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 1j11_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.596 177.584 0.021 0.000 1.274 1 A CA 0.000 51.988 52.037 -0.082 0.000 0.836 1 A CB 0.000 18.941 19.000 -0.098 0.000 0.831 2 V N 1.276 121.151 119.914 -0.065 0.000 2.999 2 V HA 0.220 4.333 4.120 -0.011 0.000 0.307 2 V C 1.004 177.113 176.094 0.026 0.000 1.084 2 V CA 1.355 63.662 62.300 0.011 0.000 1.155 2 V CB 0.377 32.097 31.823 -0.172 0.000 0.975 2 V HN 1.181 nan 8.190 nan 0.000 0.490 3 N N 1.787 120.524 118.700 0.061 0.000 2.782 3 N HA -0.188 4.546 4.740 -0.011 0.000 0.251 3 N C 0.967 176.546 175.510 0.114 0.000 1.101 3 N CA 1.687 54.784 53.050 0.078 0.000 0.764 3 N CB -1.400 37.118 38.487 0.053 0.000 1.122 3 N HN 1.501 nan 8.380 nan 0.000 0.561 4 G N -1.078 107.810 108.800 0.147 0.000 2.175 4 G HA2 -0.436 3.518 3.960 -0.011 0.000 0.265 4 G HA3 -0.436 3.518 3.960 -0.011 0.000 0.265 4 G C 0.397 175.368 174.900 0.118 0.000 0.979 4 G CA 1.536 46.745 45.100 0.182 0.000 0.663 4 G HN 0.887 nan 8.290 nan 0.000 0.533 5 K N -0.438 120.012 120.400 0.083 0.000 2.760 5 K HA 0.797 5.111 4.320 -0.011 0.000 0.285 5 K C 0.982 177.597 176.600 0.024 0.000 1.016 5 K CA -0.356 55.965 56.287 0.056 0.000 1.087 5 K CB 0.582 33.108 32.500 0.042 0.000 1.427 5 K HN 0.563 nan 8.250 nan 0.000 0.524 6 G N -0.375 108.426 108.800 0.002 0.000 3.251 6 G HA2 0.410 4.363 3.960 -0.011 0.000 0.248 6 G HA3 0.410 4.363 3.960 -0.011 0.000 0.248 6 G C -0.645 174.235 174.900 -0.034 0.000 1.320 6 G CA -1.202 43.878 45.100 -0.033 0.000 0.982 6 G HN 0.763 nan 8.290 nan 0.000 0.575 7 M N 0.325 119.882 119.600 -0.071 0.000 2.243 7 M HA 0.332 4.805 4.480 -0.011 0.000 0.341 7 M C 0.045 176.347 176.300 0.003 0.000 1.130 7 M CA -0.557 54.719 55.300 -0.039 0.000 1.162 7 M CB 0.582 33.053 32.600 -0.216 0.000 1.497 7 M HN 0.397 nan 8.290 nan 0.000 0.456 8 N N 3.980 122.732 118.700 0.086 0.000 2.440 8 N HA 0.087 4.821 4.740 -0.011 0.000 0.265 8 N C -1.744 173.821 175.510 0.091 0.000 1.239 8 N CA -1.173 51.938 53.050 0.102 0.000 0.909 8 N CB 0.829 39.418 38.487 0.170 0.000 1.066 8 N HN 0.539 nan 8.380 nan 0.000 0.474 9 P HA -0.065 nan 4.420 nan 0.000 0.225 9 P C -0.136 177.181 177.300 0.028 0.000 1.148 9 P CA 1.039 64.149 63.100 0.017 0.000 0.779 9 P CB 0.432 32.129 31.700 -0.004 0.000 0.780 10 D N -1.594 118.835 120.400 0.049 0.000 2.328 10 D HA -0.016 4.617 4.640 -0.011 0.000 0.221 10 D C 0.552 176.870 176.300 0.029 0.000 1.072 10 D CA -0.354 53.657 54.000 0.018 0.000 0.850 10 D CB -0.678 40.133 40.800 0.019 0.000 0.922 10 D HN 0.229 nan 8.370 nan 0.000 0.516 11 Y N 2.738 123.035 120.300 -0.006 0.000 2.717 11 Y HA -0.032 4.508 4.550 -0.016 0.000 0.330 11 Y C 0.044 175.909 175.900 -0.058 0.000 1.217 11 Y CA 0.241 58.354 58.100 0.021 0.000 1.506 11 Y CB 0.311 38.833 38.460 0.103 0.000 1.268 11 Y HN -0.326 nan 8.280 nan 0.000 0.561 12 K N 5.194 124.985 120.400 -1.015 0.000 2.464 12 K HA 0.698 5.012 4.320 -0.011 0.000 0.253 12 K C -1.384 174.447 176.600 -1.283 0.000 0.933 12 K CA -0.838 54.881 56.287 -0.946 0.000 0.801 12 K CB 2.079 34.251 32.500 -0.547 0.000 1.271 12 K HN 0.659 nan 8.250 nan 0.000 0.430 13 A N 2.832 125.185 122.820 -0.779 0.000 2.305 13 A HA 0.736 5.050 4.320 -0.011 0.000 0.322 13 A C -1.242 176.269 177.584 -0.122 0.000 1.187 13 A CA -0.466 51.360 52.037 -0.351 0.000 0.825 13 A CB 0.346 19.378 19.000 0.053 0.000 1.164 13 A HN 0.638 nan 8.150 nan 0.000 0.498 14 Y N 0.681 121.177 120.300 0.326 0.000 2.598 14 Y HA 0.654 5.197 4.550 -0.012 0.000 0.340 14 Y C -0.346 175.632 175.900 0.130 0.000 1.038 14 Y CA -1.249 57.004 58.100 0.255 0.000 1.100 14 Y CB 2.028 40.555 38.460 0.112 0.000 1.281 14 Y HN 0.594 nan 8.280 nan 0.000 0.488 15 L N 2.402 123.633 121.223 0.014 0.000 2.362 15 L HA 0.523 4.856 4.340 -0.011 0.000 0.275 15 L C -1.055 175.743 176.870 -0.120 0.000 0.998 15 L CA -0.906 53.724 54.840 -0.351 0.000 0.820 15 L CB 1.585 43.086 42.059 -0.931 0.000 1.270 15 L HN 0.650 nan 8.230 nan 0.000 0.415 16 M N 4.284 123.828 119.600 -0.094 0.000 2.188 16 M HA 0.416 4.890 4.480 -0.011 0.000 0.354 16 M C 0.487 176.803 176.300 0.027 0.000 1.342 16 M CA -0.165 55.111 55.300 -0.040 0.000 1.117 16 M CB 1.160 33.733 32.600 -0.045 0.000 1.670 16 M HN 0.865 nan 8.290 nan 0.000 0.466 17 A N 6.078 128.906 122.820 0.014 0.000 2.313 17 A HA 0.580 4.894 4.320 -0.011 0.000 0.261 17 A C -2.466 175.087 177.584 -0.051 0.000 1.090 17 A CA -1.259 50.782 52.037 0.006 0.000 0.807 17 A CB -0.437 18.592 19.000 0.048 0.000 1.055 17 A HN 0.461 nan 8.150 nan 0.000 0.492 18 P HA 0.114 nan 4.420 nan 0.000 0.271 18 P C 0.548 177.851 177.300 0.005 0.000 1.233 18 P CA -0.409 62.653 63.100 -0.063 0.000 0.789 18 P CB 0.362 31.979 31.700 -0.139 0.000 0.951 19 L N 0.236 121.495 121.223 0.061 0.000 2.291 19 L HA 0.010 4.344 4.340 -0.011 0.000 0.214 19 L C 0.846 177.799 176.870 0.138 0.000 1.120 19 L CA 1.675 56.605 54.840 0.150 0.000 0.799 19 L CB -0.992 41.142 42.059 0.123 0.000 0.925 19 L HN 0.317 nan 8.230 nan 0.000 0.446 20 K N -0.345 120.079 120.400 0.040 0.000 2.095 20 K HA 0.274 4.587 4.320 -0.011 0.000 0.252 20 K C 0.066 176.649 176.600 -0.029 0.000 0.977 20 K CA -0.782 55.500 56.287 -0.008 0.000 0.900 20 K CB 0.981 33.455 32.500 -0.043 0.000 1.060 20 K HN -0.128 nan 8.250 nan 0.000 0.449 21 K N 1.675 122.019 120.400 -0.094 0.000 2.436 21 K HA 0.018 4.332 4.320 -0.011 0.000 0.275 21 K C 1.223 177.731 176.600 -0.153 0.000 0.999 21 K CA -0.322 55.867 56.287 -0.163 0.000 0.980 21 K CB 0.343 32.578 32.500 -0.442 0.000 0.919 21 K HN 0.426 nan 8.250 nan 0.000 0.484 22 I N 3.862 124.343 120.570 -0.148 0.000 2.145 22 I HA -0.214 3.950 4.170 -0.011 0.000 0.244 22 I C -0.814 174.986 176.117 -0.528 0.000 1.075 22 I CA 1.564 62.549 61.300 -0.525 0.000 1.332 22 I CB -1.999 35.298 38.000 -1.171 0.000 1.033 22 I HN 0.537 nan 8.210 nan 0.000 0.410 23 P HA -0.134 nan 4.420 nan 0.000 0.222 23 P C 1.431 178.612 177.300 -0.197 0.000 1.147 23 P CA 1.225 64.115 63.100 -0.351 0.000 0.790 23 P CB -0.036 31.561 31.700 -0.171 0.000 0.780 24 E N -1.246 118.851 120.200 -0.172 0.000 2.371 24 E HA -0.015 4.329 4.350 -0.011 0.000 0.194 24 E C 1.403 177.945 176.600 -0.097 0.000 1.012 24 E CA 0.571 56.901 56.400 -0.115 0.000 0.860 24 E CB 0.079 29.716 29.700 -0.105 0.000 0.811 24 E HN 0.141 nan 8.360 nan 0.000 0.502 25 V N -0.415 119.428 119.914 -0.119 0.000 3.085 25 V HA 0.063 4.176 4.120 -0.011 0.000 0.245 25 V C 0.996 177.065 176.094 -0.042 0.000 1.114 25 V CA 0.956 63.218 62.300 -0.063 0.000 1.108 25 V CB 1.262 33.053 31.823 -0.055 0.000 0.798 25 V HN 0.120 nan 8.190 nan 0.000 0.471 26 T N -0.436 114.059 114.554 -0.098 0.000 2.663 26 T HA 0.327 4.670 4.350 -0.011 0.000 0.297 26 T C -1.769 172.842 174.700 -0.147 0.000 1.505 26 T CA -0.048 62.017 62.100 -0.058 0.000 1.024 26 T CB 1.132 70.029 68.868 0.049 0.000 1.865 26 T HN 0.458 nan 8.240 nan 0.000 0.453 27 N N -0.823 117.825 118.700 -0.088 0.000 2.471 27 N HA 0.415 5.148 4.740 -0.011 0.000 0.288 27 N C 0.452 175.921 175.510 -0.069 0.000 1.220 27 N CA -0.819 52.160 53.050 -0.119 0.000 0.893 27 N CB 0.480 38.972 38.487 0.009 0.000 1.256 27 N HN 0.779 nan 8.380 nan 0.000 0.534 28 W N -0.441 120.918 121.300 0.099 0.000 2.363 28 W HA -0.047 4.606 4.660 -0.011 0.000 0.296 28 W C 1.541 178.156 176.519 0.159 0.000 1.212 28 W CA 0.664 58.089 57.345 0.133 0.000 1.260 28 W CB -0.033 29.477 29.460 0.083 0.000 1.131 28 W HN 0.617 nan 8.180 nan 0.000 0.530 29 E N -0.491 119.899 120.200 0.317 0.000 2.106 29 E HA -0.145 4.198 4.350 -0.011 0.000 0.192 29 E C 2.058 178.764 176.600 0.177 0.000 0.984 29 E CA 2.035 58.561 56.400 0.209 0.000 0.806 29 E CB -0.977 28.810 29.700 0.146 0.000 0.750 29 E HN 0.084 nan 8.360 nan 0.000 0.458 30 T N 0.793 115.453 114.554 0.176 0.000 2.737 30 T HA -0.122 4.222 4.350 -0.011 0.000 0.265 30 T C 1.513 176.346 174.700 0.222 0.000 1.038 30 T CA 1.020 63.218 62.100 0.163 0.000 1.144 30 T CB -0.468 68.487 68.868 0.145 0.000 0.866 30 T HN 0.141 nan 8.240 nan 0.000 0.434 31 F N 2.274 122.289 119.950 0.108 0.000 2.120 31 F HA -0.143 4.379 4.527 -0.010 0.000 0.300 31 F C 2.160 178.037 175.800 0.128 0.000 1.095 31 F CA 1.421 59.496 58.000 0.125 0.000 1.249 31 F CB -0.460 38.579 39.000 0.064 0.000 0.995 31 F HN 0.212 nan 8.300 nan 0.000 0.480 32 E N -0.198 120.023 120.200 0.036 0.000 2.077 32 E HA -0.226 4.118 4.350 -0.011 0.000 0.193 32 E C 1.968 178.528 176.600 -0.067 0.000 0.989 32 E CA 1.265 57.610 56.400 -0.091 0.000 0.800 32 E CB -0.278 29.442 29.700 0.035 0.000 0.746 32 E HN 0.427 nan 8.360 nan 0.000 0.452 33 N N 0.975 119.685 118.700 0.017 0.000 2.244 33 N HA -0.129 4.605 4.740 -0.011 0.000 0.183 33 N C 1.185 176.732 175.510 0.061 0.000 1.016 33 N CA 0.950 54.024 53.050 0.040 0.000 0.866 33 N CB -0.115 38.402 38.487 0.050 0.000 0.980 33 N HN 0.153 nan 8.380 nan 0.000 0.430 34 D N 0.877 121.304 120.400 0.045 0.000 2.144 34 D HA -0.017 4.617 4.640 -0.011 0.000 0.200 34 D C 2.179 178.480 176.300 0.001 0.000 0.978 34 D CA 0.362 54.403 54.000 0.068 0.000 0.833 34 D CB -0.120 40.743 40.800 0.104 0.000 0.961 34 D HN 0.227 nan 8.370 nan 0.000 0.470 35 L N 0.302 121.434 121.223 -0.153 0.000 2.056 35 L HA -0.094 4.240 4.340 -0.011 0.000 0.207 35 L C 2.512 179.350 176.870 -0.054 0.000 1.078 35 L CA 1.023 55.750 54.840 -0.189 0.000 0.749 35 L CB -0.254 41.587 42.059 -0.364 0.000 0.901 35 L HN -0.066 nan 8.230 nan 0.000 0.433 36 R N -0.828 119.672 120.500 -0.000 0.000 2.120 36 R HA -0.204 4.129 4.340 -0.011 0.000 0.234 36 R C 2.160 178.555 176.300 0.158 0.000 1.123 36 R CA 1.658 57.795 56.100 0.062 0.000 0.975 36 R CB -0.399 29.942 30.300 0.067 0.000 0.866 36 R HN 0.565 nan 8.270 nan 0.000 0.446 37 W N 1.246 122.530 121.300 -0.028 0.000 2.409 37 W HA -0.120 4.535 4.660 -0.008 0.000 0.299 37 W C 1.924 178.461 176.519 0.031 0.000 1.203 37 W CA 1.059 58.401 57.345 -0.004 0.000 1.298 37 W CB -0.085 29.360 29.460 -0.026 0.000 1.127 37 W HN 0.129 nan 8.180 nan 0.000 0.528 38 A N 1.118 123.903 122.820 -0.059 0.000 1.908 38 A HA -0.290 4.024 4.320 -0.011 0.000 0.218 38 A C 2.014 179.642 177.584 0.073 0.000 1.181 38 A CA 2.155 54.148 52.037 -0.075 0.000 0.627 38 A CB -1.057 17.856 19.000 -0.145 0.000 0.818 38 A HN 0.397 nan 8.150 nan 0.000 0.445 39 K N -0.605 119.817 120.400 0.036 0.000 2.211 39 K HA -0.172 4.141 4.320 -0.011 0.000 0.203 39 K C 2.126 178.727 176.600 0.002 0.000 1.050 39 K CA 1.540 57.859 56.287 0.053 0.000 0.945 39 K CB -0.150 32.366 32.500 0.027 0.000 0.732 39 K HN 0.613 nan 8.250 nan 0.000 0.451 40 Q N 0.193 119.960 119.800 -0.056 0.000 2.297 40 Q HA -0.018 4.316 4.340 -0.011 0.000 0.204 40 Q C 0.534 176.405 176.000 -0.216 0.000 0.962 40 Q CA 0.861 56.607 55.803 -0.095 0.000 0.879 40 Q CB 0.300 29.020 28.738 -0.031 0.000 0.947 40 Q HN 0.328 nan 8.270 nan 0.000 0.462 41 N N -0.951 117.567 118.700 -0.302 0.000 2.320 41 N HA 0.101 4.834 4.740 -0.011 0.000 0.237 41 N C 0.107 175.485 175.510 -0.221 0.000 1.129 41 N CA 0.724 53.595 53.050 -0.300 0.000 0.854 41 N CB 1.390 39.627 38.487 -0.418 0.000 1.083 41 N HN 0.369 nan 8.380 nan 0.000 0.504 42 G N 0.704 109.420 108.800 -0.140 0.000 2.176 42 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.253 42 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.253 42 G C -0.126 174.720 174.900 -0.091 0.000 0.979 42 G CA -0.402 44.625 45.100 -0.120 0.000 0.641 42 G HN 0.248 nan 8.290 nan 0.000 0.530 43 F N 0.043 120.030 119.950 0.062 0.000 2.456 43 F HA 0.556 5.077 4.527 -0.010 0.000 0.358 43 F C 1.310 177.185 175.800 0.126 0.000 1.095 43 F CA -0.403 57.645 58.000 0.080 0.000 1.216 43 F CB 0.783 39.773 39.000 -0.016 0.000 1.125 43 F HN 0.083 nan 8.300 nan 0.000 0.549 44 Y N 2.617 123.070 120.300 0.255 0.000 2.389 44 Y HA 0.518 5.064 4.550 -0.006 0.000 0.292 44 Y C 0.623 176.666 175.900 0.238 0.000 1.117 44 Y CA 0.664 58.888 58.100 0.207 0.000 1.195 44 Y CB 0.166 38.742 38.460 0.193 0.000 1.076 44 Y HN 0.493 nan 8.280 nan 0.000 0.548 45 A N -0.044 122.981 122.820 0.343 0.000 2.594 45 A HA 0.561 4.874 4.320 -0.011 0.000 0.291 45 A C -1.908 175.762 177.584 0.143 0.000 1.105 45 A CA -0.674 51.427 52.037 0.107 0.000 0.694 45 A CB 0.786 19.776 19.000 -0.016 0.000 1.291 45 A HN 0.194 nan 8.150 nan 0.000 0.410 46 I N 1.471 122.073 120.570 0.053 0.000 2.433 46 I HA 0.564 4.727 4.170 -0.011 0.000 0.292 46 I C 0.330 176.462 176.117 0.026 0.000 1.001 46 I CA -0.231 61.110 61.300 0.068 0.000 1.119 46 I CB 1.929 40.022 38.000 0.155 0.000 1.289 46 I HN 0.865 nan 8.210 nan 0.000 0.438 47 T N 4.464 119.007 114.554 -0.019 0.000 2.909 47 T HA 0.606 4.950 4.350 -0.011 0.000 0.286 47 T C -0.593 173.992 174.700 -0.192 0.000 1.002 47 T CA -0.626 61.413 62.100 -0.103 0.000 1.074 47 T CB 1.751 70.576 68.868 -0.072 0.000 0.984 47 T HN 0.471 nan 8.240 nan 0.000 0.495 48 V N 1.701 121.376 119.914 -0.398 0.000 2.891 48 V HA 0.342 4.456 4.120 -0.011 0.000 0.304 48 V C -1.529 174.018 176.094 -0.912 0.000 1.171 48 V CA -0.918 60.987 62.300 -0.658 0.000 0.943 48 V CB 2.148 33.360 31.823 -1.018 0.000 1.037 48 V HN 1.092 nan 8.190 nan 0.000 0.427 49 D N 5.773 125.692 120.400 -0.802 0.000 2.308 49 D HA 0.314 4.948 4.640 -0.011 0.000 0.251 49 D C -0.953 174.707 176.300 -1.068 0.000 1.127 49 D CA 0.507 53.901 54.000 -1.011 0.000 0.876 49 D CB 1.214 41.239 40.800 -1.292 0.000 1.176 49 D HN 0.465 nan 8.370 nan 0.000 0.446 50 F N 1.824 121.370 119.950 -0.672 0.000 2.382 50 F HA 0.241 4.761 4.527 -0.011 0.000 0.361 50 F C -0.139 175.434 175.800 -0.379 0.000 1.109 50 F CA -1.271 56.521 58.000 -0.347 0.000 1.031 50 F CB 0.850 39.783 39.000 -0.111 0.000 1.234 50 F HN 0.234 nan 8.300 nan 0.000 0.445 51 W N 3.647 125.063 121.300 0.194 0.000 2.253 51 W HA 0.035 4.689 4.660 -0.009 0.000 0.322 51 W C 0.875 177.523 176.519 0.216 0.000 1.342 51 W CA -0.555 56.855 57.345 0.108 0.000 1.218 51 W CB 0.422 29.902 29.460 0.033 0.000 1.205 51 W HN 0.638 nan 8.180 nan 0.000 0.551 52 W N 2.692 124.113 121.300 0.203 0.000 2.363 52 W HA -0.111 4.543 4.660 -0.010 0.000 0.296 52 W C 1.889 178.491 176.519 0.139 0.000 1.212 52 W CA 1.925 59.350 57.345 0.133 0.000 1.260 52 W CB -0.951 28.533 29.460 0.040 0.000 1.131 52 W HN 0.488 nan 8.180 nan 0.000 0.530 53 G N -0.186 108.762 108.800 0.247 0.000 2.462 53 G HA2 -0.269 3.685 3.960 -0.011 0.000 0.220 53 G HA3 -0.269 3.685 3.960 -0.011 0.000 0.220 53 G C 1.172 176.130 174.900 0.096 0.000 1.121 53 G CA 1.394 46.520 45.100 0.044 0.000 0.758 53 G HN 0.229 nan 8.290 nan 0.000 0.559 54 D N -0.066 120.458 120.400 0.207 0.000 2.259 54 D HA 0.082 4.716 4.640 -0.011 0.000 0.216 54 D C 2.642 179.034 176.300 0.153 0.000 0.961 54 D CA 0.355 54.456 54.000 0.168 0.000 0.878 54 D CB -0.182 40.750 40.800 0.221 0.000 1.009 54 D HN 0.268 nan 8.370 nan 0.000 0.490 55 M N -0.089 119.639 119.600 0.213 0.000 2.394 55 M HA -0.008 4.466 4.480 -0.011 0.000 0.264 55 M C 0.785 177.187 176.300 0.171 0.000 1.073 55 M CA 1.028 56.394 55.300 0.111 0.000 1.111 55 M CB 0.314 33.016 32.600 0.170 0.000 1.401 55 M HN -0.134 nan 8.290 nan 0.000 0.448 56 E N 0.246 120.618 120.200 0.287 0.000 4.170 56 E HA 0.053 4.397 4.350 -0.011 0.000 0.199 56 E C 0.743 177.506 176.600 0.271 0.000 1.080 56 E CA -0.072 56.487 56.400 0.266 0.000 1.446 56 E CB 0.541 30.568 29.700 0.546 0.000 1.170 56 E HN 0.186 nan 8.360 nan 0.000 0.429 57 K N 0.357 120.850 120.400 0.155 0.000 2.025 57 K HA -0.098 4.215 4.320 -0.011 0.000 0.207 57 K C 1.040 177.754 176.600 0.190 0.000 1.049 57 K CA 1.880 58.253 56.287 0.144 0.000 0.933 57 K CB 0.105 32.645 32.500 0.066 0.000 0.714 57 K HN 0.201 nan 8.250 nan 0.000 0.438 58 N N -0.708 118.021 118.700 0.048 0.000 2.457 58 N HA 0.048 4.781 4.740 -0.011 0.000 0.180 58 N C 0.313 175.683 175.510 -0.233 0.000 1.050 58 N CA 0.424 53.450 53.050 -0.040 0.000 0.906 58 N CB 0.689 39.134 38.487 -0.070 0.000 0.968 58 N HN 0.294 nan 8.380 nan 0.000 0.445 59 G N -0.171 108.290 108.800 -0.565 0.000 2.321 59 G HA2 -0.007 3.947 3.960 -0.011 0.000 0.298 59 G HA3 -0.007 3.947 3.960 -0.011 0.000 0.298 59 G C -2.073 171.921 174.900 -1.510 0.000 1.385 59 G CA -0.947 43.398 45.100 -1.259 0.000 0.856 59 G HN -0.052 nan 8.290 nan 0.000 0.584 60 D N 0.705 120.087 120.400 -1.696 0.000 2.487 60 D HA 0.327 4.961 4.640 -0.011 0.000 0.243 60 D C 1.045 176.943 176.300 -0.670 0.000 1.154 60 D CA 1.062 54.356 54.000 -1.175 0.000 0.876 60 D CB 0.492 40.873 40.800 -0.699 0.000 1.161 60 D HN 0.478 nan 8.370 nan 0.000 0.478 61 Q N 1.457 120.858 119.800 -0.664 0.000 2.460 61 Q HA -0.260 4.074 4.340 -0.011 0.000 0.248 61 Q C -0.544 175.007 176.000 -0.747 0.000 0.847 61 Q CA 0.907 56.252 55.803 -0.765 0.000 1.214 61 Q CB -1.889 26.690 28.738 -0.264 0.000 1.523 61 Q HN 0.761 nan 8.270 nan 0.000 0.602 62 Q N 0.157 119.544 119.800 -0.687 0.000 2.771 62 Q HA 0.411 4.745 4.340 -0.011 0.000 0.239 62 Q C -0.274 175.531 176.000 -0.325 0.000 1.231 62 Q CA -0.196 55.377 55.803 -0.384 0.000 1.056 62 Q CB 0.066 28.625 28.738 -0.299 0.000 1.284 62 Q HN 0.156 nan 8.270 nan 0.000 0.558 63 F N 0.707 120.629 119.950 -0.047 0.000 2.406 63 F HA 0.206 4.727 4.527 -0.010 0.000 0.327 63 F C 0.739 176.386 175.800 -0.256 0.000 1.153 63 F CA -0.366 57.521 58.000 -0.188 0.000 1.218 63 F CB 0.770 39.668 39.000 -0.170 0.000 1.215 63 F HN 0.228 nan 8.300 nan 0.000 0.570 64 D N 1.120 121.365 120.400 -0.258 0.000 2.365 64 D HA 0.232 4.866 4.640 -0.011 0.000 0.235 64 D C -0.847 175.262 176.300 -0.319 0.000 1.368 64 D CA -0.354 53.541 54.000 -0.175 0.000 1.001 64 D CB 0.137 40.915 40.800 -0.037 0.000 1.364 64 D HN 0.327 nan 8.370 nan 0.000 0.577 65 F N 1.466 121.480 119.950 0.106 0.000 2.654 65 F HA 0.105 4.626 4.527 -0.010 0.000 0.303 65 F C 2.312 178.092 175.800 -0.033 0.000 1.099 65 F CA -0.182 57.820 58.000 0.003 0.000 1.270 65 F CB 0.485 39.438 39.000 -0.078 0.000 1.024 65 F HN 0.291 nan 8.300 nan 0.000 0.548 66 S N -0.235 115.552 115.700 0.146 0.000 2.370 66 S HA -0.325 4.139 4.470 -0.011 0.000 0.226 66 S C 1.954 176.617 174.600 0.105 0.000 1.033 66 S CA 1.354 59.620 58.200 0.111 0.000 1.011 66 S CB -0.949 62.320 63.200 0.116 0.000 0.852 66 S HN 0.521 nan 8.310 nan 0.000 0.457 67 Y N 2.858 123.193 120.300 0.057 0.000 2.163 67 Y HA 0.130 4.674 4.550 -0.010 0.000 0.288 67 Y C 2.696 178.624 175.900 0.048 0.000 1.136 67 Y CA 0.733 58.904 58.100 0.118 0.000 1.147 67 Y CB -1.106 37.465 38.460 0.184 0.000 0.987 67 Y HN 0.304 nan 8.280 nan 0.000 0.509 68 A N 0.264 122.934 122.820 -0.251 0.000 1.908 68 A HA -0.280 4.034 4.320 -0.011 0.000 0.218 68 A C 2.102 179.383 177.584 -0.506 0.000 1.181 68 A CA 2.156 53.757 52.037 -0.726 0.000 0.627 68 A CB -0.741 17.688 19.000 -0.951 0.000 0.818 68 A HN 0.696 nan 8.150 nan 0.000 0.445 69 Q N -1.549 118.015 119.800 -0.393 0.000 2.123 69 Q HA -0.144 4.190 4.340 -0.011 0.000 0.199 69 Q C 2.349 178.017 176.000 -0.554 0.000 0.966 69 Q CA 1.368 56.853 55.803 -0.530 0.000 0.845 69 Q CB -0.144 28.476 28.738 -0.196 0.000 0.907 69 Q HN 0.538 nan 8.270 nan 0.000 0.439 70 R N 0.689 120.949 120.500 -0.399 0.000 2.075 70 R HA -0.127 4.206 4.340 -0.011 0.000 0.232 70 R C 1.738 177.575 176.300 -0.771 0.000 1.126 70 R CA 1.264 57.036 56.100 -0.548 0.000 0.963 70 R CB -0.712 29.300 30.300 -0.480 0.000 0.858 70 R HN 0.253 nan 8.270 nan 0.000 0.435 71 F N 0.471 119.989 119.950 -0.721 0.000 2.069 71 F HA -0.155 4.365 4.527 -0.012 0.000 0.298 71 F C 2.047 177.699 175.800 -0.247 0.000 1.113 71 F CA 1.955 59.711 58.000 -0.408 0.000 1.214 71 F CB -0.577 38.309 39.000 -0.189 0.000 0.978 71 F HN 0.148 nan 8.300 nan 0.000 0.474 72 A N -0.402 122.362 122.820 -0.093 0.000 1.940 72 A HA -0.289 4.025 4.320 -0.011 0.000 0.219 72 A C 2.031 179.466 177.584 -0.249 0.000 1.176 72 A CA 1.856 53.769 52.037 -0.206 0.000 0.631 72 A CB -0.979 17.669 19.000 -0.587 0.000 0.814 72 A HN 0.547 nan 8.150 nan 0.000 0.446 73 Q N 0.178 119.764 119.800 -0.356 0.000 2.084 73 Q HA -0.107 4.227 4.340 -0.011 0.000 0.202 73 Q C 2.229 178.145 176.000 -0.140 0.000 0.978 73 Q CA 2.267 57.983 55.803 -0.145 0.000 0.844 73 Q CB -0.526 28.116 28.738 -0.161 0.000 0.898 73 Q HN 0.544 nan 8.270 nan 0.000 0.426 74 S N -1.028 114.531 115.700 -0.235 0.000 2.368 74 S HA -0.093 4.371 4.470 -0.011 0.000 0.224 74 S C 1.874 176.422 174.600 -0.085 0.000 1.029 74 S CA 1.083 59.222 58.200 -0.102 0.000 0.988 74 S CB -0.301 62.940 63.200 0.069 0.000 0.838 74 S HN 0.270 nan 8.310 nan 0.000 0.462 75 V N 1.821 121.666 119.914 -0.115 0.000 2.332 75 V HA -0.213 3.901 4.120 -0.011 0.000 0.248 75 V C 2.364 178.424 176.094 -0.057 0.000 1.055 75 V CA 1.890 64.131 62.300 -0.098 0.000 1.038 75 V CB -0.505 31.311 31.823 -0.011 0.000 0.651 75 V HN 0.416 nan 8.190 nan 0.000 0.450 76 K N 0.116 120.503 120.400 -0.022 0.000 2.057 76 K HA -0.195 4.119 4.320 -0.011 0.000 0.207 76 K C 2.006 178.601 176.600 -0.009 0.000 1.049 76 K CA 1.731 58.023 56.287 0.008 0.000 0.931 76 K CB -0.148 32.390 32.500 0.063 0.000 0.714 76 K HN 0.442 nan 8.250 nan 0.000 0.440 77 N N 0.534 119.222 118.700 -0.020 0.000 2.188 77 N HA -0.123 4.610 4.740 -0.011 0.000 0.184 77 N C 1.424 176.922 175.510 -0.021 0.000 1.018 77 N CA 1.368 54.409 53.050 -0.015 0.000 0.858 77 N CB -0.317 38.164 38.487 -0.010 0.000 0.989 77 N HN 0.268 nan 8.380 nan 0.000 0.426 78 A N 0.035 122.827 122.820 -0.047 0.000 2.206 78 A HA 0.323 4.636 4.320 -0.011 0.000 0.211 78 A C 1.377 178.936 177.584 -0.043 0.000 1.158 78 A CA 0.865 52.868 52.037 -0.057 0.000 0.761 78 A CB -0.584 18.342 19.000 -0.123 0.000 0.801 78 A HN 0.336 nan 8.150 nan 0.000 0.473 79 G N -1.584 107.194 108.800 -0.037 0.000 2.225 79 G HA2 -0.213 3.740 3.960 -0.011 0.000 0.264 79 G HA3 -0.213 3.740 3.960 -0.011 0.000 0.264 79 G C 0.037 174.904 174.900 -0.054 0.000 1.060 79 G CA 0.695 45.777 45.100 -0.030 0.000 0.833 79 G HN 0.288 nan 8.290 nan 0.000 0.498 80 M N -1.346 118.209 119.600 -0.076 0.000 2.852 80 M HA 0.620 5.093 4.480 -0.011 0.000 0.301 80 M C 0.231 176.452 176.300 -0.132 0.000 1.229 80 M CA -0.568 54.664 55.300 -0.113 0.000 0.832 80 M CB 1.689 34.224 32.600 -0.108 0.000 1.726 80 M HN -0.000 nan 8.290 nan 0.000 0.497 81 K N 1.425 121.707 120.400 -0.198 0.000 2.295 81 K HA 0.778 5.092 4.320 -0.011 0.000 0.239 81 K C -0.764 175.783 176.600 -0.088 0.000 0.991 81 K CA -0.530 55.646 56.287 -0.186 0.000 0.845 81 K CB 2.354 34.616 32.500 -0.396 0.000 1.197 81 K HN 0.814 nan 8.250 nan 0.000 0.441 82 M N -0.747 118.828 119.600 -0.042 0.000 2.593 82 M HA 0.605 5.078 4.480 -0.011 0.000 0.290 82 M C -1.116 175.135 176.300 -0.081 0.000 1.244 82 M CA -0.842 54.462 55.300 0.006 0.000 0.857 82 M CB 1.945 34.643 32.600 0.163 0.000 1.738 82 M HN 0.384 nan 8.290 nan 0.000 0.461 83 I N 3.025 123.523 120.570 -0.121 0.000 2.563 83 I HA 0.383 4.547 4.170 -0.011 0.000 0.276 83 I C -2.396 173.608 176.117 -0.189 0.000 1.074 83 I CA -1.742 59.445 61.300 -0.188 0.000 1.124 83 I CB 1.743 39.590 38.000 -0.254 0.000 1.225 83 I HN 0.461 nan 8.210 nan 0.000 0.482 84 P HA 0.238 nan 4.420 nan 0.000 0.271 84 P C -0.568 176.555 177.300 -0.296 0.000 1.216 84 P CA 0.096 63.042 63.100 -0.256 0.000 0.776 84 P CB 1.412 33.205 31.700 0.154 0.000 0.881 85 I N 3.906 124.235 120.570 -0.403 0.000 2.355 85 I HA 0.223 4.387 4.170 -0.011 0.000 0.288 85 I C 0.607 176.495 176.117 -0.383 0.000 0.999 85 I CA -1.026 60.083 61.300 -0.319 0.000 1.163 85 I CB 1.317 39.109 38.000 -0.346 0.000 1.316 85 I HN 0.097 nan 8.210 nan 0.000 0.454 86 I N 5.305 125.665 120.570 -0.351 0.000 2.278 86 I HA 0.043 4.207 4.170 -0.011 0.000 0.300 86 I C 0.560 176.544 176.117 -0.222 0.000 1.174 86 I CA 0.293 61.393 61.300 -0.333 0.000 1.347 86 I CB -0.718 37.093 38.000 -0.315 0.000 1.473 86 I HN 0.468 nan 8.210 nan 0.000 0.595 87 S N 4.046 119.571 115.700 -0.293 0.000 3.065 87 S HA 0.053 4.517 4.470 -0.011 0.000 0.311 87 S C 1.441 176.005 174.600 -0.059 0.000 1.204 87 S CA -0.360 57.663 58.200 -0.294 0.000 1.040 87 S CB -0.416 62.220 63.200 -0.941 0.000 1.436 87 S HN 0.705 nan 8.310 nan 0.000 0.532 88 T N -0.010 114.559 114.554 0.024 0.000 3.366 88 T HA 0.069 4.412 4.350 -0.011 0.000 0.249 88 T C 0.402 175.351 174.700 0.416 0.000 1.028 88 T CA -0.428 61.740 62.100 0.114 0.000 0.938 88 T CB -0.608 67.953 68.868 -0.511 0.000 1.046 88 T HN 0.752 nan 8.240 nan 0.000 0.587 89 H N -1.235 118.059 119.070 0.373 0.000 2.834 89 H HA 0.489 5.039 4.556 -0.011 0.000 0.369 89 H C -0.823 174.736 175.328 0.384 0.000 1.174 89 H CA -1.109 55.154 56.048 0.358 0.000 1.165 89 H CB 1.318 31.250 29.762 0.282 0.000 1.820 89 H HN 0.226 nan 8.280 nan 0.000 0.558 90 Q N 1.067 121.046 119.800 0.298 0.000 2.313 90 Q HA 0.233 4.566 4.340 -0.011 0.000 0.266 90 Q C -0.845 175.111 176.000 -0.072 0.000 0.989 90 Q CA -0.435 55.410 55.803 0.070 0.000 0.890 90 Q CB 0.627 29.413 28.738 0.080 0.000 1.200 90 Q HN 0.577 nan 8.270 nan 0.000 0.396 91 c N 4.241 122.506 118.600 -0.559 0.000 2.347 91 c HA 0.827 5.391 4.570 -0.011 0.000 0.353 91 c C 0.209 174.072 174.090 -0.378 0.000 1.273 91 c CA 1.088 56.945 56.329 -0.787 0.000 1.861 91 c CB -0.893 40.565 42.510 -1.753 0.000 2.420 91 c HN 1.006 nan 8.230 nan 0.000 0.542 92 G N 3.943 112.631 108.800 -0.187 0.000 3.363 92 G HA2 0.474 4.427 3.960 -0.011 0.000 0.685 92 G HA3 0.474 4.427 3.960 -0.011 0.000 0.685 92 G C 0.375 175.242 174.900 -0.056 0.000 1.199 92 G CA 0.216 45.245 45.100 -0.118 0.000 0.946 92 G HN 2.343 nan 8.290 nan 0.000 0.558 93 G N 1.614 110.396 108.800 -0.031 0.000 2.391 93 G HA2 -0.187 3.767 3.960 -0.011 0.000 0.204 93 G HA3 -0.187 3.767 3.960 -0.011 0.000 0.204 93 G C 0.301 175.205 174.900 0.007 0.000 1.012 93 G CA 0.480 45.572 45.100 -0.013 0.000 0.651 93 G HN 1.213 nan 8.290 nan 0.000 0.494 94 N N 0.700 119.414 118.700 0.022 0.000 2.463 94 N HA 0.442 5.176 4.740 -0.011 0.000 0.270 94 N C 0.601 176.136 175.510 0.042 0.000 1.205 94 N CA -0.106 52.969 53.050 0.042 0.000 0.974 94 N CB 1.743 40.265 38.487 0.059 0.000 1.197 94 N HN 0.137 nan 8.380 nan 0.000 0.504 95 V N 1.048 120.994 119.914 0.053 0.000 2.583 95 V HA 0.032 4.145 4.120 -0.011 0.000 0.302 95 V C 1.556 177.671 176.094 0.034 0.000 1.033 95 V CA 1.342 63.663 62.300 0.034 0.000 1.194 95 V CB -0.317 31.523 31.823 0.028 0.000 0.879 95 V HN 1.072 nan 8.190 nan 0.000 0.482 96 G N 3.903 112.716 108.800 0.022 0.000 2.179 96 G HA2 -0.213 3.741 3.960 -0.011 0.000 0.260 96 G HA3 -0.213 3.741 3.960 -0.011 0.000 0.260 96 G C -0.090 174.828 174.900 0.030 0.000 0.977 96 G CA 0.089 45.205 45.100 0.027 0.000 0.641 96 G HN 0.727 nan 8.290 nan 0.000 0.533 97 D N 1.084 121.497 120.400 0.023 0.000 2.346 97 D HA 0.431 5.065 4.640 -0.011 0.000 0.260 97 D C -0.042 176.249 176.300 -0.015 0.000 1.252 97 D CA 0.173 54.178 54.000 0.008 0.000 0.895 97 D CB 1.146 41.943 40.800 -0.006 0.000 1.097 97 D HN 0.166 nan 8.370 nan 0.000 0.489 98 D N 2.529 122.920 120.400 -0.016 0.000 2.863 98 D HA 0.205 4.839 4.640 -0.011 0.000 0.323 98 D C -0.945 175.321 176.300 -0.057 0.000 1.286 98 D CA -0.468 53.516 54.000 -0.026 0.000 0.921 98 D CB -0.452 40.346 40.800 -0.003 0.000 1.024 98 D HN 0.410 nan 8.370 nan 0.000 0.505 99 c N 0.136 118.676 118.600 -0.099 0.000 3.259 99 c HA 0.718 5.281 4.570 -0.011 0.000 0.344 99 c C -1.013 172.962 174.090 -0.191 0.000 1.401 99 c CA -1.161 55.071 56.329 -0.162 0.000 1.219 99 c CB 1.200 43.565 42.510 -0.243 0.000 1.521 99 c HN 0.330 nan 8.230 nan 0.000 0.455 100 N N -0.204 118.357 118.700 -0.231 0.000 2.732 100 N HA 0.545 5.279 4.740 -0.011 0.000 0.247 100 N C -1.590 173.766 175.510 -0.256 0.000 1.305 100 N CA -0.214 52.711 53.050 -0.208 0.000 0.762 100 N CB 1.224 39.630 38.487 -0.135 0.000 1.361 100 N HN 0.829 nan 8.380 nan 0.000 0.545 101 V N 4.339 124.031 119.914 -0.370 0.000 2.383 101 V HA 0.463 4.576 4.120 -0.011 0.000 0.264 101 V C -2.087 173.845 176.094 -0.270 0.000 1.001 101 V CA -1.128 60.950 62.300 -0.371 0.000 0.828 101 V CB 1.004 32.439 31.823 -0.648 0.000 1.069 101 V HN 0.456 nan 8.190 nan 0.000 0.451 102 P HA 0.334 nan 4.420 nan 0.000 0.274 102 P C 0.259 177.520 177.300 -0.064 0.000 1.246 102 P CA -0.279 62.782 63.100 -0.065 0.000 0.795 102 P CB 1.462 33.143 31.700 -0.033 0.000 1.006 103 I N -2.372 118.178 120.570 -0.033 0.000 2.779 103 I HA 0.273 4.437 4.170 -0.011 0.000 0.285 103 I C -2.315 173.533 176.117 -0.449 0.000 1.134 103 I CA -2.528 58.626 61.300 -0.244 0.000 1.398 103 I CB -0.935 36.916 38.000 -0.248 0.000 1.404 103 I HN 0.094 nan 8.210 nan 0.000 0.587 104 P HA -0.064 nan 4.420 nan 0.000 0.257 104 P C 0.690 177.498 177.300 -0.820 0.000 1.162 104 P CA 0.418 63.005 63.100 -0.855 0.000 0.762 104 P CB 0.554 31.412 31.700 -1.403 0.000 0.753 105 S N 4.007 119.518 115.700 -0.314 0.000 2.419 105 S HA -0.171 4.293 4.470 -0.011 0.000 0.235 105 S C 1.649 176.218 174.600 -0.053 0.000 1.019 105 S CA 0.541 58.727 58.200 -0.024 0.000 0.982 105 S CB -1.065 62.184 63.200 0.081 0.000 0.789 105 S HN 0.676 nan 8.310 nan 0.000 0.490 106 W N 1.636 122.874 121.300 -0.104 0.000 2.392 106 W HA 0.028 4.682 4.660 -0.011 0.000 0.279 106 W C 1.375 177.801 176.519 -0.155 0.000 1.225 106 W CA 0.544 57.829 57.345 -0.099 0.000 1.233 106 W CB -1.115 28.278 29.460 -0.112 0.000 1.122 106 W HN 0.163 nan 8.180 nan 0.000 0.561 107 V N 1.196 120.593 119.914 -0.862 0.000 2.332 107 V HA -0.319 3.794 4.120 -0.011 0.000 0.248 107 V C 2.175 177.966 176.094 -0.506 0.000 1.055 107 V CA 2.517 64.292 62.300 -0.875 0.000 1.038 107 V CB -1.190 29.795 31.823 -1.395 0.000 0.651 107 V HN 0.213 nan 8.190 nan 0.000 0.450 108 W N 0.776 121.986 121.300 -0.149 0.000 2.392 108 W HA -0.136 4.518 4.660 -0.010 0.000 0.279 108 W C 2.177 178.699 176.519 0.005 0.000 1.225 108 W CA 1.163 58.478 57.345 -0.050 0.000 1.233 108 W CB -0.877 28.550 29.460 -0.055 0.000 1.122 108 W HN 0.349 nan 8.180 nan 0.000 0.561 109 N N 0.146 118.955 118.700 0.182 0.000 2.512 109 N HA -0.142 4.592 4.740 -0.011 0.000 0.183 109 N C 1.488 177.065 175.510 0.112 0.000 1.073 109 N CA 0.494 53.633 53.050 0.148 0.000 0.911 109 N CB -0.238 38.333 38.487 0.140 0.000 0.964 109 N HN 0.133 nan 8.380 nan 0.000 0.447 110 Q N 0.529 120.383 119.800 0.091 0.000 2.437 110 Q HA 0.065 4.399 4.340 -0.011 0.000 0.210 110 Q C 0.042 176.067 176.000 0.043 0.000 0.972 110 Q CA 1.125 56.969 55.803 0.069 0.000 0.903 110 Q CB 0.224 28.995 28.738 0.055 0.000 0.967 110 Q HN 0.293 nan 8.270 nan 0.000 0.486 111 K N -0.206 120.225 120.400 0.052 0.000 2.469 111 K HA 0.269 4.583 4.320 -0.011 0.000 0.254 111 K C 0.285 176.916 176.600 0.052 0.000 0.939 111 K CA -0.224 56.077 56.287 0.024 0.000 0.812 111 K CB 2.017 34.502 32.500 -0.025 0.000 1.301 111 K HN -0.073 nan 8.250 nan 0.000 0.433 112 S N -0.988 114.731 115.700 0.031 0.000 2.556 112 S HA 0.040 4.503 4.470 -0.011 0.000 0.216 112 S C 0.222 174.849 174.600 0.045 0.000 0.970 112 S CA -0.118 58.110 58.200 0.047 0.000 0.912 112 S CB -0.250 62.974 63.200 0.039 0.000 0.790 112 S HN 0.628 nan 8.310 nan 0.000 0.504 113 D N 0.799 121.206 120.400 0.011 0.000 2.654 113 D HA 0.308 4.942 4.640 -0.011 0.000 0.255 113 D C -0.643 175.627 176.300 -0.050 0.000 1.101 113 D CA -0.768 53.227 54.000 -0.007 0.000 1.116 113 D CB 0.142 40.918 40.800 -0.040 0.000 1.348 113 D HN 0.054 nan 8.370 nan 0.000 0.609 114 D N -1.552 118.780 120.400 -0.114 0.000 2.538 114 D HA 0.027 4.660 4.640 -0.011 0.000 0.234 114 D C 0.971 176.943 176.300 -0.547 0.000 1.191 114 D CA -0.168 53.572 54.000 -0.432 0.000 0.828 114 D CB -0.322 40.281 40.800 -0.328 0.000 0.981 114 D HN 0.235 nan 8.370 nan 0.000 0.490 115 S N -0.355 115.049 115.700 -0.492 0.000 2.461 115 S HA -0.035 4.429 4.470 -0.011 0.000 0.228 115 S C 1.711 176.057 174.600 -0.424 0.000 1.005 115 S CA 0.037 57.804 58.200 -0.721 0.000 0.942 115 S CB -0.530 61.756 63.200 -1.523 0.000 0.776 115 S HN 0.359 nan 8.310 nan 0.000 0.514 116 L N 0.181 121.246 121.223 -0.264 0.000 2.418 116 L HA 0.248 4.581 4.340 -0.011 0.000 0.218 116 L C 0.928 177.879 176.870 0.135 0.000 1.125 116 L CA 0.051 54.877 54.840 -0.023 0.000 0.835 116 L CB -0.405 41.761 42.059 0.178 0.000 0.953 116 L HN 0.538 nan 8.230 nan 0.000 0.454 117 Y N -2.972 117.348 120.300 0.034 0.000 2.773 117 Y HA 0.692 5.236 4.550 -0.011 0.000 0.323 117 Y C -0.578 175.210 175.900 -0.188 0.000 1.183 117 Y CA -2.249 55.827 58.100 -0.041 0.000 1.144 117 Y CB 0.342 38.809 38.460 0.013 0.000 1.340 117 Y HN -0.294 nan 8.280 nan 0.000 0.531 118 F N 0.478 120.689 119.950 0.436 0.000 2.483 118 F HA 0.655 5.175 4.527 -0.011 0.000 0.329 118 F C -0.128 175.899 175.800 0.377 0.000 1.064 118 F CA -0.936 57.264 58.000 0.333 0.000 0.986 118 F CB 2.063 41.227 39.000 0.274 0.000 1.218 118 F HN 0.427 nan 8.300 nan 0.000 0.484 119 K N 1.217 121.933 120.400 0.527 0.000 2.581 119 K HA 0.418 4.732 4.320 -0.011 0.000 0.249 119 K C -0.688 176.157 176.600 0.408 0.000 0.966 119 K CA -0.498 56.034 56.287 0.408 0.000 0.811 119 K CB 1.541 34.270 32.500 0.381 0.000 1.223 119 K HN 0.806 nan 8.250 nan 0.000 0.438 120 S N 2.286 118.140 115.700 0.256 0.000 2.641 120 S HA 0.116 4.579 4.470 -0.011 0.000 0.261 120 S C 0.935 175.433 174.600 -0.170 0.000 1.257 120 S CA -0.229 58.062 58.200 0.152 0.000 0.983 120 S CB 0.876 64.114 63.200 0.063 0.000 0.990 120 S HN 0.727 nan 8.310 nan 0.000 0.572 121 E N 0.380 120.301 120.200 -0.464 0.000 2.118 121 E HA -0.132 4.212 4.350 -0.011 0.000 0.195 121 E C 1.694 178.020 176.600 -0.456 0.000 0.992 121 E CA 1.682 57.531 56.400 -0.919 0.000 0.804 121 E CB -0.548 28.878 29.700 -0.458 0.000 0.741 121 E HN 0.916 nan 8.360 nan 0.000 0.458 122 T N -3.319 111.106 114.554 -0.214 0.000 3.107 122 T HA 0.347 4.691 4.350 -0.011 0.000 0.249 122 T C 1.387 176.054 174.700 -0.056 0.000 1.096 122 T CA 0.262 62.296 62.100 -0.110 0.000 1.012 122 T CB 0.808 69.639 68.868 -0.062 0.000 0.977 122 T HN 0.298 nan 8.240 nan 0.000 0.527 123 G N 1.101 109.879 108.800 -0.038 0.000 2.176 123 G HA2 -0.241 3.712 3.960 -0.011 0.000 0.232 123 G HA3 -0.241 3.712 3.960 -0.011 0.000 0.232 123 G C 0.190 175.123 174.900 0.056 0.000 0.986 123 G CA -0.091 45.029 45.100 0.033 0.000 0.643 123 G HN 0.664 nan 8.290 nan 0.000 0.522 124 T N 1.698 116.277 114.554 0.042 0.000 2.829 124 T HA 0.413 4.757 4.350 -0.011 0.000 0.293 124 T C 0.718 175.472 174.700 0.091 0.000 0.970 124 T CA 0.153 62.280 62.100 0.044 0.000 1.168 124 T CB 1.971 70.858 68.868 0.031 0.000 0.911 124 T HN 0.416 nan 8.240 nan 0.000 0.535 125 V N 5.065 125.012 119.914 0.056 0.000 2.607 125 V HA 0.324 4.438 4.120 -0.011 0.000 0.289 125 V C 0.525 176.651 176.094 0.053 0.000 1.053 125 V CA -0.721 61.619 62.300 0.068 0.000 0.996 125 V CB 1.341 33.089 31.823 -0.124 0.000 0.995 125 V HN 0.826 nan 8.190 nan 0.000 0.476 126 N N 3.595 122.403 118.700 0.179 0.000 2.346 126 N HA 0.406 5.140 4.740 -0.011 0.000 0.289 126 N C -0.728 174.933 175.510 0.253 0.000 1.027 126 N CA -0.567 52.593 53.050 0.183 0.000 0.864 126 N CB 1.950 40.565 38.487 0.213 0.000 1.370 126 N HN 0.632 nan 8.380 nan 0.000 0.481 127 K N 2.494 122.941 120.400 0.077 0.000 3.123 127 K HA 0.160 4.473 4.320 -0.011 0.000 0.209 127 K C 0.292 177.058 176.600 0.277 0.000 1.132 127 K CA -0.140 56.164 56.287 0.029 0.000 0.992 127 K CB 0.917 33.000 32.500 -0.696 0.000 0.773 127 K HN 0.570 nan 8.250 nan 0.000 0.458 128 E N 0.624 121.014 120.200 0.317 0.000 2.299 128 E HA -0.023 4.321 4.350 -0.011 0.000 0.193 128 E C 0.176 177.006 176.600 0.383 0.000 0.998 128 E CA 0.736 57.303 56.400 0.278 0.000 0.851 128 E CB 0.609 30.413 29.700 0.173 0.000 0.795 128 E HN 0.111 nan 8.360 nan 0.000 0.492 129 T N -1.213 113.643 114.554 0.504 0.000 2.786 129 T HA 0.322 4.665 4.350 -0.011 0.000 0.316 129 T C -1.525 173.478 174.700 0.506 0.000 1.503 129 T CA -0.779 61.615 62.100 0.490 0.000 1.019 129 T CB 0.618 69.742 68.868 0.427 0.000 1.415 129 T HN -0.045 nan 8.240 nan 0.000 0.496 130 L N 3.409 124.836 121.223 0.339 0.000 2.380 130 L HA 0.372 4.706 4.340 -0.011 0.000 0.273 130 L C 1.042 177.894 176.870 -0.029 0.000 1.138 130 L CA -0.757 54.166 54.840 0.139 0.000 0.832 130 L CB 0.404 42.502 42.059 0.066 0.000 1.124 130 L HN 0.620 nan 8.230 nan 0.000 0.454 131 N N 5.581 124.085 118.700 -0.326 0.000 2.447 131 N HA 0.014 4.748 4.740 -0.011 0.000 0.263 131 N C -1.517 173.828 175.510 -0.274 0.000 1.226 131 N CA -1.289 51.388 53.050 -0.622 0.000 0.906 131 N CB 1.190 39.265 38.487 -0.686 0.000 1.060 131 N HN 0.360 nan 8.380 nan 0.000 0.468 132 P HA -0.120 nan 4.420 nan 0.000 0.229 132 P C 1.425 178.667 177.300 -0.097 0.000 1.150 132 P CA 0.766 63.688 63.100 -0.296 0.000 0.765 132 P CB 0.383 31.740 31.700 -0.571 0.000 0.783 133 L N -0.429 120.772 121.223 -0.036 0.000 2.217 133 L HA -0.011 4.323 4.340 -0.011 0.000 0.211 133 L C 1.828 178.820 176.870 0.204 0.000 1.107 133 L CA 0.709 55.628 54.840 0.133 0.000 0.783 133 L CB -0.684 41.555 42.059 0.299 0.000 0.919 133 L HN -0.093 nan 8.230 nan 0.000 0.442 134 A N -0.172 122.680 122.820 0.054 0.000 3.077 134 A HA 0.136 4.449 4.320 -0.011 0.000 0.255 134 A C 1.723 179.286 177.584 -0.034 0.000 1.728 134 A CA 0.373 52.394 52.037 -0.027 0.000 1.383 134 A CB -0.489 18.431 19.000 -0.135 0.000 1.097 134 A HN 0.431 nan 8.150 nan 0.000 0.634 135 S N 0.763 116.473 115.700 0.016 0.000 2.419 135 S HA -0.221 4.242 4.470 -0.011 0.000 0.233 135 S C 1.471 176.046 174.600 -0.042 0.000 1.016 135 S CA 1.271 59.460 58.200 -0.019 0.000 0.974 135 S CB -0.323 62.886 63.200 0.016 0.000 0.786 135 S HN 0.760 nan 8.310 nan 0.000 0.492 136 D N 2.195 122.586 120.400 -0.014 0.000 2.097 136 D HA -0.094 4.540 4.640 -0.011 0.000 0.197 136 D C 1.992 178.274 176.300 -0.030 0.000 0.984 136 D CA 1.191 55.183 54.000 -0.013 0.000 0.826 136 D CB -0.963 39.842 40.800 0.009 0.000 0.973 136 D HN 0.418 nan 8.370 nan 0.000 0.460 137 V N 0.943 120.832 119.914 -0.042 0.000 2.358 137 V HA -0.160 3.954 4.120 -0.011 0.000 0.246 137 V C 2.784 178.841 176.094 -0.062 0.000 1.047 137 V CA 1.044 63.327 62.300 -0.028 0.000 1.035 137 V CB -0.462 31.337 31.823 -0.040 0.000 0.658 137 V HN 0.160 nan 8.190 nan 0.000 0.452 138 I N -0.111 120.358 120.570 -0.168 0.000 2.179 138 I HA -0.269 3.894 4.170 -0.011 0.000 0.242 138 I C 2.766 178.673 176.117 -0.351 0.000 1.088 138 I CA 1.880 62.926 61.300 -0.422 0.000 1.357 138 I CB -0.411 37.277 38.000 -0.520 0.000 1.051 138 I HN 0.234 nan 8.210 nan 0.000 0.409 139 R N 1.476 121.857 120.500 -0.198 0.000 2.091 139 R HA -0.249 4.085 4.340 -0.011 0.000 0.238 139 R C 2.337 178.594 176.300 -0.071 0.000 1.136 139 R CA 1.935 57.958 56.100 -0.127 0.000 0.959 139 R CB -0.194 30.062 30.300 -0.072 0.000 0.856 139 R HN 0.253 nan 8.270 nan 0.000 0.437 140 K N 0.157 120.541 120.400 -0.027 0.000 1.973 140 K HA -0.165 4.149 4.320 -0.011 0.000 0.212 140 K C 1.856 178.497 176.600 0.068 0.000 1.047 140 K CA 1.758 58.063 56.287 0.030 0.000 0.937 140 K CB -0.062 32.473 32.500 0.059 0.000 0.721 140 K HN 0.134 nan 8.250 nan 0.000 0.440 141 E N 0.043 120.314 120.200 0.119 0.000 2.077 141 E HA -0.191 4.153 4.350 -0.011 0.000 0.193 141 E C 2.187 178.808 176.600 0.035 0.000 0.989 141 E CA 1.301 57.825 56.400 0.207 0.000 0.800 141 E CB -0.466 29.462 29.700 0.381 0.000 0.746 141 E HN 0.434 nan 8.360 nan 0.000 0.452 142 Y N 0.877 120.932 120.300 -0.407 0.000 2.200 142 Y HA -0.021 4.523 4.550 -0.011 0.000 0.290 142 Y C 2.598 178.005 175.900 -0.822 0.000 1.137 142 Y CA 0.851 58.471 58.100 -0.800 0.000 1.163 142 Y CB -1.171 36.806 38.460 -0.805 0.000 0.988 142 Y HN 0.091 nan 8.280 nan 0.000 0.518 143 G N -0.175 108.475 108.800 -0.251 0.000 2.459 143 G HA2 -0.258 3.696 3.960 -0.011 0.000 0.217 143 G HA3 -0.258 3.696 3.960 -0.011 0.000 0.217 143 G C 1.543 176.400 174.900 -0.071 0.000 1.183 143 G CA 1.121 46.130 45.100 -0.151 0.000 0.776 143 G HN 0.420 nan 8.290 nan 0.000 0.552 144 E N -0.296 119.917 120.200 0.021 0.000 2.077 144 E HA -0.103 4.240 4.350 -0.011 0.000 0.193 144 E C 2.397 179.093 176.600 0.159 0.000 0.989 144 E CA 0.841 57.334 56.400 0.155 0.000 0.800 144 E CB -0.202 29.675 29.700 0.295 0.000 0.746 144 E HN 0.330 nan 8.360 nan 0.000 0.452 145 L N 0.354 121.641 121.223 0.108 0.000 2.017 145 L HA -0.187 4.147 4.340 -0.011 0.000 0.208 145 L C 2.011 178.951 176.870 0.116 0.000 1.073 145 L CA 1.702 56.601 54.840 0.098 0.000 0.745 145 L CB -0.554 41.457 42.059 -0.080 0.000 0.894 145 L HN 0.223 nan 8.230 nan 0.000 0.432 146 Y N -0.861 119.397 120.300 -0.069 0.000 2.145 146 Y HA -0.280 4.264 4.550 -0.009 0.000 0.286 146 Y C 2.464 178.251 175.900 -0.189 0.000 1.145 146 Y CA 1.105 59.131 58.100 -0.124 0.000 1.148 146 Y CB -0.645 37.630 38.460 -0.309 0.000 0.981 146 Y HN 0.225 nan 8.280 nan 0.000 0.507 147 T N 0.062 114.605 114.554 -0.018 0.000 2.746 147 T HA -0.204 4.140 4.350 -0.011 0.000 0.267 147 T C 2.105 176.759 174.700 -0.076 0.000 1.039 147 T CA 1.168 63.227 62.100 -0.069 0.000 1.142 147 T CB -0.505 68.340 68.868 -0.039 0.000 0.866 147 T HN 0.455 nan 8.240 nan 0.000 0.444 148 A N 0.919 123.655 122.820 -0.139 0.000 1.898 148 A HA 0.001 4.315 4.320 -0.011 0.000 0.216 148 A C 2.019 179.271 177.584 -0.554 0.000 1.181 148 A CA 1.226 53.072 52.037 -0.319 0.000 0.620 148 A CB -0.968 17.616 19.000 -0.694 0.000 0.819 148 A HN 0.478 nan 8.150 nan 0.000 0.442 149 F N 1.014 120.610 119.950 -0.589 0.000 2.134 149 F HA -0.087 4.433 4.527 -0.012 0.000 0.299 149 F C 2.523 178.157 175.800 -0.276 0.000 1.097 149 F CA 1.226 58.815 58.000 -0.685 0.000 1.264 149 F CB -0.377 38.532 39.000 -0.153 0.000 1.001 149 F HN 0.254 nan 8.300 nan 0.000 0.479 150 A N 0.449 123.375 122.820 0.178 0.000 1.883 150 A HA -0.131 4.183 4.320 -0.011 0.000 0.217 150 A C 2.420 180.063 177.584 0.099 0.000 1.186 150 A CA 2.004 54.271 52.037 0.383 0.000 0.624 150 A CB -1.621 17.608 19.000 0.381 0.000 0.822 150 A HN 0.515 nan 8.150 nan 0.000 0.444 151 A N -0.291 122.481 122.820 -0.081 0.000 1.902 151 A HA 0.153 4.467 4.320 -0.011 0.000 0.217 151 A C 2.493 179.973 177.584 -0.173 0.000 1.181 151 A CA 2.168 54.134 52.037 -0.117 0.000 0.623 151 A CB -0.979 17.954 19.000 -0.112 0.000 0.818 151 A HN 1.099 nan 8.150 nan 0.000 0.443 152 A N -1.404 121.202 122.820 -0.357 0.000 1.969 152 A HA -0.000 4.313 4.320 -0.011 0.000 0.218 152 A C 1.967 179.411 177.584 -0.234 0.000 1.169 152 A CA 1.733 53.557 52.037 -0.355 0.000 0.635 152 A CB -0.327 18.257 19.000 -0.693 0.000 0.810 152 A HN 0.409 nan 8.150 nan 0.000 0.445 153 M N -0.726 118.696 119.600 -0.298 0.000 2.556 153 M HA 0.109 4.583 4.480 -0.011 0.000 0.245 153 M C 1.641 178.089 176.300 0.247 0.000 1.128 153 M CA 0.608 55.879 55.300 -0.049 0.000 1.069 153 M CB -0.931 31.443 32.600 -0.377 0.000 1.469 153 M HN 0.535 nan 8.290 nan 0.000 0.494 154 K N 1.451 121.912 120.400 0.100 0.000 2.077 154 K HA -0.195 4.119 4.320 -0.011 0.000 0.213 154 K C -1.014 175.505 176.600 -0.135 0.000 1.051 154 K CA 1.878 58.106 56.287 -0.098 0.000 0.929 154 K CB -0.843 31.561 32.500 -0.160 0.000 0.715 154 K HN 0.144 nan 8.250 nan 0.000 0.451 155 P HA -0.117 nan 4.420 nan 0.000 0.225 155 P C -0.156 176.818 177.300 -0.545 0.000 1.148 155 P CA 1.148 63.981 63.100 -0.444 0.000 0.779 155 P CB 0.082 31.377 31.700 -0.674 0.000 0.780 156 Y N -0.980 119.318 120.300 -0.004 0.000 2.636 156 Y HA 0.177 4.720 4.550 -0.012 0.000 0.260 156 Y C 1.866 177.826 175.900 0.100 0.000 1.177 156 Y CA -0.536 57.577 58.100 0.021 0.000 1.209 156 Y CB -0.443 38.012 38.460 -0.008 0.000 1.166 156 Y HN -0.033 nan 8.280 nan 0.000 0.531 157 K N -0.400 120.141 120.400 0.234 0.000 2.218 157 K HA -0.222 4.091 4.320 -0.011 0.000 0.205 157 K C 0.813 177.535 176.600 0.202 0.000 1.046 157 K CA 2.160 58.643 56.287 0.327 0.000 0.933 157 K CB -0.137 32.368 32.500 0.008 0.000 0.728 157 K HN 0.122 nan 8.250 nan 0.000 0.454 158 D N 1.049 121.514 120.400 0.108 0.000 2.218 158 D HA -0.113 4.521 4.640 -0.011 0.000 0.204 158 D C 1.884 178.229 176.300 0.075 0.000 0.976 158 D CA 1.736 55.779 54.000 0.072 0.000 0.853 158 D CB 0.202 41.023 40.800 0.036 0.000 0.939 158 D HN 0.366 nan 8.370 nan 0.000 0.481 159 V N -1.476 118.496 119.914 0.098 0.000 3.650 159 V HA 0.224 4.337 4.120 -0.011 0.000 0.271 159 V C 0.951 177.067 176.094 0.037 0.000 1.281 159 V CA -0.151 62.184 62.300 0.057 0.000 1.120 159 V CB -0.209 31.657 31.823 0.072 0.000 0.856 159 V HN -0.081 nan 8.190 nan 0.000 0.443 160 I N 1.613 122.221 120.570 0.062 0.000 2.337 160 I HA 0.512 4.675 4.170 -0.011 0.000 0.291 160 I C 1.308 177.417 176.117 -0.012 0.000 1.046 160 I CA 0.273 61.567 61.300 -0.011 0.000 1.324 160 I CB 1.533 39.478 38.000 -0.091 0.000 1.409 160 I HN 0.196 nan 8.210 nan 0.000 0.494 161 A N 6.440 129.228 122.820 -0.053 0.000 2.115 161 A HA 0.195 4.508 4.320 -0.011 0.000 0.211 161 A C 0.732 178.266 177.584 -0.082 0.000 1.169 161 A CA 0.573 52.606 52.037 -0.007 0.000 0.787 161 A CB 0.358 19.407 19.000 0.081 0.000 0.858 161 A HN 0.723 nan 8.150 nan 0.000 0.474 162 K N -1.057 119.225 120.400 -0.197 0.000 2.642 162 K HA 0.601 4.914 4.320 -0.011 0.000 0.290 162 K C -2.291 174.078 176.600 -0.385 0.000 1.006 162 K CA -0.659 55.456 56.287 -0.287 0.000 0.869 162 K CB 1.031 33.320 32.500 -0.352 0.000 1.499 162 K HN 0.097 nan 8.250 nan 0.000 0.403 163 I N 2.647 122.941 120.570 -0.460 0.000 2.498 163 I HA 0.346 4.509 4.170 -0.011 0.000 0.290 163 I C -1.252 174.588 176.117 -0.462 0.000 1.032 163 I CA -0.795 60.194 61.300 -0.519 0.000 1.073 163 I CB 1.743 39.276 38.000 -0.778 0.000 1.251 163 I HN 0.536 nan 8.210 nan 0.000 0.426 164 Y N 5.813 125.912 120.300 -0.336 0.000 2.361 164 Y HA 0.596 5.140 4.550 -0.009 0.000 0.332 164 Y C -0.245 175.497 175.900 -0.264 0.000 1.101 164 Y CA -0.728 57.226 58.100 -0.243 0.000 1.137 164 Y CB 1.664 40.004 38.460 -0.200 0.000 1.207 164 Y HN 0.265 nan 8.280 nan 0.000 0.463 165 L N 2.249 123.490 121.223 0.029 0.000 2.331 165 L HA 0.457 4.791 4.340 -0.011 0.000 0.275 165 L C -0.073 176.838 176.870 0.069 0.000 1.022 165 L CA -0.904 53.922 54.840 -0.023 0.000 0.812 165 L CB 1.835 43.874 42.059 -0.034 0.000 1.257 165 L HN 0.476 nan 8.230 nan 0.000 0.435 166 S N 0.590 116.345 115.700 0.091 0.000 2.430 166 S HA 0.366 4.830 4.470 -0.011 0.000 0.289 166 S C 0.864 175.603 174.600 0.231 0.000 1.143 166 S CA -0.330 57.962 58.200 0.153 0.000 1.067 166 S CB 0.977 64.344 63.200 0.279 0.000 0.964 166 S HN 0.805 nan 8.310 nan 0.000 0.485 167 G N 2.931 111.849 108.800 0.197 0.000 3.042 167 G HA2 0.543 4.496 3.960 -0.011 0.000 0.212 167 G HA3 0.543 4.496 3.960 -0.011 0.000 0.212 167 G C 0.629 175.653 174.900 0.207 0.000 1.166 167 G CA 0.208 45.475 45.100 0.279 0.000 0.767 167 G HN 1.141 nan 8.290 nan 0.000 0.546 168 G N -0.315 108.560 108.800 0.126 0.000 2.356 168 G HA2 0.422 4.376 3.960 -0.011 0.000 0.281 168 G HA3 0.422 4.376 3.960 -0.011 0.000 0.281 168 G C -3.212 171.682 174.900 -0.009 0.000 1.246 168 G CA -0.615 44.520 45.100 0.057 0.000 0.889 168 G HN -0.035 nan 8.290 nan 0.000 0.486 169 P HA 0.364 nan 4.420 nan 0.000 0.264 169 P C 0.659 177.834 177.300 -0.208 0.000 1.193 169 P CA 1.813 64.864 63.100 -0.081 0.000 0.763 169 P CB 1.242 32.859 31.700 -0.139 0.000 0.810 170 A N 3.167 125.812 122.820 -0.293 0.000 2.979 170 A HA -0.103 4.211 4.320 -0.011 0.000 0.260 170 A C 1.383 178.614 177.584 -0.590 0.000 1.282 170 A CA 1.577 53.425 52.037 -0.315 0.000 0.971 170 A CB -2.559 16.392 19.000 -0.082 0.000 1.124 170 A HN 1.201 nan 8.150 nan 0.000 0.826 171 G N -2.138 106.056 108.800 -1.009 0.000 2.143 171 G HA2 -0.148 3.806 3.960 -0.011 0.000 0.249 171 G HA3 -0.148 3.806 3.960 -0.011 0.000 0.249 171 G C -0.277 174.531 174.900 -0.154 0.000 0.981 171 G CA 1.053 45.855 45.100 -0.496 0.000 0.665 171 G HN 1.323 nan 8.290 nan 0.000 0.528 172 E N -0.889 119.248 120.200 -0.106 0.000 2.195 172 E HA 0.594 4.938 4.350 -0.011 0.000 0.271 172 E C -0.053 176.598 176.600 0.085 0.000 0.923 172 E CA -1.099 55.324 56.400 0.038 0.000 0.790 172 E CB 2.005 31.743 29.700 0.063 0.000 1.155 172 E HN 0.197 nan 8.360 nan 0.000 0.402 173 L N 4.986 126.329 121.223 0.200 0.000 2.536 173 L HA 0.210 4.543 4.340 -0.011 0.000 0.282 173 L C -0.371 176.608 176.870 0.183 0.000 1.147 173 L CA 0.876 55.840 54.840 0.206 0.000 0.936 173 L CB -0.874 41.385 42.059 0.333 0.000 1.279 173 L HN 0.610 nan 8.230 nan 0.000 0.461 174 R N 2.182 122.647 120.500 -0.058 0.000 2.832 174 R HA 0.305 4.638 4.340 -0.011 0.000 0.283 174 R C -1.592 174.481 176.300 -0.379 0.000 0.998 174 R CA -1.041 54.919 56.100 -0.234 0.000 0.843 174 R CB 0.295 30.460 30.300 -0.225 0.000 1.332 174 R HN 0.158 nan 8.270 nan 0.000 0.490 175 Y N 0.581 120.675 120.300 -0.342 0.000 2.335 175 Y HA 0.381 4.925 4.550 -0.010 0.000 0.323 175 Y C -1.559 174.054 175.900 -0.477 0.000 1.224 175 Y CA -2.163 55.687 58.100 -0.416 0.000 1.241 175 Y CB 1.276 39.569 38.460 -0.278 0.000 1.235 175 Y HN 0.393 nan 8.280 nan 0.000 0.492 176 P HA 0.007 nan 4.420 nan 0.000 0.225 176 P C 0.200 177.348 177.300 -0.252 0.000 1.768 176 P CA 0.205 63.048 63.100 -0.428 0.000 0.943 176 P CB -0.186 31.223 31.700 -0.484 0.000 1.936 177 S N -0.221 115.375 115.700 -0.173 0.000 2.489 177 S HA -0.108 4.355 4.470 -0.011 0.000 0.228 177 S C 0.701 175.377 174.600 0.128 0.000 0.995 177 S CA 0.079 58.273 58.200 -0.010 0.000 0.934 177 S CB -1.079 62.133 63.200 0.020 0.000 0.771 177 S HN 0.412 nan 8.310 nan 0.000 0.522 178 Y N 1.880 122.215 120.300 0.059 0.000 2.686 178 Y HA 0.741 5.284 4.550 -0.011 0.000 0.331 178 Y C -0.230 175.724 175.900 0.090 0.000 0.996 178 Y CA -0.964 57.221 58.100 0.142 0.000 1.293 178 Y CB 0.227 38.905 38.460 0.363 0.000 1.092 178 Y HN 0.124 nan 8.280 nan 0.000 0.524 179 T N -2.154 112.486 114.554 0.143 0.000 2.906 179 T HA 0.315 4.659 4.350 -0.011 0.000 0.295 179 T C 0.906 175.645 174.700 0.065 0.000 1.061 179 T CA -0.151 61.992 62.100 0.071 0.000 1.000 179 T CB 1.650 70.523 68.868 0.009 0.000 1.103 179 T HN 0.604 nan 8.240 nan 0.000 0.486 180 T N -0.168 114.410 114.554 0.042 0.000 2.777 180 T HA -0.103 4.241 4.350 -0.011 0.000 0.266 180 T C 2.030 176.738 174.700 0.014 0.000 1.040 180 T CA 1.494 63.608 62.100 0.024 0.000 1.141 180 T CB -1.061 67.813 68.868 0.011 0.000 0.868 180 T HN 0.556 nan 8.240 nan 0.000 0.444 181 S N 1.739 117.444 115.700 0.008 0.000 2.399 181 S HA -0.098 4.366 4.470 -0.011 0.000 0.231 181 S C 1.729 176.332 174.600 0.006 0.000 1.022 181 S CA 1.322 59.523 58.200 0.000 0.000 0.983 181 S CB -0.496 62.700 63.200 -0.007 0.000 0.803 181 S HN 0.533 nan 8.310 nan 0.000 0.480 182 D N 0.351 120.761 120.400 0.016 0.000 2.349 182 D HA 0.165 4.798 4.640 -0.011 0.000 0.215 182 D C 1.276 177.589 176.300 0.022 0.000 1.016 182 D CA 0.599 54.611 54.000 0.020 0.000 0.870 182 D CB -0.258 40.560 40.800 0.030 0.000 0.917 182 D HN 0.394 nan 8.370 nan 0.000 0.524 183 G N 0.649 109.463 108.800 0.024 0.000 2.221 183 G HA2 -0.282 3.672 3.960 -0.011 0.000 0.265 183 G HA3 -0.282 3.672 3.960 -0.011 0.000 0.265 183 G C 0.786 175.709 174.900 0.038 0.000 1.041 183 G CA 0.995 46.108 45.100 0.022 0.000 0.807 183 G HN 0.428 nan 8.290 nan 0.000 0.502 184 T N -2.332 112.264 114.554 0.070 0.000 3.182 184 T HA 0.579 4.922 4.350 -0.011 0.000 0.277 184 T C 1.318 176.132 174.700 0.190 0.000 1.013 184 T CA 0.684 62.857 62.100 0.121 0.000 0.900 184 T CB 1.086 70.033 68.868 0.131 0.000 1.098 184 T HN 1.266 nan 8.240 nan 0.000 0.543 185 G N 0.759 109.627 108.800 0.113 0.000 2.667 185 G HA2 0.366 4.319 3.960 -0.011 0.000 0.250 185 G HA3 0.366 4.319 3.960 -0.011 0.000 0.250 185 G C -0.539 174.308 174.900 -0.088 0.000 1.212 185 G CA -0.808 44.340 45.100 0.080 0.000 0.874 185 G HN 0.496 nan 8.290 nan 0.000 0.561 186 Y N 1.464 121.441 120.300 -0.539 0.000 2.702 186 Y HA 0.255 4.799 4.550 -0.010 0.000 0.336 186 Y C -1.042 174.527 175.900 -0.551 0.000 1.235 186 Y CA -0.935 56.516 58.100 -1.082 0.000 1.492 186 Y CB 1.129 38.790 38.460 -1.333 0.000 1.308 186 Y HN 0.316 nan 8.280 nan 0.000 0.589 187 P HA 0.194 nan 4.420 nan 0.000 0.257 187 P C -0.772 176.294 177.300 -0.390 0.000 1.737 187 P CA -0.115 62.118 63.100 -1.444 0.000 1.130 187 P CB 0.206 31.034 31.700 -1.453 0.000 1.572 188 S N 1.146 116.738 115.700 -0.181 0.000 2.608 188 S HA 0.262 4.725 4.470 -0.011 0.000 0.261 188 S C 0.701 175.451 174.600 0.250 0.000 1.314 188 S CA -0.558 57.671 58.200 0.048 0.000 0.992 188 S CB 0.481 63.697 63.200 0.028 0.000 0.935 188 S HN 0.354 nan 8.310 nan 0.000 0.564 189 R N 0.110 120.694 120.500 0.139 0.000 2.539 189 R HA 0.581 4.914 4.340 -0.011 0.000 0.275 189 R C 0.473 176.821 176.300 0.080 0.000 1.077 189 R CA -0.518 55.635 56.100 0.089 0.000 1.097 189 R CB -0.035 30.284 30.300 0.031 0.000 1.018 189 R HN 0.582 nan 8.270 nan 0.000 0.483 190 G N 1.496 110.302 108.800 0.009 0.000 2.562 190 G HA2 0.280 4.233 3.960 -0.011 0.000 0.275 190 G HA3 0.280 4.233 3.960 -0.011 0.000 0.275 190 G C -0.895 173.934 174.900 -0.118 0.000 1.196 190 G CA -0.951 44.150 45.100 0.001 0.000 0.908 190 G HN 0.527 nan 8.290 nan 0.000 0.524 191 K N -0.439 119.907 120.400 -0.089 0.000 2.203 191 K HA 0.369 4.683 4.320 -0.011 0.000 0.251 191 K C -0.911 175.617 176.600 -0.121 0.000 0.944 191 K CA -0.473 55.756 56.287 -0.097 0.000 0.829 191 K CB 1.820 34.312 32.500 -0.013 0.000 1.125 191 K HN 0.353 nan 8.250 nan 0.000 0.430 192 F N 1.816 121.794 119.950 0.046 0.000 2.529 192 F HA 0.004 4.524 4.527 -0.011 0.000 0.365 192 F C 1.334 177.295 175.800 0.268 0.000 1.102 192 F CA 0.177 58.213 58.000 0.059 0.000 1.271 192 F CB 0.701 39.672 39.000 -0.048 0.000 1.120 192 F HN 0.230 nan 8.300 nan 0.000 0.579 193 Q N 3.562 123.603 119.800 0.403 0.000 2.465 193 Q HA 0.359 4.692 4.340 -0.011 0.000 0.361 193 Q C -0.098 176.185 176.000 0.472 0.000 0.957 193 Q CA -0.105 55.953 55.803 0.425 0.000 1.065 193 Q CB 1.081 30.005 28.738 0.310 0.000 1.274 193 Q HN 0.669 nan 8.270 nan 0.000 0.421 194 A N 0.089 123.122 122.820 0.356 0.000 2.795 194 A HA 0.349 4.663 4.320 -0.011 0.000 0.282 194 A C -0.356 177.122 177.584 -0.178 0.000 0.964 194 A CA -0.307 51.837 52.037 0.179 0.000 1.045 194 A CB 0.024 19.199 19.000 0.292 0.000 1.174 194 A HN 0.266 nan 8.150 nan 0.000 0.493 195 Y N 0.590 121.020 120.300 0.217 0.000 2.555 195 Y HA 0.134 4.678 4.550 -0.011 0.000 0.259 195 Y C 1.439 177.432 175.900 0.155 0.000 1.179 195 Y CA 0.212 58.404 58.100 0.154 0.000 1.230 195 Y CB 0.042 38.573 38.460 0.118 0.000 1.146 195 Y HN 0.400 nan 8.280 nan 0.000 0.526 196 T N -2.270 112.426 114.554 0.238 0.000 2.899 196 T HA 0.055 4.399 4.350 -0.011 0.000 0.295 196 T C 1.150 175.946 174.700 0.160 0.000 1.033 196 T CA -0.578 61.625 62.100 0.173 0.000 1.084 196 T CB 1.291 70.197 68.868 0.062 0.000 0.979 196 T HN 0.122 nan 8.240 nan 0.000 0.532 197 E N 0.385 120.674 120.200 0.148 0.000 2.153 197 E HA -0.089 4.255 4.350 -0.011 0.000 0.194 197 E C 1.430 178.133 176.600 0.170 0.000 0.988 197 E CA 0.795 57.280 56.400 0.141 0.000 0.811 197 E CB -0.413 29.364 29.700 0.129 0.000 0.746 197 E HN 0.774 nan 8.360 nan 0.000 0.466 198 F N 1.645 121.614 119.950 0.031 0.000 2.113 198 F HA -0.108 4.413 4.527 -0.011 0.000 0.297 198 F C 2.311 178.175 175.800 0.108 0.000 1.103 198 F CA 1.301 59.327 58.000 0.044 0.000 1.248 198 F CB -0.441 38.556 39.000 -0.006 0.000 0.999 198 F HN -0.008 nan 8.300 nan 0.000 0.475 199 A N 0.327 123.259 122.820 0.187 0.000 1.908 199 A HA -0.238 4.076 4.320 -0.011 0.000 0.218 199 A C 2.256 179.912 177.584 0.119 0.000 1.181 199 A CA 2.030 54.200 52.037 0.222 0.000 0.627 199 A CB -0.736 18.443 19.000 0.298 0.000 0.818 199 A HN 0.461 nan 8.150 nan 0.000 0.445 200 K N -0.107 120.327 120.400 0.057 0.000 2.063 200 K HA -0.103 4.210 4.320 -0.011 0.000 0.208 200 K C 2.384 178.980 176.600 -0.008 0.000 1.048 200 K CA 1.593 57.893 56.287 0.021 0.000 0.928 200 K CB -0.252 32.274 32.500 0.043 0.000 0.713 200 K HN 0.431 nan 8.250 nan 0.000 0.442 201 S N 1.019 116.698 115.700 -0.035 0.000 2.356 201 S HA -0.102 4.361 4.470 -0.011 0.000 0.223 201 S C 1.724 176.259 174.600 -0.110 0.000 1.032 201 S CA 1.193 59.349 58.200 -0.073 0.000 1.005 201 S CB -0.066 63.084 63.200 -0.084 0.000 0.867 201 S HN 0.200 nan 8.310 nan 0.000 0.449 202 K N 1.125 121.436 120.400 -0.148 0.000 2.057 202 K HA -0.011 4.302 4.320 -0.011 0.000 0.207 202 K C 1.731 178.332 176.600 0.002 0.000 1.049 202 K CA 0.979 57.264 56.287 -0.003 0.000 0.931 202 K CB -0.905 31.668 32.500 0.122 0.000 0.714 202 K HN 0.428 nan 8.250 nan 0.000 0.440 203 F N 2.430 122.037 119.950 -0.572 0.000 2.102 203 F HA -0.131 4.389 4.527 -0.011 0.000 0.298 203 F C 2.547 178.121 175.800 -0.376 0.000 1.105 203 F CA 1.409 58.669 58.000 -1.233 0.000 1.239 203 F CB -0.337 37.800 39.000 -1.438 0.000 0.991 203 F HN -0.061 nan 8.300 nan 0.000 0.474 204 R N 0.426 120.711 120.500 -0.359 0.000 2.083 204 R HA -0.169 4.165 4.340 -0.011 0.000 0.237 204 R C 2.345 178.527 176.300 -0.197 0.000 1.137 204 R CA 2.186 58.110 56.100 -0.294 0.000 0.951 204 R CB -0.590 29.636 30.300 -0.123 0.000 0.851 204 R HN 0.435 nan 8.270 nan 0.000 0.434 205 L N -1.019 120.143 121.223 -0.102 0.000 2.083 205 L HA -0.193 4.141 4.340 -0.011 0.000 0.209 205 L C 2.325 179.188 176.870 -0.013 0.000 1.083 205 L CA 1.289 56.102 54.840 -0.046 0.000 0.752 205 L CB -0.595 41.461 42.059 -0.005 0.000 0.899 205 L HN 0.408 nan 8.230 nan 0.000 0.433 206 W N 0.508 121.710 121.300 -0.164 0.000 2.355 206 W HA -0.173 4.481 4.660 -0.011 0.000 0.309 206 W C 2.299 178.719 176.519 -0.165 0.000 1.206 206 W CA 1.598 58.889 57.345 -0.090 0.000 1.284 206 W CB -0.233 29.240 29.460 0.022 0.000 1.145 206 W HN -0.224 nan 8.180 nan 0.000 0.502 207 V N 1.374 121.260 119.914 -0.047 0.000 2.261 207 V HA -0.346 3.768 4.120 -0.011 0.000 0.246 207 V C 2.357 178.292 176.094 -0.265 0.000 1.047 207 V CA 2.170 64.358 62.300 -0.185 0.000 1.015 207 V CB -1.191 30.503 31.823 -0.215 0.000 0.642 207 V HN 0.248 nan 8.190 nan 0.000 0.446 208 L N 0.474 121.571 121.223 -0.210 0.000 2.127 208 L HA -0.207 4.126 4.340 -0.011 0.000 0.211 208 L C 2.525 179.275 176.870 -0.199 0.000 1.089 208 L CA 1.840 56.578 54.840 -0.170 0.000 0.757 208 L CB -0.832 41.148 42.059 -0.132 0.000 0.899 208 L HN 0.495 nan 8.230 nan 0.000 0.434 209 N N 0.988 119.539 118.700 -0.248 0.000 2.188 209 N HA -0.242 4.492 4.740 -0.011 0.000 0.184 209 N C 1.914 177.197 175.510 -0.379 0.000 1.018 209 N CA 1.475 54.366 53.050 -0.266 0.000 0.858 209 N CB 0.130 38.467 38.487 -0.251 0.000 0.989 209 N HN 0.352 nan 8.380 nan 0.000 0.426 210 K N -0.640 119.400 120.400 -0.601 0.000 2.103 210 K HA -0.108 4.206 4.320 -0.011 0.000 0.204 210 K C 1.040 177.222 176.600 -0.697 0.000 1.052 210 K CA 1.080 56.903 56.287 -0.774 0.000 0.945 210 K CB -0.061 31.713 32.500 -1.209 0.000 0.722 210 K HN 0.248 nan 8.250 nan 0.000 0.443 211 Y N -0.873 119.246 120.300 -0.302 0.000 2.449 211 Y HA 0.210 4.753 4.550 -0.010 0.000 0.254 211 Y C 1.562 177.345 175.900 -0.195 0.000 1.140 211 Y CA 0.024 57.976 58.100 -0.245 0.000 1.272 211 Y CB 1.237 39.513 38.460 -0.307 0.000 1.114 211 Y HN 0.379 nan 8.280 nan 0.000 0.525 212 G N 0.665 109.417 108.800 -0.081 0.000 3.078 212 G HA2 -0.362 3.592 3.960 -0.011 0.000 0.227 212 G HA3 -0.362 3.592 3.960 -0.011 0.000 0.227 212 G C 0.436 175.295 174.900 -0.067 0.000 1.306 212 G CA 0.555 45.611 45.100 -0.074 0.000 0.841 212 G HN 0.567 nan 8.290 nan 0.000 0.530 213 S N -0.854 114.810 115.700 -0.061 0.000 2.618 213 S HA 0.696 5.160 4.470 -0.011 0.000 0.277 213 S C 0.646 175.177 174.600 -0.115 0.000 1.138 213 S CA 0.232 58.385 58.200 -0.079 0.000 0.844 213 S CB 1.942 65.102 63.200 -0.066 0.000 1.127 213 S HN 1.298 nan 8.310 nan 0.000 0.474 214 L N 1.999 123.152 121.223 -0.117 0.000 2.127 214 L HA -0.048 4.285 4.340 -0.011 0.000 0.211 214 L C 1.641 178.414 176.870 -0.162 0.000 1.089 214 L CA 2.077 56.829 54.840 -0.146 0.000 0.757 214 L CB -1.670 40.329 42.059 -0.100 0.000 0.899 214 L HN 0.832 nan 8.230 nan 0.000 0.434 215 N N -0.383 118.243 118.700 -0.123 0.000 2.025 215 N HA -0.190 4.544 4.740 -0.011 0.000 0.194 215 N C 1.641 177.055 175.510 -0.160 0.000 1.044 215 N CA 1.741 54.722 53.050 -0.114 0.000 0.851 215 N CB -0.375 38.065 38.487 -0.079 0.000 1.036 215 N HN 0.325 nan 8.380 nan 0.000 0.422 216 E N 0.365 120.465 120.200 -0.166 0.000 2.204 216 E HA -0.059 4.285 4.350 -0.011 0.000 0.194 216 E C 2.103 178.393 176.600 -0.517 0.000 0.989 216 E CA 0.381 56.651 56.400 -0.216 0.000 0.824 216 E CB -0.339 29.317 29.700 -0.075 0.000 0.756 216 E HN 0.217 nan 8.360 nan 0.000 0.477 217 V N 2.137 121.709 119.914 -0.571 0.000 2.270 217 V HA -0.224 3.890 4.120 -0.011 0.000 0.245 217 V C 1.979 177.642 176.094 -0.718 0.000 1.043 217 V CA 1.649 63.362 62.300 -0.978 0.000 1.014 217 V CB -0.509 30.858 31.823 -0.760 0.000 0.645 217 V HN 0.193 nan 8.190 nan 0.000 0.447 218 N N -0.014 118.469 118.700 -0.360 0.000 2.289 218 N HA -0.158 4.576 4.740 -0.011 0.000 0.184 218 N C 1.810 177.244 175.510 -0.127 0.000 1.016 218 N CA 1.233 54.187 53.050 -0.159 0.000 0.872 218 N CB -0.242 38.185 38.487 -0.100 0.000 0.973 218 N HN 0.521 nan 8.380 nan 0.000 0.433 219 K N 0.427 120.711 120.400 -0.194 0.000 2.031 219 K HA 0.068 4.381 4.320 -0.011 0.000 0.205 219 K C 1.807 178.335 176.600 -0.121 0.000 1.049 219 K CA 1.023 57.232 56.287 -0.131 0.000 0.939 219 K CB 0.002 32.425 32.500 -0.129 0.000 0.717 219 K HN 0.061 nan 8.250 nan 0.000 0.438 220 A N 0.084 122.739 122.820 -0.275 0.000 1.968 220 A HA -0.103 4.211 4.320 -0.011 0.000 0.217 220 A C 1.361 179.025 177.584 0.134 0.000 1.169 220 A CA 0.800 52.732 52.037 -0.176 0.000 0.638 220 A CB -0.546 18.124 19.000 -0.550 0.000 0.812 220 A HN 0.476 nan 8.150 nan 0.000 0.446 221 W N -0.887 120.333 121.300 -0.133 0.000 3.077 221 W HA 0.356 5.010 4.660 -0.011 0.000 0.266 221 W C 1.486 177.996 176.519 -0.016 0.000 1.300 221 W CA 0.052 57.388 57.345 -0.015 0.000 1.586 221 W CB -0.909 28.564 29.460 0.022 0.000 1.103 221 W HN 0.556 nan 8.180 nan 0.000 0.652 222 G N 1.982 110.880 108.800 0.164 0.000 2.295 222 G HA2 -0.234 3.719 3.960 -0.011 0.000 0.287 222 G HA3 -0.234 3.719 3.960 -0.011 0.000 0.287 222 G C 0.240 175.188 174.900 0.079 0.000 1.055 222 G CA 0.749 45.901 45.100 0.086 0.000 0.922 222 G HN 0.233 nan 8.290 nan 0.000 0.503 223 T N -3.012 111.598 114.554 0.093 0.000 2.930 223 T HA 0.750 5.094 4.350 -0.011 0.000 0.290 223 T C -0.038 174.681 174.700 0.031 0.000 1.052 223 T CA -0.974 61.168 62.100 0.070 0.000 1.017 223 T CB 2.286 71.232 68.868 0.131 0.000 1.137 223 T HN 0.166 nan 8.240 nan 0.000 0.511 224 K N 1.571 121.981 120.400 0.017 0.000 2.901 224 K HA 0.366 4.680 4.320 -0.011 0.000 0.199 224 K C -0.536 176.064 176.600 0.001 0.000 1.140 224 K CA -0.347 55.941 56.287 0.001 0.000 1.030 224 K CB 0.195 32.694 32.500 -0.003 0.000 1.437 224 K HN 0.460 nan 8.250 nan 0.000 0.552 225 L N 2.426 123.653 121.223 0.006 0.000 2.380 225 L HA 0.222 4.555 4.340 -0.011 0.000 0.273 225 L C 1.770 178.634 176.870 -0.009 0.000 1.138 225 L CA -0.165 54.679 54.840 0.006 0.000 0.832 225 L CB 0.549 42.621 42.059 0.022 0.000 1.124 225 L HN 0.446 nan 8.230 nan 0.000 0.454 226 I N -0.706 119.860 120.570 -0.006 0.000 2.494 226 I HA 0.078 4.242 4.170 -0.011 0.000 0.250 226 I C 0.969 177.078 176.117 -0.013 0.000 1.112 226 I CA 0.249 61.543 61.300 -0.010 0.000 1.438 226 I CB 0.106 38.103 38.000 -0.006 0.000 1.111 226 I HN 0.623 nan 8.210 nan 0.000 0.431 227 S N 0.056 115.751 115.700 -0.008 0.000 2.667 227 S HA 0.432 4.896 4.470 -0.011 0.000 0.292 227 S C 0.145 174.738 174.600 -0.011 0.000 1.126 227 S CA -0.627 57.566 58.200 -0.011 0.000 0.881 227 S CB 2.290 65.488 63.200 -0.004 0.000 1.132 227 S HN 0.116 nan 8.310 nan 0.000 0.492 228 E N 0.470 120.659 120.200 -0.018 0.000 2.208 228 E HA 0.133 4.476 4.350 -0.011 0.000 0.193 228 E C 1.352 177.950 176.600 -0.003 0.000 0.988 228 E CA 0.725 57.110 56.400 -0.025 0.000 0.828 228 E CB -0.477 29.201 29.700 -0.036 0.000 0.763 228 E HN 0.599 nan 8.360 nan 0.000 0.478 229 L N -0.200 121.027 121.223 0.006 0.000 2.549 229 L HA -0.000 4.333 4.340 -0.011 0.000 0.229 229 L C 1.878 178.768 176.870 0.033 0.000 1.158 229 L CA 0.537 55.389 54.840 0.020 0.000 0.842 229 L CB -0.273 41.798 42.059 0.019 0.000 0.952 229 L HN 0.130 nan 8.230 nan 0.000 0.452 230 A N -0.199 122.641 122.820 0.033 0.000 2.178 230 A HA 0.192 4.506 4.320 -0.011 0.000 0.211 230 A C 1.121 178.758 177.584 0.088 0.000 1.157 230 A CA -0.087 51.976 52.037 0.045 0.000 0.780 230 A CB -0.110 18.908 19.000 0.031 0.000 0.828 230 A HN 0.266 nan 8.150 nan 0.000 0.476 231 I N 1.657 122.292 120.570 0.108 0.000 2.363 231 I HA 0.287 4.451 4.170 -0.011 0.000 0.292 231 I C -0.602 175.654 176.117 0.232 0.000 1.075 231 I CA 0.359 61.788 61.300 0.215 0.000 1.333 231 I CB 0.249 38.309 38.000 0.100 0.000 1.415 231 I HN 0.180 nan 8.210 nan 0.000 0.502 232 L N 7.484 128.894 121.223 0.312 0.000 2.403 232 L HA 0.606 4.939 4.340 -0.011 0.000 0.253 232 L C -2.534 174.432 176.870 0.160 0.000 1.045 232 L CA -1.934 53.041 54.840 0.226 0.000 0.845 232 L CB 2.036 44.145 42.059 0.083 0.000 1.447 232 L HN 0.263 nan 8.230 nan 0.000 0.411 233 P HA 0.182 nan 4.420 nan 0.000 0.274 233 P C -2.627 174.354 177.300 -0.532 0.000 1.256 233 P CA -1.143 61.491 63.100 -0.777 0.000 0.795 233 P CB -0.259 30.888 31.700 -0.922 0.000 1.038 234 P HA -0.038 nan 4.420 nan 0.000 0.263 234 P C 0.509 177.733 177.300 -0.127 0.000 1.195 234 P CA 0.508 63.334 63.100 -0.457 0.000 0.762 234 P CB 0.369 31.529 31.700 -0.900 0.000 0.799 235 S N 1.196 116.864 115.700 -0.054 0.000 2.406 235 S HA -0.079 4.385 4.470 -0.011 0.000 0.228 235 S C 0.719 175.316 174.600 -0.005 0.000 1.020 235 S CA 0.664 58.863 58.200 -0.002 0.000 0.965 235 S CB -0.211 62.981 63.200 -0.014 0.000 0.798 235 S HN 0.509 nan 8.310 nan 0.000 0.488 236 D N 0.694 121.104 120.400 0.017 0.000 2.420 236 D HA 0.429 5.062 4.640 -0.011 0.000 0.255 236 D C 1.019 177.393 176.300 0.123 0.000 1.185 236 D CA -0.220 53.810 54.000 0.050 0.000 0.904 236 D CB 1.173 42.004 40.800 0.052 0.000 1.102 236 D HN 0.177 nan 8.370 nan 0.000 0.534 237 G N 2.791 111.675 108.800 0.140 0.000 2.450 237 G HA2 -0.273 3.681 3.960 -0.011 0.000 0.220 237 G HA3 -0.273 3.681 3.960 -0.011 0.000 0.220 237 G C 1.141 176.225 174.900 0.307 0.000 1.130 237 G CA 0.608 45.886 45.100 0.296 0.000 0.760 237 G HN 0.557 nan 8.290 nan 0.000 0.557 238 E N -0.385 119.923 120.200 0.179 0.000 2.046 238 E HA -0.128 4.216 4.350 -0.011 0.000 0.190 238 E C 2.543 179.233 176.600 0.151 0.000 0.982 238 E CA 0.704 57.188 56.400 0.140 0.000 0.800 238 E CB -0.031 29.721 29.700 0.086 0.000 0.756 238 E HN 0.269 nan 8.360 nan 0.000 0.449 239 Q N -0.177 119.709 119.800 0.143 0.000 2.124 239 Q HA -0.159 4.175 4.340 -0.011 0.000 0.202 239 Q C 1.965 178.065 176.000 0.167 0.000 0.977 239 Q CA 0.987 56.863 55.803 0.122 0.000 0.850 239 Q CB -0.453 28.339 28.738 0.090 0.000 0.901 239 Q HN 0.346 nan 8.270 nan 0.000 0.429 240 F N 0.908 120.917 119.950 0.099 0.000 2.134 240 F HA -0.143 4.377 4.527 -0.011 0.000 0.299 240 F C 1.922 177.870 175.800 0.247 0.000 1.097 240 F CA 1.045 59.122 58.000 0.129 0.000 1.264 240 F CB -0.111 38.920 39.000 0.051 0.000 1.001 240 F HN -0.024 nan 8.300 nan 0.000 0.479 241 L N -0.619 120.789 121.223 0.309 0.000 2.291 241 L HA -0.174 4.160 4.340 -0.011 0.000 0.214 241 L C 2.337 179.254 176.870 0.079 0.000 1.120 241 L CA 0.797 55.720 54.840 0.138 0.000 0.799 241 L CB -0.419 41.724 42.059 0.139 0.000 0.925 241 L HN 0.269 nan 8.230 nan 0.000 0.446 242 M N -0.359 119.326 119.600 0.142 0.000 2.160 242 M HA -0.091 4.382 4.480 -0.011 0.000 0.264 242 M C 1.471 177.901 176.300 0.216 0.000 1.073 242 M CA 1.661 57.045 55.300 0.139 0.000 1.142 242 M CB 0.045 32.695 32.600 0.083 0.000 1.358 242 M HN 0.433 nan 8.290 nan 0.000 0.422 243 N N -2.515 116.252 118.700 0.113 0.000 1.952 243 N HA 0.046 4.779 4.740 -0.011 0.000 0.231 243 N C 1.423 176.774 175.510 -0.266 0.000 1.378 243 N CA 0.654 53.650 53.050 -0.091 0.000 0.828 243 N CB -0.195 38.250 38.487 -0.070 0.000 1.097 243 N HN 0.230 nan 8.380 nan 0.000 0.476 244 G N 1.700 110.376 108.800 -0.206 0.000 2.432 244 G HA2 -0.277 3.677 3.960 -0.011 0.000 0.219 244 G HA3 -0.277 3.677 3.960 -0.011 0.000 0.219 244 G C 1.318 175.839 174.900 -0.631 0.000 1.135 244 G CA 1.236 46.154 45.100 -0.303 0.000 0.767 244 G HN 0.552 nan 8.290 nan 0.000 0.550 245 Y N 0.122 119.808 120.300 -1.023 0.000 2.483 245 Y HA 0.180 4.724 4.550 -0.011 0.000 0.291 245 Y C 2.118 177.839 175.900 -0.298 0.000 1.143 245 Y CA 0.446 58.046 58.100 -0.832 0.000 1.289 245 Y CB -0.345 37.745 38.460 -0.616 0.000 0.983 245 Y HN 0.115 nan 8.280 nan 0.000 0.556 246 L N 0.688 121.357 121.223 -0.922 0.000 2.240 246 L HA -0.029 4.305 4.340 -0.011 0.000 0.211 246 L C 1.715 178.429 176.870 -0.261 0.000 1.106 246 L CA 0.490 54.961 54.840 -0.615 0.000 0.793 246 L CB -0.549 41.137 42.059 -0.622 0.000 0.927 246 L HN 0.358 nan 8.230 nan 0.000 0.446 247 S N -0.703 114.876 115.700 -0.203 0.000 2.596 247 S HA -0.015 4.448 4.470 -0.011 0.000 0.260 247 S C 0.941 175.540 174.600 -0.001 0.000 1.336 247 S CA -0.482 57.677 58.200 -0.068 0.000 0.993 247 S CB 0.954 64.136 63.200 -0.031 0.000 0.923 247 S HN 0.121 nan 8.310 nan 0.000 0.567 248 M N 1.020 120.661 119.600 0.068 0.000 2.117 248 M HA -0.014 4.460 4.480 -0.011 0.000 0.262 248 M C 1.734 178.084 176.300 0.084 0.000 1.065 248 M CA 1.646 57.051 55.300 0.174 0.000 1.114 248 M CB -1.307 31.489 32.600 0.328 0.000 1.361 248 M HN 0.886 nan 8.290 nan 0.000 0.408 249 Y N -0.021 120.020 120.300 -0.431 0.000 2.128 249 Y HA -0.075 4.469 4.550 -0.010 0.000 0.284 249 Y C 2.000 177.769 175.900 -0.217 0.000 1.154 249 Y CA 2.095 59.591 58.100 -1.006 0.000 1.149 249 Y CB -1.083 36.709 38.460 -1.113 0.000 0.976 249 Y HN 0.245 nan 8.280 nan 0.000 0.505 250 G N 0.429 109.134 108.800 -0.159 0.000 2.418 250 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.217 250 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.217 250 G C 1.655 176.623 174.900 0.113 0.000 1.158 250 G CA 1.069 46.183 45.100 0.023 0.000 0.771 250 G HN 0.436 nan 8.290 nan 0.000 0.545 251 K N 0.274 120.737 120.400 0.104 0.000 2.057 251 K HA -0.069 4.244 4.320 -0.011 0.000 0.207 251 K C 2.120 178.872 176.600 0.254 0.000 1.049 251 K CA 1.334 57.731 56.287 0.184 0.000 0.931 251 K CB -0.127 32.488 32.500 0.191 0.000 0.714 251 K HN 0.135 nan 8.250 nan 0.000 0.440 252 D N 0.087 120.687 120.400 0.334 0.000 2.117 252 D HA -0.159 4.475 4.640 -0.011 0.000 0.198 252 D C 1.772 178.301 176.300 0.381 0.000 0.982 252 D CA 0.972 55.306 54.000 0.557 0.000 0.828 252 D CB -0.297 41.062 40.800 0.931 0.000 0.967 252 D HN 0.162 nan 8.370 nan 0.000 0.464 253 Y N 1.446 121.769 120.300 0.039 0.000 2.145 253 Y HA -0.140 4.404 4.550 -0.010 0.000 0.286 253 Y C 2.163 177.994 175.900 -0.115 0.000 1.145 253 Y CA 1.343 59.275 58.100 -0.281 0.000 1.148 253 Y CB -0.438 37.482 38.460 -0.901 0.000 0.981 253 Y HN -0.092 nan 8.280 nan 0.000 0.507 254 L N 0.122 121.310 121.223 -0.058 0.000 2.141 254 L HA -0.179 4.154 4.340 -0.011 0.000 0.209 254 L C 2.545 179.429 176.870 0.023 0.000 1.094 254 L CA 1.691 56.535 54.840 0.008 0.000 0.763 254 L CB -0.541 41.649 42.059 0.218 0.000 0.908 254 L HN 0.353 nan 8.230 nan 0.000 0.437 255 E N -0.129 120.103 120.200 0.054 0.000 2.028 255 E HA -0.284 4.060 4.350 -0.011 0.000 0.191 255 E C 2.103 178.634 176.600 -0.115 0.000 0.988 255 E CA 1.556 57.996 56.400 0.067 0.000 0.799 255 E CB -0.249 29.583 29.700 0.220 0.000 0.755 255 E HN 0.465 nan 8.360 nan 0.000 0.447 256 W N 0.437 121.379 121.300 -0.597 0.000 2.335 256 W HA -0.287 4.367 4.660 -0.010 0.000 0.311 256 W C 2.036 178.285 176.519 -0.449 0.000 1.213 256 W CA 2.031 58.850 57.345 -0.876 0.000 1.274 256 W CB -0.759 28.026 29.460 -1.125 0.000 1.148 256 W HN 0.208 nan 8.180 nan 0.000 0.498 257 Y N 1.301 121.244 120.300 -0.594 0.000 2.081 257 Y HA -0.359 4.185 4.550 -0.010 0.000 0.280 257 Y C 2.852 178.560 175.900 -0.320 0.000 1.163 257 Y CA 2.962 60.668 58.100 -0.656 0.000 1.135 257 Y CB -1.171 36.911 38.460 -0.630 0.000 0.970 257 Y HN 0.212 nan 8.280 nan 0.000 0.498 258 Q N -0.708 119.023 119.800 -0.115 0.000 2.172 258 Q HA -0.074 4.260 4.340 -0.011 0.000 0.200 258 Q C 2.397 178.326 176.000 -0.118 0.000 0.964 258 Q CA 1.158 56.927 55.803 -0.056 0.000 0.855 258 Q CB -0.522 28.255 28.738 0.065 0.000 0.918 258 Q HN 0.600 nan 8.270 nan 0.000 0.444 259 G N 1.711 110.398 108.800 -0.188 0.000 2.469 259 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.219 259 G HA3 -0.260 3.693 3.960 -0.011 0.000 0.219 259 G C 1.359 176.128 174.900 -0.218 0.000 1.150 259 G CA 0.998 45.993 45.100 -0.175 0.000 0.763 259 G HN 0.345 nan 8.290 nan 0.000 0.561 260 I N 1.024 121.358 120.570 -0.395 0.000 2.151 260 I HA -0.152 4.011 4.170 -0.011 0.000 0.243 260 I C 2.862 178.855 176.117 -0.208 0.000 1.080 260 I CA 0.960 62.054 61.300 -0.344 0.000 1.339 260 I CB -1.264 36.454 38.000 -0.469 0.000 1.039 260 I HN 0.189 nan 8.210 nan 0.000 0.409 261 L N 0.156 121.250 121.223 -0.216 0.000 2.093 261 L HA -0.185 4.149 4.340 -0.011 0.000 0.208 261 L C 2.504 179.381 176.870 0.011 0.000 1.085 261 L CA 1.237 56.007 54.840 -0.116 0.000 0.755 261 L CB -0.594 41.407 42.059 -0.097 0.000 0.904 261 L HN 0.285 nan 8.230 nan 0.000 0.435 262 E N 0.101 120.305 120.200 0.007 0.000 2.072 262 E HA -0.179 4.165 4.350 -0.011 0.000 0.191 262 E C 1.934 178.538 176.600 0.007 0.000 0.985 262 E CA 1.091 57.513 56.400 0.037 0.000 0.801 262 E CB -0.085 29.646 29.700 0.051 0.000 0.750 262 E HN 0.464 nan 8.360 nan 0.000 0.452 263 N N 0.353 119.051 118.700 -0.005 0.000 2.188 263 N HA -0.169 4.564 4.740 -0.011 0.000 0.184 263 N C 1.734 177.243 175.510 -0.002 0.000 1.018 263 N CA 1.134 54.182 53.050 -0.003 0.000 0.858 263 N CB -0.483 38.001 38.487 -0.005 0.000 0.989 263 N HN 0.258 nan 8.380 nan 0.000 0.426 264 H N 0.655 119.668 119.070 -0.095 0.000 2.353 264 H HA -0.011 4.539 4.556 -0.010 0.000 0.300 264 H C 1.593 176.865 175.328 -0.092 0.000 1.090 264 H CA 2.102 58.088 56.048 -0.102 0.000 1.327 264 H CB -0.297 29.393 29.762 -0.122 0.000 1.383 264 H HN 0.066 nan 8.280 nan 0.000 0.508 265 T N 0.449 114.940 114.554 -0.106 0.000 2.720 265 T HA -0.138 4.206 4.350 -0.011 0.000 0.268 265 T C 1.867 176.444 174.700 -0.204 0.000 1.037 265 T CA 1.745 63.705 62.100 -0.234 0.000 1.144 265 T CB -0.089 68.590 68.868 -0.315 0.000 0.864 265 T HN 0.384 nan 8.240 nan 0.000 0.444 266 K N 0.301 120.628 120.400 -0.121 0.000 2.097 266 K HA 0.030 4.344 4.320 -0.011 0.000 0.205 266 K C 2.141 178.700 176.600 -0.070 0.000 1.050 266 K CA 0.684 56.930 56.287 -0.069 0.000 0.938 266 K CB -0.278 32.205 32.500 -0.029 0.000 0.718 266 K HN 0.127 nan 8.250 nan 0.000 0.442 267 L N 1.902 123.058 121.223 -0.111 0.000 1.988 267 L HA -0.117 4.217 4.340 -0.011 0.000 0.207 267 L C 2.015 178.821 176.870 -0.107 0.000 1.071 267 L CA 1.501 56.272 54.840 -0.114 0.000 0.744 267 L CB -0.460 41.505 42.059 -0.156 0.000 0.893 267 L HN 0.232 nan 8.230 nan 0.000 0.433 268 I N -3.084 117.375 120.570 -0.185 0.000 2.454 268 I HA -0.014 4.150 4.170 -0.011 0.000 0.254 268 I C 2.224 178.354 176.117 0.022 0.000 1.156 268 I CA 1.269 62.553 61.300 -0.027 0.000 1.433 268 I CB -1.464 36.515 38.000 -0.035 0.000 1.082 268 I HN 0.241 nan 8.210 nan 0.000 0.432 269 G N 1.095 109.866 108.800 -0.048 0.000 2.404 269 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.215 269 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.215 269 G C 1.557 176.508 174.900 0.085 0.000 1.174 269 G CA 0.876 45.966 45.100 -0.017 0.000 0.780 269 G HN 0.579 nan 8.290 nan 0.000 0.537 270 E N 0.213 120.462 120.200 0.082 0.000 2.023 270 E HA -0.129 4.214 4.350 -0.011 0.000 0.196 270 E C 2.595 179.249 176.600 0.090 0.000 1.003 270 E CA 0.944 57.402 56.400 0.095 0.000 0.809 270 E CB -0.263 29.462 29.700 0.042 0.000 0.755 270 E HN 0.432 nan 8.360 nan 0.000 0.449 271 L N 0.486 121.758 121.223 0.083 0.000 2.013 271 L HA -0.243 4.090 4.340 -0.011 0.000 0.212 271 L C 2.788 179.737 176.870 0.132 0.000 1.073 271 L CA 1.452 56.365 54.840 0.122 0.000 0.753 271 L CB -0.643 41.512 42.059 0.160 0.000 0.890 271 L HN 0.239 nan 8.230 nan 0.000 0.432 272 A N -1.092 121.781 122.820 0.088 0.000 1.877 272 A HA -0.221 4.093 4.320 -0.011 0.000 0.216 272 A C 2.160 179.686 177.584 -0.097 0.000 1.186 272 A CA 1.412 53.356 52.037 -0.155 0.000 0.620 272 A CB -0.787 18.083 19.000 -0.217 0.000 0.822 272 A HN 0.416 nan 8.150 nan 0.000 0.443 273 H N 0.319 119.413 119.070 0.041 0.000 2.319 273 H HA -0.101 4.448 4.556 -0.011 0.000 0.299 273 H C 2.001 177.340 175.328 0.019 0.000 1.092 273 H CA 1.773 57.853 56.048 0.053 0.000 1.302 273 H CB -0.273 29.511 29.762 0.036 0.000 1.373 273 H HN 0.438 nan 8.280 nan 0.000 0.497 274 N N 0.637 119.399 118.700 0.104 0.000 2.120 274 N HA -0.104 4.630 4.740 -0.011 0.000 0.188 274 N C 2.045 177.531 175.510 -0.039 0.000 1.024 274 N CA 1.311 54.381 53.050 0.033 0.000 0.852 274 N CB -0.439 38.058 38.487 0.017 0.000 1.003 274 N HN 0.338 nan 8.380 nan 0.000 0.424 275 A N -0.549 122.165 122.820 -0.178 0.000 1.968 275 A HA 0.060 4.374 4.320 -0.011 0.000 0.217 275 A C 1.645 179.028 177.584 -0.335 0.000 1.169 275 A CA 0.840 52.650 52.037 -0.378 0.000 0.638 275 A CB -0.456 18.125 19.000 -0.699 0.000 0.812 275 A HN 0.298 nan 8.150 nan 0.000 0.446 276 F N -1.060 118.961 119.950 0.119 0.000 2.694 276 F HA 0.084 4.605 4.527 -0.010 0.000 0.292 276 F C 1.715 177.640 175.800 0.208 0.000 1.121 276 F CA -0.147 57.983 58.000 0.217 0.000 1.352 276 F CB 0.139 39.203 39.000 0.106 0.000 1.107 276 F HN 0.040 nan 8.300 nan 0.000 0.597 277 D N 0.753 121.332 120.400 0.300 0.000 2.106 277 D HA -0.165 4.469 4.640 -0.011 0.000 0.191 277 D C 2.181 178.562 176.300 0.134 0.000 0.997 277 D CA 2.196 56.327 54.000 0.218 0.000 0.834 277 D CB -0.784 40.123 40.800 0.178 0.000 0.956 277 D HN 0.120 nan 8.370 nan 0.000 0.448 278 T N 0.347 114.949 114.554 0.080 0.000 2.652 278 T HA -0.131 4.212 4.350 -0.011 0.000 0.267 278 T C 2.045 176.724 174.700 -0.034 0.000 1.039 278 T CA 2.213 64.323 62.100 0.017 0.000 1.153 278 T CB -0.674 68.190 68.868 -0.006 0.000 0.863 278 T HN 0.208 nan 8.240 nan 0.000 0.428 279 T N 1.443 115.948 114.554 -0.081 0.000 2.698 279 T HA 0.049 4.393 4.350 -0.011 0.000 0.260 279 T C 1.693 176.146 174.700 -0.411 0.000 1.044 279 T CA 1.131 63.036 62.100 -0.324 0.000 1.149 279 T CB -0.549 67.980 68.868 -0.566 0.000 0.864 279 T HN 0.350 nan 8.240 nan 0.000 0.419 280 F N 1.061 121.052 119.950 0.068 0.000 2.262 280 F HA 0.200 4.719 4.527 -0.012 0.000 0.292 280 F C 1.094 176.913 175.800 0.032 0.000 1.081 280 F CA -0.208 57.816 58.000 0.040 0.000 1.355 280 F CB -0.612 38.403 39.000 0.026 0.000 1.069 280 F HN 0.034 nan 8.300 nan 0.000 0.506 281 Q N 0.463 120.392 119.800 0.214 0.000 2.451 281 Q HA -0.139 4.194 4.340 -0.011 0.000 0.305 281 Q C -0.838 175.234 176.000 0.121 0.000 1.345 281 Q CA 0.376 56.261 55.803 0.137 0.000 0.854 281 Q CB -2.066 26.720 28.738 0.080 0.000 1.162 281 Q HN 0.352 nan 8.270 nan 0.000 0.440 282 V N -4.667 115.321 119.914 0.123 0.000 3.046 282 V HA 0.887 5.000 4.120 -0.011 0.000 0.316 282 V C -2.387 173.716 176.094 0.015 0.000 1.104 282 V CA -2.755 59.575 62.300 0.051 0.000 1.006 282 V CB 1.782 33.607 31.823 0.002 0.000 1.058 282 V HN -0.051 nan 8.190 nan 0.000 0.440 283 P HA 0.493 nan 4.420 nan 0.000 0.271 283 P C -0.863 176.357 177.300 -0.134 0.000 1.218 283 P CA 0.132 63.209 63.100 -0.037 0.000 0.780 283 P CB 0.365 32.035 31.700 -0.050 0.000 0.901 284 I N 1.514 122.014 120.570 -0.117 0.000 2.465 284 I HA 0.590 4.754 4.170 -0.011 0.000 0.291 284 I C 0.652 176.666 176.117 -0.171 0.000 1.014 284 I CA -0.319 60.847 61.300 -0.223 0.000 1.093 284 I CB 2.218 40.044 38.000 -0.290 0.000 1.267 284 I HN 0.393 nan 8.210 nan 0.000 0.431 285 G N 3.674 112.329 108.800 -0.242 0.000 2.714 285 G HA2 0.899 4.852 3.960 -0.011 0.000 0.292 285 G HA3 0.899 4.852 3.960 -0.011 0.000 0.292 285 G C -1.684 173.311 174.900 0.158 0.000 1.308 285 G CA -0.647 44.413 45.100 -0.068 0.000 0.964 285 G HN 0.779 nan 8.290 nan 0.000 0.484 286 A N -0.207 122.828 122.820 0.359 0.000 2.566 286 A HA 0.853 5.167 4.320 -0.011 0.000 0.292 286 A C -0.809 177.067 177.584 0.488 0.000 1.112 286 A CA -0.776 51.499 52.037 0.397 0.000 0.707 286 A CB 1.719 20.867 19.000 0.247 0.000 1.302 286 A HN 0.562 nan 8.150 nan 0.000 0.409 287 K N 0.545 121.148 120.400 0.339 0.000 2.207 287 K HA 0.700 5.014 4.320 -0.011 0.000 0.255 287 K C -1.358 175.405 176.600 0.270 0.000 0.941 287 K CA -0.279 56.153 56.287 0.242 0.000 0.825 287 K CB 2.197 34.732 32.500 0.058 0.000 1.119 287 K HN 0.557 nan 8.250 nan 0.000 0.430 288 I N 2.135 122.831 120.570 0.209 0.000 2.378 288 I HA 0.271 4.435 4.170 -0.011 0.000 0.291 288 I C -0.119 176.059 176.117 0.102 0.000 0.992 288 I CA -0.827 60.602 61.300 0.216 0.000 1.154 288 I CB 1.871 39.955 38.000 0.140 0.000 1.315 288 I HN 0.687 nan 8.210 nan 0.000 0.448 289 A N 4.446 127.421 122.820 0.258 0.000 2.401 289 A HA 0.527 4.840 4.320 -0.011 0.000 0.259 289 A C 0.640 178.255 177.584 0.052 0.000 1.103 289 A CA -0.270 51.865 52.037 0.163 0.000 0.789 289 A CB 0.306 19.510 19.000 0.341 0.000 1.035 289 A HN 0.901 nan 8.150 nan 0.000 0.491 290 G N 1.517 110.168 108.800 -0.247 0.000 2.770 290 G HA2 0.443 4.397 3.960 -0.011 0.000 0.307 290 G HA3 0.443 4.397 3.960 -0.011 0.000 0.307 290 G C -0.258 174.711 174.900 0.115 0.000 0.863 290 G CA -0.206 44.782 45.100 -0.186 0.000 1.595 290 G HN 0.650 nan 8.290 nan 0.000 0.496 291 V N 4.003 123.999 119.914 0.137 0.000 2.276 291 V HA 0.074 4.187 4.120 -0.011 0.000 0.249 291 V C 1.197 177.209 176.094 -0.136 0.000 1.160 291 V CA -0.278 61.858 62.300 -0.274 0.000 1.042 291 V CB -0.786 30.859 31.823 -0.297 0.000 1.224 291 V HN 0.955 nan 8.190 nan 0.000 0.496 292 H N 1.551 120.678 119.070 0.096 0.000 2.525 292 H HA 0.067 4.617 4.556 -0.011 0.000 0.275 292 H C 0.711 176.237 175.328 0.330 0.000 0.984 292 H CA -0.365 55.816 56.048 0.222 0.000 1.264 292 H CB -0.180 29.712 29.762 0.215 0.000 1.432 292 H HN 0.637 nan 8.280 nan 0.000 0.549 293 W N 0.976 122.294 121.300 0.030 0.000 2.184 293 W HA 0.381 5.034 4.660 -0.011 0.000 0.338 293 W C 0.005 176.596 176.519 0.120 0.000 1.257 293 W CA -0.980 56.444 57.345 0.130 0.000 1.243 293 W CB 0.914 30.360 29.460 -0.023 0.000 1.122 293 W HN 0.018 nan 8.180 nan 0.000 0.585 294 Q N 0.500 120.491 119.800 0.318 0.000 2.452 294 Q HA -0.359 3.974 4.340 -0.011 0.000 0.248 294 Q C 0.613 176.630 176.000 0.028 0.000 0.874 294 Q CA 1.731 57.629 55.803 0.159 0.000 1.208 294 Q CB -2.857 25.915 28.738 0.055 0.000 1.569 294 Q HN 0.933 nan 8.270 nan 0.000 0.579 295 Y N 2.262 122.564 120.300 0.003 0.000 2.145 295 Y HA -0.160 4.383 4.550 -0.010 0.000 0.286 295 Y C 1.561 177.238 175.900 -0.372 0.000 1.145 295 Y CA 2.321 60.363 58.100 -0.096 0.000 1.148 295 Y CB 0.184 38.706 38.460 0.104 0.000 0.981 295 Y HN 0.439 nan 8.280 nan 0.000 0.507 296 N N -0.019 118.671 118.700 -0.016 0.000 2.467 296 N HA 0.005 4.739 4.740 -0.011 0.000 0.278 296 N C -1.099 174.171 175.510 -0.400 0.000 1.306 296 N CA -0.157 52.793 53.050 -0.167 0.000 0.905 296 N CB -0.797 37.768 38.487 0.129 0.000 1.236 296 N HN 0.222 nan 8.380 nan 0.000 0.509 297 N N 2.716 121.058 118.700 -0.596 0.000 2.452 297 N HA 0.081 4.815 4.740 -0.011 0.000 0.266 297 N C -1.280 173.904 175.510 -0.543 0.000 1.175 297 N CA -1.195 51.246 53.050 -1.015 0.000 0.945 297 N CB 1.464 39.613 38.487 -0.562 0.000 1.063 297 N HN 0.120 nan 8.380 nan 0.000 0.472 298 P HA -0.101 nan 4.420 nan 0.000 0.218 298 P C 0.920 178.143 177.300 -0.128 0.000 1.148 298 P CA 1.361 64.339 63.100 -0.203 0.000 0.822 298 P CB 0.369 31.998 31.700 -0.118 0.000 0.784 299 T N 1.103 115.582 114.554 -0.125 0.000 2.852 299 T HA 0.052 4.395 4.350 -0.011 0.000 0.256 299 T C 1.344 176.013 174.700 -0.051 0.000 1.038 299 T CA 0.878 62.947 62.100 -0.052 0.000 1.141 299 T CB -0.367 68.493 68.868 -0.014 0.000 0.869 299 T HN 0.227 nan 8.240 nan 0.000 0.439 300 I N -0.025 120.484 120.570 -0.101 0.000 2.697 300 I HA 0.453 4.617 4.170 -0.011 0.000 0.279 300 I C -3.215 172.783 176.117 -0.199 0.000 1.171 300 I CA -2.928 58.307 61.300 -0.109 0.000 1.135 300 I CB 1.369 39.338 38.000 -0.052 0.000 1.445 300 I HN -0.222 nan 8.210 nan 0.000 0.541 301 P HA -0.029 nan 4.420 nan 0.000 0.262 301 P C -0.154 176.958 177.300 -0.313 0.000 1.182 301 P CA 0.643 63.530 63.100 -0.356 0.000 0.761 301 P CB 0.058 31.610 31.700 -0.246 0.000 0.795 302 H N 1.227 120.152 119.070 -0.242 0.000 2.655 302 H HA -0.163 4.386 4.556 -0.011 0.000 0.313 302 H C 1.463 176.684 175.328 -0.178 0.000 1.141 302 H CA 0.859 56.787 56.048 -0.201 0.000 1.138 302 H CB -1.959 27.677 29.762 -0.210 0.000 1.446 302 H HN 0.725 nan 8.280 nan 0.000 0.415 303 G N -0.536 108.194 108.800 -0.117 0.000 2.625 303 G HA2 0.100 4.053 3.960 -0.011 0.000 0.214 303 G HA3 0.100 4.053 3.960 -0.011 0.000 0.214 303 G C 1.427 176.240 174.900 -0.145 0.000 1.132 303 G CA 0.781 45.817 45.100 -0.107 0.000 0.782 303 G HN 0.607 nan 8.290 nan 0.000 0.538 304 A N 0.147 122.832 122.820 -0.226 0.000 2.013 304 A HA 0.355 4.669 4.320 -0.011 0.000 0.204 304 A C 1.927 179.313 177.584 -0.330 0.000 1.262 304 A CA 0.937 52.723 52.037 -0.419 0.000 0.800 304 A CB 0.174 18.521 19.000 -1.087 0.000 0.909 304 A HN 0.293 nan 8.150 nan 0.000 0.472 305 E N 0.724 120.819 120.200 -0.175 0.000 2.028 305 E HA -0.161 4.183 4.350 -0.011 0.000 0.191 305 E C 1.863 178.444 176.600 -0.032 0.000 0.988 305 E CA 1.456 57.848 56.400 -0.013 0.000 0.799 305 E CB -0.149 29.654 29.700 0.171 0.000 0.755 305 E HN 0.495 nan 8.360 nan 0.000 0.447 306 K N 0.061 120.450 120.400 -0.019 0.000 2.044 306 K HA -0.163 4.151 4.320 -0.011 0.000 0.210 306 K C -0.737 175.864 176.600 0.002 0.000 1.049 306 K CA 1.667 57.981 56.287 0.045 0.000 0.927 306 K CB -0.941 31.620 32.500 0.103 0.000 0.713 306 K HN 0.103 nan 8.250 nan 0.000 0.443 307 P HA -0.112 nan 4.420 nan 0.000 0.220 307 P C 0.670 177.945 177.300 -0.041 0.000 1.148 307 P CA 1.268 64.056 63.100 -0.519 0.000 0.803 307 P CB 0.091 31.431 31.700 -0.601 0.000 0.782 308 A N -1.000 121.777 122.820 -0.071 0.000 2.206 308 A HA 0.363 4.677 4.320 -0.011 0.000 0.211 308 A C 1.723 179.202 177.584 -0.176 0.000 1.158 308 A CA 1.104 53.061 52.037 -0.134 0.000 0.761 308 A CB -1.208 17.626 19.000 -0.277 0.000 0.801 308 A HN 0.260 nan 8.150 nan 0.000 0.473 309 G N -2.731 106.083 108.800 0.023 0.000 2.179 309 G HA2 -0.203 3.750 3.960 -0.011 0.000 0.220 309 G HA3 -0.203 3.750 3.960 -0.011 0.000 0.220 309 G C -0.277 174.698 174.900 0.125 0.000 0.990 309 G CA 0.065 45.210 45.100 0.075 0.000 0.646 309 G HN 0.352 nan 8.290 nan 0.000 0.517 310 Y N 1.482 121.792 120.300 0.017 0.000 2.594 310 Y HA 0.514 5.058 4.550 -0.010 0.000 0.342 310 Y C 1.001 176.734 175.900 -0.278 0.000 1.010 310 Y CA -1.489 56.479 58.100 -0.220 0.000 1.270 310 Y CB 0.524 38.805 38.460 -0.297 0.000 1.125 310 Y HN 0.269 nan 8.280 nan 0.000 0.513 311 N N 1.059 119.718 118.700 -0.069 0.000 2.382 311 N HA -0.054 4.680 4.740 -0.011 0.000 0.200 311 N C -0.895 174.528 175.510 -0.145 0.000 1.122 311 N CA 0.365 53.373 53.050 -0.071 0.000 0.870 311 N CB 0.795 39.328 38.487 0.077 0.000 1.176 311 N HN 0.503 nan 8.380 nan 0.000 0.474 312 D N -0.183 120.118 120.400 -0.164 0.000 2.323 312 D HA 0.099 4.733 4.640 -0.011 0.000 0.242 312 D C 0.000 176.224 176.300 -0.128 0.000 1.347 312 D CA -0.487 53.426 54.000 -0.144 0.000 0.988 312 D CB 0.114 40.852 40.800 -0.103 0.000 1.314 312 D HN 0.035 nan 8.370 nan 0.000 0.564 313 Y N 1.382 121.646 120.300 -0.060 0.000 2.274 313 Y HA -0.197 4.347 4.550 -0.010 0.000 0.290 313 Y C 2.617 178.475 175.900 -0.070 0.000 1.145 313 Y CA 1.367 59.419 58.100 -0.081 0.000 1.203 313 Y CB 0.084 38.469 38.460 -0.125 0.000 0.984 313 Y HN 0.337 nan 8.280 nan 0.000 0.533 314 S N -0.775 114.953 115.700 0.047 0.000 2.356 314 S HA -0.219 4.245 4.470 -0.011 0.000 0.223 314 S C 1.873 176.529 174.600 0.092 0.000 1.032 314 S CA 1.509 59.715 58.200 0.010 0.000 1.005 314 S CB -0.318 62.837 63.200 -0.075 0.000 0.867 314 S HN 0.468 nan 8.310 nan 0.000 0.449 315 H N 0.749 119.869 119.070 0.082 0.000 2.353 315 H HA 0.011 4.561 4.556 -0.011 0.000 0.300 315 H C 2.082 177.475 175.328 0.109 0.000 1.090 315 H CA 1.435 57.536 56.048 0.087 0.000 1.327 315 H CB -0.965 28.845 29.762 0.080 0.000 1.383 315 H HN 0.352 nan 8.280 nan 0.000 0.508 316 L N 0.562 121.924 121.223 0.233 0.000 2.042 316 L HA -0.125 4.209 4.340 -0.011 0.000 0.210 316 L C 2.210 179.248 176.870 0.280 0.000 1.076 316 L CA 1.335 56.314 54.840 0.232 0.000 0.749 316 L CB -0.750 41.412 42.059 0.172 0.000 0.893 316 L HN 0.156 nan 8.230 nan 0.000 0.432 317 L N -0.845 120.480 121.223 0.169 0.000 2.201 317 L HA -0.170 4.164 4.340 -0.011 0.000 0.212 317 L C 2.077 179.068 176.870 0.201 0.000 1.105 317 L CA 0.847 55.753 54.840 0.110 0.000 0.775 317 L CB -0.698 41.356 42.059 -0.008 0.000 0.913 317 L HN 0.293 nan 8.230 nan 0.000 0.440 318 D N 0.275 120.790 120.400 0.191 0.000 2.144 318 D HA -0.160 4.474 4.640 -0.011 0.000 0.199 318 D C 2.220 178.631 176.300 0.184 0.000 0.984 318 D CA 1.383 55.485 54.000 0.170 0.000 0.834 318 D CB 0.058 40.956 40.800 0.164 0.000 0.955 318 D HN 0.311 nan 8.370 nan 0.000 0.465 319 A N 0.169 123.124 122.820 0.225 0.000 1.902 319 A HA -0.165 4.148 4.320 -0.011 0.000 0.217 319 A C 1.989 179.670 177.584 0.162 0.000 1.181 319 A CA 0.962 53.102 52.037 0.172 0.000 0.623 319 A CB -0.889 18.209 19.000 0.162 0.000 0.818 319 A HN 0.133 nan 8.150 nan 0.000 0.443 320 F N -0.078 119.915 119.950 0.072 0.000 2.186 320 F HA -0.064 4.456 4.527 -0.011 0.000 0.299 320 F C 2.226 178.066 175.800 0.067 0.000 1.090 320 F CA 1.743 59.786 58.000 0.073 0.000 1.307 320 F CB -0.266 38.778 39.000 0.073 0.000 1.019 320 F HN 0.153 nan 8.300 nan 0.000 0.489 321 K N 0.782 121.331 120.400 0.248 0.000 2.002 321 K HA -0.158 4.156 4.320 -0.011 0.000 0.209 321 K C 2.290 178.951 176.600 0.103 0.000 1.048 321 K CA 1.910 58.286 56.287 0.149 0.000 0.930 321 K CB -0.495 32.074 32.500 0.116 0.000 0.714 321 K HN 0.226 nan 8.250 nan 0.000 0.438 322 S N 0.042 115.796 115.700 0.090 0.000 2.368 322 S HA -0.100 4.364 4.470 -0.011 0.000 0.225 322 S C 2.205 176.834 174.600 0.047 0.000 1.030 322 S CA 0.963 59.197 58.200 0.056 0.000 0.999 322 S CB -0.639 62.590 63.200 0.050 0.000 0.844 322 S HN 0.350 nan 8.310 nan 0.000 0.459 323 A N 1.351 124.202 122.820 0.051 0.000 2.168 323 A HA 0.167 4.481 4.320 -0.011 0.000 0.215 323 A C 0.964 178.629 177.584 0.136 0.000 1.152 323 A CA 0.696 52.765 52.037 0.053 0.000 0.716 323 A CB -0.704 18.276 19.000 -0.033 0.000 0.794 323 A HN 0.550 nan 8.150 nan 0.000 0.465 324 K N -1.546 118.928 120.400 0.124 0.000 3.239 324 K HA -0.140 4.173 4.320 -0.011 0.000 0.270 324 K C -1.139 175.629 176.600 0.279 0.000 1.049 324 K CA 0.558 56.942 56.287 0.162 0.000 0.769 324 K CB -1.907 30.601 32.500 0.013 0.000 1.305 324 K HN 0.513 nan 8.250 nan 0.000 0.469 325 L N 0.814 122.153 121.223 0.194 0.000 2.362 325 L HA 0.365 4.698 4.340 -0.011 0.000 0.275 325 L C 0.201 177.223 176.870 0.255 0.000 0.998 325 L CA -1.180 53.761 54.840 0.168 0.000 0.820 325 L CB 1.532 43.619 42.059 0.048 0.000 1.270 325 L HN -0.001 nan 8.230 nan 0.000 0.415 326 D N 1.652 122.155 120.400 0.172 0.000 2.382 326 D HA 0.203 4.837 4.640 -0.011 0.000 0.245 326 D C -0.322 176.125 176.300 0.246 0.000 1.120 326 D CA 0.071 54.163 54.000 0.154 0.000 0.890 326 D CB 2.220 43.057 40.800 0.062 0.000 1.201 326 D HN 0.079 nan 8.370 nan 0.000 0.433 327 V N 1.943 121.954 119.914 0.162 0.000 2.532 327 V HA 0.500 4.614 4.120 -0.011 0.000 0.295 327 V C -0.395 175.787 176.094 0.147 0.000 1.041 327 V CA -0.026 62.328 62.300 0.091 0.000 0.926 327 V CB 1.828 33.487 31.823 -0.274 0.000 0.992 327 V HN 0.556 nan 8.190 nan 0.000 0.457 328 T N 7.073 121.763 114.554 0.227 0.000 2.848 328 T HA 0.560 4.904 4.350 -0.011 0.000 0.285 328 T C -1.259 173.615 174.700 0.289 0.000 0.995 328 T CA -0.050 62.226 62.100 0.292 0.000 0.970 328 T CB 1.171 70.250 68.868 0.352 0.000 0.976 328 T HN 0.543 nan 8.240 nan 0.000 0.441 329 F N 2.388 122.435 119.950 0.162 0.000 2.561 329 F HA 0.667 5.187 4.527 -0.011 0.000 0.321 329 F C 0.693 176.590 175.800 0.161 0.000 1.065 329 F CA -0.475 57.602 58.000 0.129 0.000 0.934 329 F CB 1.791 40.855 39.000 0.105 0.000 1.215 329 F HN 0.650 nan 8.300 nan 0.000 0.471 330 T N -1.174 113.090 114.554 -0.483 0.000 2.876 330 T HA 0.354 4.698 4.350 -0.011 0.000 0.277 330 T C 0.436 175.058 174.700 -0.130 0.000 0.997 330 T CA 0.087 62.062 62.100 -0.207 0.000 0.966 330 T CB 0.944 69.700 68.868 -0.186 0.000 1.312 330 T HN 0.983 nan 8.240 nan 0.000 0.598 331 C N -0.412 118.883 119.300 -0.009 0.000 4.593 331 C HA -0.116 4.338 4.460 -0.011 0.000 0.263 331 C C 2.157 177.173 174.990 0.043 0.000 1.378 331 C CA 0.274 59.309 59.018 0.030 0.000 1.666 331 C CB -2.953 24.816 27.740 0.049 0.000 1.603 331 C HN 0.854 nan 8.230 nan 0.000 0.704 332 L N 1.395 122.661 121.223 0.070 0.000 2.189 332 L HA -0.174 4.159 4.340 -0.011 0.000 0.214 332 L C 2.633 179.455 176.870 -0.079 0.000 1.097 332 L CA 2.563 57.386 54.840 -0.029 0.000 0.764 332 L CB -0.569 41.434 42.059 -0.094 0.000 0.900 332 L HN 0.728 nan 8.230 nan 0.000 0.436 333 E N 0.070 120.257 120.200 -0.022 0.000 2.502 333 E HA -0.049 4.295 4.350 -0.011 0.000 0.194 333 E C 0.738 177.306 176.600 -0.054 0.000 1.062 333 E CA 0.136 56.514 56.400 -0.036 0.000 0.867 333 E CB 0.096 29.812 29.700 0.028 0.000 0.888 333 E HN 0.416 nan 8.360 nan 0.000 0.510 334 M N 1.027 120.585 119.600 -0.070 0.000 2.573 334 M HA 0.304 4.778 4.480 -0.011 0.000 0.309 334 M C 0.155 176.400 176.300 -0.091 0.000 1.202 334 M CA -0.629 54.614 55.300 -0.096 0.000 0.975 334 M CB 1.936 34.440 32.600 -0.160 0.000 1.600 334 M HN -0.109 nan 8.290 nan 0.000 0.479 335 T N -2.912 111.592 114.554 -0.083 0.000 2.950 335 T HA 0.450 4.793 4.350 -0.011 0.000 0.288 335 T C -0.622 174.042 174.700 -0.060 0.000 1.035 335 T CA -1.170 60.894 62.100 -0.060 0.000 1.028 335 T CB 1.196 70.043 68.868 -0.035 0.000 1.109 335 T HN 0.442 nan 8.240 nan 0.000 0.514 336 D N 0.850 121.227 120.400 -0.039 0.000 2.372 336 D HA 0.379 5.013 4.640 -0.011 0.000 0.243 336 D C 0.354 176.660 176.300 0.009 0.000 1.121 336 D CA -0.305 53.683 54.000 -0.020 0.000 0.898 336 D CB 1.729 42.521 40.800 -0.012 0.000 1.202 336 D HN 0.518 nan 8.370 nan 0.000 0.428 337 K N -0.384 120.039 120.400 0.038 0.000 2.524 337 K HA 0.271 4.584 4.320 -0.011 0.000 0.210 337 K C 0.999 177.646 176.600 0.078 0.000 1.340 337 K CA 0.366 56.682 56.287 0.048 0.000 0.880 337 K CB -0.253 32.276 32.500 0.049 0.000 1.616 337 K HN 0.518 nan 8.250 nan 0.000 0.457 338 G N 1.791 110.666 108.800 0.126 0.000 2.225 338 G HA2 -0.260 3.694 3.960 -0.011 0.000 0.267 338 G HA3 -0.260 3.694 3.960 -0.011 0.000 0.267 338 G C -0.118 174.893 174.900 0.185 0.000 1.024 338 G CA 0.731 45.957 45.100 0.210 0.000 0.784 338 G HN 0.433 nan 8.290 nan 0.000 0.507 339 S N -1.151 114.561 115.700 0.020 0.000 2.578 339 S HA 0.678 5.141 4.470 -0.011 0.000 0.301 339 S C -0.142 174.174 174.600 -0.474 0.000 1.091 339 S CA -0.950 57.192 58.200 -0.095 0.000 1.032 339 S CB 2.151 65.332 63.200 -0.031 0.000 1.064 339 S HN 1.193 nan 8.310 nan 0.000 0.508 340 Y N 3.516 123.411 120.300 -0.676 0.000 2.597 340 Y HA 0.320 4.864 4.550 -0.011 0.000 0.336 340 Y C -1.445 174.213 175.900 -0.403 0.000 1.216 340 Y CA -1.053 56.551 58.100 -0.828 0.000 1.463 340 Y CB 0.714 38.969 38.460 -0.342 0.000 1.303 340 Y HN 0.578 nan 8.280 nan 0.000 0.576 341 P HA 0.065 nan 4.420 nan 0.000 0.252 341 P C 0.208 177.149 177.300 -0.597 0.000 1.218 341 P CA 0.701 63.063 63.100 -1.229 0.000 0.807 341 P CB 0.576 31.527 31.700 -1.247 0.000 1.072 342 E N -0.088 119.838 120.200 -0.457 0.000 2.072 342 E HA -0.110 4.233 4.350 -0.011 0.000 0.191 342 E C -0.022 176.616 176.600 0.062 0.000 0.985 342 E CA 0.574 56.842 56.400 -0.221 0.000 0.801 342 E CB -1.082 28.539 29.700 -0.132 0.000 0.750 342 E HN 0.214 nan 8.360 nan 0.000 0.452 343 Y N 0.535 120.875 120.300 0.067 0.000 3.078 343 Y HA -0.248 4.296 4.550 -0.011 0.000 0.202 343 Y C -0.416 175.612 175.900 0.214 0.000 1.322 343 Y CA 0.204 58.380 58.100 0.127 0.000 1.118 343 Y CB -2.115 36.405 38.460 0.099 0.000 1.343 343 Y HN -0.001 nan 8.280 nan 0.000 0.499 344 S N 0.465 116.364 115.700 0.332 0.000 2.457 344 S HA 0.740 5.204 4.470 -0.011 0.000 0.289 344 S C 0.079 174.804 174.600 0.208 0.000 1.163 344 S CA -0.940 57.497 58.200 0.395 0.000 1.078 344 S CB 1.384 64.909 63.200 0.542 0.000 0.987 344 S HN 0.276 nan 8.310 nan 0.000 0.482 345 M N 3.424 123.082 119.600 0.096 0.000 2.746 345 M HA 0.308 4.781 4.480 -0.011 0.000 0.209 345 M C -2.504 173.657 176.300 -0.231 0.000 1.077 345 M CA -2.185 53.019 55.300 -0.160 0.000 0.695 345 M CB 0.305 32.642 32.600 -0.437 0.000 1.416 345 M HN 0.377 nan 8.290 nan 0.000 0.459 346 P HA -0.161 nan 4.420 nan 0.000 0.213 346 P C 1.571 178.821 177.300 -0.084 0.000 1.170 346 P CA 1.400 64.446 63.100 -0.090 0.000 0.898 346 P CB 0.323 31.887 31.700 -0.227 0.000 0.787 347 K N -0.452 119.886 120.400 -0.104 0.000 2.032 347 K HA -0.123 4.191 4.320 -0.011 0.000 0.209 347 K C 1.913 178.434 176.600 -0.132 0.000 1.048 347 K CA 2.265 58.491 56.287 -0.102 0.000 0.927 347 K CB -1.421 31.036 32.500 -0.072 0.000 0.712 347 K HN 0.017 nan 8.250 nan 0.000 0.441 348 T N 1.487 115.952 114.554 -0.148 0.000 2.746 348 T HA -0.101 4.243 4.350 -0.011 0.000 0.267 348 T C 1.713 176.301 174.700 -0.186 0.000 1.039 348 T CA 1.272 63.284 62.100 -0.146 0.000 1.142 348 T CB -0.271 68.510 68.868 -0.144 0.000 0.866 348 T HN 0.159 nan 8.240 nan 0.000 0.444 349 L N 1.002 122.072 121.223 -0.255 0.000 1.971 349 L HA -0.168 4.166 4.340 -0.011 0.000 0.215 349 L C 2.581 179.277 176.870 -0.291 0.000 1.072 349 L CA 1.569 56.290 54.840 -0.197 0.000 0.758 349 L CB -0.500 41.538 42.059 -0.034 0.000 0.889 349 L HN 0.147 nan 8.230 nan 0.000 0.433 350 V N -0.303 119.495 119.914 -0.193 0.000 2.287 350 V HA -0.371 3.743 4.120 -0.011 0.000 0.248 350 V C 2.436 178.312 176.094 -0.363 0.000 1.053 350 V CA 2.103 64.234 62.300 -0.282 0.000 1.027 350 V CB -0.756 31.046 31.823 -0.034 0.000 0.646 350 V HN 0.552 nan 8.190 nan 0.000 0.447 351 Q N -0.078 119.509 119.800 -0.355 0.000 2.112 351 Q HA -0.261 4.073 4.340 -0.011 0.000 0.206 351 Q C 2.334 178.215 176.000 -0.198 0.000 0.987 351 Q CA 1.944 57.507 55.803 -0.401 0.000 0.858 351 Q CB -0.435 28.153 28.738 -0.251 0.000 0.905 351 Q HN 0.787 nan 8.270 nan 0.000 0.420 352 N N 0.346 118.928 118.700 -0.197 0.000 2.142 352 N HA -0.150 4.584 4.740 -0.011 0.000 0.186 352 N C 1.711 177.063 175.510 -0.264 0.000 1.023 352 N CA 0.782 53.734 53.050 -0.163 0.000 0.852 352 N CB 0.174 38.588 38.487 -0.122 0.000 0.998 352 N HN 0.138 nan 8.380 nan 0.000 0.424 353 I N 1.885 122.175 120.570 -0.467 0.000 2.202 353 I HA -0.133 4.031 4.170 -0.011 0.000 0.242 353 I C 2.705 178.593 176.117 -0.381 0.000 1.091 353 I CA 0.875 61.833 61.300 -0.570 0.000 1.368 353 I CB -1.782 35.584 38.000 -1.056 0.000 1.058 353 I HN 0.130 nan 8.210 nan 0.000 0.410 354 A N 0.365 122.987 122.820 -0.329 0.000 1.940 354 A HA -0.222 4.091 4.320 -0.011 0.000 0.219 354 A C 2.436 179.965 177.584 -0.091 0.000 1.176 354 A CA 2.509 54.413 52.037 -0.222 0.000 0.631 354 A CB -1.089 17.869 19.000 -0.069 0.000 0.814 354 A HN 0.427 nan 8.150 nan 0.000 0.446 355 T N 0.306 114.841 114.554 -0.033 0.000 2.708 355 T HA -0.077 4.266 4.350 -0.011 0.000 0.266 355 T C 1.839 176.519 174.700 -0.033 0.000 1.037 355 T CA 1.473 63.582 62.100 0.016 0.000 1.146 355 T CB -0.380 68.514 68.868 0.043 0.000 0.865 355 T HN 0.374 nan 8.240 nan 0.000 0.435 356 L N 0.720 121.897 121.223 -0.076 0.000 2.017 356 L HA -0.125 4.209 4.340 -0.011 0.000 0.208 356 L C 3.055 179.882 176.870 -0.070 0.000 1.073 356 L CA 1.352 56.153 54.840 -0.066 0.000 0.745 356 L CB -0.716 41.291 42.059 -0.085 0.000 0.894 356 L HN 0.246 nan 8.230 nan 0.000 0.432 357 A N 0.208 122.956 122.820 -0.121 0.000 1.865 357 A HA -0.245 4.069 4.320 -0.011 0.000 0.217 357 A C 2.085 179.622 177.584 -0.079 0.000 1.191 357 A CA 2.079 54.045 52.037 -0.119 0.000 0.623 357 A CB -0.734 18.150 19.000 -0.192 0.000 0.826 357 A HN 0.467 nan 8.150 nan 0.000 0.444 358 N N 0.192 118.844 118.700 -0.080 0.000 2.149 358 N HA -0.194 4.540 4.740 -0.011 0.000 0.188 358 N C 1.722 177.222 175.510 -0.017 0.000 1.019 358 N CA 1.770 54.792 53.050 -0.046 0.000 0.857 358 N CB -0.358 38.110 38.487 -0.031 0.000 0.997 358 N HN 0.890 nan 8.380 nan 0.000 0.426 359 E N 0.729 120.923 120.200 -0.011 0.000 2.285 359 E HA -0.037 4.307 4.350 -0.011 0.000 0.194 359 E C 1.189 177.794 176.600 0.008 0.000 0.997 359 E CA 0.817 57.219 56.400 0.004 0.000 0.845 359 E CB -0.005 29.702 29.700 0.011 0.000 0.782 359 E HN 0.175 nan 8.360 nan 0.000 0.491 360 K N 0.053 120.455 120.400 0.003 0.000 2.393 360 K HA 0.141 4.454 4.320 -0.011 0.000 0.193 360 K C 0.756 177.366 176.600 0.017 0.000 1.026 360 K CA 0.417 56.714 56.287 0.016 0.000 1.064 360 K CB 0.598 33.111 32.500 0.021 0.000 0.833 360 K HN 0.304 nan 8.250 nan 0.000 0.521 361 G N 2.139 110.943 108.800 0.007 0.000 2.160 361 G HA2 -0.249 3.704 3.960 -0.011 0.000 0.244 361 G HA3 -0.249 3.704 3.960 -0.011 0.000 0.244 361 G C -0.047 174.861 174.900 0.013 0.000 1.022 361 G CA -0.196 44.909 45.100 0.009 0.000 0.741 361 G HN 0.223 nan 8.290 nan 0.000 0.508 362 I N 0.569 121.140 120.570 0.002 0.000 2.353 362 I HA 0.312 4.476 4.170 -0.011 0.000 0.293 362 I C 0.982 177.091 176.117 -0.013 0.000 0.992 362 I CA -1.101 60.205 61.300 0.009 0.000 1.268 362 I CB 1.672 39.673 38.000 0.001 0.000 1.387 362 I HN -0.129 nan 8.210 nan 0.000 0.478 363 V N 7.120 127.041 119.914 0.013 0.000 2.521 363 V HA 0.022 4.136 4.120 -0.011 0.000 0.286 363 V C 0.043 176.131 176.094 -0.010 0.000 1.034 363 V CA -0.036 62.269 62.300 0.009 0.000 1.045 363 V CB 1.004 32.849 31.823 0.037 0.000 0.974 363 V HN 0.372 nan 8.190 nan 0.000 0.480 364 L N 6.526 127.708 121.223 -0.068 0.000 2.322 364 L HA 0.610 4.944 4.340 -0.011 0.000 0.281 364 L C -0.300 176.562 176.870 -0.013 0.000 1.014 364 L CA 0.276 55.026 54.840 -0.150 0.000 0.815 364 L CB 1.591 43.378 42.059 -0.453 0.000 1.247 364 L HN 0.714 nan 8.230 nan 0.000 0.421 365 N N 2.140 120.944 118.700 0.174 0.000 2.380 365 N HA 0.904 5.638 4.740 -0.011 0.000 0.290 365 N C -0.908 174.975 175.510 0.622 0.000 1.236 365 N CA -0.527 52.781 53.050 0.430 0.000 0.780 365 N CB 2.097 40.802 38.487 0.363 0.000 1.438 365 N HN 0.761 nan 8.380 nan 0.000 0.491 366 G N -0.850 108.334 108.800 0.640 0.000 2.694 366 G HA2 0.677 4.630 3.960 -0.011 0.000 0.290 366 G HA3 0.677 4.630 3.960 -0.011 0.000 0.290 366 G C -1.819 173.256 174.900 0.292 0.000 1.386 366 G CA -0.654 44.754 45.100 0.513 0.000 0.872 366 G HN 0.655 nan 8.290 nan 0.000 0.475 367 E N -0.296 120.033 120.200 0.215 0.000 2.372 367 E HA 0.319 4.663 4.350 -0.011 0.000 0.279 367 E C -0.967 175.753 176.600 0.199 0.000 0.946 367 E CA -1.154 55.259 56.400 0.021 0.000 0.769 367 E CB 1.676 31.325 29.700 -0.086 0.000 1.230 367 E HN 0.542 nan 8.360 nan 0.000 0.442 368 N N 1.047 119.909 118.700 0.269 0.000 2.508 368 N HA 0.094 4.828 4.740 -0.011 0.000 0.264 368 N C 0.343 175.920 175.510 0.111 0.000 1.216 368 N CA 0.297 53.498 53.050 0.252 0.000 0.943 368 N CB 1.613 40.303 38.487 0.338 0.000 1.113 368 N HN 0.622 nan 8.380 nan 0.000 0.447 369 A N 2.393 125.259 122.820 0.078 0.000 1.898 369 A HA 0.167 4.480 4.320 -0.011 0.000 0.214 369 A C 0.998 178.607 177.584 0.042 0.000 1.183 369 A CA 0.630 52.696 52.037 0.049 0.000 0.622 369 A CB -0.085 18.945 19.000 0.051 0.000 0.824 369 A HN 0.669 nan 8.150 nan 0.000 0.444 370 L N -1.398 119.849 121.223 0.040 0.000 2.327 370 L HA 0.375 4.709 4.340 -0.011 0.000 0.258 370 L C -0.241 176.658 176.870 0.048 0.000 1.024 370 L CA -0.987 53.870 54.840 0.028 0.000 0.825 370 L CB 2.055 44.110 42.059 -0.006 0.000 1.386 370 L HN -0.043 nan 8.230 nan 0.000 0.417 371 S N 1.333 117.058 115.700 0.043 0.000 2.552 371 S HA 0.244 4.708 4.470 -0.011 0.000 0.289 371 S C -0.145 174.479 174.600 0.041 0.000 1.304 371 S CA -0.081 58.153 58.200 0.056 0.000 1.063 371 S CB -0.102 63.126 63.200 0.047 0.000 0.848 371 S HN 0.252 nan 8.310 nan 0.000 0.499 372 I N 2.842 123.448 120.570 0.059 0.000 2.304 372 I HA 0.278 4.442 4.170 -0.011 0.000 0.291 372 I C 1.310 177.379 176.117 -0.080 0.000 1.018 372 I CA -0.260 61.026 61.300 -0.024 0.000 1.260 372 I CB 1.117 39.108 38.000 -0.015 0.000 1.390 372 I HN 0.855 nan 8.210 nan 0.000 0.475 373 G N 5.312 114.057 108.800 -0.092 0.000 2.709 373 G HA2 -0.025 3.929 3.960 -0.011 0.000 0.208 373 G HA3 -0.025 3.929 3.960 -0.011 0.000 0.208 373 G C 0.575 175.402 174.900 -0.122 0.000 1.129 373 G CA -0.001 45.055 45.100 -0.074 0.000 0.793 373 G HN 0.510 nan 8.290 nan 0.000 0.524 374 N N 0.697 119.296 118.700 -0.169 0.000 2.417 374 N HA 0.085 4.819 4.740 -0.011 0.000 0.300 374 N C 1.190 176.518 175.510 -0.303 0.000 1.102 374 N CA -0.346 52.603 53.050 -0.167 0.000 0.886 374 N CB 1.794 40.218 38.487 -0.104 0.000 1.203 374 N HN 0.228 nan 8.380 nan 0.000 0.496 375 E N 1.697 121.766 120.200 -0.218 0.000 2.418 375 E HA -0.122 4.221 4.350 -0.011 0.000 0.197 375 E C 0.164 176.707 176.600 -0.095 0.000 1.026 375 E CA 0.901 57.185 56.400 -0.193 0.000 0.862 375 E CB 0.121 29.825 29.700 0.006 0.000 0.799 375 E HN 0.513 nan 8.360 nan 0.000 0.518 376 E N 1.464 121.611 120.200 -0.088 0.000 2.153 376 E HA -0.156 4.188 4.350 -0.011 0.000 0.194 376 E C 1.715 178.284 176.600 -0.052 0.000 0.988 376 E CA 1.067 57.438 56.400 -0.047 0.000 0.811 376 E CB -0.037 29.638 29.700 -0.041 0.000 0.746 376 E HN 0.418 nan 8.360 nan 0.000 0.466 377 E N -0.163 119.977 120.200 -0.100 0.000 2.106 377 E HA -0.143 4.201 4.350 -0.011 0.000 0.192 377 E C 1.844 178.452 176.600 0.012 0.000 0.984 377 E CA 0.651 57.011 56.400 -0.068 0.000 0.806 377 E CB -0.286 29.360 29.700 -0.090 0.000 0.750 377 E HN 0.271 nan 8.360 nan 0.000 0.458 378 Y N 1.220 121.490 120.300 -0.051 0.000 2.224 378 Y HA -0.142 4.403 4.550 -0.008 0.000 0.289 378 Y C 1.800 177.593 175.900 -0.178 0.000 1.146 378 Y CA 0.877 58.913 58.100 -0.107 0.000 1.182 378 Y CB -0.433 37.995 38.460 -0.053 0.000 0.983 378 Y HN 0.014 nan 8.280 nan 0.000 0.524 379 K N -0.167 120.260 120.400 0.045 0.000 2.097 379 K HA -0.138 4.175 4.320 -0.011 0.000 0.206 379 K C 2.139 178.693 176.600 -0.078 0.000 1.049 379 K CA 1.183 57.455 56.287 -0.024 0.000 0.933 379 K CB -0.165 32.335 32.500 0.000 0.000 0.717 379 K HN 0.294 nan 8.250 nan 0.000 0.442 380 R N 0.554 121.008 120.500 -0.076 0.000 2.090 380 R HA -0.048 4.286 4.340 -0.011 0.000 0.228 380 R C 2.329 178.510 176.300 -0.198 0.000 1.110 380 R CA 0.962 57.001 56.100 -0.102 0.000 0.973 380 R CB -0.429 29.826 30.300 -0.075 0.000 0.869 380 R HN 0.004 nan 8.270 nan 0.000 0.440 381 V N 1.355 121.111 119.914 -0.262 0.000 2.307 381 V HA -0.222 3.892 4.120 -0.011 0.000 0.245 381 V C 2.527 178.234 176.094 -0.645 0.000 1.045 381 V CA 1.965 63.970 62.300 -0.491 0.000 1.024 381 V CB -0.727 30.691 31.823 -0.674 0.000 0.651 381 V HN 0.369 nan 8.190 nan 0.000 0.449 382 A N -0.493 121.989 122.820 -0.564 0.000 1.978 382 A HA -0.288 4.026 4.320 -0.011 0.000 0.220 382 A C 2.284 179.569 177.584 -0.499 0.000 1.170 382 A CA 2.066 53.694 52.037 -0.682 0.000 0.636 382 A CB -0.496 18.327 19.000 -0.294 0.000 0.810 382 A HN 0.656 nan 8.150 nan 0.000 0.448 383 E N -1.028 118.996 120.200 -0.293 0.000 2.051 383 E HA -0.198 4.146 4.350 -0.011 0.000 0.192 383 E C 1.960 178.445 176.600 -0.191 0.000 0.991 383 E CA 1.434 57.719 56.400 -0.191 0.000 0.799 383 E CB -0.156 29.497 29.700 -0.078 0.000 0.748 383 E HN 0.457 nan 8.360 nan 0.000 0.449 384 M N 0.509 119.970 119.600 -0.232 0.000 2.123 384 M HA -0.041 4.433 4.480 -0.011 0.000 0.263 384 M C 2.453 178.622 176.300 -0.218 0.000 1.069 384 M CA 1.463 56.667 55.300 -0.160 0.000 1.133 384 M CB -1.352 31.031 32.600 -0.363 0.000 1.356 384 M HN 0.217 nan 8.290 nan 0.000 0.415 385 A N 0.001 122.445 122.820 -0.626 0.000 1.851 385 A HA -0.167 4.146 4.320 -0.011 0.000 0.216 385 A C 2.059 179.486 177.584 -0.262 0.000 1.195 385 A CA 1.684 53.341 52.037 -0.634 0.000 0.622 385 A CB -1.246 17.121 19.000 -1.054 0.000 0.831 385 A HN 0.484 nan 8.150 nan 0.000 0.444 386 F N -0.607 119.211 119.950 -0.220 0.000 2.710 386 F HA 0.015 4.538 4.527 -0.008 0.000 0.298 386 F C 2.049 177.728 175.800 -0.203 0.000 1.137 386 F CA 0.276 58.135 58.000 -0.235 0.000 1.444 386 F CB 0.044 38.850 39.000 -0.322 0.000 1.111 386 F HN 0.233 nan 8.300 nan 0.000 0.580 387 N N -1.255 117.389 118.700 -0.093 0.000 2.294 387 N HA 0.001 4.734 4.740 -0.011 0.000 0.186 387 N C 0.376 175.659 175.510 -0.378 0.000 1.107 387 N CA 0.549 53.386 53.050 -0.354 0.000 0.884 387 N CB 0.212 38.159 38.487 -0.900 0.000 1.030 387 N HN 0.288 nan 8.380 nan 0.000 0.482 388 Y N 0.621 120.950 120.300 0.048 0.000 2.607 388 Y HA 0.216 4.760 4.550 -0.010 0.000 0.266 388 Y C 0.414 176.374 175.900 0.100 0.000 1.178 388 Y CA -0.439 57.741 58.100 0.132 0.000 1.226 388 Y CB 0.046 38.657 38.460 0.252 0.000 1.144 388 Y HN -0.078 nan 8.280 nan 0.000 0.528 389 N N -0.325 118.491 118.700 0.193 0.000 2.815 389 N HA -0.232 4.502 4.740 -0.011 0.000 0.249 389 N C -1.034 174.559 175.510 0.138 0.000 1.114 389 N CA 0.142 53.266 53.050 0.123 0.000 0.717 389 N CB -1.876 36.628 38.487 0.029 0.000 1.074 389 N HN 0.148 nan 8.380 nan 0.000 0.555 390 F N 0.278 120.299 119.950 0.118 0.000 2.543 390 F HA 0.311 4.831 4.527 -0.013 0.000 0.375 390 F C 1.859 177.797 175.800 0.231 0.000 1.075 390 F CA 0.484 58.579 58.000 0.159 0.000 1.225 390 F CB 0.461 39.555 39.000 0.157 0.000 1.099 390 F HN 0.216 nan 8.300 nan 0.000 0.561 391 A N 3.029 126.028 122.820 0.298 0.000 2.066 391 A HA 0.409 4.723 4.320 -0.011 0.000 0.218 391 A C 1.152 178.863 177.584 0.212 0.000 1.157 391 A CA 1.183 53.361 52.037 0.235 0.000 0.670 391 A CB -0.597 18.485 19.000 0.137 0.000 0.804 391 A HN 0.869 nan 8.150 nan 0.000 0.453 392 G N -2.428 106.541 108.800 0.281 0.000 2.646 392 G HA2 0.470 4.424 3.960 -0.011 0.000 0.291 392 G HA3 0.470 4.424 3.960 -0.011 0.000 0.291 392 G C -1.649 173.414 174.900 0.271 0.000 1.445 392 G CA -0.472 44.653 45.100 0.041 0.000 0.814 392 G HN 0.433 nan 8.290 nan 0.000 0.495 393 F N 1.002 120.915 119.950 -0.062 0.000 2.547 393 F HA 0.735 5.255 4.527 -0.013 0.000 0.316 393 F C -0.438 175.437 175.800 0.126 0.000 1.121 393 F CA -0.623 57.436 58.000 0.098 0.000 0.911 393 F CB 2.504 41.577 39.000 0.122 0.000 1.179 393 F HN 0.426 nan 8.300 nan 0.000 0.443 394 T N 7.362 121.467 114.554 -0.748 0.000 2.770 394 T HA 0.430 4.773 4.350 -0.011 0.000 0.283 394 T C -1.023 173.185 174.700 -0.820 0.000 0.988 394 T CA -0.391 61.435 62.100 -0.457 0.000 0.957 394 T CB 1.094 69.919 68.868 -0.072 0.000 0.930 394 T HN 0.567 nan 8.240 nan 0.000 0.443 395 L N 4.840 125.820 121.223 -0.404 0.000 2.281 395 L HA 0.534 4.868 4.340 -0.011 0.000 0.285 395 L C -0.575 176.242 176.870 -0.088 0.000 1.074 395 L CA -0.488 54.258 54.840 -0.157 0.000 0.817 395 L CB 0.478 42.569 42.059 0.053 0.000 1.168 395 L HN 0.629 nan 8.230 nan 0.000 0.434 396 L N 6.732 127.943 121.223 -0.021 0.000 2.257 396 L HA 0.599 4.933 4.340 -0.011 0.000 0.290 396 L C -0.422 176.481 176.870 0.055 0.000 1.044 396 L CA -0.194 54.649 54.840 0.006 0.000 0.810 396 L CB 0.309 42.375 42.059 0.012 0.000 1.193 396 L HN 0.840 nan 8.230 nan 0.000 0.425 397 R N 2.762 123.289 120.500 0.046 0.000 2.781 397 R HA 0.132 4.466 4.340 -0.011 0.000 0.269 397 R C 0.253 176.577 176.300 0.041 0.000 1.025 397 R CA -0.584 55.537 56.100 0.035 0.000 0.914 397 R CB 0.929 31.267 30.300 0.063 0.000 1.236 397 R HN 0.578 nan 8.270 nan 0.000 0.465 398 Y N 1.720 121.950 120.300 -0.117 0.000 2.012 398 Y HA -0.476 4.067 4.550 -0.011 0.000 0.243 398 Y C 1.814 177.591 175.900 -0.204 0.000 1.237 398 Y CA 3.105 61.108 58.100 -0.161 0.000 1.057 398 Y CB -0.190 38.229 38.460 -0.068 0.000 0.866 398 Y HN 0.722 nan 8.280 nan 0.000 0.511 399 Q N 0.268 120.132 119.800 0.108 0.000 2.112 399 Q HA -0.227 4.106 4.340 -0.011 0.000 0.206 399 Q C 1.772 177.717 176.000 -0.092 0.000 0.987 399 Q CA 1.984 57.752 55.803 -0.058 0.000 0.858 399 Q CB -0.496 28.420 28.738 0.297 0.000 0.905 399 Q HN 0.602 nan 8.270 nan 0.000 0.420 400 D N -0.344 120.059 120.400 0.005 0.000 2.116 400 D HA -0.150 4.484 4.640 -0.011 0.000 0.193 400 D C 1.903 178.220 176.300 0.028 0.000 0.998 400 D CA 1.963 55.990 54.000 0.046 0.000 0.836 400 D CB -0.233 40.611 40.800 0.073 0.000 0.951 400 D HN 0.395 nan 8.370 nan 0.000 0.449 401 V N -2.304 117.583 119.914 -0.044 0.000 3.125 401 V HA 0.101 4.215 4.120 -0.011 0.000 0.249 401 V C 2.119 178.165 176.094 -0.080 0.000 1.113 401 V CA 0.284 62.583 62.300 -0.002 0.000 1.106 401 V CB -0.234 31.595 31.823 0.009 0.000 0.768 401 V HN -0.084 nan 8.190 nan 0.000 0.468 402 M N 1.151 120.539 119.600 -0.352 0.000 2.159 402 M HA 0.019 4.492 4.480 -0.011 0.000 0.263 402 M C 1.492 177.577 176.300 -0.359 0.000 1.063 402 M CA 1.764 56.742 55.300 -0.538 0.000 1.110 402 M CB -0.764 31.093 32.600 -1.239 0.000 1.374 402 M HN 0.551 nan 8.290 nan 0.000 0.411 403 Y N -1.519 118.798 120.300 0.029 0.000 2.708 403 Y HA 0.365 4.910 4.550 -0.010 0.000 0.287 403 Y C 0.276 176.214 175.900 0.064 0.000 1.145 403 Y CA -0.851 57.276 58.100 0.045 0.000 1.249 403 Y CB 0.087 38.572 38.460 0.042 0.000 1.152 403 Y HN 0.101 nan 8.280 nan 0.000 0.532 404 N N 0.919 119.720 118.700 0.169 0.000 2.653 404 N HA 0.095 4.828 4.740 -0.011 0.000 0.261 404 N C -0.405 175.211 175.510 0.177 0.000 1.216 404 N CA -0.088 53.055 53.050 0.155 0.000 0.784 404 N CB 0.144 38.711 38.487 0.134 0.000 1.327 404 N HN 0.312 nan 8.380 nan 0.000 0.539 405 N N 0.179 118.989 118.700 0.184 0.000 2.137 405 N HA -0.171 4.563 4.740 -0.011 0.000 0.190 405 N C 1.156 176.791 175.510 0.209 0.000 1.017 405 N CA 1.379 54.567 53.050 0.230 0.000 0.859 405 N CB 0.239 38.836 38.487 0.182 0.000 1.002 405 N HN 0.366 nan 8.380 nan 0.000 0.428 406 S N 1.362 117.158 115.700 0.160 0.000 2.351 406 S HA -0.097 4.367 4.470 -0.011 0.000 0.220 406 S C 2.052 176.761 174.600 0.181 0.000 1.035 406 S CA 0.885 59.172 58.200 0.145 0.000 1.031 406 S CB -0.446 62.819 63.200 0.107 0.000 0.928 406 S HN 0.237 nan 8.310 nan 0.000 0.433 407 L N 0.513 121.853 121.223 0.195 0.000 2.042 407 L HA -0.178 4.156 4.340 -0.011 0.000 0.210 407 L C 2.614 179.712 176.870 0.380 0.000 1.076 407 L CA 1.395 56.410 54.840 0.291 0.000 0.749 407 L CB -0.444 41.760 42.059 0.243 0.000 0.893 407 L HN 0.351 nan 8.230 nan 0.000 0.432 408 M N 0.256 120.020 119.600 0.274 0.000 2.080 408 M HA -0.134 4.340 4.480 -0.011 0.000 0.260 408 M C 2.017 178.431 176.300 0.190 0.000 1.068 408 M CA 2.222 57.656 55.300 0.224 0.000 1.109 408 M CB -1.059 31.668 32.600 0.211 0.000 1.342 408 M HN 0.126 nan 8.290 nan 0.000 0.405 409 G N 0.020 108.932 108.800 0.187 0.000 2.422 409 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.218 409 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.218 409 G C 1.580 176.549 174.900 0.115 0.000 1.146 409 G CA 0.801 45.981 45.100 0.133 0.000 0.769 409 G HN 0.386 nan 8.290 nan 0.000 0.547 410 K N 0.100 120.611 120.400 0.185 0.000 2.097 410 K HA 0.025 4.339 4.320 -0.011 0.000 0.205 410 K C 2.037 178.686 176.600 0.082 0.000 1.050 410 K CA 0.465 56.865 56.287 0.189 0.000 0.938 410 K CB -0.745 31.954 32.500 0.331 0.000 0.718 410 K HN 0.412 nan 8.250 nan 0.000 0.442 411 F N 2.631 122.533 119.950 -0.081 0.000 2.102 411 F HA -0.212 4.309 4.527 -0.011 0.000 0.298 411 F C 2.474 178.089 175.800 -0.308 0.000 1.105 411 F CA 1.724 59.464 58.000 -0.432 0.000 1.239 411 F CB -0.061 38.689 39.000 -0.417 0.000 0.991 411 F HN -0.049 nan 8.300 nan 0.000 0.474 412 K N 0.212 120.576 120.400 -0.060 0.000 2.020 412 K HA -0.306 4.007 4.320 -0.011 0.000 0.212 412 K C 1.957 178.436 176.600 -0.202 0.000 1.050 412 K CA 2.301 58.502 56.287 -0.143 0.000 0.929 412 K CB -0.635 31.810 32.500 -0.091 0.000 0.714 412 K HN 0.429 nan 8.250 nan 0.000 0.443 413 D N -0.088 120.229 120.400 -0.138 0.000 2.097 413 D HA -0.158 4.476 4.640 -0.011 0.000 0.195 413 D C 2.027 178.223 176.300 -0.174 0.000 0.989 413 D CA 1.421 55.349 54.000 -0.121 0.000 0.827 413 D CB 0.044 40.813 40.800 -0.052 0.000 0.966 413 D HN 0.261 nan 8.370 nan 0.000 0.456 414 L N -0.702 120.389 121.223 -0.221 0.000 2.049 414 L HA 0.031 4.364 4.340 -0.011 0.000 0.203 414 L C 2.275 178.959 176.870 -0.311 0.000 1.074 414 L CA 0.687 55.388 54.840 -0.232 0.000 0.749 414 L CB -0.171 41.775 42.059 -0.188 0.000 0.907 414 L HN 0.153 nan 8.230 nan 0.000 0.439 415 L N -1.453 119.366 121.223 -0.673 0.000 2.609 415 L HA 0.236 4.570 4.340 -0.011 0.000 0.230 415 L C 1.537 178.091 176.870 -0.526 0.000 1.064 415 L CA 0.061 54.482 54.840 -0.698 0.000 0.873 415 L CB -0.131 41.219 42.059 -1.181 0.000 1.139 415 L HN 0.154 nan 8.230 nan 0.000 0.490 416 G N 2.003 110.372 108.800 -0.718 0.000 3.316 416 G HA2 0.362 4.316 3.960 -0.011 0.000 0.255 416 G HA3 0.362 4.316 3.960 -0.011 0.000 0.255 416 G C 0.001 174.807 174.900 -0.157 0.000 0.880 416 G CA 0.019 44.931 45.100 -0.313 0.000 1.956 416 G HN 0.035 nan 8.290 nan 0.000 0.634 417 V N -1.810 118.074 119.914 -0.050 0.000 2.667 417 V HA 0.776 4.889 4.120 -0.011 0.000 0.308 417 V C -0.043 176.046 176.094 -0.008 0.000 1.048 417 V CA -0.889 61.361 62.300 -0.083 0.000 0.928 417 V CB 1.862 33.557 31.823 -0.213 0.000 1.004 417 V HN 0.057 nan 8.190 nan 0.000 0.444 418 T N 5.680 120.193 114.554 -0.069 0.000 2.753 418 T HA 0.457 4.801 4.350 -0.011 0.000 0.297 418 T C -2.549 172.092 174.700 -0.099 0.000 0.981 418 T CA -0.859 61.208 62.100 -0.055 0.000 0.956 418 T CB 1.098 69.930 68.868 -0.060 0.000 0.936 418 T HN 0.785 nan 8.240 nan 0.000 0.463 419 P HA 0.308 nan 4.420 nan 0.000 0.276 419 P C -0.697 176.536 177.300 -0.112 0.000 1.230 419 P CA -0.373 62.653 63.100 -0.124 0.000 0.776 419 P CB 0.951 32.605 31.700 -0.076 0.000 0.888 420 V N 0.671 120.500 119.914 -0.142 0.000 2.841 420 V HA 0.604 4.717 4.120 -0.011 0.000 0.310 420 V C -0.345 175.678 176.094 -0.118 0.000 1.090 420 V CA -1.404 60.822 62.300 -0.124 0.000 0.930 420 V CB 1.928 33.659 31.823 -0.154 0.000 1.014 420 V HN 0.388 nan 8.190 nan 0.000 0.425 421 M N 3.973 123.526 119.600 -0.078 0.000 2.211 421 M HA 0.568 5.041 4.480 -0.011 0.000 0.356 421 M C -0.412 175.867 176.300 -0.035 0.000 1.216 421 M CA 0.738 56.008 55.300 -0.050 0.000 1.134 421 M CB 0.596 33.180 32.600 -0.027 0.000 1.564 421 M HN 0.879 nan 8.290 nan 0.000 0.463 422 Q N 2.540 122.341 119.800 0.001 0.000 2.421 422 Q HA 0.485 4.819 4.340 -0.011 0.000 0.280 422 Q C -1.226 174.865 176.000 0.151 0.000 1.085 422 Q CA -0.591 55.272 55.803 0.099 0.000 0.807 422 Q CB 2.309 31.104 28.738 0.095 0.000 1.405 422 Q HN 0.665 nan 8.270 nan 0.000 0.419 423 T N 1.997 116.677 114.554 0.210 0.000 2.758 423 T HA 0.503 4.847 4.350 -0.011 0.000 0.285 423 T C -0.083 174.717 174.700 0.166 0.000 0.981 423 T CA -0.422 61.768 62.100 0.150 0.000 0.965 423 T CB 0.370 69.301 68.868 0.104 0.000 0.927 423 T HN 0.233 nan 8.240 nan 0.000 0.448 424 I N 4.843 125.490 120.570 0.128 0.000 2.321 424 I HA 0.394 4.557 4.170 -0.011 0.000 0.291 424 I C -0.090 176.110 176.117 0.139 0.000 0.998 424 I CA -0.696 60.675 61.300 0.119 0.000 1.227 424 I CB 1.058 39.100 38.000 0.070 0.000 1.368 424 I HN 0.289 nan 8.210 nan 0.000 0.466 425 V N 7.102 127.106 119.914 0.150 0.000 2.495 425 V HA 0.571 4.685 4.120 -0.011 0.000 0.298 425 V C -0.197 176.008 176.094 0.185 0.000 1.031 425 V CA -0.839 61.550 62.300 0.148 0.000 0.871 425 V CB 2.741 34.621 31.823 0.095 0.000 0.988 425 V HN 0.488 nan 8.190 nan 0.000 0.432 426 V N 5.773 125.821 119.914 0.224 0.000 2.623 426 V HA 0.674 4.788 4.120 -0.011 0.000 0.304 426 V C -0.765 175.497 176.094 0.281 0.000 1.054 426 V CA -0.488 61.963 62.300 0.251 0.000 0.882 426 V CB 1.857 33.850 31.823 0.283 0.000 1.002 426 V HN 0.991 nan 8.190 nan 0.000 0.424 427 K N 4.209 124.751 120.400 0.237 0.000 2.340 427 K HA 0.636 4.950 4.320 -0.011 0.000 0.244 427 K C -0.606 176.129 176.600 0.223 0.000 0.973 427 K CA -0.836 55.586 56.287 0.224 0.000 0.828 427 K CB 1.461 34.051 32.500 0.150 0.000 1.226 427 K HN 0.623 nan 8.250 nan 0.000 0.437 428 N N -0.876 117.932 118.700 0.180 0.000 2.862 428 N HA -0.111 4.623 4.740 -0.011 0.000 0.246 428 N C -1.075 174.447 175.510 0.019 0.000 1.101 428 N CA 0.495 53.619 53.050 0.122 0.000 0.679 428 N CB -1.827 36.753 38.487 0.155 0.000 0.986 428 N HN 0.444 nan 8.380 nan 0.000 0.557 429 V N 0.303 120.176 119.914 -0.070 0.000 2.364 429 V HA 0.347 4.460 4.120 -0.011 0.000 0.272 429 V C -1.652 174.139 176.094 -0.504 0.000 1.036 429 V CA -1.230 60.760 62.300 -0.516 0.000 0.880 429 V CB 1.463 33.026 31.823 -0.433 0.000 0.991 429 V HN -0.036 nan 8.190 nan 0.000 0.460 430 P HA 0.152 nan 4.420 nan 0.000 0.230 430 P C 0.251 177.324 177.300 -0.379 0.000 1.791 430 P CA 0.286 63.135 63.100 -0.418 0.000 1.020 430 P CB -0.038 31.448 31.700 -0.357 0.000 1.977 431 T N 0.608 114.976 114.554 -0.310 0.000 2.847 431 T HA 0.596 4.940 4.350 -0.011 0.000 0.279 431 T C 0.389 175.003 174.700 -0.144 0.000 0.984 431 T CA 0.042 61.995 62.100 -0.244 0.000 0.988 431 T CB 0.543 69.309 68.868 -0.171 0.000 1.040 431 T HN 0.299 nan 8.240 nan 0.000 0.528 432 T N -0.048 114.440 114.554 -0.110 0.000 2.618 432 T HA 0.522 4.865 4.350 -0.011 0.000 0.293 432 T C -0.552 174.119 174.700 -0.049 0.000 1.093 432 T CA -0.965 61.091 62.100 -0.074 0.000 1.061 432 T CB 0.314 69.143 68.868 -0.066 0.000 1.498 432 T HN 0.458 nan 8.240 nan 0.000 0.494 433 I N 2.013 122.561 120.570 -0.037 0.000 2.662 433 I HA 0.365 4.528 4.170 -0.011 0.000 0.285 433 I C 1.859 177.967 176.117 -0.014 0.000 1.161 433 I CA 1.524 62.811 61.300 -0.022 0.000 1.415 433 I CB -0.505 37.484 38.000 -0.018 0.000 1.385 433 I HN 1.277 nan 8.210 nan 0.000 0.552 434 G N 5.295 114.094 108.800 -0.002 0.000 2.195 434 G HA2 -0.214 3.739 3.960 -0.011 0.000 0.246 434 G HA3 -0.214 3.739 3.960 -0.011 0.000 0.246 434 G C 0.078 174.978 174.900 0.000 0.000 0.984 434 G CA -0.267 44.837 45.100 0.006 0.000 0.633 434 G HN 0.531 nan 8.290 nan 0.000 0.525 435 D N 1.757 122.143 120.400 -0.023 0.000 2.350 435 D HA 0.539 5.172 4.640 -0.011 0.000 0.249 435 D C 0.833 177.080 176.300 -0.088 0.000 1.119 435 D CA 1.128 55.086 54.000 -0.070 0.000 0.886 435 D CB 1.228 41.947 40.800 -0.134 0.000 1.195 435 D HN 0.441 nan 8.370 nan 0.000 0.437 436 T N -1.622 112.851 114.554 -0.135 0.000 2.887 436 T HA 0.658 5.002 4.350 -0.011 0.000 0.288 436 T C -0.228 174.176 174.700 -0.493 0.000 1.021 436 T CA -0.924 61.032 62.100 -0.240 0.000 1.000 436 T CB 1.405 70.228 68.868 -0.074 0.000 1.034 436 T HN 0.021 nan 8.240 nan 0.000 0.467 437 V N 2.207 121.595 119.914 -0.876 0.000 2.581 437 V HA 0.664 4.778 4.120 -0.011 0.000 0.303 437 V C -1.263 174.309 176.094 -0.870 0.000 1.041 437 V CA -0.673 61.094 62.300 -0.887 0.000 0.907 437 V CB 1.124 32.183 31.823 -1.272 0.000 0.994 437 V HN 0.923 nan 8.190 nan 0.000 0.442 438 Y N 3.543 123.361 120.300 -0.803 0.000 2.677 438 Y HA 0.775 5.319 4.550 -0.010 0.000 0.334 438 Y C -0.028 175.466 175.900 -0.677 0.000 1.154 438 Y CA -1.109 56.540 58.100 -0.752 0.000 1.070 438 Y CB 1.904 39.789 38.460 -0.959 0.000 1.294 438 Y HN 0.598 nan 8.280 nan 0.000 0.475 439 I N -1.175 119.333 120.570 -0.103 0.000 2.865 439 I HA 0.919 5.083 4.170 -0.011 0.000 0.302 439 I C -0.942 175.330 176.117 0.259 0.000 1.140 439 I CA -0.745 60.619 61.300 0.107 0.000 1.021 439 I CB 2.555 40.627 38.000 0.119 0.000 1.233 439 I HN 0.557 nan 8.210 nan 0.000 0.427 440 T N 2.000 116.771 114.554 0.361 0.000 2.885 440 T HA 0.803 5.147 4.350 -0.011 0.000 0.322 440 T C -0.730 173.926 174.700 -0.074 0.000 1.387 440 T CA -0.051 62.189 62.100 0.233 0.000 1.041 440 T CB 1.834 70.970 68.868 0.448 0.000 1.287 440 T HN 1.278 nan 8.240 nan 0.000 0.491 441 G N 1.712 110.179 108.800 -0.555 0.000 2.827 441 G HA2 0.428 4.382 3.960 -0.011 0.000 0.296 441 G HA3 0.428 4.382 3.960 -0.011 0.000 0.296 441 G C 0.540 174.481 174.900 -1.599 0.000 1.362 441 G CA -0.110 44.269 45.100 -1.202 0.000 0.809 441 G HN 0.705 nan 8.290 nan 0.000 0.522 442 N N -0.394 117.639 118.700 -1.112 0.000 2.244 442 N HA -0.066 4.667 4.740 -0.011 0.000 0.183 442 N C 0.834 176.185 175.510 -0.265 0.000 1.016 442 N CA 0.697 53.446 53.050 -0.501 0.000 0.866 442 N CB -0.143 38.391 38.487 0.079 0.000 0.980 442 N HN 0.425 nan 8.380 nan 0.000 0.430 443 R N -0.381 119.975 120.500 -0.239 0.000 2.560 443 R HA 0.440 4.774 4.340 -0.011 0.000 0.270 443 R C 1.146 177.355 176.300 -0.151 0.000 1.074 443 R CA 0.155 56.159 56.100 -0.160 0.000 1.140 443 R CB 0.544 30.742 30.300 -0.169 0.000 1.073 443 R HN 0.203 nan 8.270 nan 0.000 0.527 444 A N 1.866 124.638 122.820 -0.080 0.000 2.019 444 A HA -0.163 4.151 4.320 -0.011 0.000 0.219 444 A C 1.561 179.115 177.584 -0.050 0.000 1.164 444 A CA 1.428 53.448 52.037 -0.029 0.000 0.644 444 A CB -0.226 18.806 19.000 0.053 0.000 0.805 444 A HN 0.780 nan 8.150 nan 0.000 0.449 445 E N -0.540 119.565 120.200 -0.158 0.000 2.347 445 E HA 0.025 4.368 4.350 -0.011 0.000 0.196 445 E C 1.013 177.491 176.600 -0.203 0.000 1.008 445 E CA 0.579 56.811 56.400 -0.280 0.000 0.852 445 E CB -0.094 29.305 29.700 -0.502 0.000 0.783 445 E HN 0.596 nan 8.360 nan 0.000 0.505 446 L N -1.027 120.084 121.223 -0.187 0.000 2.965 446 L HA 0.325 4.659 4.340 -0.011 0.000 0.254 446 L C 1.028 177.834 176.870 -0.107 0.000 1.220 446 L CA 0.088 54.827 54.840 -0.168 0.000 1.023 446 L CB 0.492 42.408 42.059 -0.238 0.000 1.355 446 L HN 0.302 nan 8.230 nan 0.000 0.545 447 G N -0.943 107.823 108.800 -0.056 0.000 2.205 447 G HA2 -0.347 3.607 3.960 -0.011 0.000 0.261 447 G HA3 -0.347 3.607 3.960 -0.011 0.000 0.261 447 G C 0.640 175.598 174.900 0.096 0.000 0.980 447 G CA 0.174 45.319 45.100 0.074 0.000 0.632 447 G HN 0.287 nan 8.290 nan 0.000 0.533 448 S N -1.935 113.727 115.700 -0.063 0.000 3.682 448 S HA -0.284 4.179 4.470 -0.011 0.000 0.354 448 S C 1.037 175.705 174.600 0.114 0.000 1.034 448 S CA 1.690 59.861 58.200 -0.047 0.000 1.084 448 S CB -2.121 61.128 63.200 0.082 0.000 0.903 448 S HN 1.878 nan 8.310 nan 0.000 0.470 449 W N -1.859 119.523 121.300 0.136 0.000 2.303 449 W HA -0.249 4.407 4.660 -0.007 0.000 0.267 449 W C 0.285 176.871 176.519 0.111 0.000 1.054 449 W CA 0.514 57.938 57.345 0.132 0.000 0.501 449 W CB -1.632 27.859 29.460 0.053 0.000 2.076 449 W HN 0.626 nan 8.180 nan 0.000 1.317 450 D N 0.523 121.086 120.400 0.272 0.000 2.350 450 D HA 0.338 4.972 4.640 -0.011 0.000 0.249 450 D C 1.293 177.651 176.300 0.097 0.000 1.119 450 D CA 1.230 55.317 54.000 0.146 0.000 0.886 450 D CB 1.174 42.029 40.800 0.093 0.000 1.195 450 D HN 0.068 nan 8.370 nan 0.000 0.437 451 T N 0.137 114.674 114.554 -0.028 0.000 3.003 451 T HA 0.134 4.478 4.350 -0.011 0.000 0.261 451 T C 1.457 176.069 174.700 -0.146 0.000 1.003 451 T CA -0.224 61.777 62.100 -0.165 0.000 0.917 451 T CB 0.116 68.678 68.868 -0.509 0.000 1.084 451 T HN 0.250 nan 8.240 nan 0.000 0.522 452 K N 1.958 122.278 120.400 -0.133 0.000 1.995 452 K HA 0.067 4.381 4.320 -0.011 0.000 0.207 452 K C 2.406 178.910 176.600 -0.159 0.000 1.041 452 K CA 1.477 57.677 56.287 -0.144 0.000 0.942 452 K CB 0.108 32.524 32.500 -0.140 0.000 0.731 452 K HN 0.503 nan 8.250 nan 0.000 0.439 453 Q N -1.986 117.671 119.800 -0.238 0.000 2.157 453 Q HA 0.035 4.368 4.340 -0.011 0.000 0.235 453 Q C 0.409 176.379 176.000 -0.049 0.000 0.803 453 Q CA 0.047 55.723 55.803 -0.212 0.000 0.967 453 Q CB 0.570 29.125 28.738 -0.305 0.000 1.150 453 Q HN 0.263 nan 8.270 nan 0.000 0.482 454 Y N 1.809 122.103 120.300 -0.011 0.000 2.444 454 Y HA 0.384 4.929 4.550 -0.009 0.000 0.249 454 Y C -1.810 174.111 175.900 0.036 0.000 1.134 454 Y CA -2.414 55.680 58.100 -0.009 0.000 1.261 454 Y CB -0.658 37.797 38.460 -0.008 0.000 1.143 454 Y HN 0.089 nan 8.280 nan 0.000 0.523 455 P HA 0.002 nan 4.420 nan 0.000 0.269 455 P C -0.102 177.349 177.300 0.251 0.000 1.217 455 P CA 0.519 63.769 63.100 0.250 0.000 0.783 455 P CB 1.470 33.361 31.700 0.317 0.000 0.898 456 I N 1.494 122.188 120.570 0.207 0.000 2.304 456 I HA 0.204 4.368 4.170 -0.011 0.000 0.291 456 I C 1.164 177.328 176.117 0.079 0.000 1.018 456 I CA -0.495 60.883 61.300 0.130 0.000 1.260 456 I CB 0.810 38.836 38.000 0.044 0.000 1.390 456 I HN 0.356 nan 8.210 nan 0.000 0.475 457 Q N 6.132 125.916 119.800 -0.027 0.000 2.327 457 Q HA 0.459 4.792 4.340 -0.011 0.000 0.254 457 Q C -1.126 174.607 176.000 -0.445 0.000 0.952 457 Q CA -0.236 55.259 55.803 -0.514 0.000 0.884 457 Q CB 1.076 29.418 28.738 -0.660 0.000 1.224 457 Q HN 0.588 nan 8.270 nan 0.000 0.422 458 L N 2.778 123.679 121.223 -0.536 0.000 2.331 458 L HA 0.546 4.879 4.340 -0.011 0.000 0.268 458 L C -1.164 175.506 176.870 -0.333 0.000 1.015 458 L CA -1.086 53.635 54.840 -0.198 0.000 0.807 458 L CB 1.178 43.274 42.059 0.062 0.000 1.293 458 L HN 0.686 nan 8.230 nan 0.000 0.451 459 Y N -0.921 119.508 120.300 0.215 0.000 2.457 459 Y HA 0.265 4.809 4.550 -0.010 0.000 0.343 459 Y C -0.738 175.040 175.900 -0.204 0.000 0.994 459 Y CA -0.662 57.468 58.100 0.050 0.000 1.031 459 Y CB 1.615 40.060 38.460 -0.025 0.000 1.246 459 Y HN 0.284 nan 8.280 nan 0.000 0.449 460 Y N 2.802 122.601 120.300 -0.835 0.000 2.393 460 Y HA 0.267 4.812 4.550 -0.009 0.000 0.338 460 Y C -0.314 175.288 175.900 -0.497 0.000 1.029 460 Y CA -0.664 56.769 58.100 -1.111 0.000 1.239 460 Y CB 0.596 37.870 38.460 -1.977 0.000 1.170 460 Y HN 0.668 nan 8.280 nan 0.000 0.515 461 D N 3.828 123.764 120.400 -0.774 0.000 2.380 461 D HA 0.167 4.801 4.640 -0.011 0.000 0.230 461 D C 0.543 176.282 176.300 -0.934 0.000 1.154 461 D CA 0.022 53.674 54.000 -0.581 0.000 0.859 461 D CB 1.157 41.797 40.800 -0.267 0.000 1.045 461 D HN 0.673 nan 8.370 nan 0.000 0.495 462 S N 2.895 118.102 115.700 -0.821 0.000 2.383 462 S HA -0.221 4.243 4.470 -0.011 0.000 0.229 462 S C 1.553 175.833 174.600 -0.533 0.000 1.030 462 S CA 0.929 58.705 58.200 -0.708 0.000 1.002 462 S CB -0.391 62.518 63.200 -0.484 0.000 0.829 462 S HN 0.669 nan 8.310 nan 0.000 0.467 463 H N 1.221 120.143 119.070 -0.247 0.000 2.495 463 H HA 0.091 4.642 4.556 -0.009 0.000 0.287 463 H C 2.142 177.380 175.328 -0.150 0.000 1.033 463 H CA 1.431 57.386 56.048 -0.155 0.000 1.307 463 H CB -0.128 29.562 29.762 -0.120 0.000 1.401 463 H HN 0.592 nan 8.280 nan 0.000 0.555 464 S N -0.092 115.543 115.700 -0.108 0.000 2.512 464 S HA -0.031 4.433 4.470 -0.011 0.000 0.216 464 S C 0.780 175.298 174.600 -0.137 0.000 1.006 464 S CA 0.060 58.201 58.200 -0.098 0.000 0.915 464 S CB 0.156 63.303 63.200 -0.088 0.000 0.824 464 S HN 0.305 nan 8.310 nan 0.000 0.497 465 N N 2.518 121.043 118.700 -0.292 0.000 2.727 465 N HA -0.145 4.588 4.740 -0.011 0.000 0.251 465 N C -1.207 174.293 175.510 -0.016 0.000 1.040 465 N CA 1.330 54.272 53.050 -0.180 0.000 0.712 465 N CB -1.651 36.851 38.487 0.025 0.000 0.912 465 N HN 0.894 nan 8.380 nan 0.000 0.545 466 D N -2.046 118.220 120.400 -0.223 0.000 2.643 466 D HA 0.575 5.209 4.640 -0.011 0.000 0.283 466 D C -1.061 175.225 176.300 -0.022 0.000 1.242 466 D CA -0.622 53.417 54.000 0.066 0.000 0.863 466 D CB -0.125 40.721 40.800 0.077 0.000 1.382 466 D HN 0.110 nan 8.370 nan 0.000 0.444 467 W N 0.333 121.716 121.300 0.139 0.000 2.429 467 W HA 0.618 5.271 4.660 -0.012 0.000 0.314 467 W C 0.495 177.056 176.519 0.071 0.000 1.062 467 W CA -0.519 56.895 57.345 0.115 0.000 1.211 467 W CB 1.487 30.995 29.460 0.081 0.000 1.305 467 W HN 0.507 nan 8.180 nan 0.000 0.476 468 R N 2.114 122.747 120.500 0.221 0.000 2.869 468 R HA 1.011 5.344 4.340 -0.011 0.000 0.263 468 R C -0.564 175.842 176.300 0.177 0.000 1.066 468 R CA -1.397 54.801 56.100 0.164 0.000 0.960 468 R CB 1.793 32.144 30.300 0.085 0.000 1.221 468 R HN 0.589 nan 8.270 nan 0.000 0.474 469 G N 0.332 109.217 108.800 0.141 0.000 2.691 469 G HA2 0.225 4.179 3.960 -0.011 0.000 0.298 469 G HA3 0.225 4.179 3.960 -0.011 0.000 0.298 469 G C -1.798 173.161 174.900 0.098 0.000 1.471 469 G CA -0.898 44.290 45.100 0.146 0.000 0.912 469 G HN 0.434 nan 8.290 nan 0.000 0.553 470 N N 0.734 119.483 118.700 0.081 0.000 2.437 470 N HA 0.411 5.145 4.740 -0.011 0.000 0.243 470 N C -0.366 175.166 175.510 0.037 0.000 1.041 470 N CA -0.051 53.030 53.050 0.051 0.000 0.940 470 N CB 1.962 40.466 38.487 0.027 0.000 1.133 470 N HN 0.273 nan 8.380 nan 0.000 0.506 471 V N 2.295 122.223 119.914 0.024 0.000 2.495 471 V HA 0.311 4.425 4.120 -0.011 0.000 0.298 471 V C 0.444 176.508 176.094 -0.051 0.000 1.031 471 V CA -0.986 61.305 62.300 -0.015 0.000 0.871 471 V CB 2.036 33.836 31.823 -0.038 0.000 0.988 471 V HN 0.215 nan 8.190 nan 0.000 0.432 472 V N 6.347 126.216 119.914 -0.074 0.000 2.427 472 V HA 0.297 4.411 4.120 -0.011 0.000 0.268 472 V C -0.062 175.927 176.094 -0.175 0.000 1.046 472 V CA -0.007 62.227 62.300 -0.109 0.000 0.970 472 V CB 0.725 32.492 31.823 -0.094 0.000 1.001 472 V HN 0.514 nan 8.190 nan 0.000 0.476 473 L N 8.139 129.238 121.223 -0.207 0.000 2.319 473 L HA 0.672 5.005 4.340 -0.011 0.000 0.267 473 L C -2.324 174.363 176.870 -0.304 0.000 1.011 473 L CA -2.276 52.400 54.840 -0.273 0.000 0.818 473 L CB 2.370 44.261 42.059 -0.280 0.000 1.316 473 L HN 0.361 nan 8.230 nan 0.000 0.432 474 P HA 0.208 nan 4.420 nan 0.000 0.282 474 P C -0.960 176.175 177.300 -0.276 0.000 1.274 474 P CA -0.375 62.527 63.100 -0.331 0.000 0.770 474 P CB 0.897 32.366 31.700 -0.385 0.000 0.867 475 A N 3.896 126.576 122.820 -0.234 0.000 2.483 475 A HA 0.069 4.383 4.320 -0.011 0.000 0.238 475 A C 0.812 178.285 177.584 -0.185 0.000 1.070 475 A CA -0.054 51.853 52.037 -0.217 0.000 0.770 475 A CB -0.727 18.173 19.000 -0.167 0.000 1.008 475 A HN 0.689 nan 8.150 nan 0.000 0.497 476 E N -0.717 119.374 120.200 -0.182 0.000 2.476 476 E HA -0.184 4.160 4.350 -0.011 0.000 0.251 476 E C -0.501 176.027 176.600 -0.119 0.000 1.130 476 E CA 0.624 56.945 56.400 -0.132 0.000 0.736 476 E CB -0.923 28.720 29.700 -0.095 0.000 1.298 476 E HN 0.539 nan 8.360 nan 0.000 0.400 477 R N 0.427 120.839 120.500 -0.146 0.000 2.670 477 R HA 0.371 4.704 4.340 -0.011 0.000 0.289 477 R C -0.361 175.893 176.300 -0.078 0.000 0.965 477 R CA -1.112 54.918 56.100 -0.117 0.000 0.899 477 R CB 1.029 31.235 30.300 -0.157 0.000 1.173 477 R HN -0.021 nan 8.270 nan 0.000 0.456 478 N N 2.225 120.910 118.700 -0.026 0.000 2.430 478 N HA 0.314 5.048 4.740 -0.011 0.000 0.265 478 N C -0.117 175.423 175.510 0.050 0.000 1.100 478 N CA -0.096 52.976 53.050 0.037 0.000 0.961 478 N CB 0.613 39.130 38.487 0.050 0.000 1.075 478 N HN 0.457 nan 8.380 nan 0.000 0.478 479 I N -1.890 118.753 120.570 0.121 0.000 2.785 479 I HA 0.644 4.807 4.170 -0.011 0.000 0.302 479 I C -0.655 175.629 176.117 0.279 0.000 1.069 479 I CA -0.860 60.523 61.300 0.138 0.000 1.045 479 I CB 2.382 40.423 38.000 0.070 0.000 1.236 479 I HN 0.151 nan 8.210 nan 0.000 0.429 480 E N 4.689 125.044 120.200 0.259 0.000 2.238 480 E HA 0.660 5.003 4.350 -0.011 0.000 0.267 480 E C -1.444 175.370 176.600 0.356 0.000 0.887 480 E CA -0.483 56.103 56.400 0.310 0.000 0.769 480 E CB 2.972 32.874 29.700 0.336 0.000 1.187 480 E HN 0.704 nan 8.360 nan 0.000 0.416 481 F N -1.165 118.853 119.950 0.113 0.000 2.807 481 F HA 0.660 5.183 4.527 -0.006 0.000 0.316 481 F C -1.486 174.467 175.800 0.255 0.000 1.162 481 F CA -1.114 56.935 58.000 0.082 0.000 0.910 481 F CB 1.605 40.573 39.000 -0.052 0.000 1.314 481 F HN 0.155 nan 8.300 nan 0.000 0.454 482 K N 0.992 121.666 120.400 0.458 0.000 2.551 482 K HA 0.760 5.074 4.320 -0.011 0.000 0.269 482 K C -1.415 175.438 176.600 0.420 0.000 0.949 482 K CA -1.024 55.480 56.287 0.362 0.000 0.849 482 K CB 2.673 35.490 32.500 0.529 0.000 1.411 482 K HN 0.965 nan 8.250 nan 0.000 0.432 483 A N 1.662 124.606 122.820 0.206 0.000 2.279 483 A HA 0.871 5.185 4.320 -0.011 0.000 0.303 483 A C -0.869 176.742 177.584 0.044 0.000 1.108 483 A CA -0.332 51.766 52.037 0.103 0.000 0.830 483 A CB 0.012 19.106 19.000 0.157 0.000 1.106 483 A HN 0.622 nan 8.150 nan 0.000 0.493 484 F N -1.145 118.732 119.950 -0.122 0.000 2.654 484 F HA 0.749 5.270 4.527 -0.009 0.000 0.308 484 F C -1.204 174.531 175.800 -0.108 0.000 1.108 484 F CA -1.293 56.514 58.000 -0.321 0.000 0.957 484 F CB 0.878 39.085 39.000 -1.322 0.000 1.309 484 F HN 0.411 nan 8.300 nan 0.000 0.446 485 I N 2.154 122.785 120.570 0.102 0.000 2.498 485 I HA 0.438 4.601 4.170 -0.011 0.000 0.301 485 I C -0.452 175.698 176.117 0.056 0.000 0.984 485 I CA -0.895 60.365 61.300 -0.067 0.000 1.204 485 I CB 1.941 39.854 38.000 -0.146 0.000 1.362 485 I HN 0.575 nan 8.210 nan 0.000 0.471 486 K N 3.836 124.256 120.400 0.033 0.000 2.376 486 K HA 0.364 4.678 4.320 -0.011 0.000 0.257 486 K C -0.329 176.287 176.600 0.027 0.000 0.939 486 K CA -0.441 55.891 56.287 0.075 0.000 0.809 486 K CB 1.982 34.559 32.500 0.127 0.000 1.121 486 K HN 0.806 nan 8.250 nan 0.000 0.425 487 S N 2.025 117.734 115.700 0.015 0.000 2.608 487 S HA 0.121 4.585 4.470 -0.011 0.000 0.261 487 S C 1.282 175.890 174.600 0.015 0.000 1.314 487 S CA -0.487 57.715 58.200 0.003 0.000 0.992 487 S CB 1.225 64.426 63.200 0.002 0.000 0.935 487 S HN 0.581 nan 8.310 nan 0.000 0.564 488 K N 1.334 121.740 120.400 0.010 0.000 2.074 488 K HA -0.180 4.134 4.320 -0.011 0.000 0.209 488 K C 1.250 177.862 176.600 0.019 0.000 1.048 488 K CA 2.103 58.401 56.287 0.017 0.000 0.926 488 K CB -1.012 31.495 32.500 0.011 0.000 0.713 488 K HN 0.928 nan 8.250 nan 0.000 0.444 489 D N -1.061 119.347 120.400 0.013 0.000 2.332 489 D HA -0.022 4.611 4.640 -0.011 0.000 0.244 489 D C 0.891 177.197 176.300 0.010 0.000 1.136 489 D CA 0.818 54.825 54.000 0.012 0.000 0.884 489 D CB -0.306 40.499 40.800 0.008 0.000 0.906 489 D HN 0.353 nan 8.370 nan 0.000 0.520 490 G N 0.263 109.072 108.800 0.014 0.000 2.175 490 G HA2 -0.300 3.654 3.960 -0.011 0.000 0.265 490 G HA3 -0.300 3.654 3.960 -0.011 0.000 0.265 490 G C 0.391 175.286 174.900 -0.009 0.000 0.979 490 G CA 0.761 45.864 45.100 0.005 0.000 0.663 490 G HN 0.609 nan 8.290 nan 0.000 0.533 491 T N -0.364 114.189 114.554 -0.001 0.000 2.928 491 T HA 0.518 4.862 4.350 -0.011 0.000 0.284 491 T C 0.733 175.434 174.700 0.003 0.000 1.008 491 T CA -0.089 62.008 62.100 -0.006 0.000 1.057 491 T CB 1.290 70.158 68.868 0.001 0.000 1.018 491 T HN 0.561 nan 8.240 nan 0.000 0.493 492 V N 6.448 126.358 119.914 -0.008 0.000 2.446 492 V HA 0.139 4.252 4.120 -0.011 0.000 0.276 492 V C 1.451 177.566 176.094 0.035 0.000 1.030 492 V CA 0.224 62.521 62.300 -0.004 0.000 1.033 492 V CB 0.588 32.370 31.823 -0.067 0.000 0.993 492 V HN 0.898 nan 8.190 nan 0.000 0.477 493 K N 2.643 123.071 120.400 0.047 0.000 2.020 493 K HA 0.070 4.384 4.320 -0.011 0.000 0.206 493 K C 0.823 177.496 176.600 0.121 0.000 1.038 493 K CA 1.331 57.655 56.287 0.063 0.000 0.947 493 K CB 0.222 32.742 32.500 0.033 0.000 0.744 493 K HN 0.840 nan 8.250 nan 0.000 0.442 494 S N -1.776 114.023 115.700 0.165 0.000 2.688 494 S HA 0.481 4.944 4.470 -0.011 0.000 0.275 494 S C -1.726 173.028 174.600 0.257 0.000 1.175 494 S CA -1.130 57.247 58.200 0.295 0.000 0.818 494 S CB 1.039 64.478 63.200 0.398 0.000 1.157 494 S HN 0.236 nan 8.310 nan 0.000 0.482 495 W N 0.559 121.948 121.300 0.148 0.000 2.902 495 W HA 0.606 5.259 4.660 -0.011 0.000 0.346 495 W C -0.082 176.001 176.519 -0.727 0.000 1.139 495 W CA -0.608 56.678 57.345 -0.098 0.000 1.139 495 W CB 1.479 30.884 29.460 -0.092 0.000 1.439 495 W HN 0.903 nan 8.180 nan 0.000 0.558 496 Q N 0.560 119.922 119.800 -0.729 0.000 2.330 496 Q HA 0.021 4.355 4.340 -0.011 0.000 0.279 496 Q C 0.999 176.623 176.000 -0.625 0.000 1.024 496 Q CA 0.859 55.950 55.803 -1.186 0.000 0.900 496 Q CB 1.026 29.446 28.738 -0.531 0.000 1.221 496 Q HN 0.628 nan 8.270 nan 0.000 0.396 497 T N 4.094 118.257 114.554 -0.651 0.000 2.759 497 T HA -0.084 4.259 4.350 -0.011 0.000 0.269 497 T C 0.667 175.254 174.700 -0.189 0.000 1.042 497 T CA 1.225 63.155 62.100 -0.284 0.000 1.140 497 T CB -0.054 68.715 68.868 -0.165 0.000 0.864 497 T HN 0.606 nan 8.240 nan 0.000 0.455 498 I N 0.561 121.017 120.570 -0.190 0.000 2.545 498 I HA 0.334 4.498 4.170 -0.011 0.000 0.292 498 I C -0.607 175.426 176.117 -0.140 0.000 1.040 498 I CA -1.117 60.102 61.300 -0.136 0.000 1.068 498 I CB 2.107 40.048 38.000 -0.098 0.000 1.251 498 I HN -0.053 nan 8.210 nan 0.000 0.424 499 Q N 6.026 125.754 119.800 -0.120 0.000 2.286 499 Q HA 0.146 4.479 4.340 -0.011 0.000 0.267 499 Q C -0.853 175.045 176.000 -0.170 0.000 1.028 499 Q CA -0.414 55.325 55.803 -0.107 0.000 0.901 499 Q CB 0.810 29.508 28.738 -0.067 0.000 1.183 499 Q HN 0.525 nan 8.270 nan 0.000 0.392 500 Q N 1.387 120.974 119.800 -0.355 0.000 2.249 500 Q HA 0.466 4.800 4.340 -0.011 0.000 0.226 500 Q C -0.525 175.123 176.000 -0.588 0.000 0.983 500 Q CA -0.172 55.269 55.803 -0.603 0.000 0.930 500 Q CB 1.876 29.913 28.738 -1.168 0.000 1.193 500 Q HN 0.839 nan 8.270 nan 0.000 0.508 501 S N -1.154 114.359 115.700 -0.312 0.000 2.615 501 S HA 0.656 5.120 4.470 -0.011 0.000 0.269 501 S C -1.918 172.938 174.600 0.427 0.000 1.161 501 S CA -0.910 57.370 58.200 0.134 0.000 0.817 501 S CB 1.460 64.740 63.200 0.133 0.000 1.131 501 S HN 0.569 nan 8.310 nan 0.000 0.467 502 W N 2.245 123.722 121.300 0.294 0.000 2.740 502 W HA 0.480 5.132 4.660 -0.012 0.000 0.316 502 W C -1.778 174.822 176.519 0.135 0.000 1.020 502 W CA -0.975 56.523 57.345 0.254 0.000 1.278 502 W CB 1.364 30.958 29.460 0.224 0.000 1.224 502 W HN 0.807 nan 8.180 nan 0.000 0.393 503 N N 6.463 125.387 118.700 0.375 0.000 2.706 503 N HA 0.338 5.071 4.740 -0.011 0.000 0.240 503 N C -2.276 173.314 175.510 0.133 0.000 1.039 503 N CA -0.747 52.419 53.050 0.194 0.000 0.888 503 N CB 1.881 40.459 38.487 0.152 0.000 1.128 503 N HN 0.159 nan 8.380 nan 0.000 0.512 504 P HA 0.367 nan 4.420 nan 0.000 0.304 504 P C -0.263 176.942 177.300 -0.159 0.000 1.310 504 P CA -0.543 62.550 63.100 -0.012 0.000 0.796 504 P CB 1.282 32.951 31.700 -0.051 0.000 1.297 505 V N 2.810 122.529 119.914 -0.325 0.000 2.521 505 V HA 0.129 4.243 4.120 -0.011 0.000 0.286 505 V C -1.663 174.098 176.094 -0.556 0.000 1.034 505 V CA -1.004 60.847 62.300 -0.749 0.000 1.045 505 V CB 0.108 31.550 31.823 -0.634 0.000 0.974 505 V HN 0.599 nan 8.190 nan 0.000 0.480 506 P HA 0.113 nan 4.420 nan 0.000 0.271 506 P C 0.484 177.633 177.300 -0.251 0.000 1.218 506 P CA -0.299 62.620 63.100 -0.301 0.000 0.780 506 P CB 1.090 32.679 31.700 -0.184 0.000 0.901 507 L N 0.722 121.855 121.223 -0.150 0.000 2.056 507 L HA -0.066 4.268 4.340 -0.011 0.000 0.207 507 L C 1.186 177.997 176.870 -0.098 0.000 1.078 507 L CA 1.889 56.658 54.840 -0.118 0.000 0.749 507 L CB -1.211 40.803 42.059 -0.075 0.000 0.901 507 L HN 0.310 nan 8.230 nan 0.000 0.433 508 K N -0.144 120.213 120.400 -0.072 0.000 2.218 508 K HA 0.242 4.556 4.320 -0.011 0.000 0.276 508 K C -0.001 176.576 176.600 -0.038 0.000 1.022 508 K CA -0.082 56.180 56.287 -0.042 0.000 0.946 508 K CB 0.526 33.018 32.500 -0.013 0.000 1.000 508 K HN -0.146 nan 8.250 nan 0.000 0.468 509 T N 2.900 117.441 114.554 -0.021 0.000 2.793 509 T HA 0.103 4.447 4.350 -0.011 0.000 0.289 509 T C 0.139 174.872 174.700 0.054 0.000 0.956 509 T CA 0.276 62.378 62.100 0.004 0.000 1.177 509 T CB 0.026 68.897 68.868 0.006 0.000 0.897 509 T HN 0.572 nan 8.240 nan 0.000 0.533 510 T N 1.738 116.366 114.554 0.122 0.000 2.555 510 T HA 0.691 5.035 4.350 -0.011 0.000 0.234 510 T C -0.356 174.500 174.700 0.260 0.000 0.837 510 T CA -0.792 61.423 62.100 0.192 0.000 1.163 510 T CB 1.462 70.492 68.868 0.270 0.000 1.556 510 T HN 0.447 nan 8.240 nan 0.000 0.520 511 S N 0.146 116.019 115.700 0.289 0.000 2.543 511 S HA 0.384 4.847 4.470 -0.011 0.000 0.271 511 S C -2.049 172.585 174.600 0.057 0.000 1.148 511 S CA -0.620 57.704 58.200 0.207 0.000 0.914 511 S CB 0.893 64.155 63.200 0.103 0.000 1.096 511 S HN 0.717 nan 8.310 nan 0.000 0.471 512 H N 3.592 122.531 119.070 -0.219 0.000 2.690 512 H HA 0.424 4.972 4.556 -0.013 0.000 0.280 512 H C -0.727 174.482 175.328 -0.198 0.000 1.138 512 H CA 0.096 55.833 56.048 -0.518 0.000 1.241 512 H CB 0.372 29.415 29.762 -1.199 0.000 1.394 512 H HN 0.505 nan 8.280 nan 0.000 0.489 513 T N 3.468 117.925 114.554 -0.160 0.000 2.837 513 T HA 0.410 4.753 4.350 -0.011 0.000 0.285 513 T C -0.277 174.399 174.700 -0.041 0.000 0.984 513 T CA -0.446 61.639 62.100 -0.024 0.000 1.049 513 T CB 0.874 69.724 68.868 -0.031 0.000 0.947 513 T HN 0.705 nan 8.240 nan 0.000 0.472 514 S N 1.664 117.410 115.700 0.078 0.000 2.570 514 S HA 0.703 5.167 4.470 -0.011 0.000 0.270 514 S C -0.906 173.758 174.600 0.107 0.000 1.149 514 S CA -0.948 57.293 58.200 0.068 0.000 0.837 514 S CB 1.718 64.982 63.200 0.107 0.000 1.124 514 S HN 0.445 nan 8.310 nan 0.000 0.465 515 S N 1.507 117.262 115.700 0.092 0.000 2.608 515 S HA 0.514 4.978 4.470 -0.011 0.000 0.291 515 S C -0.325 174.382 174.600 0.179 0.000 1.146 515 S CA -0.751 57.537 58.200 0.147 0.000 1.043 515 S CB 0.592 63.862 63.200 0.117 0.000 1.037 515 S HN 0.666 nan 8.310 nan 0.000 0.520 516 W N 0.000 121.327 121.300 0.046 0.000 2.388 516 W HA 0.000 4.652 4.660 -0.013 0.000 0.303 516 W CA 0.000 57.368 57.345 0.039 0.000 1.226 516 W CB 0.000 29.479 29.460 0.032 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535