.795 393 R HA 0.830 5.333 4.340 0.273 0.000 0.275 393 R C -0.188 175.987 176.300 -0.209 0.000 0.981 393 R CA -1.036 54.779 56.100 -0.476 0.000 0.917 393 R CB 1.672 31.520 30.300 -0.753 0.000 1.202 393 R HN 0.730 nan 8.270 nan 0.000 0.469 394 V N 0.167 120.004 119.914 -0.129 0.000 3.214 394 V HA 0.650 4.934 4.120 0.273 0.000 0.306 394 V C 0.021 176.083 176.094 -0.052 0.000 1.078 394 V CA -0.733 61.530 62.300 -0.063 0.000 1.077 394 V CB 1.055 32.863 31.823 -0.024 0.000 1.121 394 V HN 0.926 nan 8.190 nan 0.000 0.468 395 M N 1.919 121.500 119.600 -0.031 0.000 2.449 395 M HA 0.376 5.020 4.480 0.273 0.000 0.291 395 M C -1.798 174.495 176.300 -0.012 0.000 1.148 395 M CA -0.522 54.766 55.300 -0.021 0.000 0.925 395 M CB 2.156 34.738 32.600 -0.030 0.000 1.767 395 M HN 0.798 nan 8.290 nan 0.000 0.503 396 L N 1.796 123.016 121.223 -0.005 0.000 2.395 396 L HA 0.433 4.937 4.340 0.273 0.000 0.269 396 L C 1.417 178.285 176.870 -0.004 0.000 1.133 396 L CA 0.801 55.639 54.840 -0.002 0.000 0.812 396 L CB 1.490 43.551 42.059 0.002 0.000 1.125 396 L HN 0.916 nan 8.230 nan 0.000 0.452 397 T N -1.876 112.675 114.554 -0.004 0.000 3.085 397 T HA 0.035 4.549 4.350 0.273 0.000 0.263 397 T C 0.699 175.398 174.700 -0.002 0.000 1.127 397 T CA 0.715 62.813 62.100 -0.004 0.000 1.103 397 T CB -0.713 68.152 68.868 -0.004 0.000 0.921 397 T HN 0.739 nan 8.240 nan 0.000 0.510 398 T N -2.581 111.973 114.554 0.000 0.000 2.926 398 T HA 0.830 5.344 4.350 0.273 0.000 0.289 398 T C 0.680 175.382 174.700 0.004 0.000 1.054 398 T CA -0.396 61.705 62.100 0.002 0.000 1.015 398 T CB 1.938 70.808 68.868 0.003 0.000 1.167 398 T HN 0.069 nan 8.240 nan 0.000 0.526 399 A N -0.106 122.717 122.820 0.006 0.000 1.977 399 A HA 0.659 5.142 4.320 0.273 0.000 0.197 399 A C 1.502 179.091 177.584 0.010 0.000 1.554 399 A CA 0.348 52.390 52.037 0.008 0.000 1.037 399 A CB -0.071 18.934 19.000 0.008 0.000 1.083 399 A HN 1.228 nan 8.150 nan 0.000 0.471 400 G N -1.036 107.769 108.800 0.009 0.000 4.804 400 G HA2 0.498 4.622 3.960 0.273 0.000 0.310 400 G HA3 0.498 4.622 3.960 0.273 0.000 0.310 400 G C 0.896 175.802 174.900 0.009 0.000 1.389 400 G CA 0.370 45.476 45.100 0.010 0.000 1.106 400 G HN 1.538 nan 8.290 nan 0.000 0.595 401 G N 0.109 108.914 108.800 0.009 0.000 2.399 401 G HA2 0.079 4.203 3.960 0.273 0.000 0.216 401 G HA3 0.079 4.203 3.960 0.273 0.000 0.216 401 G C 0.998 175.902 174.900 0.007 0.000 1.096 401 G CA 0.155 45.260 45.100 0.008 0.000 0.650 401 G HN 1.651 nan 8.290 nan 0.000 0.512 402 A N 1.130 123.953 122.820 0.006 0.000 2.520 402 A HA 0.472 4.956 4.320 0.273 0.000 0.235 402 A C 0.767 178.353 177.584 0.005 0.000 1.065 402 A CA 1.250 53.290 52.037 0.005 0.000 0.764 402 A CB 0.111 19.113 19.000 0.004 0.000 1.002 402 A HN 0.907 nan 8.150 nan 0.000 0.502 403 K N 1.014 121.417 120.400 0.004 0.000 2.511 403 K HA 0.254 4.738 4.320 0.273 0.000 0.280 403 K C 0.470 177.072 176.600 0.003 0.000 1.008 403 K CA 0.907 57.196 56.287 0.003 0.000 1.050 403 K CB 0.086 32.588 32.500 0.003 0.000 0.889 403 K HN 0.840 nan 8.250 nan 0.000 0.484 404 G N 1.889 110.691 108.800 0.002 0.000 2.730 404 G HA2 0.465 4.589 3.960 0.273 0.000 0.289 404 G HA3 0.465 4.589 3.960 0.273 0.000 0.289 404 G C -1.261 173.639 174.900 0.000 0.000 1.341 404 G CA -0.521 44.580 45.100 0.001 0.000 0.932 404 G HN 0.529 nan 8.290 nan 0.000 0.481 405 T N -0.218 114.335 114.554 -0.001 0.000 2.912 405 T HA 0.499 5.012 4.350 0.273 0.000 0.288 405 T C -0.185 174.513 174.700 -0.004 0.000 1.030 405 T CA -0.294 61.805 62.100 -0.002 0.000 1.020 405 T CB 1.873 70.739 68.868 -0.003 0.000 1.056 405 T HN 0.334 nan 8.240 nan 0.000 0.480 406 V N 4.359 124.271 119.914 -0.004 0.000 2.488 406 V HA 0.421 4.704 4.120 0.273 0.000 0.277 406 V C 0.257 176.345 176.094 -0.010 0.000 1.046 406 V CA -0.317 61.979 62.300 -0.007 0.000 0.986 406 V CB -0.049 31.771 31.823 -0.005 0.000 0.989 406 V HN 0.683 nan 8.190 nan 0.000 0.475 407 I N 2.079 122.641 120.570 -0.015 0.000 2.846 407 I HA 0.675 5.009 4.170 0.273 0.000 0.307 407 I C -0.407 175.694 176.117 -0.027 0.000 1.053 407 I CA -1.127 60.162 61.300 -0.019 0.000 1.050 407 I CB 2.035 40.024 38.000 -0.018 0.000 1.239 407 I HN 0.315 nan 8.210 nan 0.000 0.439 408 K N 3.059 123.442 120.400 -0.029 0.000 2.240 408 K HA 0.624 5.108 4.320 0.273 0.000 0.271 408 K C -1.325 175.248 176.600 -0.045 0.000 1.018 408 K CA -0.697 55.567 56.287 -0.039 0.000 0.874 408 K CB 2.215 34.697 32.500 -0.031 0.000 1.098 408 K HN 0.451 nan 8.250 nan 0.000 0.458 409 V N 5.384 125.260 119.914 -0.065 0.000 2.409 409 V HA 0.289 4.573 4.120 0.273 0.000 0.291 409 V C -2.317 173.728 176.094 -0.082 0.000 1.020 409 V CA -2.287 59.973 62.300 -0.066 0.000 0.848 409 V CB 1.401 33.182 31.823 -0.071 0.000 0.990 409 V HN 0.660 nan 8.190 nan 0.000 0.430 410 P HA 0.415 nan 4.420 nan 0.000 0.278 410 P C -0.815 176.438 177.300 -0.078 0.000 1.238 410 P CA -0.355 62.705 63.100 -0.067 0.000 0.794 410 P CB 0.792 32.465 31.700 -0.044 0.000 0.955 411 L N 2.054 123.220 121.223 -0.095 0.000 2.343 411 L HA 0.407 4.910 4.340 0.273 0.000 0.275 411 L C 0.989 177.804 176.870 -0.091 0.000 1.056 411 L CA -0.913 53.866 54.840 -0.103 0.000 0.804 411 L CB 0.823 42.800 42.059 -0.136 0.000 1.203 411 L HN 0.269 nan 8.230 nan 0.000 0.440 412 K N 0.861 121.219 120.400 -0.071 0.000 2.149 412 K HA 0.108 4.591 4.320 0.273 0.000 0.245 412 K C 1.000 177.555 176.600 -0.075 0.000 1.024 412 K CA -0.577 55.679 56.287 -0.053 0.000 0.899 412 K CB 0.948 33.430 32.500 -0.031 0.000 1.038 412 K HN 0.308 nan 8.250 nan 0.000 0.496 413 V N 1.513 121.407 119.914 -0.034 0.000 2.287 413 V HA -0.229 4.055 4.120 0.273 0.000 0.248 413 V C 2.043 178.127 176.094 -0.016 0.000 1.053 413 V CA 1.770 64.065 62.300 -0.009 0.000 1.027 413 V CB -0.434 31.428 31.823 0.066 0.000 0.646 413 V HN 0.678 nan 8.190 nan 0.000 0.447 414 E N -0.352 119.847 120.200 -0.001 0.000 2.274 414 E HA -0.181 4.332 4.350 0.273 0.000 0.194 414 E C 2.243 178.838 176.600 -0.008 0.000 0.996 414 E CA 0.787 57.196 56.400 0.014 0.000 0.840 414 E CB -0.079 29.630 29.700 0.016 0.000 0.772 414 E HN 0.701 nan 8.360 nan 0.000 0.491 415 Q N -0.151 119.623 119.800 -0.042 0.000 2.245 415 Q HA 0.035 4.539 4.340 0.273 0.000 0.201 415 Q C 2.053 178.003 176.000 -0.084 0.000 0.955 415 Q CA 0.916 56.693 55.803 -0.043 0.000 0.870 415 Q CB 0.082 28.792 28.738 -0.046 0.000 0.945 415 Q HN 0.166 nan 8.270 nan 0.000 0.461 416 A N 1.433 124.118 122.820 -0.225 0.000 1.897 416 A HA -0.179 4.305 4.320 0.273 0.000 0.215 416 A C 1.607 179.043 177.584 -0.246 0.000 1.181 416 A CA 1.381 53.117 52.037 -0.501 0.000 0.620 416 A CB -0.596 17.615 19.000 -1.316 0.000 0.821 416 A HN 0.381 nan 8.150 nan 0.000 0.443 417 N N 0.188 118.882 118.700 -0.010 0.000 2.094 417 N HA -0.188 4.715 4.740 0.273 0.000 0.191 417 N C 1.618 177.216 175.510 0.146 0.000 1.023 417 N CA 1.523 54.695 53.050 0.204 0.000 0.857 417 N CB -0.315 38.276 38.487 0.174 0.000 1.013 417 N HN 0.614 nan 8.380 nan 0.000 0.426 418 N N 0.437 119.182 118.700 0.075 0.000 2.188 418 N HA -0.073 4.831 4.740 0.273 0.000 0.184 418 N C 1.802 177.358 175.510 0.077 0.000 1.018 418 N CA 0.743 53.836 53.050 0.070 0.000 0.858 418 N CB -0.038 38.475 38.487 0.045 0.000 0.989 418 N HN 0.232 nan 8.380 nan 0.000 0.426 419 A N 1.949 124.809 122.820 0.066 0.000 1.897 419 A HA -0.108 4.375 4.320 0.273 0.000 0.215 419 A C 2.164 179.797 177.584 0.081 0.000 1.181 419 A CA 0.717 52.781 52.037 0.046 0.000 0.620 419 A CB -0.406 18.631 19.000 0.062 0.000 0.821 419 A HN 0.153 nan 8.150 nan 0.000 0.443 420 R N 0.138 120.729 120.500 0.152 0.000 2.096 420 R HA -0.200 4.304 4.340 0.273 0.000 0.240 420 R C 1.138 177.589 176.300 0.251 0.000 1.139 420 R CA 2.258 58.500 56.100 0.236 0.000 0.952 420 R CB -0.584 29.923 30.300 0.345 0.000 0.854 420 R HN 0.450 nan 8.270 nan 0.000 0.436 421 D N 0.118 120.653 120.400 0.226 0.000 2.149 421 D HA -0.036 4.768 4.640 0.273 0.000 0.201 421 D C 1.785 178.155 176.300 0.116 0.000 0.972 421 D CA 1.293 55.402 54.000 0.182 0.000 0.835 421 D CB -0.275 40.603 40.800 0.129 0.000 0.966 421 D HN 0.362 nan 8.370 nan 0.000 0.476 422 A N 1.081 123.964 122.820 0.105 0.000 1.883 422 A HA -0.159 4.325 4.320 0.273 0.000 0.217 422 A C 2.152 179.808 177.584 0.120 0.000 1.186 422 A CA 1.161 53.253 52.037 0.092 0.000 0.624 422 A CB -0.756 18.280 19.000 0.060 0.000 0.822 422 A HN 0.264 nan 8.150 nan 0.000 0.444 423 L N -0.323 120.974 121.223 0.123 0.000 2.083 423 L HA -0.017 4.486 4.340 0.273 0.000 0.209 423 L C 2.565 179.569 176.870 0.223 0.000 1.083 423 L CA 2.151 57.085 54.840 0.157 0.000 0.752 423 L CB -0.807 41.326 42.059 0.123 0.000 0.899 423 L HN 0.331 nan 8.230 nan 0.000 0.433 424 A N -0.313 122.645 122.820 0.231 0.000 1.877 424 A HA -0.228 4.255 4.320 0.273 0.000 0.216 424 A C 2.332 180.053 177.584 0.228 0.000 1.186 424 A CA 2.009 54.203 52.037 0.261 0.000 0.620 424 A CB -0.518 18.629 19.000 0.245 0.000 0.822 424 A HN 0.517 nan 8.150 nan 0.000 0.443 425 K N -0.827 119.667 120.400 0.157 0.000 2.097 425 K HA -0.083 4.401 4.320 0.273 0.000 0.206 425 K C 2.058 178.793 176.600 0.225 0.000 1.049 425 K CA 1.750 58.137 56.287 0.167 0.000 0.933 425 K CB -0.340 32.227 32.500 0.112 0.000 0.717 425 K HN 0.493 nan 8.250 nan 0.000 0.442 426 T N 0.746 115.441 114.554 0.235 0.000 2.812 426 T HA -0.083 4.430 4.350 0.273 0.000 0.264 426 T C 2.034 176.921 174.700 0.311 0.000 1.042 426 T CA 1.027 63.300 62.100 0.288 0.000 1.140 426 T CB -0.143 68.911 68.868 0.310 0.000 0.870 426 T HN -0.069 nan 8.240 nan 0.000 0.445 427 V N 0.420 120.519 119.914 0.309 0.000 2.261 427 V HA -0.172 4.111 4.120 0.273 0.000 0.246 427 V C 2.033 178.267 176.094 0.232 0.000 1.047 427 V CA 1.621 64.087 62.300 0.277 0.000 1.015 427 V CB -0.707 31.324 31.823 0.345 0.000 0.642 427 V HN 0.473 nan 8.190 nan 0.000 0.446 428 Y N 0.690 121.104 120.300 0.190 0.000 2.181 428 Y HA -0.268 4.438 4.550 0.260 0.000 0.288 428 Y C 2.954 178.918 175.900 0.108 0.000 1.146 428 Y CA 2.034 60.239 58.100 0.175 0.000 1.164 428 Y CB -0.273 38.314 38.460 0.212 0.000 0.982 428 Y HN 0.241 nan 8.280 nan 0.000 0.515 429 S N -1.101 114.717 115.700 0.197 0.000 2.382 429 S HA -0.254 4.380 4.470 0.273 0.000 0.228 429 S C 1.710 176.257 174.600 -0.089 0.000 1.027 429 S CA 1.830 60.065 58.200 0.058 0.000 0.991 429 S CB -0.540 62.683 63.200 0.039 0.000 0.823 429 S HN 0.703 nan 8.310 nan 0.000 0.469 430 H N 0.004 118.986 119.070 -0.146 0.000 2.423 430 H HA 0.090 4.810 4.556 0.273 0.000 0.297 430 H C 1.868 177.039 175.328 -0.263 0.000 1.075 430 H CA 1.414 57.301 56.048 -0.269 0.000 1.342 430 H CB -0.187 29.247 29.762 -0.547 0.000 1.395 430 H HN 0.268 nan 8.280 nan 0.000 0.530 431 L N -0.430 120.706 121.223 -0.146 0.000 2.056 431 L HA -0.123 4.381 4.340 0.273 0.000 0.207 431 L C 1.966 178.613 176.870 -0.371 0.000 1.078 431 L CA 1.337 56.032 54.840 -0.242 0.000 0.749 431 L CB -0.674 41.246 42.059 -0.232 0.000 0.901 431 L HN 0.202 nan 8.230 nan 0.000 0.433 432 F N 0.540 120.154 119.950 -0.560 0.000 2.134 432 F HA -0.220 4.423 4.527 0.193 0.000 0.299 432 F C 2.151 177.615 175.800 -0.560 0.000 1.097 432 F CA 1.858 59.497 58.000 -0.602 0.000 1.264 432 F CB -0.427 38.260 39.000 -0.522 0.000 1.001 432 F HN 0.208 nan 8.300 nan 0.000 0.479 433 D N -1.133 119.011 120.400 -0.428 0.000 2.149 433 D HA -0.233 4.570 4.640 0.273 0.000 0.198 433 D C 2.312 178.329 176.300 -0.472 0.000 0.990 433 D CA 1.550 55.280 54.000 -0.451 0.000 0.839 433 D CB -0.759 39.925 40.800 -0.194 0.000 0.948 433 D HN 0.465 nan 8.370 nan 0.000 0.460 434 H N 0.716 119.508 119.070 -0.463 0.000 2.357 434 H HA -0.050 4.668 4.556 0.269 0.000 0.301 434 H C 2.000 177.036 175.328 -0.487 0.000 1.082 434 H CA 0.999 56.793 56.048 -0.424 0.000 1.342 434 H CB 0.048 29.575 29.762 -0.392 0.000 1.389 434 H HN -0.056 nan 8.280 nan 0.000 0.511 435 V N 0.699 120.262 119.914 -0.586 0.000 2.343 435 V HA -0.211 4.072 4.120 0.273 0.000 0.247 435 V C 2.925 178.601 176.094 -0.698 0.000 1.051 435 V CA 1.385 63.290 62.300 -0.658 0.000 1.036 435 V CB -0.475 30.858 31.823 -0.817 0.000 0.654 435 V HN 0.243 nan 8.190 nan 0.000 0.451 436 V N 0.665 120.049 119.914 -0.883 0.000 2.379 436 V HA -0.237 4.047 4.120 0.273 0.000 0.245 436 V C 2.329 178.041 176.094 -0.637 0.000 1.044 436 V CA 2.199 64.004 62.300 -0.826 0.000 1.036 436 V CB -0.922 30.205 31.823 -1.160 0.000 0.664 436 V HN 0.702 nan 8.190 nan 0.000 0.453 437 N N 0.326 118.670 118.700 -0.594 0.000 2.223 437 N HA -0.238 4.665 4.740 0.273 0.000 0.185 437 N C 2.038 177.251 175.510 -0.495 0.000 1.016 437 N CA 1.256 54.018 53.050 -0.480 0.000 0.863 437 N CB 0.019 38.270 38.487 -0.393 0.000 0.983 437 N HN 0.218 nan 8.380 nan 0.000 0.429 438 R N 0.738 120.897 120.500 -0.569 0.000 2.092 438 R HA 0.046 4.550 4.340 0.273 0.000 0.231 438 R C 2.211 178.251 176.300 -0.434 0.000 1.119 438 R CA 0.632 56.435 56.100 -0.496 0.000 0.970 438 R CB -0.763 29.226 30.300 -0.519 0.000 0.864 438 R HN 0.074 nan 8.270 nan 0.000 0.440 439 V N 1.337 120.986 119.914 -0.442 0.000 2.343 439 V HA -0.245 4.039 4.120 0.273 0.000 0.247 439 V C 1.608 177.303 176.094 -0.665 0.000 1.051 439 V CA 1.964 64.018 62.300 -0.411 0.000 1.036 439 V CB -0.556 31.095 31.823 -0.287 0.000 0.654 439 V HN 0.354 nan 8.190 nan 0.000 0.451 440 N N 0.056 118.375 118.700 -0.634 0.000 2.364 440 N HA -0.159 4.744 4.740 0.273 0.000 0.183 440 N C 1.786 176.880 175.510 -0.693 0.000 1.022 440 N CA 0.944 53.564 53.050 -0.716 0.000 0.883 440 N CB -0.280 37.873 38.487 -0.556 0.000 0.965 440 N HN 0.606 nan 8.380 nan 0.000 0.438 441 Q N -0.813 118.661 119.800 -0.543 0.000 2.482 441 Q HA 0.088 4.591 4.340 0.273 0.000 0.209 441 Q C 1.086 176.836 176.000 -0.418 0.000 0.961 441 Q CA 0.291 55.853 55.803 -0.402 0.000 0.945 441 Q CB 0.088 28.642 28.738 -0.307 0.000 1.012 441 Q HN 0.385 nan 8.270 nan 0.000 0.515 442 C N -0.019 118.892 119.300 -0.649 0.000 2.618 442 C HA 0.094 4.718 4.460 0.273 0.000 0.264 442 C C 0.328 175.136 174.990 -0.304 0.000 1.334 442 C CA -0.294 58.444 59.018 -0.466 0.000 1.731 442 C CB -0.916 26.589 27.740 -0.393 0.000 1.852 442 C HN 0.486 nan 8.230 nan 0.000 0.566 443 F N -0.707 119.227 119.950 -0.026 0.000 2.526 443 F HA 0.383 5.063 4.527 0.255 0.000 0.379 443 F C -2.785 173.069 175.800 0.089 0.000 1.506 443 F CA -2.632 55.385 58.000 0.028 0.000 1.076 443 F CB -1.194 37.828 39.000 0.036 0.000 1.746 443 F HN -0.165 nan 8.300 nan 0.000 0.520 444 P HA 0.525 nan 4.420 nan 0.000 0.276 444 P C -0.851 176.515 177.300 0.110 0.000 1.261 444 P CA -0.066 63.017 63.100 -0.029 0.000 0.800 444 P CB 1.571 33.182 31.700 -0.147 0.000 1.066 445 F N -2.648 117.293 119.950 -0.015 0.000 2.628 445 F HA 0.453 5.141 4.527 0.269 0.000 0.309 445 F C 1.044 176.815 175.800 -0.049 0.000 1.108 445 F CA -1.082 56.903 58.000 -0.025 0.000 0.971 445 F CB 0.740 39.727 39.000 -0.022 0.000 1.279 445 F HN 0.400 nan 8.300 nan 0.000 0.441 446 E N 0.691 120.945 120.200 0.090 0.000 2.072 446 E HA 0.118 4.632 4.350 0.273 0.000 0.190 446 E C 0.291 176.951 176.600 0.100 0.000 0.982 446 E CA 1.436 57.843 56.400 0.012 0.000 0.803 446 E CB 0.083 29.793 29.700 0.015 0.000 0.755 446 E HN 0.660 nan 8.360 nan 0.000 0.453 447 T N -0.560 114.143 114.554 0.247 0.000 2.896 447 T HA 0.538 5.052 4.350 0.273 0.000 0.297 447 T C -1.593 173.242 174.700 0.226 0.000 1.108 447 T CA -0.186 62.042 62.100 0.213 0.000 1.004 447 T CB 1.795 70.716 68.868 0.087 0.000 1.159 447 T HN 0.354 nan 8.240 nan 0.000 0.499 448 S N 1.370 117.156 115.700 0.143 0.000 2.537 448 S HA 0.513 5.147 4.470 0.273 0.000 0.271 448 S C 0.398 174.987 174.600 -0.017 0.000 1.148 448 S CA -0.564 57.659 58.200 0.038 0.000 0.868 448 S CB 1.525 64.751 63.200 0.045 0.000 1.115 448 S HN 0.547 nan 8.310 nan 0.000 0.461 449 S N 0.504 116.080 115.700 -0.206 0.000 2.427 449 S HA 0.331 4.964 4.470 0.273 0.000 0.224 449 S C -0.455 173.804 174.600 -0.569 0.000 1.047 449 S CA 0.561 58.425 58.200 -0.559 0.000 0.953 449 S CB -0.451 62.096 63.200 -1.089 0.000 0.824 449 S HN 0.808 nan 8.310 nan 0.000 0.502 450 Y N -0.150 120.206 120.300 0.094 0.000 2.670 450 Y HA 0.651 5.364 4.550 0.271 0.000 0.334 450 Y C -0.815 175.136 175.900 0.086 0.000 1.185 450 Y CA -2.314 55.791 58.100 0.008 0.000 1.053 450 Y CB 0.818 39.193 38.460 -0.142 0.000 1.298 450 Y HN 0.124 nan 8.280 nan 0.000 0.459 451 F N -0.863 119.155 119.950 0.114 0.000 2.613 451 F HA 0.904 5.598 4.527 0.278 0.000 0.314 451 F C -1.724 174.117 175.800 0.070 0.000 1.075 451 F CA -1.645 56.327 58.000 -0.046 0.000 0.945 451 F CB 1.552 40.207 39.000 -0.576 0.000 1.310 451 F HN 0.307 nan 8.300 nan 0.000 0.467 452 I N 1.925 122.723 120.570 0.380 0.000 2.389 452 I HA 0.628 4.962 4.170 0.273 0.000 0.288 452 I C -0.026 176.232 176.117 0.234 0.000 0.999 452 I CA -0.768 60.691 61.300 0.265 0.000 1.129 452 I CB 1.665 39.827 38.000 0.271 0.000 1.288 452 I HN 0.952 nan 8.210 nan 0.000 0.444 453 G N 5.322 114.215 108.800 0.154 0.000 2.495 453 G HA2 0.643 4.766 3.960 0.273 0.000 0.318 453 G HA3 0.643 4.766 3.960 0.273 0.000 0.318 453 G C -1.165 173.528 174.900 -0.345 0.000 1.257 453 G CA -0.425 44.413 45.100 -0.436 0.000 0.962 453 G HN 0.295 nan 8.290 nan 0.000 0.483 454 V N 2.380 122.071 119.914 -0.371 0.000 2.398 454 V HA 0.447 4.730 4.120 0.273 0.000 0.286 454 V C -0.315 175.794 176.094 0.025 0.000 1.026 454 V CA -0.781 61.467 62.300 -0.087 0.000 0.868 454 V CB 1.313 33.108 31.823 -0.046 0.000 0.982 454 V HN 0.662 nan 8.190 nan 0.000 0.443 455 L N 4.351 125.707 121.223 0.222 0.000 2.295 455 L HA 0.692 5.196 4.340 0.273 0.000 0.285 455 L C -0.660 176.280 176.870 0.116 0.000 1.035 455 L CA 0.252 55.269 54.840 0.296 0.000 0.806 455 L CB 1.506 43.718 42.059 0.254 0.000 1.214 455 L HN 0.776 nan 8.230 nan 0.000 0.426 456 D N 4.927 125.376 120.400 0.081 0.000 2.549 456 D HA 0.564 5.367 4.640 0.273 0.000 0.251 456 D C -1.371 174.915 176.300 -0.022 0.000 1.153 456 D CA -0.145 53.861 54.000 0.010 0.000 0.861 456 D CB 1.082 41.864 40.800 -0.030 0.000 1.207 456 D HN 0.595 nan 8.370 nan 0.000 0.543 457 I N 2.398 122.964 120.570 -0.007 0.000 2.752 457 I HA 0.597 4.930 4.170 0.273 0.000 0.295 457 I C -0.711 175.424 176.117 0.029 0.000 1.219 457 I CA -0.960 60.337 61.300 -0.004 0.000 1.030 457 I CB 1.760 39.762 38.000 0.003 0.000 1.259 457 I HN 0.576 nan 8.210 nan 0.000 0.423 458 A N 4.697 127.544 122.820 0.045 0.000 2.598 458 A HA 0.392 4.875 4.320 0.273 0.000 0.239 458 A C 0.578 178.222 177.584 0.100 0.000 1.032 458 A CA 0.933 53.013 52.037 0.072 0.000 0.760 458 A CB -0.501 18.553 19.000 0.090 0.000 0.946 458 A HN 0.932 nan 8.150 nan 0.000 0.512 459 G N 0.595 109.460 108.800 0.109 0.000 2.557 459 G HA2 0.461 4.584 3.960 0.273 0.000 0.292 459 G HA3 0.461 4.584 3.960 0.273 0.000 0.292 459 G C -0.109 174.912 174.900 0.202 0.000 1.237 459 G CA -0.743 44.459 45.100 0.169 0.000 0.978 459 G HN 0.840 nan 8.290 nan 0.000 0.498 460 F N 0.932 120.968 119.950 0.143 0.000 2.629 460 F HA 0.286 4.976 4.527 0.272 0.000 0.377 460 F C 0.755 176.573 175.800 0.029 0.000 1.101 460 F CA 0.337 58.397 58.000 0.100 0.000 1.301 460 F CB 0.473 39.540 39.000 0.111 0.000 1.062 460 F HN 0.610 nan 8.300 nan 0.000 0.583 461 E N 5.679 125.437 120.200 -0.737 0.000 2.372 461 E HA 0.474 4.987 4.350 0.273 0.000 0.279 461 E C -2.061 174.150 176.600 -0.648 0.000 0.946 461 E CA -0.997 55.055 56.400 -0.580 0.000 0.769 461 E CB 1.894 31.435 29.700 -0.265 0.000 1.230 461 E HN 0.635 nan 8.360 nan 0.000 0.442 462 Y N 0.190 120.060 120.300 -0.716 0.000 2.588 462 Y HA 0.796 5.510 4.550 0.273 0.000 0.343 462 Y C -1.661 173.831 175.900 -0.681 0.000 1.065 462 Y CA -1.281 56.520 58.100 -0.499 0.000 1.038 462 Y CB 1.220 39.480 38.460 -0.334 0.000 1.297 462 Y HN 0.478 nan 8.280 nan 0.000 0.467 463 F N -0.083 119.880 119.950 0.022 0.000 2.814 463 F HA 0.483 5.172 4.527 0.270 0.000 0.353 463 F C 1.321 177.145 175.800 0.040 0.000 1.177 463 F CA -1.132 56.861 58.000 -0.013 0.000 1.036 463 F CB 1.307 40.303 39.000 -0.006 0.000 1.455 463 F HN 0.617 nan 8.300 nan 0.000 0.520 464 E N -0.772 119.526 120.200 0.162 0.000 2.077 464 E HA -0.118 4.396 4.350 0.273 0.000 0.193 464 E C -0.264 176.199 176.600 -0.228 0.000 0.989 464 E CA 1.143 57.484 56.400 -0.098 0.000 0.800 464 E CB -0.046 29.492 29.700 -0.269 0.000 0.746 464 E HN 0.280 nan 8.360 nan 0.000 0.452 465 H N 0.217 119.406 119.070 0.198 0.000 2.505 465 H HA 0.339 5.058 4.556 0.272 0.000 0.338 465 H C -0.552 174.870 175.328 0.157 0.000 1.057 465 H CA -0.528 55.611 56.048 0.151 0.000 1.202 465 H CB 0.956 30.771 29.762 0.089 0.000 1.466 465 H HN -0.004 nan 8.280 nan 0.000 0.499 466 N N 1.621 120.471 118.700 0.250 0.000 2.442 466 N HA 0.156 5.060 4.740 0.273 0.000 0.274 466 N C -0.166 175.585 175.510 0.402 0.000 1.002 466 N CA -0.192 53.015 53.050 0.262 0.000 0.910 466 N CB 2.791 41.311 38.487 0.055 0.000 1.244 466 N HN 0.446 nan 8.380 nan 0.000 0.492 467 S N 0.754 116.691 115.700 0.395 0.000 2.667 467 S HA 0.370 5.004 4.470 0.273 0.000 0.292 467 S C 1.000 175.876 174.600 0.460 0.000 1.108 467 S CA -0.445 58.049 58.200 0.490 0.000 0.992 467 S CB 0.348 63.721 63.200 0.287 0.000 1.269 467 S HN 0.406 nan 8.310 nan 0.000 0.528 468 F N 1.763 121.643 119.950 -0.116 0.000 2.216 468 F HA 0.021 4.712 4.527 0.273 0.000 0.300 468 F C 1.938 177.639 175.800 -0.165 0.000 1.085 468 F CA 1.893 59.534 58.000 -0.597 0.000 1.326 468 F CB -0.508 37.964 39.000 -0.880 0.000 1.027 468 F HN 0.572 nan 8.300 nan 0.000 0.497 469 E N 0.029 120.203 120.200 -0.044 0.000 2.051 469 E HA -0.239 4.274 4.350 0.273 0.000 0.192 469 E C 2.093 178.665 176.600 -0.048 0.000 0.991 469 E CA 1.593 57.937 56.400 -0.093 0.000 0.799 469 E CB -0.397 29.296 29.700 -0.011 0.000 0.748 469 E HN 0.371 nan 8.360 nan 0.000 0.449 470 Q N -0.527 119.346 119.800 0.122 0.000 2.124 470 Q HA -0.076 4.427 4.340 0.273 0.000 0.202 470 Q C 1.877 178.048 176.000 0.285 0.000 0.977 470 Q CA 1.109 57.053 55.803 0.236 0.000 0.850 470 Q CB -0.394 28.569 28.738 0.374 0.000 0.901 470 Q HN 0.351 nan 8.270 nan 0.000 0.429 471 F N -0.232 119.790 119.950 0.120 0.000 2.102 471 F HA -0.286 4.404 4.527 0.272 0.000 0.298 471 F C 1.851 177.540 175.800 -0.185 0.000 1.105 471 F CA 1.263 59.203 58.000 -0.100 0.000 1.239 471 F CB -0.258 38.544 39.000 -0.330 0.000 0.991 471 F HN 0.076 nan 8.300 nan 0.000 0.474 472 C N 0.745 119.787 119.300 -0.430 0.000 2.436 472 C HA -0.171 4.452 4.460 0.273 0.000 0.277 472 C C 2.703 177.467 174.990 -0.377 0.000 1.241 472 C CA 1.202 59.748 59.018 -0.787 0.000 1.721 472 C CB -1.307 25.571 27.740 -1.436 0.000 2.043 472 C HN 0.539 nan 8.230 nan 0.000 0.472 473 I N 1.648 122.126 120.570 -0.154 0.000 2.151 473 I HA -0.236 4.097 4.170 0.273 0.000 0.243 473 I C 2.109 178.287 176.117 0.102 0.000 1.080 473 I CA 1.595 62.933 61.300 0.064 0.000 1.339 473 I CB -0.501 37.543 38.000 0.072 0.000 1.039 473 I HN 0.407 nan 8.210 nan 0.000 0.409 474 N N -0.340 118.396 118.700 0.061 0.000 2.331 474 N HA -0.203 4.700 4.740 0.273 0.000 0.180 474 N C 1.702 177.340 175.510 0.214 0.000 1.019 474 N CA 0.954 54.063 53.050 0.098 0.000 0.881 474 N CB -0.393 38.026 38.487 -0.113 0.000 0.972 474 N HN 0.427 nan 8.380 nan 0.000 0.435 475 Y N 1.326 121.612 120.300 -0.023 0.000 2.184 475 Y HA -0.141 4.573 4.550 0.274 0.000 0.290 475 Y C 2.582 178.569 175.900 0.145 0.000 1.129 475 Y CA 0.776 58.876 58.100 -0.001 0.000 1.144 475 Y CB -1.036 37.265 38.460 -0.265 0.000 0.995 475 Y HN 0.159 nan 8.280 nan 0.000 0.513 476 C N 1.878 121.157 119.300 -0.035 0.000 2.393 476 C HA -0.243 4.380 4.460 0.273 0.000 0.276 476 C C 2.570 177.558 174.990 -0.004 0.000 1.215 476 C CA 2.214 61.192 59.018 -0.067 0.000 1.743 476 C CB -1.545 26.287 27.740 0.153 0.000 2.044 476 C HN 0.707 nan 8.230 nan 0.000 0.464 477 N N 0.294 119.080 118.700 0.142 0.000 2.309 477 N HA -0.126 4.777 4.740 0.273 0.000 0.182 477 N C 1.675 177.295 175.510 0.182 0.000 1.018 477 N CA 1.324 54.496 53.050 0.204 0.000 0.876 477 N CB -0.437 38.290 38.487 0.401 0.000 0.972 477 N HN 0.685 nan 8.380 nan 0.000 0.434 478 E N 1.765 122.147 120.200 0.304 0.000 2.051 478 E HA -0.091 4.423 4.350 0.273 0.000 0.192 478 E C 1.675 178.336 176.600 0.102 0.000 0.991 478 E CA 1.335 57.922 56.400 0.311 0.000 0.799 478 E CB 0.115 30.093 29.700 0.462 0.000 0.748 478 E HN 0.208 nan 8.360 nan 0.000 0.449 479 K N -0.231 120.203 120.400 0.058 0.000 2.097 479 K HA -0.054 4.429 4.320 0.273 0.000 0.205 479 K C 2.223 178.836 176.600 0.022 0.000 1.050 479 K CA 1.068 57.367 56.287 0.019 0.000 0.938 479 K CB -0.149 32.304 32.500 -0.078 0.000 0.718 479 K HN 0.213 nan 8.250 nan 0.000 0.442 480 L N 0.811 122.025 121.223 -0.015 0.000 2.141 480 L HA -0.194 4.309 4.340 0.273 0.000 0.209 480 L C 2.643 179.556 176.870 0.071 0.000 1.094 480 L CA 0.935 55.789 54.840 0.024 0.000 0.763 480 L CB -0.262 41.786 42.059 -0.018 0.000 0.908 480 L HN 0.169 nan 8.230 nan 0.000 0.437 481 Q N 0.335 120.065 119.800 -0.117 0.000 2.123 481 Q HA -0.242 4.262 4.340 0.273 0.000 0.199 481 Q C 2.136 178.103 176.000 -0.056 0.000 0.966 481 Q CA 1.616 57.271 55.803 -0.246 0.000 0.845 481 Q CB -0.170 27.977 28.738 -0.985 0.000 0.907 481 Q HN 0.441 nan 8.270 nan 0.000 0.439 482 Q N -1.065 118.740 119.800 0.008 0.000 2.096 482 Q HA -0.205 4.298 4.340 0.273 0.000 0.204 482 Q C 1.862 177.934 176.000 0.120 0.000 0.982 482 Q CA 1.647 57.499 55.803 0.081 0.000 0.850 482 Q CB -0.352 28.451 28.738 0.109 0.000 0.901 482 Q HN 0.513 nan 8.270 nan 0.000 0.422 483 F N 0.357 120.330 119.950 0.038 0.000 2.134 483 F HA -0.197 4.495 4.527 0.275 0.000 0.299 483 F C 1.889 177.776 175.800 0.144 0.000 1.097 483 F CA 1.611 59.659 58.000 0.080 0.000 1.264 483 F CB -0.502 38.547 39.000 0.082 0.000 1.001 483 F HN 0.202 nan 8.300 nan 0.000 0.479 484 F N 1.069 121.019 119.950 -0.001 0.000 2.095 484 F HA -0.319 4.374 4.527 0.276 0.000 0.298 484 F C 2.078 177.608 175.800 -0.451 0.000 1.104 484 F CA 2.040 59.807 58.000 -0.388 0.000 1.232 484 F CB -0.475 38.291 39.000 -0.390 0.000 0.987 484 F HN 0.060 nan 8.300 nan 0.000 0.475 485 N N -0.021 118.510 118.700 -0.281 0.000 2.142 485 N HA -0.184 4.720 4.740 0.273 0.000 0.186 485 N C 1.501 176.781 175.510 -0.383 0.000 1.023 485 N CA 1.252 54.082 53.050 -0.366 0.000 0.852 485 N CB -0.183 38.227 38.487 -0.129 0.000 0.998 485 N HN 0.384 nan 8.380 nan 0.000 0.424 486 E N 0.647 120.664 120.200 -0.305 0.000 2.085 486 E HA -0.153 4.360 4.350 0.273 0.000 0.194 486 E C 1.885 178.273 176.600 -0.353 0.000 0.994 486 E CA 0.924 57.111 56.400 -0.354 0.000 0.801 486 E CB 0.144 29.706 29.700 -0.229 0.000 0.743 486 E HN 0.269 nan 8.360 nan 0.000 0.453 487 R N 0.222 120.509 120.500 -0.355 0.000 2.119 487 R HA -0.018 4.486 4.340 0.273 0.000 0.222 487 R C 2.221 178.407 176.300 -0.190 0.000 1.088 487 R CA 0.605 56.551 56.100 -0.256 0.000 0.984 487 R CB -0.368 29.804 30.300 -0.213 0.000 0.884 487 R HN 0.230 nan 8.270 nan 0.000 0.447 488 I N 1.149 121.557 120.570 -0.270 0.000 2.252 488 I HA -0.203 4.131 4.170 0.273 0.000 0.245 488 I C 2.379 178.336 176.117 -0.266 0.000 1.102 488 I CA 0.715 61.856 61.300 -0.265 0.000 1.385 488 I CB -1.110 36.639 38.000 -0.418 0.000 1.064 488 I HN 0.068 nan 8.210 nan 0.000 0.414 489 L N 1.381 122.405 121.223 -0.331 0.000 2.043 489 L HA -0.235 4.268 4.340 0.273 0.000 0.212 489 L C 2.554 179.257 176.870 -0.279 0.000 1.075 489 L CA 2.074 56.714 54.840 -0.334 0.000 0.752 489 L CB -0.789 40.970 42.059 -0.500 0.000 0.891 489 L HN 0.172 nan 8.230 nan 0.000 0.432 490 K N -0.734 119.513 120.400 -0.256 0.000 2.062 490 K HA -0.182 4.301 4.320 0.273 0.000 0.205 490 K C 2.080 178.562 176.600 -0.198 0.000 1.051 490 K CA 1.513 57.676 56.287 -0.207 0.000 0.941 490 K CB -0.196 32.197 32.500 -0.179 0.000 0.719 490 K HN 0.458 nan 8.250 nan 0.000 0.440 491 E N 0.193 120.285 120.200 -0.179 0.000 2.085 491 E HA -0.194 4.319 4.350 0.273 0.000 0.194 491 E C 1.960 178.415 176.600 -0.241 0.000 0.994 491 E CA 1.179 57.483 56.400 -0.160 0.000 0.801 491 E CB 0.165 29.804 29.700 -0.102 0.000 0.743 491 E HN 0.314 nan 8.360 nan 0.000 0.453 492 E N 0.514 120.522 120.200 -0.320 0.000 2.028 492 E HA -0.187 4.327 4.350 0.273 0.000 0.191 492 E C 2.127 178.112 176.600 -1.025 0.000 0.988 492 E CA 0.883 56.932 56.400 -0.585 0.000 0.799 492 E CB -0.242 29.198 29.700 -0.434 0.000 0.755 492 E HN 0.335 nan 8.360 nan 0.000 0.447 493 Q N 0.645 120.082 119.800 -0.606 0.000 2.112 493 Q HA -0.205 4.298 4.340 0.273 0.000 0.206 493 Q C 2.086 177.916 176.000 -0.284 0.000 0.987 493 Q CA 1.650 57.227 55.803 -0.377 0.000 0.858 493 Q CB -0.094 28.537 28.738 -0.179 0.000 0.905 493 Q HN 0.330 nan 8.270 nan 0.000 0.420 494 E N -0.002 120.048 120.200 -0.251 0.000 2.106 494 E HA -0.179 4.334 4.350 0.273 0.000 0.192 494 E C 1.887 178.387 176.600 -0.166 0.000 0.984 494 E CA 0.661 56.960 56.400 -0.168 0.000 0.806 494 E CB -0.032 29.585 29.700 -0.138 0.000 0.750 494 E HN 0.190 nan 8.360 nan 0.000 0.458 495 L N 0.234 121.316 121.223 -0.235 0.000 2.046 495 L HA -0.189 4.314 4.340 0.273 0.000 0.208 495 L C 1.824 178.630 176.870 -0.107 0.000 1.077 495 L CA 1.668 56.419 54.840 -0.148 0.000 0.747 495 L CB -0.397 41.597 42.059 -0.108 0.000 0.896 495 L HN 0.103 nan 8.230 nan 0.000 0.432 496 Y N -0.577 119.598 120.300 -0.209 0.000 2.242 496 Y HA -0.143 4.571 4.550 0.273 0.000 0.291 496 Y C 2.762 178.516 175.900 -0.243 0.000 1.137 496 Y CA 1.124 59.026 58.100 -0.330 0.000 1.181 496 Y CB -1.130 37.217 38.460 -0.188 0.000 0.989 496 Y HN 0.308 nan 8.280 nan 0.000 0.527 497 Q N 0.464 120.257 119.800 -0.012 0.000 2.049 497 Q HA -0.116 4.388 4.340 0.273 0.000 0.198 497 Q C 2.370 178.334 176.000 -0.060 0.000 0.971 497 Q CA 1.449 57.229 55.803 -0.038 0.000 0.833 497 Q CB -0.233 28.482 28.738 -0.038 0.000 0.896 497 Q HN 0.248 nan 8.270 nan 0.000 0.434 498 K N 0.215 120.575 120.400 -0.067 0.000 2.160 498 K HA -0.187 4.296 4.320 0.273 0.000 0.206 498 K C 1.001 177.563 176.600 -0.062 0.000 1.047 498 K CA 1.245 57.496 56.287 -0.060 0.000 0.930 498 K CB 0.164 32.630 32.500 -0.058 0.000 0.720 498 K HN 0.191 nan 8.250 nan 0.000 0.450 499 E N -0.998 119.143 120.200 -0.099 0.000 2.479 499 E HA 0.021 4.534 4.350 0.273 0.000 0.193 499 E C 0.705 177.231 176.600 -0.124 0.000 1.049 499 E CA 0.643 56.973 56.400 -0.117 0.000 0.870 499 E CB 0.741 30.307 29.700 -0.223 0.000 0.944 499 E HN 0.551 nan 8.360 nan 0.000 0.492 500 G N 1.780 110.512 108.800 -0.113 0.000 2.149 500 G HA2 -0.264 3.860 3.960 0.273 0.000 0.235 500 G HA3 -0.264 3.860 3.960 0.273 0.000 0.235 500 G C 0.845 175.671 174.900 -0.123 0.000 1.018 500 G CA 0.402 45.449 45.100 -0.088 0.000 0.728 500 G HN 0.301 nan 8.290 nan 0.000 0.508 501 L N -0.198 120.904 121.223 -0.202 0.000 2.552 501 L HA 0.362 4.865 4.340 0.273 0.000 0.227 501 L C 2.050 178.835 176.870 -0.141 0.000 1.146 501 L CA 0.777 55.453 54.840 -0.273 0.000 0.858 501 L CB -0.870 40.858 42.059 -0.551 0.000 0.969 501 L HN 1.214 nan 8.230 nan 0.000 0.451 502 G N 0.165 108.920 108.800 -0.074 0.000 2.488 502 G HA2 -0.249 3.874 3.960 0.273 0.000 0.237 502 G HA3 -0.249 3.874 3.960 0.273 0.000 0.237 502 G C -0.340 174.565 174.900 0.008 0.000 1.209 502 G CA -0.403 44.680 45.100 -0.028 0.000 0.929 502 G HN -0.094 nan 8.290 nan 0.000 0.578 503 V N 2.779 122.706 119.914 0.022 0.000 2.408 503 V HA 0.539 4.823 4.120 0.273 0.000 0.267 503 V C -0.160 175.974 176.094 0.066 0.000 1.047 503 V CA -0.269 62.054 62.300 0.039 0.000 0.937 503 V CB 0.947 32.786 31.823 0.027 0.000 0.999 503 V HN 0.635 nan 8.190 nan 0.000 0.472 504 N N 4.298 123.052 118.700 0.090 0.000 2.664 504 N HA 0.229 5.133 4.740 0.273 0.000 0.268 504 N C -0.855 174.717 175.510 0.103 0.000 1.222 504 N CA -0.514 52.603 53.050 0.112 0.000 0.805 504 N CB 1.875 40.490 38.487 0.213 0.000 1.399 504 N HN 0.659 nan 8.380 nan 0.000 0.547 505 E N 0.905 121.141 120.200 0.060 0.000 2.338 505 E HA 0.244 4.758 4.350 0.273 0.000 0.272 505 E C 0.279 176.911 176.600 0.055 0.000 1.029 505 E CA -0.540 55.894 56.400 0.057 0.000 0.872 505 E CB 1.748 31.477 29.700 0.047 0.000 1.015 505 E HN 0.343 nan 8.360 nan 0.000 0.417 506 V N 2.163 122.119 119.914 0.070 0.000 2.435 506 V HA 0.197 4.480 4.120 0.273 0.000 0.290 506 V C -0.195 175.975 176.094 0.127 0.000 1.030 506 V CA -0.749 61.594 62.300 0.073 0.000 0.881 506 V CB 1.359 33.227 31.823 0.074 0.000 0.983 506 V HN 0.799 nan 8.190 nan 0.000 0.445 507 H N 5.738 124.824 119.070 0.027 0.000 3.026 507 H HA 0.170 4.890 4.556 0.273 0.000 0.289 507 H C -1.569 173.823 175.328 0.108 0.000 1.022 507 H CA 0.090 56.165 56.048 0.046 0.000 1.477 507 H CB 0.337 30.107 29.762 0.013 0.000 1.510 507 H HN 0.902 nan 8.280 nan 0.000 0.535 508 Y N 5.833 125.967 120.300 -0.276 0.000 2.338 508 Y HA 0.260 4.974 4.550 0.272 0.000 0.328 508 Y C -1.200 174.481 175.900 -0.366 0.000 0.965 508 Y CA -0.916 57.015 58.100 -0.283 0.000 1.208 508 Y CB 1.061 39.433 38.460 -0.146 0.000 1.132 508 Y HN 0.430 nan 8.280 nan 0.000 0.469 509 V N 7.546 127.069 119.914 -0.651 0.000 2.339 509 V HA 0.147 4.430 4.120 0.273 0.000 0.261 509 V C -0.197 175.429 176.094 -0.780 0.000 1.058 509 V CA -0.182 61.743 62.300 -0.625 0.000 0.897 509 V CB 0.158 31.734 31.823 -0.412 0.000 1.052 509 V HN 0.829 nan 8.190 nan 0.000 0.480 510 D N 4.585 124.441 120.400 -0.906 0.000 2.368 510 D HA 0.061 4.865 4.640 0.273 0.000 0.240 510 D C 0.960 177.051 176.300 -0.349 0.000 1.169 510 D CA 0.065 53.598 54.000 -0.778 0.000 0.906 510 D CB 0.953 41.455 40.800 -0.496 0.000 1.187 510 D HN 0.768 nan 8.370 nan 0.000 0.435 511 N N 1.853 120.451 118.700 -0.171 0.000 2.238 511 N HA -0.072 4.831 4.740 0.273 0.000 0.222 511 N C 0.973 176.488 175.510 0.008 0.000 1.133 511 N CA -0.109 52.911 53.050 -0.050 0.000 0.854 511 N CB 0.385 38.893 38.487 0.035 0.000 1.041 511 N HN 0.229 nan 8.380 nan 0.000 0.510 512 Q N 1.908 121.701 119.800 -0.011 0.000 2.197 512 Q HA -0.191 4.313 4.340 0.273 0.000 0.207 512 Q C 1.123 177.154 176.000 0.052 0.000 0.984 512 Q CA 2.145 57.968 55.803 0.034 0.000 0.869 512 Q CB -0.199 28.551 28.738 0.021 0.000 0.906 512 Q HN 0.564 nan 8.270 nan 0.000 0.426 513 D N -1.123 119.298 120.400 0.034 0.000 2.144 513 D HA -0.162 4.641 4.640 0.273 0.000 0.200 513 D C 1.920 178.332 176.300 0.186 0.000 0.978 513 D CA 1.148 55.213 54.000 0.109 0.000 0.833 513 D CB -1.212 39.611 40.800 0.038 0.000 0.961 513 D HN 0.357 nan 8.370 nan 0.000 0.470 514 C N 0.266 119.635 119.300 0.115 0.000 2.446 514 C HA 0.029 4.652 4.460 0.273 0.000 0.277 514 C C 2.897 177.906 174.990 0.032 0.000 1.275 514 C CA 0.137 59.183 59.018 0.046 0.000 1.727 514 C CB -1.330 26.448 27.740 0.062 0.000 2.010 514 C HN 0.310 nan 8.230 nan 0.000 0.486 515 I N 0.830 121.457 120.570 0.095 0.000 2.179 515 I HA -0.165 4.169 4.170 0.273 0.000 0.242 515 I C 2.186 178.354 176.117 0.086 0.000 1.088 515 I CA 1.794 63.177 61.300 0.137 0.000 1.357 515 I CB -0.561 37.538 38.000 0.166 0.000 1.051 515 I HN 0.323 nan 8.210 nan 0.000 0.409 516 D N 0.652 121.099 120.400 0.079 0.000 2.144 516 D HA -0.179 4.624 4.640 0.273 0.000 0.199 516 D C 2.028 178.335 176.300 0.012 0.000 0.984 516 D CA 1.086 55.132 54.000 0.077 0.000 0.834 516 D CB -0.329 40.541 40.800 0.117 0.000 0.955 516 D HN 0.177 nan 8.370 nan 0.000 0.465 517 L N 0.771 121.940 121.223 -0.089 0.000 2.042 517 L HA -0.144 4.360 4.340 0.273 0.000 0.210 517 L C 2.044 178.744 176.870 -0.284 0.000 1.076 517 L CA 1.488 56.104 54.840 -0.373 0.000 0.749 517 L CB -0.482 41.196 42.059 -0.635 0.000 0.893 517 L HN -0.008 nan 8.230 nan 0.000 0.432 518 I N -0.546 119.913 120.570 -0.185 0.000 2.235 518 I HA -0.187 4.146 4.170 0.273 0.000 0.241 518 I C 2.246 178.271 176.117 -0.155 0.000 1.085 518 I CA 1.576 62.765 61.300 -0.185 0.000 1.378 518 I CB -0.206 37.564 38.000 -0.383 0.000 1.076 518 I HN 0.450 nan 8.210 nan 0.000 0.415 519 E N 1.232 121.368 120.200 -0.106 0.000 2.511 519 E HA 0.289 4.802 4.350 0.273 0.000 0.209 519 E C 0.766 177.404 176.600 0.063 0.000 0.986 519 E CA -0.219 56.167 56.400 -0.023 0.000 0.974 519 E CB 0.256 30.007 29.700 0.084 0.000 1.030 519 E HN 0.235 nan 8.360 nan 0.000 0.490 520 A N 1.981 124.842 122.820 0.067 0.000 2.483 520 A HA 0.154 4.637 4.320 0.273 0.000 0.238 520 A C 0.125 177.765 177.584 0.092 0.000 1.070 520 A CA -0.246 51.844 52.037 0.089 0.000 0.770 520 A CB 0.162 19.224 19.000 0.103 0.000 1.008 520 A HN 0.257 nan 8.150 nan 0.000 0.497 521 R N 0.919 121.471 120.500 0.087 0.000 2.590 521 R HA 0.312 4.815 4.340 0.273 0.000 0.274 521 R C 0.615 176.963 176.300 0.081 0.000 1.061 521 R CA 0.239 56.388 56.100 0.082 0.000 1.081 521 R CB 0.070 30.414 30.300 0.072 0.000 0.984 521 R HN 0.849 nan 8.270 nan 0.000 0.448 522 L N 0.716 121.986 121.223 0.079 0.000 4.373 522 L HA -0.421 4.083 4.340 0.273 0.000 0.371 522 L C 1.621 178.543 176.870 0.086 0.000 1.222 522 L CA 1.791 56.675 54.840 0.075 0.000 2.643 522 L CB -1.412 40.682 42.059 0.059 0.000 1.094 522 L HN 0.651 nan 8.230 nan 0.000 0.692 523 V N -3.128 116.845 119.914 0.098 0.000 3.644 523 V HA 0.447 4.730 4.120 0.273 0.000 0.267 523 V C 1.301 177.537 176.094 0.237 0.000 1.277 523 V CA 0.656 63.026 62.300 0.118 0.000 1.096 523 V CB -0.040 31.830 31.823 0.078 0.000 0.828 523 V HN 0.361 nan 8.190 nan 0.000 0.446 524 G N -0.013 108.889 108.800 0.169 0.000 2.594 524 G HA2 0.373 4.496 3.960 0.273 0.000 0.243 524 G HA3 0.373 4.496 3.960 0.273 0.000 0.243 524 G C 0.706 175.680 174.900 0.124 0.000 1.229 524 G CA -0.189 44.981 45.100 0.115 0.000 0.843 524 G HN 0.252 nan 8.290 nan 0.000 0.578 525 I N 0.367 120.971 120.570 0.057 0.000 2.264 525 I HA -0.205 4.129 4.170 0.273 0.000 0.248 525 I C 2.585 178.865 176.117 0.271 0.000 1.111 525 I CA 0.947 62.333 61.300 0.143 0.000 1.382 525 I CB -0.159 37.882 38.000 0.069 0.000 1.060 525 I HN 0.416 nan 8.210 nan 0.000 0.418 526 L N 0.010 121.355 121.223 0.204 0.000 2.093 526 L HA -0.224 4.280 4.340 0.273 0.000 0.208 526 L C 2.005 178.961 176.870 0.144 0.000 1.085 526 L CA 1.241 56.193 54.840 0.187 0.000 0.755 526 L CB -0.605 41.545 42.059 0.152 0.000 0.904 526 L HN 0.225 nan 8.230 nan 0.000 0.435 527 D N -0.025 120.457 120.400 0.136 0.000 2.183 527 D HA -0.062 4.741 4.640 0.273 0.000 0.203 527 D C 2.264 178.644 176.300 0.132 0.000 0.969 527 D CA 0.924 54.995 54.000 0.118 0.000 0.842 527 D CB 0.096 40.959 40.800 0.105 0.000 0.957 527 D HN 0.279 nan 8.370 nan 0.000 0.484 528 I N 0.136 120.817 120.570 0.185 0.000 2.439 528 I HA -0.188 4.146 4.170 0.273 0.000 0.251 528 I C 2.130 178.424 176.117 0.295 0.000 1.139 528 I CA 0.335 61.779 61.300 0.240 0.000 1.438 528 I CB 0.010 38.166 38.000 0.260 0.000 1.085 528 I HN 0.030 nan 8.210 nan 0.000 0.427 529 L N 1.029 122.382 121.223 0.216 0.000 2.056 529 L HA -0.202 4.302 4.340 0.273 0.000 0.207 529 L C 1.841 178.657 176.870 -0.089 0.000 1.078 529 L CA 2.016 56.760 54.840 -0.160 0.000 0.749 529 L CB -0.777 41.027 42.059 -0.425 0.000 0.901 529 L HN 0.125 nan 8.230 nan 0.000 0.433 530 D N -0.506 119.890 120.400 -0.007 0.000 2.149 530 D HA -0.238 4.565 4.640 0.273 0.000 0.198 530 D C 2.097 178.413 176.300 0.026 0.000 0.990 530 D CA 1.384 55.390 54.000 0.009 0.000 0.839 530 D CB 0.005 40.831 40.800 0.043 0.000 0.948 530 D HN 0.491 nan 8.370 nan 0.000 0.460 531 E N 0.681 120.919 120.200 0.062 0.000 2.150 531 E HA -0.188 4.325 4.350 0.273 0.000 0.193 531 E C 1.734 178.370 176.600 0.060 0.000 0.985 531 E CA 1.035 57.477 56.400 0.070 0.000 0.814 531 E CB -0.060 29.701 29.700 0.102 0.000 0.752 531 E HN 0.037 nan 8.360 nan 0.000 0.466 532 E N 0.675 120.919 120.200 0.075 0.000 2.110 532 E HA -0.166 4.348 4.350 0.273 0.000 0.193 532 E C 1.436 178.031 176.600 -0.008 0.000 0.988 532 E CA 1.751 58.184 56.400 0.056 0.000 0.804 532 E CB -0.395 29.358 29.700 0.088 0.000 0.745 532 E HN 0.492 nan 8.360 nan 0.000 0.458 533 N N -0.396 118.290 118.700 -0.023 0.000 2.205 533 N HA -0.142 4.761 4.740 0.273 0.000 0.186 533 N C 1.547 177.045 175.510 -0.019 0.000 1.015 533 N CA 1.031 54.064 53.050 -0.029 0.000 0.862 533 N CB -0.069 38.400 38.487 -0.029 0.000 0.986 533 N HN 0.091 nan 8.380 nan 0.000 0.429 534 R N 0.268 120.762 120.500 -0.010 0.000 2.236 534 R HA 0.130 4.633 4.340 0.273 0.000 0.208 534 R C 0.210 176.498 176.300 -0.020 0.000 1.036 534 R CA 0.247 56.342 56.100 -0.007 0.000 1.001 534 R CB 0.027 30.331 30.300 0.006 0.000 0.896 534 R HN 0.192 nan 8.270 nan 0.000 0.464 535 L N 0.977 122.176 121.223 -0.041 0.000 2.439 535 L HA 0.175 4.679 4.340 0.273 0.000 0.261 535 L C -1.351 175.484 176.870 -0.058 0.000 1.153 535 L CA -1.981 52.818 54.840 -0.068 0.000 0.808 535 L CB 0.326 42.298 42.059 -0.145 0.000 1.126 535 L HN -0.207 nan 8.230 nan 0.000 0.460 536 P HA -0.134 nan 4.420 nan 0.000 0.216 536 P C -0.255 177.022 177.300 -0.038 0.000 1.150 536 P CA 1.355 64.432 63.100 -0.038 0.000 0.837 536 P CB 0.227 31.908 31.700 -0.032 0.000 0.786 537 Q N -0.681 119.088 119.800 -0.053 0.000 2.907 537 Q HA 0.297 4.801 4.340 0.273 0.000 0.262 537 Q C -2.523 173.446 176.000 -0.051 0.000 0.997 537 Q CA -1.905 53.873 55.803 -0.040 0.000 0.797 537 Q CB 0.880 29.601 28.738 -0.028 0.000 1.228 537 Q HN 0.138 nan 8.270 nan 0.000 0.466 538 P HA -0.027 nan 4.420 nan 0.000 0.265 538 P C -0.587 176.714 177.300 0.002 0.000 1.193 538 P CA 0.286 63.367 63.100 -0.033 0.000 0.765 538 P CB 0.968 32.651 31.700 -0.029 0.000 0.823 539 S N 1.404 117.131 115.700 0.046 0.000 2.548 539 S HA 0.242 4.876 4.470 0.273 0.000 0.276 539 S C 0.589 175.280 174.600 0.151 0.000 1.129 539 S CA -0.712 57.539 58.200 0.086 0.000 0.931 539 S CB 0.978 64.238 63.200 0.100 0.000 1.068 539 S HN 0.248 nan 8.310 nan 0.000 0.480 540 D N 2.869 123.343 120.400 0.123 0.000 2.144 540 D HA -0.100 4.703 4.640 0.273 0.000 0.199 540 D C 1.515 177.933 176.300 0.198 0.000 0.984 540 D CA 1.562 55.670 54.000 0.179 0.000 0.834 540 D CB 0.092 40.948 40.800 0.095 0.000 0.955 540 D HN 0.608 nan 8.370 nan 0.000 0.465 541 Q N -0.537 119.338 119.800 0.126 0.000 2.083 541 Q HA -0.109 4.394 4.340 0.273 0.000 0.198 541 Q C 2.115 178.172 176.000 0.095 0.000 0.969 541 Q CA 0.821 56.673 55.803 0.082 0.000 0.838 541 Q CB -0.258 28.519 28.738 0.064 0.000 0.900 541 Q HN 0.439 nan 8.270 nan 0.000 0.436 542 H N -0.363 118.748 119.070 0.069 0.000 2.357 542 H HA -0.151 4.568 4.556 0.272 0.000 0.301 542 H C 1.841 177.219 175.328 0.084 0.000 1.082 542 H CA 1.605 57.693 56.048 0.066 0.000 1.342 542 H CB -0.194 29.610 29.762 0.069 0.000 1.389 542 H HN 0.350 nan 8.280 nan 0.000 0.511 543 F N 1.733 121.783 119.950 0.167 0.000 2.126 543 F HA -0.201 4.489 4.527 0.273 0.000 0.299 543 F C 2.232 178.039 175.800 0.013 0.000 1.096 543 F CA 2.177 60.235 58.000 0.098 0.000 1.255 543 F CB -0.803 38.241 39.000 0.072 0.000 0.997 543 F HN 0.036 nan 8.300 nan 0.000 0.479 544 T N -0.357 113.924 114.554 -0.454 0.000 2.857 544 T HA -0.119 4.395 4.350 0.273 0.000 0.266 544 T C 2.158 176.662 174.700 -0.327 0.000 1.048 544 T CA 1.497 63.257 62.100 -0.567 0.000 1.139 544 T CB -0.447 68.267 68.868 -0.258 0.000 0.874 544 T HN 0.291 nan 8.240 nan 0.000 0.455 545 S N 1.602 117.206 115.700 -0.160 0.000 2.368 545 S HA 0.004 4.638 4.470 0.273 0.000 0.224 545 S C 2.605 177.117 174.600 -0.147 0.000 1.029 545 S CA 0.884 59.036 58.200 -0.080 0.000 0.988 545 S CB -0.537 62.596 63.200 -0.112 0.000 0.838 545 S HN 0.583 nan 8.310 nan 0.000 0.462 546 A N 1.121 123.796 122.820 -0.243 0.000 1.978 546 A HA -0.055 4.428 4.320 0.273 0.000 0.220 546 A C 2.306 179.798 177.584 -0.153 0.000 1.170 546 A CA 1.414 53.343 52.037 -0.179 0.000 0.636 546 A CB -0.821 18.114 19.000 -0.108 0.000 0.810 546 A HN 0.348 nan 8.150 nan 0.000 0.448 547 V N -0.490 119.253 119.914 -0.285 0.000 2.307 547 V HA -0.221 4.063 4.120 0.273 0.000 0.245 547 V C 2.418 178.414 176.094 -0.163 0.000 1.045 547 V CA 2.021 64.153 62.300 -0.279 0.000 1.024 547 V CB -0.977 30.479 31.823 -0.612 0.000 0.651 547 V HN 0.653 nan 8.190 nan 0.000 0.449 548 H N -0.467 118.548 119.070 -0.091 0.000 2.457 548 H HA -0.126 4.594 4.556 0.273 0.000 0.294 548 H C 2.289 177.596 175.328 -0.035 0.000 1.064 548 H CA 1.758 57.780 56.048 -0.044 0.000 1.330 548 H CB 0.005 29.738 29.762 -0.047 0.000 1.395 548 H HN 0.516 nan 8.280 nan 0.000 0.541 549 Q N 0.587 120.415 119.800 0.046 0.000 2.062 549 Q HA -0.110 4.393 4.340 0.273 0.000 0.196 549 Q C 2.053 178.027 176.000 -0.043 0.000 0.967 549 Q CA 1.028 56.828 55.803 -0.005 0.000 0.832 549 Q CB 0.278 28.992 28.738 -0.041 0.000 0.899 549 Q HN 0.015 nan 8.270 nan 0.000 0.442 550 K N -0.324 120.015 120.400 -0.103 0.000 2.288 550 K HA -0.090 4.393 4.320 0.273 0.000 0.201 550 K C -0.039 176.322 176.600 -0.399 0.000 1.048 550 K CA 1.260 57.393 56.287 -0.257 0.000 0.956 550 K CB 0.076 32.372 32.500 -0.339 0.000 0.746 550 K HN 0.316 nan 8.250 nan 0.000 0.461 551 H N -1.113 117.965 119.070 0.012 0.000 2.562 551 H HA 0.240 4.960 4.556 0.273 0.000 0.249 551 H C 0.646 176.025 175.328 0.086 0.000 1.195 551 H CA -0.262 55.824 56.048 0.063 0.000 0.938 551 H CB 0.876 30.642 29.762 0.007 0.000 1.891 551 H HN 0.065 nan 8.280 nan 0.000 0.595 552 K N 1.197 121.668 120.400 0.118 0.000 2.144 552 K HA -0.206 4.278 4.320 0.273 0.000 0.209 552 K C -0.017 176.639 176.600 0.093 0.000 1.047 552 K CA 2.311 58.651 56.287 0.089 0.000 0.927 552 K CB 0.179 32.702 32.500 0.039 0.000 0.716 552 K HN 0.498 nan 8.250 nan 0.000 0.454 553 D N -1.615 118.849 120.400 0.107 0.000 2.804 553 D HA 0.032 4.836 4.640 0.273 0.000 0.308 553 D C -0.450 175.922 176.300 0.119 0.000 1.371 553 D CA -0.516 53.533 54.000 0.082 0.000 0.823 553 D CB -0.166 40.660 40.800 0.043 0.000 1.126 553 D HN 0.119 nan 8.370 nan 0.000 0.467 554 H N 0.482 119.612 119.070 0.101 0.000 2.722 554 H HA 0.082 4.801 4.556 0.273 0.000 0.328 554 H C 0.283 175.687 175.328 0.126 0.000 1.067 554 H CA -0.251 55.873 56.048 0.127 0.000 1.447 554 H CB 0.682 30.515 29.762 0.118 0.000 1.469 554 H HN 0.086 nan 8.280 nan 0.000 0.544 555 F N 4.769 124.751 119.950 0.054 0.000 2.192 555 F HA -0.181 4.509 4.527 0.272 0.000 0.301 555 F C 1.823 177.721 175.800 0.162 0.000 1.079 555 F CA 1.516 59.565 58.000 0.081 0.000 1.303 555 F CB 0.296 39.291 39.000 -0.007 0.000 1.024 555 F HN 0.511 nan 8.300 nan 0.000 0.494 556 R N -0.586 120.265 120.500 0.585 0.000 2.397 556 R HA 0.239 4.742 4.340 0.273 0.000 0.241 556 R C -0.513 175.835 176.300 0.080 0.000 0.914 556 R CA -0.149 56.127 56.100 0.294 0.000 1.071 556 R CB 0.241 30.671 30.300 0.216 0.000 1.116 556 R HN 0.187 nan 8.270 nan 0.000 0.524 557 L N 0.548 121.817 121.223 0.077 0.000 2.341 557 L HA 0.449 4.952 4.340 0.273 0.000 0.278 557 L C -0.881 176.041 176.870 0.087 0.000 1.005 557 L CA -0.145 54.705 54.840 0.017 0.000 0.818 557 L CB 2.243 44.257 42.059 -0.075 0.000 1.259 557 L HN -0.154 nan 8.230 nan 0.000 0.418 558 S N 3.720 119.490 115.700 0.117 0.000 2.588 558 S HA 0.647 5.280 4.470 0.273 0.000 0.275 558 S C -0.645 174.047 174.600 0.153 0.000 1.130 558 S CA -0.698 57.559 58.200 0.096 0.000 0.855 558 S CB 1.579 64.805 63.200 0.043 0.000 1.116 558 S HN 0.665 nan 8.310 nan 0.000 0.472 559 I N 0.193 120.770 120.570 0.011 0.000 2.779 559 I HA 0.348 4.681 4.170 0.273 0.000 0.285 559 I C -1.978 174.143 176.117 0.007 0.000 1.134 559 I CA -1.743 59.513 61.300 -0.073 0.000 1.398 559 I CB 0.118 37.956 38.000 -0.270 0.000 1.404 559 I HN 0.344 nan 8.210 nan 0.000 0.587 560 P HA -0.113 nan 4.420 nan 0.000 0.218 560 P C 1.419 178.732 177.300 0.021 0.000 1.148 560 P CA 1.398 64.503 63.100 0.010 0.000 0.822 560 P CB 0.005 31.711 31.700 0.009 0.000 0.784 561 R N 0.128 120.629 120.500 0.002 0.000 2.139 561 R HA -0.095 4.408 4.340 0.273 0.000 0.243 561 R C 1.877 178.183 176.300 0.011 0.000 1.145 561 R CA 1.155 57.259 56.100 0.007 0.000 0.976 561 R CB -0.563 29.727 30.300 -0.016 0.000 0.866 561 R HN 0.160 nan 8.270 nan 0.000 0.449 562 K N 0.586 120.987 120.400 0.002 0.000 2.555 562 K HA 0.045 4.529 4.320 0.273 0.000 0.193 562 K C 0.569 177.179 176.600 0.016 0.000 1.032 562 K CA 0.129 56.417 56.287 0.001 0.000 1.004 562 K CB 0.088 32.581 32.500 -0.010 0.000 0.804 562 K HN 0.038 nan 8.250 nan 0.000 0.496 563 S N 1.117 116.840 115.700 0.038 0.000 2.573 563 S HA 0.020 4.654 4.470 0.273 0.000 0.277 563 S C 0.957 175.592 174.600 0.058 0.000 1.346 563 S CA -0.013 58.227 58.200 0.067 0.000 1.034 563 S CB 0.796 64.090 63.200 0.158 0.000 0.879 563 S HN 0.170 nan 8.310 nan 0.000 0.528 564 K N 2.206 122.639 120.400 0.055 0.000 2.426 564 K HA 0.229 4.713 4.320 0.273 0.000 0.193 564 K C -0.003 176.618 176.600 0.035 0.000 1.028 564 K CA 0.250 56.559 56.287 0.036 0.000 1.047 564 K CB -0.031 32.485 32.500 0.027 0.000 0.821 564 K HN 0.513 nan 8.250 nan 0.000 0.513 565 L N -0.655 120.602 121.223 0.057 0.000 2.387 565 L HA 0.269 4.773 4.340 0.273 0.000 0.266 565 L C 1.348 178.202 176.870 -0.027 0.000 1.059 565 L CA -0.516 54.324 54.840 -0.000 0.000 0.801 565 L CB 1.206 43.236 42.059 -0.048 0.000 1.223 565 L HN -0.043 nan 8.230 nan 0.000 0.456 566 A N 1.700 124.480 122.820 -0.067 0.000 1.854 566 A HA -0.022 4.462 4.320 0.273 0.000 0.214 566 A C 1.881 179.413 177.584 -0.087 0.000 1.192 566 A CA 1.134 53.137 52.037 -0.056 0.000 0.611 566 A CB -0.572 18.398 19.000 -0.050 0.000 0.832 566 A HN 0.733 nan 8.150 nan 0.000 0.442 567 I N -0.175 120.285 120.570 -0.183 0.000 2.700 567 I HA -0.204 4.129 4.170 0.273 0.000 0.261 567 I C 1.478 177.496 176.117 -0.165 0.000 1.219 567 I CA 0.778 61.960 61.300 -0.197 0.000 1.463 567 I CB -0.361 37.485 38.000 -0.258 0.000 1.092 567 I HN 0.365 nan 8.210 nan 0.000 0.452 568 H N 0.860 119.925 119.070 -0.008 0.000 2.539 568 H HA 0.041 4.760 4.556 0.272 0.000 0.267 568 H C 2.038 177.368 175.328 0.003 0.000 0.982 568 H CA 0.418 56.465 56.048 -0.002 0.000 1.146 568 H CB -0.089 29.668 29.762 -0.007 0.000 1.382 568 H HN 0.487 nan 8.280 nan 0.000 0.577 569 R N 0.565 121.115 120.500 0.083 0.000 2.073 569 R HA -0.034 4.469 4.340 0.273 0.000 0.229 569 R C 1.334 177.658 176.300 0.040 0.000 1.120 569 R CA 1.540 57.671 56.100 0.052 0.000 0.967 569 R CB -0.447 29.868 30.300 0.024 0.000 0.862 569 R HN 0.113 nan 8.270 nan 0.000 0.436 570 N N 0.150 118.874 118.700 0.039 0.000 2.398 570 N HA 0.163 5.067 4.740 0.273 0.000 0.188 570 N C -0.462 175.069 175.510 0.036 0.000 1.122 570 N CA -0.267 52.801 53.050 0.031 0.000 0.866 570 N CB 0.165 38.668 38.487 0.026 0.000 0.970 570 N HN 0.152 nan 8.380 nan 0.000 0.462 571 I N 2.120 122.721 120.570 0.052 0.000 2.517 571 I HA 0.013 4.347 4.170 0.273 0.000 0.285 571 I C 0.630 176.759 176.117 0.021 0.000 1.106 571 I CA -0.075 61.252 61.300 0.045 0.000 1.402 571 I CB 0.523 38.562 38.000 0.064 0.000 1.399 571 I HN 0.008 nan 8.210 nan 0.000 0.535 572 R N 4.143 124.649 120.500 0.011 0.000 2.801 572 R HA 0.027 4.531 4.340 0.273 0.000 0.273 572 R C 0.592 176.886 176.300 -0.009 0.000 1.080 572 R CA -0.518 55.581 56.100 -0.002 0.000 1.197 572 R CB 0.393 30.693 30.300 -0.000 0.000 1.109 572 R HN 0.521 nan 8.270 nan 0.000 0.535 573 D N 0.703 121.082 120.400 -0.034 0.000 2.218 573 D HA -0.146 4.657 4.640 0.273 0.000 0.204 573 D C 0.955 177.286 176.300 0.052 0.000 0.976 573 D CA 1.392 55.348 54.000 -0.074 0.000 0.853 573 D CB -0.136 40.570 40.800 -0.157 0.000 0.939 573 D HN 0.573 nan 8.370 nan 0.000 0.481 574 D N -0.319 120.102 120.400 0.035 0.000 2.339 574 D HA -0.038 4.766 4.640 0.273 0.000 0.217 574 D C 1.027 177.326 176.300 -0.001 0.000 1.050 574 D CA 0.237 54.260 54.000 0.039 0.000 0.856 574 D CB -0.361 40.451 40.800 0.020 0.000 0.922 574 D HN 0.160 nan 8.370 nan 0.000 0.518 575 E N -0.219 119.976 120.200 -0.010 0.000 2.474 575 E HA 0.361 4.874 4.350 0.273 0.000 0.195 575 E C 0.614 177.146 176.600 -0.113 0.000 1.039 575 E CA 0.041 56.415 56.400 -0.044 0.000 0.881 575 E CB 0.828 30.519 29.700 -0.014 0.000 0.970 575 E HN 0.341 nan 8.360 nan 0.000 0.486 576 G N 0.941 109.675 108.800 -0.110 0.000 2.451 576 G HA2 0.459 4.583 3.960 0.273 0.000 0.292 576 G HA3 0.459 4.583 3.960 0.273 0.000 0.292 576 G C -1.655 173.209 174.900 -0.060 0.000 1.427 576 G CA -0.962 43.997 45.100 -0.235 0.000 0.792 576 G HN 0.116 nan 8.290 nan 0.000 0.498 577 F N -1.476 118.496 119.950 0.037 0.000 2.645 577 F HA 0.821 5.511 4.527 0.272 0.000 0.310 577 F C -0.859 175.025 175.800 0.140 0.000 1.102 577 F CA -1.617 56.448 58.000 0.108 0.000 0.952 577 F CB 1.605 40.569 39.000 -0.060 0.000 1.326 577 F HN 0.420 nan 8.300 nan 0.000 0.456 578 I N 3.076 123.893 120.570 0.413 0.000 2.392 578 I HA 0.464 4.797 4.170 0.273 0.000 0.295 578 I C -0.611 175.685 176.117 0.299 0.000 0.985 578 I CA -0.823 60.647 61.300 0.283 0.000 1.221 578 I CB 1.921 39.989 38.000 0.113 0.000 1.366 578 I HN 0.516 nan 8.210 nan 0.000 0.467 579 I N 5.745 126.501 120.570 0.310 0.000 2.465 579 I HA 0.363 4.696 4.170 0.273 0.000 0.291 579 I C -0.037 176.094 176.117 0.024 0.000 1.014 579 I CA -0.802 60.561 61.300 0.105 0.000 1.093 579 I CB 1.699 39.736 38.000 0.061 0.000 1.267 579 I HN 0.457 nan 8.210 nan 0.000 0.431 580 R N 5.191 125.692 120.500 0.002 0.000 2.870 580 R HA 0.299 4.802 4.340 0.273 0.000 0.254 580 R C -0.391 175.934 176.300 0.043 0.000 1.392 580 R CA -0.494 55.642 56.100 0.061 0.000 1.322 580 R CB -0.250 30.125 30.300 0.125 0.000 1.205 580 R HN 0.564 nan 8.270 nan 0.000 0.597 581 H N 0.807 119.940 119.070 0.106 0.000 2.639 581 H HA -0.043 4.677 4.556 0.274 0.000 0.373 581 H C 1.418 176.706 175.328 -0.067 0.000 1.372 581 H CA 0.036 56.123 56.048 0.065 0.000 1.448 581 H CB 0.430 30.226 29.762 0.057 0.000 1.544 581 H HN 0.499 nan 8.280 nan 0.000 0.615 582 F N -0.520 119.474 119.950 0.073 0.000 2.154 582 F HA -0.145 4.545 4.527 0.271 0.000 0.301 582 F C 2.000 177.726 175.800 -0.124 0.000 1.087 582 F CA 1.141 59.122 58.000 -0.032 0.000 1.274 582 F CB -0.646 38.337 39.000 -0.028 0.000 1.009 582 F HN 0.359 nan 8.300 nan 0.000 0.485 583 A N 0.085 122.106 122.820 -1.332 0.000 2.195 583 A HA 0.611 5.095 4.320 0.273 0.000 0.210 583 A C 1.186 178.458 177.584 -0.520 0.000 1.165 583 A CA 0.577 51.974 52.037 -1.066 0.000 0.806 583 A CB -0.797 17.103 19.000 -1.834 0.000 0.847 583 A HN 0.939 nan 8.150 nan 0.000 0.482 584 G N -2.368 106.215 108.800 -0.361 0.000 2.350 584 G HA2 0.542 4.665 3.960 0.273 0.000 0.304 584 G HA3 0.542 4.665 3.960 0.273 0.000 0.304 584 G C -0.479 174.417 174.900 -0.006 0.000 1.421 584 G CA -0.327 44.699 45.100 -0.123 0.000 0.934 584 G HN 1.140 nan 8.290 nan 0.000 0.632 585 A N -0.632 122.177 122.820 -0.017 0.000 2.477 585 A HA 0.620 5.103 4.320 0.273 0.000 0.246 585 A C 0.267 177.825 177.584 -0.043 0.000 1.078 585 A CA 0.144 52.192 52.037 0.019 0.000 0.770 585 A CB 0.571 19.567 19.000 -0.006 0.000 1.011 585 A HN 1.720 nan 8.150 nan 0.000 0.494 586 V N 2.328 122.279 119.914 0.062 0.000 2.588 586 V HA 0.317 4.600 4.120 0.273 0.000 0.304 586 V C -0.163 175.827 176.094 -0.174 0.000 1.042 586 V CA -0.750 61.484 62.300 -0.109 0.000 0.877 586 V CB 1.484 33.271 31.823 -0.060 0.000 0.996 586 V HN 1.052 nan 8.190 nan 0.000 0.425 587 C N 6.433 125.526 119.300 -0.346 0.000 2.285 587 C HA 0.653 5.276 4.460 0.273 0.000 0.335 587 C C -0.513 174.239 174.990 -0.397 0.000 1.267 587 C CA -0.506 58.284 59.018 -0.380 0.000 1.762 587 C CB -0.944 26.286 27.740 -0.851 0.000 2.365 587 C HN 0.753 nan 8.230 nan 0.000 0.527 588 Y N 3.763 124.023 120.300 -0.066 0.000 2.328 588 Y HA 0.416 5.129 4.550 0.271 0.000 0.337 588 Y C 0.602 176.313 175.900 -0.315 0.000 1.008 588 Y CA -0.286 57.748 58.100 -0.110 0.000 1.129 588 Y CB 0.818 39.199 38.460 -0.132 0.000 1.185 588 Y HN 0.617 nan 8.280 nan 0.000 0.476 589 E N 0.925 121.115 120.200 -0.016 0.000 2.229 589 E HA 0.127 4.640 4.350 0.273 0.000 0.283 589 E C 0.366 176.828 176.600 -0.230 0.000 1.030 589 E CA -0.136 56.210 56.400 -0.089 0.000 0.836 589 E CB 0.887 30.624 29.700 0.061 0.000 1.068 589 E HN 0.745 nan 8.360 nan 0.000 0.401 590 T N -0.954 113.328 114.554 -0.453 0.000 3.107 590 T HA -0.031 4.482 4.350 0.273 0.000 0.249 590 T C 1.090 175.666 174.700 -0.208 0.000 1.096 590 T CA -0.361 61.255 62.100 -0.807 0.000 1.012 590 T CB 0.207 68.611 68.868 -0.774 0.000 0.977 590 T HN 0.363 nan 8.240 nan 0.000 0.527 591 T N 2.441 116.968 114.554 -0.045 0.000 2.933 591 T HA -0.001 4.512 4.350 0.273 0.000 0.306 591 T C 0.692 175.471 174.700 0.133 0.000 1.045 591 T CA 0.814 62.939 62.100 0.042 0.000 1.143 591 T CB -0.220 68.664 68.868 0.028 0.000 1.003 591 T HN 0.663 nan 8.240 nan 0.000 0.540 592 Q N 1.813 121.669 119.800 0.093 0.000 2.324 592 Q HA -0.227 4.276 4.340 0.273 0.000 0.200 592 Q C 0.948 176.974 176.000 0.042 0.000 0.645 592 Q CA 1.455 57.297 55.803 0.065 0.000 1.377 592 Q CB -2.197 26.577 28.738 0.059 0.000 1.486 592 Q HN 0.850 nan 8.270 nan 0.000 0.796 593 F N 0.180 120.002 119.950 -0.214 0.000 2.161 593 F HA -0.220 4.472 4.527 0.275 0.000 0.300 593 F C 2.383 177.819 175.800 -0.606 0.000 1.089 593 F CA 1.455 59.177 58.000 -0.464 0.000 1.282 593 F CB 0.129 38.868 39.000 -0.434 0.000 1.010 593 F HN 0.015 nan 8.300 nan 0.000 0.485 594 V N 0.667 120.446 119.914 -0.225 0.000 2.307 594 V HA -0.272 4.012 4.120 0.273 0.000 0.245 594 V C 2.115 178.074 176.094 -0.224 0.000 1.045 594 V CA 2.250 64.396 62.300 -0.257 0.000 1.024 594 V CB -0.828 30.913 31.823 -0.136 0.000 0.651 594 V HN 0.429 nan 8.190 nan 0.000 0.449 595 E N 0.668 120.775 120.200 -0.155 0.000 2.107 595 E HA -0.219 4.295 4.350 0.273 0.000 0.191 595 E C 2.006 178.517 176.600 -0.148 0.000 0.982 595 E CA 1.055 57.388 56.400 -0.112 0.000 0.809 595 E CB -0.358 29.309 29.700 -0.054 0.000 0.756 595 E HN 0.510 nan 8.360 nan 0.000 0.459 596 K N 0.468 120.729 120.400 -0.232 0.000 2.362 596 K HA -0.060 4.424 4.320 0.273 0.000 0.200 596 K C 1.546 177.931 176.600 -0.359 0.000 1.046 596 K CA 0.944 57.080 56.287 -0.251 0.000 0.952 596 K CB -0.098 32.242 32.500 -0.267 0.000 0.753 596 K HN 0.032 nan 8.250 nan 0.000 0.466 597 N N 0.953 119.348 118.700 -0.508 0.000 2.461 597 N HA -0.058 4.845 4.740 0.273 0.000 0.188 597 N C -0.571 174.862 175.510 -0.128 0.000 1.134 597 N CA 0.277 53.102 53.050 -0.376 0.000 0.878 597 N CB 0.182 38.396 38.487 -0.455 0.000 0.972 597 N HN 0.009 nan 8.380 nan 0.000 0.456 598 N N 0.458 119.101 118.700 -0.095 0.000 2.372 598 N HA 0.136 5.040 4.740 0.273 0.000 0.285 598 N C -1.385 174.130 175.510 0.009 0.000 1.008 598 N CA -0.220 52.814 53.050 -0.027 0.000 0.880 598 N CB 1.304 39.772 38.487 -0.031 0.000 1.239 598 N HN 0.165 nan 8.380 nan 0.000 0.484 599 D N 0.841 121.266 120.400 0.040 0.000 2.740 599 D HA 0.144 4.948 4.640 0.273 0.000 0.305 599 D C -0.265 176.074 176.300 0.066 0.000 1.583 599 D CA -0.411 53.623 54.000 0.056 0.000 0.790 599 D CB -0.517 40.325 40.800 0.070 0.000 1.187 599 D HN 0.386 nan 8.370 nan 0.000 0.447 600 A N 0.674 123.531 122.820 0.062 0.000 2.540 600 A HA 0.390 4.874 4.320 0.273 0.000 0.239 600 A C -0.134 177.486 177.584 0.059 0.000 1.061 600 A CA -0.251 51.826 52.037 0.067 0.000 0.758 600 A CB 0.173 19.213 19.000 0.066 0.000 0.991 600 A HN 0.390 nan 8.150 nan 0.000 0.502 601 L N 4.305 125.559 121.223 0.051 0.000 2.257 601 L HA 0.408 4.911 4.340 0.273 0.000 0.290 601 L C 0.440 177.302 176.870 -0.013 0.000 1.044 601 L CA -0.314 54.519 54.840 -0.012 0.000 0.810 601 L CB 0.303 42.371 42.059 0.015 0.000 1.193 601 L HN 0.856 nan 8.230 nan 0.000 0.425 602 H N 2.815 121.911 119.070 0.043 0.000 2.757 602 H HA 0.167 4.888 4.556 0.274 0.000 0.370 602 H C 0.811 176.155 175.328 0.027 0.000 1.172 602 H CA -0.214 55.851 56.048 0.029 0.000 1.426 602 H CB 0.540 30.310 29.762 0.013 0.000 1.438 602 H HN 0.699 nan 8.280 nan 0.000 0.612 603 M N 1.451 121.203 119.600 0.252 0.000 2.200 603 M HA -0.099 4.544 4.480 0.273 0.000 0.265 603 M C 2.190 178.566 176.300 0.128 0.000 1.066 603 M CA 1.743 57.123 55.300 0.133 0.000 1.127 603 M CB -0.448 32.208 32.600 0.093 0.000 1.379 603 M HN 0.866 nan 8.290 nan 0.000 0.420 604 S N -0.253 115.584 115.700 0.229 0.000 2.368 604 S HA -0.146 4.488 4.470 0.273 0.000 0.225 604 S C 1.859 176.516 174.600 0.096 0.000 1.030 604 S CA 1.294 59.580 58.200 0.143 0.000 0.999 604 S CB -0.975 62.304 63.200 0.132 0.000 0.844 604 S HN 0.449 nan 8.310 nan 0.000 0.459 605 L N 2.195 123.470 121.223 0.087 0.000 2.109 605 L HA 0.137 4.640 4.340 0.273 0.000 0.207 605 L C 2.563 179.367 176.870 -0.110 0.000 1.086 605 L CA 2.146 56.944 54.840 -0.069 0.000 0.760 605 L CB -1.023 40.852 42.059 -0.307 0.000 0.910 605 L HN 0.561 nan 8.230 nan 0.000 0.437 606 E N -1.494 118.642 120.200 -0.107 0.000 2.072 606 E HA -0.217 4.296 4.350 0.273 0.000 0.191 606 E C 2.248 178.751 176.600 -0.161 0.000 0.985 606 E CA 1.225 57.566 56.400 -0.100 0.000 0.801 606 E CB -0.206 29.488 29.700 -0.011 0.000 0.750 606 E HN 0.454 nan 8.360 nan 0.000 0.452 607 S N -0.252 115.395 115.700 -0.088 0.000 2.399 607 S HA -0.142 4.492 4.470 0.273 0.000 0.231 607 S C 1.852 176.375 174.600 -0.127 0.000 1.022 607 S CA 0.936 59.081 58.200 -0.092 0.000 0.983 607 S CB -0.292 62.888 63.200 -0.034 0.000 0.803 607 S HN 0.354 nan 8.310 nan 0.000 0.480 608 L N 1.092 122.249 121.223 -0.109 0.000 2.017 608 L HA 0.040 4.543 4.340 0.273 0.000 0.208 608 L C 2.073 178.838 176.870 -0.175 0.000 1.073 608 L CA 1.647 56.426 54.840 -0.102 0.000 0.745 608 L CB -0.635 41.393 42.059 -0.052 0.000 0.894 608 L HN 0.398 nan 8.230 nan 0.000 0.432 609 I N -1.234 119.169 120.570 -0.278 0.000 2.394 609 I HA -0.285 4.048 4.170 0.273 0.000 0.251 609 I C 2.305 178.029 176.117 -0.654 0.000 1.136 609 I CA 1.211 62.252 61.300 -0.432 0.000 1.425 609 I CB -0.327 37.380 38.000 -0.490 0.000 1.079 609 I HN 0.360 nan 8.210 nan 0.000 0.425 610 C N 0.248 119.142 119.300 -0.676 0.000 2.422 610 C HA -0.068 4.556 4.460 0.273 0.000 0.279 610 C C 1.662 176.514 174.990 -0.230 0.000 1.305 610 C CA 0.441 59.167 59.018 -0.487 0.000 1.757 610 C CB -1.285 26.283 27.740 -0.287 0.000 1.962 610 C HN 0.423 nan 8.230 nan 0.000 0.499 611 E N 0.786 120.877 120.200 -0.181 0.000 2.947 611 E HA 0.185 4.699 4.350 0.273 0.000 0.229 611 E C 0.101 176.653 176.600 -0.080 0.000 1.158 611 E CA -0.022 56.318 56.400 -0.100 0.000 1.441 611 E CB 0.111 29.769 29.700 -0.070 0.000 1.414 611 E HN 0.287 nan 8.360 nan 0.000 0.432 612 S N 0.049 115.696 115.700 -0.089 0.000 2.562 612 S HA 0.098 4.731 4.470 0.273 0.000 0.281 612 S C 1.437 176.029 174.600 -0.013 0.000 1.333 612 S CA -0.234 57.940 58.200 -0.042 0.000 1.052 612 S CB 0.627 63.812 63.200 -0.026 0.000 0.884 612 S HN 0.425 nan 8.310 nan 0.000 0.506 613 R N 1.857 122.358 120.500 0.001 0.000 2.134 613 R HA -0.164 4.339 4.340 0.273 0.000 0.248 613 R C 0.353 176.665 176.300 0.020 0.000 1.143 613 R CA 1.843 57.950 56.100 0.010 0.000 0.957 613 R CB -0.469 29.841 30.300 0.018 0.000 0.867 613 R HN 0.741 nan 8.270 nan 0.000 0.441 614 D N 0.505 120.926 120.400 0.035 0.000 2.383 614 D HA -0.027 4.777 4.640 0.273 0.000 0.252 614 D C 0.766 177.104 176.300 0.063 0.000 1.166 614 D CA 0.311 54.345 54.000 0.057 0.000 0.879 614 D CB 1.077 41.926 40.800 0.080 0.000 1.164 614 D HN -0.084 nan 8.370 nan 0.000 0.462 615 K N 3.312 123.751 120.400 0.065 0.000 2.097 615 K HA -0.160 4.324 4.320 0.273 0.000 0.205 615 K C 1.708 178.348 176.600 0.067 0.000 1.050 615 K CA 0.737 57.055 56.287 0.052 0.000 0.938 615 K CB -0.190 32.337 32.500 0.045 0.000 0.718 615 K HN 0.584 nan 8.250 nan 0.000 0.442 616 F N 1.486 121.410 119.950 -0.044 0.000 2.134 616 F HA -0.147 4.538 4.527 0.264 0.000 0.299 616 F C 1.731 177.490 175.800 -0.067 0.000 1.097 616 F CA 1.344 59.294 58.000 -0.085 0.000 1.264 616 F CB -0.015 38.917 39.000 -0.113 0.000 1.001 616 F HN -0.041 nan 8.300 nan 0.000 0.479 617 I N 0.042 120.686 120.570 0.123 0.000 2.252 617 I HA -0.267 4.066 4.170 0.273 0.000 0.245 617 I C 2.465 178.629 176.117 0.078 0.000 1.102 617 I CA 1.135 62.495 61.300 0.101 0.000 1.385 617 I CB -0.451 37.639 38.000 0.151 0.000 1.064 617 I HN 0.054 nan 8.210 nan 0.000 0.414 618 R N 0.633 121.147 120.500 0.023 0.000 2.105 618 R HA -0.190 4.313 4.340 0.273 0.000 0.239 618 R C 2.076 178.381 176.300 0.009 0.000 1.135 618 R CA 1.385 57.492 56.100 0.010 0.000 0.967 618 R CB -0.353 29.938 30.300 -0.015 0.000 0.861 618 R HN 0.472 nan 8.270 nan 0.000 0.442 619 E N 0.734 120.885 120.200 -0.081 0.000 2.150 619 E HA -0.127 4.387 4.350 0.273 0.000 0.193 619 E C 2.029 178.526 176.600 -0.173 0.000 0.985 619 E CA 0.733 57.050 56.400 -0.138 0.000 0.814 619 E CB -0.040 29.534 29.700 -0.211 0.000 0.752 619 E HN 0.282 nan 8.360 nan 0.000 0.466 620 L N -0.349 120.722 121.223 -0.252 0.000 2.127 620 L HA -0.171 4.332 4.340 0.273 0.000 0.211 620 L C 1.568 178.283 176.870 -0.259 0.000 1.089 620 L CA 1.002 55.672 54.840 -0.285 0.000 0.757 620 L CB -0.216 41.653 42.059 -0.317 0.000 0.899 620 L HN 0.131 nan 8.230 nan 0.000 0.434 621 F N -0.376 119.450 119.950 -0.207 0.000 2.692 621 F HA 0.105 4.798 4.527 0.278 0.000 0.303 621 F C 1.242 176.980 175.800 -0.104 0.000 1.114 621 F CA -0.266 57.593 58.000 -0.234 0.000 1.361 621 F CB 0.002 38.852 39.000 -0.250 0.000 1.063 621 F HN 0.203 nan 8.300 nan 0.000 0.550 641 I N 2.315 122.926 120.570 0.067 0.000 2.441 641 I HA 0.537 4.870 4.170 0.273 0.000 0.295 641 I C 0.825 176.990 176.117 0.081 0.000 0.994 641 I CA -1.003 60.342 61.300 0.075 0.000 1.144 641 I CB 2.052 40.102 38.000 0.082 0.000 1.314 641 I HN 0.374 nan 8.210 nan 0.000 0.445 642 S N 4.105 119.855 115.700 0.083 0.000 2.600 642 S HA 0.202 4.836 4.470 0.273 0.000 0.265 642 S C 1.088 175.768 174.600 0.133 0.000 1.325 642 S CA -0.780 57.469 58.200 0.083 0.000 1.002 642 S CB 1.471 64.710 63.200 0.064 0.000 0.921 642 S HN 0.401 nan 8.310 nan 0.000 0.554 643 V N 2.482 122.483 119.914 0.144 0.000 2.287 643 V HA -0.082 4.201 4.120 0.273 0.000 0.248 643 V C 2.778 179.067 176.094 0.324 0.000 1.053 643 V CA 2.405 64.843 62.300 0.229 0.000 1.027 643 V CB -1.823 30.149 31.823 0.248 0.000 0.646 643 V HN 1.068 nan 8.190 nan 0.000 0.447 644 G N -0.073 108.938 108.800 0.351 0.000 2.440 644 G HA2 -0.272 3.852 3.960 0.273 0.000 0.218 644 G HA3 -0.272 3.852 3.960 0.273 0.000 0.218 644 G C 1.472 176.574 174.900 0.336 0.000 1.154 644 G CA 0.974 46.309 45.100 0.392 0.000 0.767 644 G HN 0.512 nan 8.290 nan 0.000 0.552 645 N N 0.337 119.184 118.700 0.245 0.000 2.250 645 N HA -0.003 4.900 4.740 0.273 0.000 0.181 645 N C 2.181 177.812 175.510 0.202 0.000 1.017 645 N CA 0.569 53.745 53.050 0.209 0.000 0.866 645 N CB -0.135 38.441 38.487 0.148 0.000 0.985 645 N HN 0.336 nan 8.380 nan 0.000 0.429 646 K N 0.256 120.773 120.400 0.195 0.000 2.063 646 K HA -0.140 4.343 4.320 0.273 0.000 0.208 646 K C 1.871 178.583 176.600 0.186 0.000 1.048 646 K CA 0.950 57.337 56.287 0.166 0.000 0.928 646 K CB -0.269 32.325 32.500 0.157 0.000 0.713 646 K HN 0.080 nan 8.250 nan 0.000 0.442 647 F N 2.329 122.360 119.950 0.136 0.000 2.069 647 F HA -0.262 4.427 4.527 0.270 0.000 0.298 647 F C 2.493 178.382 175.800 0.147 0.000 1.113 647 F CA 1.749 59.830 58.000 0.135 0.000 1.214 647 F CB -0.113 38.976 39.000 0.148 0.000 0.978 647 F HN -0.113 nan 8.300 nan 0.000 0.474 648 K N -0.541 120.104 120.400 0.408 0.000 2.044 648 K HA -0.202 4.281 4.320 0.273 0.000 0.210 648 K C 1.990 178.661 176.600 0.119 0.000 1.049 648 K CA 2.204 58.694 56.287 0.338 0.000 0.927 648 K CB -0.583 32.127 32.500 0.349 0.000 0.713 648 K HN 0.249 nan 8.250 nan 0.000 0.443 649 T N 1.307 115.921 114.554 0.101 0.000 2.652 649 T HA -0.152 4.361 4.350 0.273 0.000 0.267 649 T C 1.880 176.575 174.700 -0.008 0.000 1.039 649 T CA 1.421 63.551 62.100 0.050 0.000 1.153 649 T CB -0.183 68.723 68.868 0.063 0.000 0.863 649 T HN 0.309 nan 8.240 nan 0.000 0.428 650 Q N 0.411 120.183 119.800 -0.047 0.000 2.079 650 Q HA 0.013 4.517 4.340 0.273 0.000 0.200 650 Q C 2.432 178.333 176.000 -0.165 0.000 0.974 650 Q CA 0.874 56.631 55.803 -0.077 0.000 0.840 650 Q CB -0.928 27.753 28.738 -0.094 0.000 0.898 650 Q HN 0.381 nan 8.270 nan 0.000 0.430 651 L N 1.809 122.849 121.223 -0.305 0.000 2.013 651 L HA -0.211 4.292 4.340 0.273 0.000 0.212 651 L C 1.641 178.365 176.870 -0.243 0.000 1.073 651 L CA 1.814 56.442 54.840 -0.353 0.000 0.753 651 L CB -0.769 41.042 42.059 -0.413 0.000 0.890 651 L HN 0.143 nan 8.230 nan 0.000 0.432 652 N N -0.564 118.055 118.700 -0.136 0.000 2.244 652 N HA -0.124 4.780 4.740 0.273 0.000 0.183 652 N C 1.877 177.327 175.510 -0.101 0.000 1.016 652 N CA 1.481 54.477 53.050 -0.089 0.000 0.866 652 N CB -0.291 38.188 38.487 -0.014 0.000 0.980 652 N HN 0.411 nan 8.380 nan 0.000 0.430 653 L N 0.074 121.246 121.223 -0.085 0.000 2.083 653 L HA -0.134 4.370 4.340 0.273 0.000 0.209 653 L C 2.219 178.990 176.870 -0.166 0.000 1.083 653 L CA 0.554 55.362 54.840 -0.053 0.000 0.752 653 L CB -0.444 41.642 42.059 0.045 0.000 0.899 653 L HN 0.145 nan 8.230 nan 0.000 0.433 654 L N 0.164 121.163 121.223 -0.372 0.000 2.017 654 L HA -0.203 4.301 4.340 0.273 0.000 0.208 654 L C 2.312 178.873 176.870 -0.516 0.000 1.073 654 L CA 1.797 56.196 54.840 -0.735 0.000 0.745 654 L CB -0.483 41.033 42.059 -0.904 0.000 0.894 654 L HN 0.098 nan 8.230 nan 0.000 0.432 655 L N -0.678 120.320 121.223 -0.376 0.000 2.141 655 L HA -0.180 4.324 4.340 0.273 0.000 0.209 655 L C 2.215 178.949 176.870 -0.228 0.000 1.094 655 L CA 0.996 55.639 54.840 -0.328 0.000 0.763 655 L CB -0.807 41.125 42.059 -0.212 0.000 0.908 655 L HN 0.285 nan 8.230 nan 0.000 0.437 656 D N 0.205 120.513 120.400 -0.152 0.000 2.097 656 D HA -0.210 4.593 4.640 0.273 0.000 0.195 656 D C 2.110 178.367 176.300 -0.073 0.000 0.989 656 D CA 1.179 55.135 54.000 -0.073 0.000 0.827 656 D CB -0.020 40.759 40.800 -0.036 0.000 0.966 656 D HN 0.202 nan 8.370 nan 0.000 0.456 657 K N 0.388 120.714 120.400 -0.124 0.000 2.026 657 K HA -0.091 4.393 4.320 0.273 0.000 0.208 657 K C 2.269 178.798 176.600 -0.118 0.000 1.048 657 K CA 0.761 56.995 56.287 -0.089 0.000 0.929 657 K CB -0.131 32.269 32.500 -0.167 0.000 0.713 657 K HN 0.101 nan 8.250 nan 0.000 0.439 658 L N 0.332 121.371 121.223 -0.307 0.000 2.056 658 L HA -0.131 4.373 4.340 0.273 0.000 0.207 658 L C 2.558 179.369 176.870 -0.098 0.000 1.078 658 L CA 1.119 55.741 54.840 -0.363 0.000 0.749 658 L CB -0.367 41.174 42.059 -0.863 0.000 0.901 658 L HN 0.164 nan 8.230 nan 0.000 0.433 659 R N -0.067 120.410 120.500 -0.038 0.000 2.193 659 R HA -0.116 4.388 4.340 0.273 0.000 0.229 659 R C 2.364 178.743 176.300 0.132 0.000 1.110 659 R CA 1.466 57.690 56.100 0.207 0.000 0.988 659 R CB -0.269 30.116 30.300 0.143 0.000 0.871 659 R HN 0.431 nan 8.270 nan 0.000 0.458 660 S N -0.312 115.433 115.700 0.073 0.000 2.603 660 S HA -0.031 4.602 4.470 0.273 0.000 0.220 660 S C 0.846 175.467 174.600 0.036 0.000 0.967 660 S CA 0.200 58.436 58.200 0.059 0.000 0.920 660 S CB -0.023 63.219 63.200 0.070 0.000 0.773 660 S HN 0.265 nan 8.310 nan 0.000 0.529 661 T N -1.655 112.931 114.554 0.053 0.000 2.950 661 T HA 0.737 5.251 4.350 0.273 0.000 0.288 661 T C 0.428 175.145 174.700 0.028 0.000 1.035 661 T CA -0.386 61.712 62.100 -0.003 0.000 1.028 661 T CB 1.162 70.037 68.868 0.012 0.000 1.109 661 T HN 0.238 nan 8.240 nan 0.000 0.514 662 G N -0.184 108.593 108.800 -0.039 0.000 2.483 662 G HA2 0.546 4.670 3.960 0.273 0.000 0.248 662 G HA3 0.546 4.670 3.960 0.273 0.000 0.248 662 G C -0.325 174.569 174.900 -0.009 0.000 1.248 662 G CA -0.465 44.616 45.100 -0.033 0.000 0.838 662 G HN 1.126 nan 8.290 nan 0.000 0.566 663 A N 1.362 124.175 122.820 -0.011 0.000 2.355 663 A HA 0.841 5.324 4.320 0.273 0.000 0.317 663 A C 0.028 177.464 177.584 -0.247 0.000 1.094 663 A CA -0.530 51.441 52.037 -0.110 0.000 0.764 663 A CB 1.695 20.699 19.000 0.007 0.000 1.230 663 A HN 0.799 nan 8.150 nan 0.000 0.448 664 S N 0.106 115.545 115.700 -0.435 0.000 2.599 664 S HA 0.856 5.490 4.470 0.273 0.000 0.294 664 S C -1.290 172.906 174.600 -0.673 0.000 1.094 664 S CA -0.283 57.713 58.200 -0.340 0.000 0.931 664 S CB 1.025 64.160 63.200 -0.108 0.000 1.093 664 S HN 0.485 nan 8.310 nan 0.000 0.488 665 F N 1.110 121.090 119.950 0.051 0.000 2.547 665 F HA 0.621 5.312 4.527 0.273 0.000 0.316 665 F C -0.292 175.520 175.800 0.020 0.000 1.121 665 F CA -0.692 57.294 58.000 -0.024 0.000 0.911 665 F CB 1.144 40.069 39.000 -0.125 0.000 1.179 665 F HN 0.269 nan 8.300 nan 0.000 0.443 666 I N 3.506 124.157 120.570 0.136 0.000 2.509 666 I HA 0.535 4.868 4.170 0.273 0.000 0.293 666 I C -0.761 175.415 176.117 0.097 0.000 1.020 666 I CA -1.111 60.263 61.300 0.124 0.000 1.088 666 I CB 1.894 39.950 38.000 0.093 0.000 1.267 666 I HN 0.369 nan 8.210 nan 0.000 0.430 667 R N 4.276 124.841 120.500 0.109 0.000 2.310 667 R HA 0.400 4.903 4.340 0.273 0.000 0.316 667 R C -1.324 175.018 176.300 0.070 0.000 1.004 667 R CA -0.882 55.269 56.100 0.085 0.000 0.900 667 R CB 0.850 31.214 30.300 0.107 0.000 1.152 667 R HN 0.559 nan 8.270 nan 0.000 0.513 668 C N 4.131 123.460 119.300 0.049 0.000 2.435 668 C HA 0.545 5.168 4.460 0.273 0.000 0.375 668 C C 0.354 175.337 174.990 -0.012 0.000 1.281 668 C CA -0.622 58.409 59.018 0.021 0.000 1.963 668 C CB -0.054 27.695 27.740 0.016 0.000 2.490 668 C HN 0.539 nan 8.230 nan 0.000 0.557 669 I N 3.236 123.774 120.570 -0.054 0.000 2.465 669 I HA 0.389 4.723 4.170 0.273 0.000 0.291 669 I C 0.017 176.046 176.117 -0.146 0.000 1.014 669 I CA -0.529 60.712 61.300 -0.099 0.000 1.093 669 I CB 1.542 39.465 38.000 -0.129 0.000 1.267 669 I HN 0.649 nan 8.210 nan 0.000 0.431 670 K N 8.312 128.636 120.400 -0.127 0.000 2.264 670 K HA 0.380 4.864 4.320 0.273 0.000 0.277 670 K C -1.743 174.773 176.600 -0.141 0.000 1.067 670 K CA -1.450 54.781 56.287 -0.093 0.000 0.900 670 K CB 1.657 34.149 32.500 -0.012 0.000 1.124 670 K HN 0.234 nan 8.250 nan 0.000 0.469 671 P HA -0.107 nan 4.420 nan 0.000 0.225 671 P C -0.934 176.245 177.300 -0.202 0.000 1.156 671 P CA 0.944 63.859 63.100 -0.307 0.000 0.787 671 P CB 0.017 31.552 31.700 -0.274 0.000 0.802 672 N N -2.473 116.226 118.700 -0.002 0.000 3.116 672 N HA 0.196 5.099 4.740 0.273 0.000 0.244 672 N C -0.060 175.479 175.510 0.049 0.000 1.485 672 N CA -0.884 52.165 53.050 -0.001 0.000 0.884 672 N CB 0.104 38.632 38.487 0.068 0.000 1.415 672 N HN -0.327 nan 8.380 nan 0.000 0.524 673 L N -0.789 120.450 121.223 0.027 0.000 2.612 673 L HA 0.281 4.785 4.340 0.273 0.000 0.230 673 L C 0.631 177.498 176.870 -0.004 0.000 1.140 673 L CA 0.339 55.190 54.840 0.018 0.000 0.896 673 L CB -0.248 41.818 42.059 0.011 0.000 1.065 673 L HN 0.489 nan 8.230 nan 0.000 0.447 674 K N 0.153 120.539 120.400 -0.023 0.000 2.438 674 K HA 0.319 4.802 4.320 0.273 0.000 0.205 674 K C 0.631 177.110 176.600 -0.202 0.000 1.033 674 K CA -0.258 55.990 56.287 -0.064 0.000 1.089 674 K CB 0.652 33.145 32.500 -0.011 0.000 0.857 674 K HN 0.162 nan 8.250 nan 0.000 0.522 675 M N 1.321 120.663 119.600 -0.429 0.000 2.393 675 M HA -0.201 4.443 4.480 0.273 0.000 0.201 675 M C 0.031 175.859 176.300 -0.787 0.000 0.403 675 M CA 1.024 55.663 55.300 -1.102 0.000 0.471 675 M CB -1.754 30.468 32.600 -0.630 0.000 1.669 675 M HN 0.160 nan 8.290 nan 0.000 0.864 676 T N -0.902 113.438 114.554 -0.356 0.000 2.855 676 T HA 0.645 5.159 4.350 0.273 0.000 0.281 676 T C 0.425 175.234 174.700 0.181 0.000 1.007 676 T CA 0.028 62.101 62.100 -0.044 0.000 1.009 676 T CB 1.585 70.458 68.868 0.008 0.000 0.983 676 T HN 0.390 nan 8.240 nan 0.000 0.455 677 S N 3.372 119.183 115.700 0.186 0.000 2.617 677 S HA 0.300 4.934 4.470 0.273 0.000 0.269 677 S C -0.019 174.651 174.600 0.116 0.000 1.292 677 S CA -0.447 57.833 58.200 0.134 0.000 1.010 677 S CB -0.098 63.094 63.200 -0.013 0.000 0.944 677 S HN 1.004 nan 8.310 nan 0.000 0.536 678 H N -0.375 118.841 119.070 0.244 0.000 2.770 678 H HA -0.186 4.534 4.556 0.274 0.000 0.309 678 H C -0.383 175.147 175.328 0.337 0.000 1.206 678 H CA 1.489 57.637 56.048 0.167 0.000 1.147 678 H CB -2.163 27.604 29.762 0.008 0.000 1.422 678 H HN 0.946 nan 8.280 nan 0.000 0.420 679 H N -0.502 118.800 119.070 0.386 0.000 3.021 679 H HA 0.312 5.031 4.556 0.272 0.000 0.293 679 H C -1.444 174.082 175.328 0.330 0.000 1.244 679 H CA -0.791 55.439 56.048 0.302 0.000 1.596 679 H CB -0.248 29.627 29.762 0.188 0.000 1.720 679 H HN 0.216 nan 8.280 nan 0.000 0.537 680 F N 3.448 123.410 119.950 0.020 0.000 2.413 680 F HA 0.310 5.001 4.527 0.274 0.000 0.359 680 F C 0.003 175.652 175.800 -0.253 0.000 1.122 680 F CA -0.526 57.403 58.000 -0.118 0.000 1.160 680 F CB 0.582 39.587 39.000 0.008 0.000 1.146 680 F HN 0.454 nan 8.300 nan 0.000 0.514 681 E N 4.438 124.322 120.200 -0.526 0.000 1.993 681 E HA 0.278 4.791 4.350 0.273 0.000 0.271 681 E C 0.983 177.345 176.600 -0.397 0.000 1.008 681 E CA 0.058 56.228 56.400 -0.384 0.000 0.814 681 E CB 0.914 30.408 29.700 -0.344 0.000 1.098 681 E HN 0.795 nan 8.360 nan 0.000 0.407 682 G N 3.428 112.144 108.800 -0.139 0.000 2.459 682 G HA2 -0.319 3.805 3.960 0.273 0.000 0.217 682 G HA3 -0.319 3.805 3.960 0.273 0.000 0.217 682 G C 1.333 176.178 174.900 -0.090 0.000 1.183 682 G CA 0.889 45.973 45.100 -0.025 0.000 0.776 682 G HN 0.600 nan 8.290 nan 0.000 0.552 683 A N 0.143 122.921 122.820 -0.070 0.000 1.930 683 A HA -0.039 4.444 4.320 0.273 0.000 0.217 683 A C 2.351 179.872 177.584 -0.106 0.000 1.175 683 A CA 1.908 53.896 52.037 -0.082 0.000 0.627 683 A CB -0.384 18.581 19.000 -0.058 0.000 0.815 683 A HN 0.486 nan 8.150 nan 0.000 0.443 684 Q N -0.567 119.150 119.800 -0.138 0.000 2.119 684 Q HA -0.059 4.444 4.340 0.273 0.000 0.201 684 Q C 1.935 177.834 176.000 -0.169 0.000 0.972 684 Q CA 1.456 57.172 55.803 -0.146 0.000 0.847 684 Q CB -0.256 28.388 28.738 -0.156 0.000 0.903 684 Q HN 0.739 nan 8.270 nan 0.000 0.433 685 I N 0.081 120.501 120.570 -0.251 0.000 2.333 685 I HA -0.210 4.124 4.170 0.273 0.000 0.246 685 I C 2.148 178.190 176.117 -0.124 0.000 1.106 685 I CA 0.308 61.449 61.300 -0.266 0.000 1.411 685 I CB -0.125 37.554 38.000 -0.534 0.000 1.082 685 I HN 0.219 nan 8.210 nan 0.000 0.420 686 L N 0.381 121.554 121.223 -0.084 0.000 2.042 686 L HA -0.244 4.259 4.340 0.273 0.000 0.210 686 L C 2.595 179.464 176.870 -0.002 0.000 1.076 686 L CA 1.969 56.802 54.840 -0.012 0.000 0.749 686 L CB -0.821 41.229 42.059 -0.016 0.000 0.893 686 L HN 0.119 nan 8.230 nan 0.000 0.432 687 S N -1.243 114.441 115.700 -0.027 0.000 2.368 687 S HA -0.243 4.390 4.470 0.273 0.000 0.225 687 S C 1.920 176.531 174.600 0.018 0.000 1.030 687 S CA 1.639 59.838 58.200 -0.001 0.000 0.999 687 S CB -0.175 63.001 63.200 -0.041 0.000 0.844 687 S HN 0.704 nan 8.310 nan 0.000 0.459 688 Q N 0.181 119.974 119.800 -0.012 0.000 2.167 688 Q HA 0.055 4.558 4.340 0.273 0.000 0.202 688 Q C 2.230 178.260 176.000 0.050 0.000 0.970 688 Q CA 1.141 56.952 55.803 0.012 0.000 0.855 688 Q CB -0.233 28.488 28.738 -0.028 0.000 0.911 688 Q HN 0.491 nan 8.270 nan 0.000 0.438 689 L N 0.395 121.642 121.223 0.038 0.000 2.083 689 L HA -0.246 4.258 4.340 0.273 0.000 0.209 689 L C 2.368 179.297 176.870 0.098 0.000 1.083 689 L CA 1.307 56.188 54.840 0.067 0.000 0.752 689 L CB -0.269 41.819 42.059 0.050 0.000 0.899 689 L HN 0.288 nan 8.230 nan 0.000 0.433 690 Q N -1.133 118.719 119.800 0.085 0.000 2.016 690 Q HA -0.186 4.318 4.340 0.273 0.000 0.200 690 Q C 2.450 178.500 176.000 0.084 0.000 0.978 690 Q CA 1.874 57.727 55.803 0.083 0.000 0.833 690 Q CB -0.269 28.512 28.738 0.070 0.000 0.895 690 Q HN 0.526 nan 8.270 nan 0.000 0.427 691 C N 0.513 119.882 119.300 0.116 0.000 2.432 691 C HA -0.061 4.563 4.460 0.273 0.000 0.280 691 C C 2.740 177.906 174.990 0.293 0.000 1.353 691 C CA 1.049 60.174 59.018 0.179 0.000 1.766 691 C CB -0.971 26.950 27.740 0.301 0.000 1.924 691 C HN 0.585 nan 8.230 nan 0.000 0.509 692 S N -0.308 115.545 115.700 0.254 0.000 2.593 692 S HA 0.326 4.960 4.470 0.273 0.000 0.217 692 S C 1.465 176.258 174.600 0.322 0.000 0.966 692 S CA 1.051 59.406 58.200 0.260 0.000 0.914 692 S CB -0.299 62.998 63.200 0.161 0.000 0.776 692 S HN 1.010 nan 8.310 nan 0.000 0.523 693 G N 0.995 110.049 108.800 0.424 0.000 2.179 693 G HA2 -0.299 3.825 3.960 0.273 0.000 0.260 693 G HA3 -0.299 3.825 3.960 0.273 0.000 0.260 693 G C 0.797 175.867 174.900 0.283 0.000 0.977 693 G CA 0.480 45.828 45.100 0.413 0.000 0.641 693 G HN 0.374 nan 8.290 nan 0.000 0.533 694 M N 0.302 120.058 119.600 0.261 0.000 2.108 694 M HA 0.018 4.662 4.480 0.273 0.000 0.261 694 M C 2.732 179.088 176.300 0.094 0.000 1.066 694 M CA 1.861 57.271 55.300 0.183 0.000 1.107 694 M CB -1.123 31.573 32.600 0.159 0.000 1.356 694 M HN 0.257 nan 8.290 nan 0.000 0.406 695 V N -1.021 118.953 119.914 0.100 0.000 2.358 695 V HA -0.226 4.057 4.120 0.273 0.000 0.246 695 V C 2.534 178.665 176.094 0.062 0.000 1.047 695 V CA 1.894 64.236 62.300 0.069 0.000 1.035 695 V CB -0.932 30.937 31.823 0.077 0.000 0.658 695 V HN 0.551 nan 8.190 nan 0.000 0.452 696 S N -0.307 115.444 115.700 0.086 0.000 2.370 696 S HA -0.182 4.451 4.470 0.273 0.000 0.226 696 S C 1.988 176.566 174.600 -0.037 0.000 1.033 696 S CA 1.998 60.233 58.200 0.060 0.000 1.011 696 S CB -0.229 63.051 63.200 0.133 0.000 0.852 696 S HN 0.319 nan 8.310 nan 0.000 0.457 697 V N 2.040 121.881 119.914 -0.123 0.000 2.427 697 V HA -0.097 4.186 4.120 0.273 0.000 0.248 697 V C 2.413 178.442 176.094 -0.109 0.000 1.051 697 V CA 1.720 63.872 62.300 -0.246 0.000 1.048 697 V CB -0.644 30.897 31.823 -0.470 0.000 0.666 697 V HN 0.505 nan 8.190 nan 0.000 0.456 698 L N -0.281 120.920 121.223 -0.036 0.000 2.042 698 L HA -0.208 4.295 4.340 0.273 0.000 0.210 698 L C 2.378 179.267 176.870 0.030 0.000 1.076 698 L CA 1.643 56.489 54.840 0.010 0.000 0.749 698 L CB -0.851 41.222 42.059 0.023 0.000 0.893 698 L HN 0.355 nan 8.230 nan 0.000 0.432 699 D N 0.235 120.655 120.400 0.034 0.000 2.097 699 D HA -0.204 4.600 4.640 0.273 0.000 0.195 699 D C 2.197 178.519 176.300 0.036 0.000 0.989 699 D CA 1.105 55.137 54.000 0.053 0.000 0.827 699 D CB -0.257 40.577 40.800 0.057 0.000 0.966 699 D HN 0.267 nan 8.370 nan 0.000 0.456 700 L N 0.011 121.236 121.223 0.004 0.000 2.042 700 L HA -0.170 4.334 4.340 0.273 0.000 0.210 700 L C 2.252 179.127 176.870 0.008 0.000 1.076 700 L CA 1.251 56.090 54.840 -0.001 0.000 0.749 700 L CB -0.139 41.889 42.059 -0.051 0.000 0.893 700 L HN -0.020 nan 8.230 nan 0.000 0.432 701 M N -1.051 118.554 119.600 0.008 0.000 2.476 701 M HA -0.136 4.507 4.480 0.273 0.000 0.262 701 M C 1.974 178.318 176.300 0.073 0.000 1.079 701 M CA 0.777 56.107 55.300 0.050 0.000 1.104 701 M CB -0.094 32.540 32.600 0.057 0.000 1.409 701 M HN 0.306 nan 8.290 nan 0.000 0.467 702 Q N -0.276 119.562 119.800 0.064 0.000 2.226 702 Q HA -0.041 4.462 4.340 0.273 0.000 0.204 702 Q C 2.041 178.059 176.000 0.031 0.000 0.975 702 Q CA 1.497 57.339 55.803 0.065 0.000 0.866 702 Q CB -0.772 28.017 28.738 0.084 0.000 0.915 702 Q HN 0.607 nan 8.270 nan 0.000 0.440 703 G N -0.250 108.571 108.800 0.035 0.000 2.848 703 G HA2 0.160 4.283 3.960 0.273 0.000 0.208 703 G HA3 0.160 4.283 3.960 0.273 0.000 0.208 703 G C 0.801 175.655 174.900 -0.076 0.000 1.152 703 G CA 0.631 45.742 45.100 0.018 0.000 0.789 703 G HN 0.424 nan 8.290 nan 0.000 0.531 704 G N -0.285 108.467 108.800 -0.081 0.000 3.414 704 G HA2 0.501 4.625 3.960 0.273 0.000 0.189 704 G HA3 0.501 4.625 3.960 0.273 0.000 0.189 704 G C -0.862 173.717 174.900 -0.535 0.000 1.329 704 G CA -0.761 44.236 45.100 -0.172 0.000 0.851 704 G HN 0.063 nan 8.290 nan 0.000 0.671 705 F N 1.721 121.708 119.950 0.062 0.000 2.564 705 F HA 0.362 5.052 4.527 0.272 0.000 0.368 705 F C -1.536 174.393 175.800 0.215 0.000 1.127 705 F CA -1.653 56.392 58.000 0.075 0.000 1.170 705 F CB 2.539 41.530 39.000 -0.015 0.000 1.397 705 F HN 0.150 nan 8.300 nan 0.000 0.493 706 P HA -0.032 nan 4.420 nan 0.000 0.221 706 P C 0.103 177.535 177.300 0.220 0.000 1.150 706 P CA 0.743 63.981 63.100 0.230 0.000 0.800 706 P CB 0.454 32.254 31.700 0.166 0.000 0.787 707 S N 0.327 116.180 115.700 0.256 0.000 2.475 707 S HA 0.568 5.201 4.470 0.273 0.000 0.298 707 S C -0.018 174.694 174.600 0.186 0.000 1.119 707 S CA -0.486 57.859 58.200 0.241 0.000 1.085 707 S CB 1.209 64.578 63.200 0.281 0.000 1.028 707 S HN 0.090 nan 8.310 nan 0.000 0.489 708 R N 0.802 121.289 120.500 -0.022 0.000 2.663 708 R HA 0.839 5.343 4.340 0.273 0.000 0.267 708 R C -1.608 174.526 176.300 -0.277 0.000 1.038 708 R CA -0.950 54.919 56.100 -0.385 0.000 0.886 708 R CB 1.543 31.274 30.300 -0.948 0.000 1.249 708 R HN 0.646 nan 8.270 nan 0.000 0.463 709 A N 0.838 123.438 122.820 -0.367 0.000 2.517 709 A HA 0.614 5.098 4.320 0.273 0.000 0.297 709 A C -0.630 176.753 177.584 -0.336 0.000 1.050 709 A CA -0.821 51.082 52.037 -0.223 0.000 0.694 709 A CB 1.576 20.503 19.000 -0.122 0.000 1.277 709 A HN 0.821 nan 8.150 nan 0.000 0.400 710 S N 0.909 116.460 115.700 -0.248 0.000 2.579 710 S HA 0.407 5.041 4.470 0.273 0.000 0.275 710 S C 0.697 175.177 174.600 -0.201 0.000 1.345 710 S CA -0.152 57.846 58.200 -0.337 0.000 1.031 710 S CB -0.158 62.959 63.200 -0.137 0.000 0.892 710 S HN 0.593 nan 8.310 nan 0.000 0.529 711 F N 0.712 120.643 119.950 -0.032 0.000 2.154 711 F HA -0.071 4.620 4.527 0.273 0.000 0.301 711 F C 2.521 178.416 175.800 0.160 0.000 1.087 711 F CA 1.954 59.984 58.000 0.049 0.000 1.274 711 F CB -1.592 37.426 39.000 0.030 0.000 1.009 711 F HN 0.830 nan 8.300 nan 0.000 0.485 712 H N -0.095 119.081 119.070 0.177 0.000 2.387 712 H HA -0.132 4.587 4.556 0.272 0.000 0.299 712 H C 2.237 177.664 175.328 0.165 0.000 1.090 712 H CA 2.086 58.217 56.048 0.139 0.000 1.332 712 H CB -0.194 29.604 29.762 0.060 0.000 1.386 712 H HN 0.402 nan 8.280 nan 0.000 0.516 713 E N -0.230 120.012 120.200 0.070 0.000 2.072 713 E HA -0.121 4.393 4.350 0.273 0.000 0.191 713 E C 2.188 178.848 176.600 0.101 0.000 0.985 713 E CA 0.996 57.413 56.400 0.028 0.000 0.801 713 E CB -0.025 29.718 29.700 0.072 0.000 0.750 713 E HN 0.509 nan 8.360 nan 0.000 0.452 714 L N 0.084 121.451 121.223 0.240 0.000 2.093 714 L HA -0.166 4.337 4.340 0.273 0.000 0.208 714 L C 2.489 179.640 176.870 0.469 0.000 1.085 714 L CA 1.087 56.196 54.840 0.449 0.000 0.755 714 L CB -0.513 41.881 42.059 0.559 0.000 0.904 714 L HN 0.280 nan 8.230 nan 0.000 0.435 715 Y N 1.208 121.607 120.300 0.165 0.000 2.128 715 Y HA -0.267 4.446 4.550 0.272 0.000 0.284 715 Y C 2.475 178.204 175.900 -0.285 0.000 1.154 715 Y CA 1.743 59.702 58.100 -0.235 0.000 1.149 715 Y CB -0.208 38.084 38.460 -0.278 0.000 0.976 715 Y HN 0.197 nan 8.280 nan 0.000 0.505 716 N N -0.193 118.367 118.700 -0.233 0.000 2.331 716 N HA -0.113 4.791 4.740 0.273 0.000 0.180 716 N C 1.772 177.097 175.510 -0.309 0.000 1.019 716 N CA 1.531 54.383 53.050 -0.329 0.000 0.881 716 N CB -0.249 38.085 38.487 -0.255 0.000 0.972 716 N HN 0.483 nan 8.380 nan 0.000 0.435 717 M N -0.935 118.500 119.600 -0.275 0.000 2.200 717 M HA -0.099 4.544 4.480 0.273 0.000 0.265 717 M C 0.726 176.676 176.300 -0.585 0.000 1.066 717 M CA 1.411 56.424 55.300 -0.477 0.000 1.127 717 M CB 0.031 32.230 32.600 -0.668 0.000 1.379 717 M HN 0.080 nan 8.290 nan 0.000 0.420 718 Y N -0.710 119.590 120.300 -0.001 0.000 2.500 718 Y HA 0.144 4.857 4.550 0.273 0.000 0.246 718 Y C 1.863 177.809 175.900 0.076 0.000 1.146 718 Y CA -0.297 57.849 58.100 0.077 0.000 1.230 718 Y CB -0.270 38.443 38.460 0.421 0.000 1.214 718 Y HN 0.169 nan 8.280 nan 0.000 0.526 719 K N 1.400 121.754 120.400 -0.077 0.000 2.211 719 K HA -0.161 4.322 4.320 0.273 0.000 0.203 719 K C 1.690 178.251 176.600 -0.066 0.000 1.050 719 K CA 1.587 57.783 56.287 -0.151 0.000 0.945 719 K CB -0.310 31.691 32.500 -0.832 0.000 0.732 719 K HN 0.290 nan 8.250 nan 0.000 0.451 720 K N 0.527 120.801 120.400 -0.211 0.000 2.281 720 K HA -0.182 4.302 4.320 0.273 0.000 0.203 720 K C 1.198 177.782 176.600 -0.027 0.000 1.046 720 K CA 1.360 57.535 56.287 -0.186 0.000 0.938 720 K CB -0.422 31.889 32.500 -0.317 0.000 0.737 720 K HN 0.402 nan 8.250 nan 0.000 0.458 721 Y N 0.494 120.861 120.300 0.111 0.000 2.523 721 Y HA 0.166 4.879 4.550 0.273 0.000 0.279 721 Y C 0.964 176.921 175.900 0.094 0.000 1.139 721 Y CA -0.998 57.162 58.100 0.099 0.000 1.296 721 Y CB 0.309 38.837 38.460 0.114 0.000 1.045 721 Y HN 0.018 nan 8.280 nan 0.000 0.538 722 M N 0.584 120.342 119.600 0.263 0.000 2.478 722 M HA 0.347 4.990 4.480 0.273 0.000 0.327 722 M C -2.443 173.953 176.300 0.161 0.000 1.187 722 M CA -2.642 52.785 55.300 0.212 0.000 1.022 722 M CB 0.120 32.902 32.600 0.303 0.000 1.629 722 M HN -0.207 nan 8.290 nan 0.000 0.461 723 P HA 0.014 nan 4.420 nan 0.000 0.267 723 P C 0.280 177.653 177.300 0.121 0.000 1.201 723 P CA 0.030 63.192 63.100 0.104 0.000 0.775 723 P CB 0.548 32.299 31.700 0.085 0.000 0.854 724 D N 1.461 121.918 120.400 0.095 0.000 2.158 724 D HA -0.174 4.629 4.640 0.273 0.000 0.197 724 D C 1.652 178.019 176.300 0.112 0.000 0.995 724 D CA 1.349 55.406 54.000 0.094 0.000 0.846 724 D CB 0.016 40.856 40.800 0.068 0.000 0.941 724 D HN 0.459 nan 8.370 nan 0.000 0.456 725 K N 0.013 120.474 120.400 0.102 0.000 2.015 725 K HA -0.207 4.277 4.320 0.273 0.000 0.220 725 K C 2.134 178.824 176.600 0.149 0.000 1.055 725 K CA 1.177 57.526 56.287 0.104 0.000 0.951 725 K CB -0.200 32.353 32.500 0.088 0.000 0.725 725 K HN 0.022 nan 8.250 nan 0.000 0.449 726 L N 0.089 121.425 121.223 0.187 0.000 2.141 726 L HA -0.082 4.422 4.340 0.273 0.000 0.209 726 L C 2.169 179.323 176.870 0.473 0.000 1.094 726 L CA 1.470 56.484 54.840 0.290 0.000 0.763 726 L CB -0.549 41.648 42.059 0.228 0.000 0.908 726 L HN 0.206 nan 8.230 nan 0.000 0.437 727 A N -0.999 122.036 122.820 0.358 0.000 2.172 727 A HA -0.136 4.348 4.320 0.273 0.000 0.216 727 A C 2.400 180.164 177.584 0.300 0.000 1.154 727 A CA 1.071 53.283 52.037 0.292 0.000 0.701 727 A CB -0.466 18.611 19.000 0.128 0.000 0.789 727 A HN 0.340 nan 8.150 nan 0.000 0.465 728 R N -0.979 119.663 120.500 0.237 0.000 2.280 728 R HA 0.262 4.766 4.340 0.273 0.000 0.195 728 R C -0.114 176.266 176.300 0.132 0.000 0.935 728 R CA -0.248 55.949 56.100 0.161 0.000 1.033 728 R CB -0.112 30.249 30.300 0.102 0.000 0.964 728 R HN 0.443 nan 8.270 nan 0.000 0.489 729 L N 2.233 123.573 121.223 0.195 0.000 2.482 729 L HA -0.015 4.488 4.340 0.273 0.000 0.273 729 L C 0.573 177.460 176.870 0.028 0.000 1.228 729 L CA -0.135 54.791 54.840 0.142 0.000 0.827 729 L CB 0.162 42.368 42.059 0.245 0.000 1.099 729 L HN 0.230 nan 8.230 nan 0.000 0.494 730 D N 0.902 121.289 120.400 -0.022 0.000 2.382 730 D HA 0.026 4.829 4.640 0.273 0.000 0.240 730 D C -2.130 174.103 176.300 -0.110 0.000 1.146 730 D CA -1.377 52.554 54.000 -0.115 0.000 0.897 730 D CB 0.891 41.653 40.800 -0.064 0.000 1.197 730 D HN 0.220 nan 8.370 nan 0.000 0.432 731 P HA -0.195 nan 4.420 nan 0.000 0.216 731 P C 1.604 179.001 177.300 0.162 0.000 1.153 731 P CA 1.502 64.561 63.100 -0.068 0.000 0.858 731 P CB -0.002 31.703 31.700 0.008 0.000 0.789 732 R N -0.468 120.037 120.500 0.010 0.000 2.073 732 R HA -0.147 4.356 4.340 0.273 0.000 0.234 732 R C 2.107 178.335 176.300 -0.119 0.000 1.134 732 R CA 1.401 57.300 56.100 -0.335 0.000 0.952 732 R CB -1.073 29.029 30.300 -0.330 0.000 0.850 732 R HN 0.078 nan 8.270 nan 0.000 0.433 733 L N 0.447 121.671 121.223 0.002 0.000 2.093 733 L HA -0.061 4.442 4.340 0.273 0.000 0.208 733 L C 1.992 178.969 176.870 0.178 0.000 1.085 733 L CA 1.486 56.360 54.840 0.056 0.000 0.755 733 L CB -0.758 41.322 42.059 0.035 0.000 0.904 733 L HN 0.227 nan 8.230 nan 0.000 0.435 734 F N -0.171 119.849 119.950 0.116 0.000 2.063 734 F HA -0.370 4.321 4.527 0.272 0.000 0.298 734 F C 2.470 178.432 175.800 0.270 0.000 1.109 734 F CA 2.328 60.465 58.000 0.229 0.000 1.212 734 F CB -0.761 38.456 39.000 0.362 0.000 0.973 734 F HN 0.187 nan 8.300 nan 0.000 0.480 735 C N 0.764 120.324 119.300 0.432 0.000 2.440 735 C HA -0.103 4.520 4.460 0.273 0.000 0.278 735 C C 2.740 177.912 174.990 0.303 0.000 1.295 735 C CA 0.781 60.057 59.018 0.431 0.000 1.738 735 C CB -1.023 26.977 27.740 0.432 0.000 1.987 735 C HN 0.436 nan 8.230 nan 0.000 0.492 736 K N 1.124 121.562 120.400 0.063 0.000 2.026 736 K HA -0.124 4.360 4.320 0.273 0.000 0.208 736 K C 2.289 178.833 176.600 -0.093 0.000 1.048 736 K CA 1.629 57.746 56.287 -0.283 0.000 0.929 736 K CB -0.407 31.958 32.500 -0.225 0.000 0.713 736 K HN 0.476 nan 8.250 nan 0.000 0.439 737 A N 1.470 124.326 122.820 0.060 0.000 1.877 737 A HA -0.179 4.304 4.320 0.273 0.000 0.216 737 A C 2.077 179.576 177.584 -0.141 0.000 1.186 737 A CA 1.238 53.278 52.037 0.005 0.000 0.620 737 A CB -0.555 18.506 19.000 0.103 0.000 0.822 737 A HN 0.241 nan 8.150 nan 0.000 0.443 738 L N -1.627 119.539 121.223 -0.094 0.000 2.046 738 L HA -0.038 4.466 4.340 0.273 0.000 0.208 738 L C 2.138 178.982 176.870 -0.044 0.000 1.077 738 L CA 1.832 56.617 54.840 -0.093 0.000 0.747 738 L CB -0.920 41.103 42.059 -0.061 0.000 0.896 738 L HN 0.344 nan 8.230 nan 0.000 0.432 739 F N -0.108 119.766 119.950 -0.128 0.000 2.206 739 F HA -0.123 4.567 4.527 0.272 0.000 0.298 739 F C 2.496 178.134 175.800 -0.269 0.000 1.090 739 F CA 1.512 59.431 58.000 -0.135 0.000 1.323 739 F CB -0.614 38.348 39.000 -0.062 0.000 1.028 739 F HN 0.081 nan 8.300 nan 0.000 0.492 740 K N 0.862 121.100 120.400 -0.270 0.000 2.001 740 K HA -0.074 4.410 4.320 0.273 0.000 0.208 740 K C 2.180 178.529 176.600 -0.419 0.000 1.048 740 K CA 1.525 57.497 56.287 -0.524 0.000 0.932 740 K CB -0.820 30.968 32.500 -1.186 0.000 0.715 740 K HN 0.073 nan 8.250 nan 0.000 0.437 741 A N 0.619 123.217 122.820 -0.369 0.000 1.948 741 A HA -0.158 4.325 4.320 0.273 0.000 0.220 741 A C 2.169 179.599 177.584 -0.257 0.000 1.177 741 A CA 1.901 53.773 52.037 -0.275 0.000 0.636 741 A CB -0.761 18.108 19.000 -0.218 0.000 0.815 741 A HN 0.358 nan 8.150 nan 0.000 0.449 742 L N -1.309 119.751 121.223 -0.271 0.000 2.418 742 L HA 0.166 4.669 4.340 0.273 0.000 0.218 742 L C 1.476 178.203 176.870 -0.237 0.000 1.125 742 L CA 0.407 55.075 54.840 -0.287 0.000 0.835 742 L CB -0.424 41.434 42.059 -0.335 0.000 0.953 742 L HN 0.592 nan 8.230 nan 0.000 0.454 743 G N 1.581 110.254 108.800 -0.211 0.000 2.351 743 G HA2 -0.267 3.857 3.960 0.273 0.000 0.297 743 G HA3 -0.267 3.857 3.960 0.273 0.000 0.297 743 G C -0.137 174.689 174.900 -0.123 0.000 1.054 743 G CA -0.206 44.804 45.100 -0.150 0.000 1.123 743 G HN 0.193 nan 8.290 nan 0.000 0.512 744 L N 0.001 121.133 121.223 -0.152 0.000 2.371 744 L HA 0.288 4.791 4.340 0.273 0.000 0.272 744 L C 0.990 177.888 176.870 0.045 0.000 1.124 744 L CA -0.940 53.804 54.840 -0.159 0.000 0.816 744 L CB 0.904 42.704 42.059 -0.430 0.000 1.129 744 L HN 0.435 nan 8.230 nan 0.000 0.448 745 N N 1.709 120.522 118.700 0.188 0.000 2.452 745 N HA -0.077 4.826 4.740 0.273 0.000 0.266 745 N C 1.095 176.765 175.510 0.267 0.000 1.209 745 N CA -0.007 53.172 53.050 0.215 0.000 0.929 745 N CB 0.698 39.322 38.487 0.229 0.000 1.063 745 N HN 0.669 nan 8.380 nan 0.000 0.472 746 E N 3.544 123.840 120.200 0.160 0.000 2.409 746 E HA -0.162 4.351 4.350 0.273 0.000 0.198 746 E C 0.972 177.653 176.600 0.135 0.000 1.024 746 E CA 0.813 57.298 56.400 0.141 0.000 0.861 746 E CB -0.209 29.540 29.700 0.081 0.000 0.788 746 E HN 0.719 nan 8.360 nan 0.000 0.521 747 I N 1.639 122.288 120.570 0.131 0.000 2.333 747 I HA -0.168 4.166 4.170 0.273 0.000 0.246 747 I C 1.550 177.744 176.117 0.128 0.000 1.106 747 I CA 1.095 62.462 61.300 0.112 0.000 1.411 747 I CB 0.008 38.056 38.000 0.080 0.000 1.082 747 I HN -0.021 nan 8.210 nan 0.000 0.420 748 D N -0.685 119.776 120.400 0.101 0.000 2.327 748 D HA 0.032 4.835 4.640 0.273 0.000 0.205 748 D C -0.312 175.862 176.300 -0.211 0.000 0.989 748 D CA 0.860 54.819 54.000 -0.068 0.000 0.873 748 D CB 0.327 40.995 40.800 -0.220 0.000 0.955 748 D HN 0.213 nan 8.370 nan 0.000 0.515 749 Y N 0.081 120.459 120.300 0.131 0.000 2.361 749 Y HA 0.456 5.170 4.550 0.273 0.000 0.337 749 Y C -0.112 175.756 175.900 -0.054 0.000 0.965 749 Y CA -1.001 57.114 58.100 0.025 0.000 1.091 749 Y CB 1.745 40.295 38.460 0.151 0.000 1.182 749 Y HN -0.479 nan 8.280 nan 0.000 0.450 750 K N 3.151 123.482 120.400 -0.114 0.000 2.463 750 K HA 0.400 4.883 4.320 0.273 0.000 0.255 750 K C -1.706 174.794 176.600 -0.168 0.000 0.942 750 K CA -0.519 55.651 56.287 -0.194 0.000 0.814 750 K CB 1.026 33.201 32.500 -0.542 0.000 1.122 750 K HN 0.557 nan 8.250 nan 0.000 0.425 751 F N 3.223 123.063 119.950 -0.183 0.000 2.368 751 F HA 0.435 5.126 4.527 0.273 0.000 0.362 751 F C 0.819 176.587 175.800 -0.054 0.000 1.137 751 F CA -0.025 57.884 58.000 -0.152 0.000 1.161 751 F CB 0.392 39.290 39.000 -0.170 0.000 1.265 751 F HN 0.634 nan 8.300 nan 0.000 0.530 752 G N 4.720 113.453 108.800 -0.113 0.000 2.509 752 G HA2 0.175 4.299 3.960 0.273 0.000 0.269 752 G HA3 0.175 4.299 3.960 0.273 0.000 0.269 752 G C 0.777 175.744 174.900 0.111 0.000 1.416 752 G CA -0.571 44.513 45.100 -0.028 0.000 1.052 752 G HN 0.656 nan 8.290 nan 0.000 0.542 753 L N -0.679 120.590 121.223 0.076 0.000 2.127 753 L HA 0.040 4.543 4.340 0.273 0.000 0.203 753 L C 2.943 179.929 176.870 0.192 0.000 1.080 753 L CA 1.927 56.850 54.840 0.138 0.000 0.768 753 L CB -0.114 41.979 42.059 0.057 0.000 0.924 753 L HN 0.742 nan 8.230 nan 0.000 0.444 754 T N -4.700 109.819 114.554 -0.058 0.000 2.969 754 T HA 0.201 4.714 4.350 0.273 0.000 0.250 754 T C 0.597 174.677 174.700 -1.032 0.000 1.021 754 T CA -0.267 61.655 62.100 -0.298 0.000 1.003 754 T CB 0.556 69.330 68.868 -0.158 0.000 1.040 754 T HN 0.031 nan 8.240 nan 0.000 0.492 755 K N 0.546 120.375 120.400 -0.952 0.000 2.512 755 K HA 0.674 5.157 4.320 0.273 0.000 0.263 755 K C -1.673 174.415 176.600 -0.853 0.000 0.966 755 K CA -0.942 54.696 56.287 -1.081 0.000 0.851 755 K CB 3.062 35.112 32.500 -0.750 0.000 1.395 755 K HN -0.123 nan 8.250 nan 0.000 0.440 756 V N 2.473 121.881 119.914 -0.843 0.000 2.461 756 V HA 0.321 4.605 4.120 0.273 0.000 0.275 756 V C -0.665 174.916 176.094 -0.855 0.000 1.047 756 V CA -0.292 61.539 62.300 -0.781 0.000 0.955 756 V CB 0.009 31.308 31.823 -0.872 0.000 0.988 756 V HN 0.492 nan 8.190 nan 0.000 0.471 757 F N 4.626 124.099 119.950 -0.794 0.000 2.422 757 F HA 0.687 5.377 4.527 0.272 0.000 0.333 757 F C -0.174 175.196 175.800 -0.716 0.000 1.095 757 F CA -0.380 57.240 58.000 -0.634 0.000 1.038 757 F CB 1.453 40.020 39.000 -0.721 0.000 1.156 757 F HN 0.309 nan 8.300 nan 0.000 0.483 758 F N 2.159 122.173 119.950 0.106 0.000 2.540 758 F HA 0.544 5.235 4.527 0.272 0.000 0.317 758 F C 0.168 176.113 175.800 0.242 0.000 1.104 758 F CA -1.316 56.749 58.000 0.107 0.000 0.913 758 F CB 1.158 40.172 39.000 0.024 0.000 1.170 758 F HN 0.226 nan 8.300 nan 0.000 0.450 759 R N 1.438 122.126 120.500 0.314 0.000 2.801 759 R HA 0.248 4.751 4.340 0.273 0.000 0.273 759 R C -2.517 173.857 176.300 0.122 0.000 1.080 759 R CA -1.838 54.331 56.100 0.114 0.000 1.197 759 R CB -0.307 29.994 30.300 0.003 0.000 1.109 759 R HN 0.232 nan 8.270 nan 0.000 0.535 760 P HA -0.042 nan 4.420 nan 0.000 0.261 760 P C 0.615 177.982 177.300 0.112 0.000 1.173 760 P CA 1.203 64.370 63.100 0.112 0.000 0.760 760 P CB 0.253 32.012 31.700 0.099 0.000 0.783 761 G N 2.885 111.755 108.800 0.117 0.000 2.184 761 G HA2 -0.292 3.832 3.960 0.273 0.000 0.264 761 G HA3 -0.292 3.832 3.960 0.273 0.000 0.264 761 G C 1.137 176.064 174.900 0.045 0.000 0.975 761 G CA 0.107 45.265 45.100 0.097 0.000 0.642 761 G HN 0.487 nan 8.290 nan 0.000 0.536 762 K N -0.558 119.881 120.400 0.064 0.000 2.356 762 K HA 0.298 4.782 4.320 0.273 0.000 0.195 762 K C 1.807 178.541 176.600 0.224 0.000 1.037 762 K CA 0.284 56.629 56.287 0.096 0.000 1.014 762 K CB -0.171 32.254 32.500 -0.126 0.000 0.815 762 K HN 0.394 nan 8.250 nan 0.000 0.507 763 F N 2.368 122.104 119.950 -0.356 0.000 2.206 763 F HA 0.023 4.714 4.527 0.272 0.000 0.298 763 F C 2.022 177.680 175.800 -0.237 0.000 1.090 763 F CA 0.482 58.015 58.000 -0.778 0.000 1.323 763 F CB -0.631 37.702 39.000 -1.111 0.000 1.028 763 F HN -0.042 nan 8.300 nan 0.000 0.492 764 A N -0.037 122.666 122.820 -0.195 0.000 1.902 764 A HA -0.244 4.239 4.320 0.273 0.000 0.217 764 A C 2.262 179.856 177.584 0.018 0.000 1.181 764 A CA 1.810 53.713 52.037 -0.224 0.000 0.623 764 A CB -0.957 17.797 19.000 -0.410 0.000 0.818 764 A HN 0.503 nan 8.150 nan 0.000 0.443 765 E N -1.437 118.835 120.200 0.119 0.000 2.072 765 E HA -0.173 4.341 4.350 0.273 0.000 0.191 765 E C 1.729 178.451 176.600 0.202 0.000 0.985 765 E CA 1.140 57.644 56.400 0.174 0.000 0.801 765 E CB -0.258 29.585 29.700 0.238 0.000 0.750 765 E HN 0.592 nan 8.360 nan 0.000 0.452 766 F N 1.745 121.817 119.950 0.204 0.000 2.126 766 F HA -0.189 4.502 4.527 0.273 0.000 0.299 766 F C 1.829 177.627 175.800 -0.003 0.000 1.096 766 F CA 2.171 60.233 58.000 0.102 0.000 1.255 766 F CB -0.348 38.821 39.000 0.283 0.000 0.997 766 F HN 0.074 nan 8.300 nan 0.000 0.479 767 D N -0.719 119.739 120.400 0.096 0.000 2.117 767 D HA -0.197 4.606 4.640 0.273 0.000 0.197 767 D C 2.103 178.354 176.300 -0.081 0.000 0.987 767 D CA 1.231 55.255 54.000 0.039 0.000 0.829 767 D CB -0.071 40.795 40.800 0.110 0.000 0.961 767 D HN 0.232 nan 8.370 nan 0.000 0.460 768 Q N -0.021 119.742 119.800 -0.062 0.000 2.084 768 Q HA -0.096 4.408 4.340 0.273 0.000 0.202 768 Q C 2.551 178.465 176.000 -0.143 0.000 0.978 768 Q CA 0.768 56.529 55.803 -0.069 0.000 0.844 768 Q CB -0.319 28.408 28.738 -0.019 0.000 0.898 768 Q HN 0.501 nan 8.270 nan 0.000 0.426 769 I N 0.388 120.831 120.570 -0.212 0.000 2.264 769 I HA -0.277 4.057 4.170 0.273 0.000 0.248 769 I C 2.000 177.897 176.117 -0.368 0.000 1.111 769 I CA 0.912 62.044 61.300 -0.281 0.000 1.382 769 I CB -0.207 37.581 38.000 -0.353 0.000 1.060 769 I HN 0.177 nan 8.210 nan 0.000 0.418 770 M N -0.294 119.016 119.600 -0.482 0.000 2.562 770 M HA -0.081 4.562 4.480 0.273 0.000 0.257 770 M C 1.782 177.853 176.300 -0.382 0.000 1.099 770 M CA 1.492 56.527 55.300 -0.440 0.000 1.099 770 M CB -0.718 31.567 32.600 -0.524 0.000 1.427 770 M HN 0.199 nan 8.290 nan 0.000 0.489 771 K N -0.881 119.353 120.400 -0.277 0.000 2.435 771 K HA 0.097 4.581 4.320 0.273 0.000 0.199 771 K C 1.838 178.323 176.600 -0.192 0.000 1.153 771 K CA 0.523 56.655 56.287 -0.258 0.000 0.974 771 K CB 0.581 33.020 32.500 -0.101 0.000 0.997 771 K HN 0.237 nan 8.250 nan 0.000 0.547 772 S N 0.034 115.644 115.700 -0.149 0.000 2.503 772 S HA 0.012 4.645 4.470 0.273 0.000 0.217 772 S C 0.374 174.926 174.600 -0.080 0.000 0.999 772 S CA 0.357 58.500 58.200 -0.095 0.000 0.914 772 S CB 0.321 63.480 63.200 -0.069 0.000 0.782 772 S HN 0.056 nan 8.310 nan 0.000 0.520 773 D N 0.958 121.304 120.400 -0.089 0.000 2.752 773 D HA 0.341 5.145 4.640 0.273 0.000 0.242 773 D C -2.576 173.693 176.300 -0.051 0.000 1.295 773 D CA -1.522 52.450 54.000 -0.046 0.000 0.846 773 D CB 1.319 42.125 40.800 0.010 0.000 1.454 773 D HN -0.057 nan 8.370 nan 0.000 0.535 774 P HA -0.058 nan 4.420 nan 0.000 0.218 774 P C 0.806 178.084 177.300 -0.036 0.000 1.148 774 P CA 0.858 63.906 63.100 -0.087 0.000 0.822 774 P CB 0.536 32.184 31.700 -0.087 0.000 0.784 775 D N -2.196 118.199 120.400 -0.009 0.000 2.149 775 D HA -0.154 4.649 4.640 0.273 0.000 0.201 775 D C 1.896 178.230 176.300 0.058 0.000 0.972 775 D CA 1.116 55.123 54.000 0.012 0.000 0.835 775 D CB -0.855 39.946 40.800 0.003 0.000 0.966 775 D HN 0.232 nan 8.370 nan 0.000 0.476 776 H N 0.657 119.686 119.070 -0.068 0.000 2.321 776 H HA -0.049 4.670 4.556 0.273 0.000 0.300 776 H C 1.968 177.246 175.328 -0.084 0.000 1.087 776 H CA 0.924 56.928 56.048 -0.073 0.000 1.319 776 H CB -0.560 29.152 29.762 -0.083 0.000 1.379 776 H HN 0.060 nan 8.280 nan 0.000 0.501 777 L N 0.460 121.622 121.223 -0.101 0.000 2.083 777 L HA -0.052 4.451 4.340 0.273 0.000 0.209 777 L C 2.425 179.225 176.870 -0.117 0.000 1.083 777 L CA 2.042 56.768 54.840 -0.191 0.000 0.752 777 L CB -1.204 40.748 42.059 -0.177 0.000 0.899 777 L HN 0.337 nan 8.230 nan 0.000 0.433 778 A N -1.040 121.748 122.820 -0.053 0.000 1.930 778 A HA -0.196 4.288 4.320 0.273 0.000 0.217 778 A C 2.239 179.811 177.584 -0.020 0.000 1.175 778 A CA 1.527 53.549 52.037 -0.024 0.000 0.627 778 A CB -0.575 18.424 19.000 -0.003 0.000 0.815 778 A HN 0.518 nan 8.150 nan 0.000 0.443 779 E N 0.318 120.512 120.200 -0.010 0.000 2.072 779 E HA -0.078 4.435 4.350 0.273 0.000 0.190 779 E C 1.803 178.385 176.600 -0.030 0.000 0.982 779 E CA 1.084 57.485 56.400 0.002 0.000 0.803 779 E CB -0.446 29.279 29.700 0.042 0.000 0.755 779 E HN 0.570 nan 8.360 nan 0.000 0.453 780 L N -0.431 120.739 121.223 -0.087 0.000 2.079 780 L HA -0.171 4.333 4.340 0.273 0.000 0.210 780 L C 2.377 179.182 176.870 -0.109 0.000 1.081 780 L CA 0.837 55.595 54.840 -0.138 0.000 0.752 780 L CB -0.386 41.510 42.059 -0.272 0.000 0.896 780 L HN 0.092 nan 8.230 nan 0.000 0.433 781 V N -0.141 119.719 119.914 -0.089 0.000 2.379 781 V HA -0.241 4.042 4.120 0.273 0.000 0.245 781 V C 2.610 178.695 176.094 -0.014 0.000 1.044 781 V CA 1.581 63.846 62.300 -0.058 0.000 1.036 781 V CB -0.551 31.247 31.823 -0.042 0.000 0.664 781 V HN 0.449 nan 8.190 nan 0.000 0.453 782 K N 0.920 121.318 120.400 -0.003 0.000 2.063 782 K HA -0.210 4.274 4.320 0.273 0.000 0.208 782 K C 2.146 178.763 176.600 0.028 0.000 1.048 782 K CA 1.702 58.001 56.287 0.019 0.000 0.928 782 K CB -0.229 32.282 32.500 0.017 0.000 0.713 782 K HN 0.385 nan 8.250 nan 0.000 0.442 783 R N 0.196 120.702 120.500 0.010 0.000 2.276 783 R HA 0.005 4.508 4.340 0.273 0.000 0.203 783 R C 1.956 178.279 176.300 0.038 0.000 1.017 783 R CA 0.392 56.503 56.100 0.018 0.000 1.010 783 R CB 0.014 30.311 30.300 -0.005 0.000 0.900 783 R HN 0.024 nan 8.270 nan 0.000 0.469 784 V N 1.497 121.426 119.914 0.024 0.000 3.649 784 V HA -0.068 4.216 4.120 0.273 0.000 0.275 784 V C 1.507 177.702 176.094 0.168 0.000 1.281 784 V CA 0.610 62.941 62.300 0.052 0.000 1.143 784 V CB -0.350 31.436 31.823 -0.061 0.000 0.892 784 V HN 0.272 nan 8.190 nan 0.000 0.441 785 N N 0.469 119.256 118.700 0.145 0.000 2.149 785 N HA -0.252 4.651 4.740 0.273 0.000 0.188 785 N C 1.805 177.443 175.510 0.214 0.000 1.019 785 N CA 2.086 55.231 53.050 0.159 0.000 0.857 785 N CB -0.181 38.379 38.487 0.121 0.000 0.997 785 N HN 0.693 nan 8.380 nan 0.000 0.426 786 H N -1.116 118.034 119.070 0.133 0.000 2.256 786 H HA -0.137 4.583 4.556 0.273 0.000 0.299 786 H C 1.755 177.188 175.328 0.176 0.000 1.071 786 H CA 2.320 58.449 56.048 0.134 0.000 1.280 786 H CB -1.005 28.827 29.762 0.116 0.000 1.370 786 H HN 0.475 nan 8.280 nan 0.000 0.490 787 W N 0.447 121.716 121.300 -0.052 0.000 2.325 787 W HA -0.248 4.575 4.660 0.272 0.000 0.299 787 W C 2.148 178.613 176.519 -0.090 0.000 1.215 787 W CA 1.819 59.094 57.345 -0.117 0.000 1.244 787 W CB -0.354 29.078 29.460 -0.046 0.000 1.140 787 W HN 0.392 nan 8.180 nan 0.000 0.523 788 L N 0.316 121.717 121.223 0.297 0.000 2.072 788 L HA -0.043 4.460 4.340 0.273 0.000 0.205 788 L C 2.149 178.998 176.870 -0.036 0.000 1.079 788 L CA 1.815 56.750 54.840 0.158 0.000 0.752 788 L CB -1.105 41.101 42.059 0.245 0.000 0.906 788 L HN 0.049 nan 8.230 nan 0.000 0.436 789 I N -0.888 119.688 120.570 0.011 0.000 2.315 789 I HA -0.293 4.041 4.170 0.273 0.000 0.248 789 I C 2.409 178.549 176.117 0.038 0.000 1.117 789 I CA 1.237 62.556 61.300 0.031 0.000 1.404 789 I CB -0.330 37.738 38.000 0.113 0.000 1.071 789 I HN 0.412 nan 8.210 nan 0.000 0.419 790 C N -0.849 118.388 119.300 -0.105 0.000 2.473 790 C HA -0.137 4.487 4.460 0.273 0.000 0.279 790 C C 3.026 177.913 174.990 -0.172 0.000 1.250 790 C CA 1.330 60.264 59.018 -0.140 0.000 1.713 790 C CB -1.122 26.410 27.740 -0.348 0.000 2.066 790 C HN 0.466 nan 8.230 nan 0.000 0.474 791 S N -0.387 115.052 115.700 -0.436 0.000 2.419 791 S HA -0.198 4.436 4.470 0.273 0.000 0.235 791 S C 1.980 176.443 174.600 -0.229 0.000 1.019 791 S CA 1.264 59.175 58.200 -0.481 0.000 0.982 791 S CB -0.390 62.267 63.200 -0.905 0.000 0.789 791 S HN 0.578 nan 8.310 nan 0.000 0.490 792 R N -0.981 119.422 120.500 -0.162 0.000 2.119 792 R HA -0.007 4.497 4.340 0.273 0.000 0.222 792 R C 1.837 178.062 176.300 -0.126 0.000 1.088 792 R CA 0.794 56.809 56.100 -0.141 0.000 0.984 792 R CB -0.071 30.128 30.300 -0.169 0.000 0.884 792 R HN 0.446 nan 8.270 nan 0.000 0.447 793 W N 1.167 122.421 121.300 -0.077 0.000 2.423 793 W HA -0.066 4.758 4.660 0.273 0.000 0.321 793 W C 2.170 178.684 176.519 -0.008 0.000 1.180 793 W CA 0.903 58.221 57.345 -0.044 0.000 1.322 793 W CB -0.117 29.312 29.460 -0.051 0.000 1.174 793 W HN -0.076 nan 8.180 nan 0.000 0.470 794 K N 0.549 121.110 120.400 0.269 0.000 2.127 794 K HA -0.336 4.148 4.320 0.273 0.000 0.212 794 K C 1.805 178.583 176.600 0.297 0.000 1.050 794 K CA 2.162 58.627 56.287 0.298 0.000 0.929 794 K CB -0.546 32.038 32.500 0.141 0.000 0.715 794 K HN 0.175 nan 8.250 nan 0.000 0.457 795 K N 1.240 121.701 120.400 0.102 0.000 1.991 795 K HA -0.175 4.309 4.320 0.273 0.000 0.212 795 K C 2.130 178.793 176.600 0.105 0.000 1.049 795 K CA 2.022 58.343 56.287 0.058 0.000 0.932 795 K CB -0.175 32.308 32.500 -0.028 0.000 0.717 795 K HN 0.137 nan 8.250 nan 0.000 0.441 796 V N -1.034 118.920 119.914 0.067 0.000 2.626 796 V HA -0.183 4.100 4.120 0.273 0.000 0.252 796 V C 2.104 178.258 176.094 0.099 0.000 1.067 796 V CA 1.527 63.859 62.300 0.052 0.000 1.081 796 V CB -0.712 31.099 31.823 -0.020 0.000 0.686 796 V HN 0.362 nan 8.190 nan 0.000 0.468 797 Q N -0.579 119.313 119.800 0.154 0.000 2.016 797 Q HA -0.115 4.389 4.340 0.273 0.000 0.200 797 Q C 1.928 177.914 176.000 -0.023 0.000 0.978 797 Q CA 2.385 58.230 55.803 0.068 0.000 0.833 797 Q CB -0.253 28.514 28.738 0.049 0.000 0.895 797 Q HN 0.806 nan 8.270 nan 0.000 0.427 798 W N -0.851 120.453 121.300 0.006 0.000 2.525 798 W HA -0.105 4.718 4.660 0.273 0.000 0.259 798 W C 2.299 178.811 176.519 -0.011 0.000 1.253 798 W CA 0.135 57.475 57.345 -0.009 0.000 1.262 798 W CB -0.407 29.041 29.460 -0.021 0.000 1.122 798 W HN 0.314 nan 8.180 nan 0.000 0.607 799 C N 0.048 119.455 119.300 0.177 0.000 2.475 799 C HA -0.095 4.529 4.460 0.273 0.000 0.279 799 C C 3.043 178.063 174.990 0.050 0.000 1.322 799 C CA 1.646 60.722 59.018 0.096 0.000 1.734 799 C CB -1.370 26.408 27.740 0.063 0.000 2.005 799 C HN 0.345 nan 8.230 nan 0.000 0.495 800 S N 0.700 116.417 115.700 0.029 0.000 2.387 800 S HA -0.134 4.499 4.470 0.273 0.000 0.226 800 S C 1.841 176.430 174.600 -0.018 0.000 1.026 800 S CA 1.371 59.572 58.200 0.002 0.000 0.972 800 S CB -0.800 62.398 63.200 -0.003 0.000 0.814 800 S HN 0.531 nan 8.310 nan 0.000 0.477 801 L N 2.124 123.320 121.223 -0.044 0.000 2.131 801 L HA 0.081 4.585 4.340 0.273 0.000 0.210 801 L C 2.285 179.151 176.870 -0.008 0.000 1.092 801 L CA 1.678 56.476 54.840 -0.070 0.000 0.759 801 L CB -1.172 40.777 42.059 -0.183 0.000 0.903 801 L HN 0.337 nan 8.230 nan 0.000 0.435 802 S N -1.549 114.173 115.700 0.037 0.000 2.395 802 S HA -0.044 4.590 4.470 0.273 0.000 0.225 802 S C 1.861 176.471 174.600 0.017 0.000 1.027 802 S CA 1.079 59.306 58.200 0.045 0.000 0.965 802 S CB -0.093 63.149 63.200 0.069 0.000 0.812 802 S HN 0.326 nan 8.310 nan 0.000 0.482 803 V N 1.652 121.573 119.914 0.011 0.000 2.667 803 V HA -0.032 4.251 4.120 0.273 0.000 0.252 803 V C 1.881 177.972 176.094 -0.005 0.000 1.065 803 V CA 1.120 63.421 62.300 0.002 0.000 1.083 803 V CB -0.484 31.340 31.823 0.002 0.000 0.692 803 V HN 0.436 nan 8.190 nan 0.000 0.468 804 I N -0.570 119.993 120.570 -0.010 0.000 2.286 804 I HA -0.164 4.169 4.170 0.273 0.000 0.245 804 I C 2.484 178.592 176.117 -0.016 0.000 1.104 804 I CA 1.323 62.614 61.300 -0.015 0.000 1.397 804 I CB -0.217 37.767 38.000 -0.026 0.000 1.072 804 I HN 0.198 nan 8.210 nan 0.000 0.417 805 K N 0.470 120.860 120.400 -0.017 0.000 2.211 805 K HA -0.088 4.396 4.320 0.273 0.000 0.203 805 K C 2.007 178.585 176.600 -0.037 0.000 1.050 805 K CA 1.063 57.334 56.287 -0.027 0.000 0.945 805 K CB -0.017 32.471 32.500 -0.019 0.000 0.732 805 K HN 0.346 nan 8.250 nan 0.000 0.451 806 L N 0.892 122.101 121.223 -0.024 0.000 2.179 806 L HA -0.095 4.408 4.340 0.273 0.000 0.208 806 L C 2.591 179.449 176.870 -0.020 0.000 1.096 806 L CA 0.880 55.705 54.840 -0.026 0.000 0.779 806 L CB -0.269 41.782 42.059 -0.015 0.000 0.922 806 L HN 0.108 nan 8.230 nan 0.000 0.443 807 K N 0.444 120.837 120.400 -0.011 0.000 2.057 807 K HA -0.163 4.320 4.320 0.273 0.000 0.206 807 K C 1.693 178.296 176.600 0.006 0.000 1.050 807 K CA 1.397 57.683 56.287 -0.001 0.000 0.935 807 K CB 0.033 32.533 32.500 0.000 0.000 0.715 807 K HN 0.271 nan 8.250 nan 0.000 0.439 808 N N 1.210 119.909 118.700 -0.002 0.000 2.309 808 N HA -0.106 4.798 4.740 0.273 0.000 0.182 808 N C 1.485 176.993 175.510 -0.003 0.000 1.018 808 N CA 0.844 53.904 53.050 0.016 0.000 0.876 808 N CB 0.038 38.528 38.487 0.004 0.000 0.972 808 N HN 0.246 nan 8.380 nan 0.000 0.434 809 K N 0.479 120.832 120.400 -0.079 0.000 2.243 809 K HA 0.167 4.651 4.320 0.273 0.000 0.201 809 K C 1.749 178.334 176.600 -0.026 0.000 1.051 809 K CA 0.207 56.394 56.287 -0.166 0.000 0.970 809 K CB 0.113 32.503 32.500 -0.184 0.000 0.755 809 K HN 0.114 nan 8.250 nan 0.000 0.465 810 I N 0.860 121.434 120.570 0.008 0.000 2.493 810 I HA -0.186 4.147 4.170 0.273 0.000 0.254 810 I C 1.569 177.731 176.117 0.076 0.000 1.160 810 I CA 1.001 62.323 61.300 0.036 0.000 1.445 810 I CB 0.048 38.060 38.000 0.020 0.000 1.086 810 I HN -0.075 nan 8.210 nan 0.000 0.433 811 K N 0.796 121.257 120.400 0.101 0.000 3.192 811 K HA 0.131 4.615 4.320 0.273 0.000 0.269 811 K C -0.855 175.894 176.600 0.248 0.000 1.270 811 K CA -0.012 56.352 56.287 0.128 0.000 1.249 811 K CB 0.002 32.562 32.500 0.099 0.000 1.528 811 K HN 0.151 nan 8.250 nan 0.000 0.360 812 Y N 0.000 120.299 120.300 -0.002 0.000 2.660 812 Y HA 0.000 4.714 4.550 0.273 0.000 0.201 812 Y CA 0.000 58.099 58.100 -0.002 0.000 1.940 812 Y CB 0.000 38.459 38.460 -0.001 0.000 1.050 812 Y HN 0.000 nan 8.280 nan 0.000 0.758