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 3hqp_1_H DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.610 174.600 0.017 0.000 1.055 1 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 1 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 2 Q N 0.801 120.596 119.800 -0.009 0.000 2.096 2 Q HA 0.003 4.343 4.340 -0.000 0.000 0.204 2 Q C 1.773 177.791 176.000 0.030 0.000 0.982 2 Q CA 2.425 58.229 55.803 0.001 0.000 0.850 2 Q CB -0.586 28.123 28.738 -0.048 0.000 0.901 2 Q HN 0.740 nan 8.270 nan 0.000 0.422 3 L N -0.535 120.692 121.223 0.006 0.000 2.046 3 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 3 L C 2.141 179.020 176.870 0.015 0.000 1.077 3 L CA 1.469 56.309 54.840 0.001 0.000 0.747 3 L CB -0.500 41.554 42.059 -0.008 0.000 0.896 3 L HN 0.355 nan 8.230 nan 0.000 0.432 4 A N -1.252 121.588 122.820 0.032 0.000 1.898 4 A HA -0.315 4.005 4.320 -0.000 0.000 0.216 4 A C 2.085 179.706 177.584 0.061 0.000 1.181 4 A CA 1.863 53.924 52.037 0.039 0.000 0.620 4 A CB -0.917 18.109 19.000 0.044 0.000 0.819 4 A HN 0.647 nan 8.150 nan 0.000 0.442 5 H N 0.566 119.631 119.070 -0.009 0.000 2.387 5 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 5 H C 1.845 177.166 175.328 -0.012 0.000 1.090 5 H CA 1.903 57.949 56.048 -0.003 0.000 1.332 5 H CB -0.093 29.668 29.762 -0.002 0.000 1.386 5 H HN 0.407 nan 8.280 nan 0.000 0.516 6 N N 0.248 118.923 118.700 -0.042 0.000 2.223 6 N HA -0.117 4.623 4.740 -0.000 0.000 0.185 6 N C 1.891 177.339 175.510 -0.103 0.000 1.016 6 N CA 1.180 54.170 53.050 -0.099 0.000 0.863 6 N CB -0.219 38.235 38.487 -0.056 0.000 0.983 6 N HN 0.437 nan 8.380 nan 0.000 0.429 7 L N 0.327 121.509 121.223 -0.069 0.000 2.217 7 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 7 L C 2.159 178.995 176.870 -0.057 0.000 1.107 7 L CA 1.322 56.135 54.840 -0.046 0.000 0.783 7 L CB -0.855 41.191 42.059 -0.021 0.000 0.919 7 L HN 0.269 nan 8.230 nan 0.000 0.442 8 T N -2.410 112.084 114.554 -0.100 0.000 3.088 8 T HA 0.132 4.482 4.350 -0.000 0.000 0.259 8 T C 0.804 175.434 174.700 -0.117 0.000 1.122 8 T CA -0.115 61.928 62.100 -0.096 0.000 1.095 8 T CB -0.338 68.471 68.868 -0.099 0.000 0.930 8 T HN 0.058 nan 8.240 nan 0.000 0.508 9 L N 1.752 122.878 121.223 -0.162 0.000 2.439 9 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 9 L C 0.456 177.293 176.870 -0.055 0.000 1.179 9 L CA -0.422 54.342 54.840 -0.126 0.000 0.828 9 L CB 1.009 42.983 42.059 -0.140 0.000 1.106 9 L HN 0.135 nan 8.230 nan 0.000 0.467 10 S N 0.922 116.601 115.700 -0.034 0.000 2.549 10 S HA 0.469 4.939 4.470 -0.000 0.000 0.280 10 S C 0.492 175.014 174.600 -0.131 0.000 1.109 10 S CA -0.795 57.391 58.200 -0.025 0.000 0.905 10 S CB 1.620 64.894 63.200 0.123 0.000 1.081 10 S HN 0.551 nan 8.310 nan 0.000 0.477 11 I N 0.318 120.641 120.570 -0.411 0.000 3.226 11 I HA 0.249 4.419 4.170 -0.000 0.000 0.277 11 I C 0.745 176.603 176.117 -0.432 0.000 1.243 11 I CA 0.818 61.825 61.300 -0.489 0.000 1.459 11 I CB -0.217 37.412 38.000 -0.620 0.000 1.093 11 I HN 0.487 nan 8.210 nan 0.000 0.453 12 F N 1.261 121.217 119.950 0.009 0.000 2.387 12 F HA 0.179 4.706 4.527 -0.000 0.000 0.294 12 F C 0.751 176.556 175.800 0.008 0.000 1.093 12 F CA -0.288 57.716 58.000 0.007 0.000 1.420 12 F CB -0.615 38.388 39.000 0.005 0.000 1.086 12 F HN -0.041 nan 8.300 nan 0.000 0.531 13 D N 3.325 123.829 120.400 0.175 0.000 2.371 13 D HA 0.123 4.763 4.640 -0.000 0.000 0.256 13 D C -1.967 174.374 176.300 0.069 0.000 1.193 13 D CA -0.850 53.218 54.000 0.113 0.000 0.881 13 D CB 0.136 40.992 40.800 0.094 0.000 1.143 13 D HN -0.004 nan 8.370 nan 0.000 0.473 14 P HA -0.109 nan 4.420 nan 0.000 0.267 14 P C 0.249 177.570 177.300 0.035 0.000 1.175 14 P CA -0.106 63.020 63.100 0.043 0.000 0.763 14 P CB 0.394 32.120 31.700 0.043 0.000 0.795 15 V N -0.369 119.557 119.914 0.020 0.000 3.489 15 V HA 0.569 4.689 4.120 -0.000 0.000 0.297 15 V C 0.444 176.549 176.094 0.019 0.000 1.071 15 V CA -0.692 61.613 62.300 0.008 0.000 1.074 15 V CB -0.346 31.468 31.823 -0.015 0.000 1.188 15 V HN 0.670 nan 8.190 nan 0.000 0.458 16 A N 0.925 123.743 122.820 -0.003 0.000 2.332 16 A HA 0.315 4.635 4.320 -0.000 0.000 0.258 16 A C 1.045 178.670 177.584 0.068 0.000 1.087 16 A CA 0.017 52.068 52.037 0.022 0.000 0.802 16 A CB -0.482 18.467 19.000 -0.085 0.000 1.042 16 A HN 1.112 nan 8.150 nan 0.000 0.489 17 N N -0.653 118.155 118.700 0.181 0.000 2.521 17 N HA 0.099 4.839 4.740 -0.000 0.000 0.188 17 N C -0.343 175.394 175.510 0.377 0.000 1.146 17 N CA 0.403 53.601 53.050 0.246 0.000 0.893 17 N CB -0.161 38.490 38.487 0.275 0.000 0.975 17 N HN 0.735 nan 8.380 nan 0.000 0.451 18 Y N -1.934 118.417 120.300 0.085 0.000 2.513 18 Y HA 0.463 5.013 4.550 -0.000 0.000 0.340 18 Y C -1.275 174.637 175.900 0.019 0.000 1.055 18 Y CA -1.581 56.556 58.100 0.062 0.000 1.020 18 Y CB 1.246 39.673 38.460 -0.056 0.000 1.301 18 Y HN -0.244 nan 8.280 nan 0.000 0.453 19 R N 2.956 123.403 120.500 -0.088 0.000 2.229 19 R HA 0.656 4.996 4.340 -0.000 0.000 0.332 19 R C 0.238 176.475 176.300 -0.104 0.000 0.989 19 R CA 0.353 56.349 56.100 -0.172 0.000 0.842 19 R CB 1.497 31.762 30.300 -0.059 0.000 1.119 19 R HN 1.087 nan 8.270 nan 0.000 0.456 20 A N 4.338 127.033 122.820 -0.209 0.000 1.897 20 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 20 A C 0.962 178.538 177.584 -0.014 0.000 1.181 20 A CA 1.114 53.124 52.037 -0.044 0.000 0.620 20 A CB -0.233 18.726 19.000 -0.069 0.000 0.821 20 A HN 0.756 nan 8.150 nan 0.000 0.443 21 A N 0.233 123.023 122.820 -0.050 0.000 2.425 21 A HA 0.508 4.828 4.320 -0.000 0.000 0.242 21 A C 0.326 177.908 177.584 -0.004 0.000 1.077 21 A CA -0.206 51.812 52.037 -0.032 0.000 0.781 21 A CB 0.174 19.142 19.000 -0.053 0.000 1.020 21 A HN 0.410 nan 8.150 nan 0.000 0.494 22 R N 0.446 120.950 120.500 0.007 0.000 2.711 22 R HA 0.588 4.928 4.340 -0.000 0.000 0.284 22 R C -1.222 175.094 176.300 0.026 0.000 0.968 22 R CA -0.513 55.602 56.100 0.026 0.000 0.924 22 R CB 1.425 31.747 30.300 0.038 0.000 1.162 22 R HN 0.674 nan 8.270 nan 0.000 0.465 23 I N 3.615 124.207 120.570 0.037 0.000 2.362 23 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 23 I C -0.023 176.130 176.117 0.060 0.000 0.994 23 I CA -0.531 60.794 61.300 0.041 0.000 1.158 23 I CB 1.347 39.369 38.000 0.037 0.000 1.315 23 I HN 0.313 nan 8.210 nan 0.000 0.451 24 I N 5.755 126.367 120.570 0.070 0.000 2.354 24 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 24 I C -0.634 175.540 176.117 0.095 0.000 0.989 24 I CA -0.421 60.942 61.300 0.106 0.000 1.188 24 I CB 1.310 39.408 38.000 0.164 0.000 1.342 24 I HN 0.493 nan 8.210 nan 0.000 0.457 25 C N 3.340 122.698 119.300 0.097 0.000 2.379 25 C HA 0.516 4.976 4.460 -0.000 0.000 0.323 25 C C 0.757 175.812 174.990 0.109 0.000 1.262 25 C CA -0.665 58.406 59.018 0.087 0.000 1.581 25 C CB 1.193 28.975 27.740 0.070 0.000 2.221 25 C HN 0.775 nan 8.230 nan 0.000 0.497 26 T N 3.962 118.584 114.554 0.113 0.000 2.780 26 T HA 0.480 4.830 4.350 -0.000 0.000 0.294 26 T C -0.150 174.626 174.700 0.127 0.000 0.949 26 T CA -0.334 61.849 62.100 0.138 0.000 1.074 26 T CB -0.162 68.800 68.868 0.156 0.000 0.910 26 T HN 0.448 nan 8.240 nan 0.000 0.501 27 I N 4.955 125.616 120.570 0.151 0.000 2.395 27 I HA 0.571 4.741 4.170 -0.000 0.000 0.289 27 I C 1.063 177.300 176.117 0.200 0.000 1.023 27 I CA -0.257 61.130 61.300 0.146 0.000 1.350 27 I CB 0.432 38.509 38.000 0.128 0.000 1.409 27 I HN 0.936 nan 8.210 nan 0.000 0.507 28 G N 6.542 115.440 108.800 0.164 0.000 3.058 28 G HA2 0.497 4.457 3.960 -0.000 0.000 0.282 28 G HA3 0.497 4.457 3.960 -0.000 0.000 0.282 28 G C -2.465 172.546 174.900 0.186 0.000 1.248 28 G CA -0.469 44.752 45.100 0.201 0.000 0.822 28 G HN 0.280 nan 8.290 nan 0.000 0.579 29 P HA -0.035 nan 4.420 nan 0.000 0.217 29 P C 1.918 179.255 177.300 0.062 0.000 1.148 29 P CA 1.674 64.844 63.100 0.117 0.000 0.828 29 P CB 0.229 31.965 31.700 0.061 0.000 0.783 30 S N -1.715 114.012 115.700 0.043 0.000 2.436 30 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 30 S C 1.289 175.902 174.600 0.023 0.000 1.014 30 S CA 1.624 59.836 58.200 0.020 0.000 0.950 30 S CB -0.643 62.560 63.200 0.006 0.000 0.784 30 S HN 0.340 nan 8.310 nan 0.000 0.504 31 T N -1.808 112.769 114.554 0.038 0.000 3.460 31 T HA 0.337 4.687 4.350 -0.000 0.000 0.304 31 T C 0.628 175.344 174.700 0.028 0.000 0.991 31 T CA -0.454 61.666 62.100 0.033 0.000 0.975 31 T CB 0.311 69.203 68.868 0.041 0.000 1.196 31 T HN 0.122 nan 8.240 nan 0.000 0.490 32 Q N 1.816 121.626 119.800 0.017 0.000 2.354 32 Q HA 0.121 4.460 4.340 -0.000 0.000 0.203 32 Q C 0.951 176.927 176.000 -0.040 0.000 0.933 32 Q CA 0.227 56.013 55.803 -0.028 0.000 0.901 32 Q CB 0.268 28.953 28.738 -0.089 0.000 1.007 32 Q HN 0.703 nan 8.270 nan 0.000 0.495 33 S N -0.784 114.904 115.700 -0.020 0.000 2.572 33 S HA -0.003 4.467 4.470 -0.000 0.000 0.279 33 S C 1.104 175.696 174.600 -0.013 0.000 1.341 33 S CA -0.249 57.940 58.200 -0.019 0.000 1.043 33 S CB 1.535 64.730 63.200 -0.010 0.000 0.887 33 S HN 0.152 nan 8.310 nan 0.000 0.516 34 V N 1.387 121.292 119.914 -0.014 0.000 2.392 34 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 34 V C 2.548 178.641 176.094 -0.001 0.000 1.059 34 V CA 2.753 65.048 62.300 -0.008 0.000 1.051 34 V CB -0.901 30.916 31.823 -0.010 0.000 0.658 34 V HN 1.055 nan 8.190 nan 0.000 0.455 35 E N 0.632 120.832 120.200 -0.000 0.000 2.072 35 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 35 E C 2.080 178.685 176.600 0.008 0.000 0.985 35 E CA 1.779 58.181 56.400 0.004 0.000 0.801 35 E CB -0.606 29.096 29.700 0.003 0.000 0.750 35 E HN 0.649 nan 8.360 nan 0.000 0.452 36 A N 0.130 122.955 122.820 0.008 0.000 2.014 36 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 36 A C 2.240 179.835 177.584 0.018 0.000 1.163 36 A CA 0.987 53.032 52.037 0.013 0.000 0.652 36 A CB -0.538 18.468 19.000 0.011 0.000 0.808 36 A HN 0.323 nan 8.150 nan 0.000 0.449 37 L N -0.745 120.486 121.223 0.014 0.000 2.093 37 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 37 L C 2.560 179.441 176.870 0.019 0.000 1.085 37 L CA 1.382 56.233 54.840 0.017 0.000 0.755 37 L CB -0.330 41.736 42.059 0.010 0.000 0.904 37 L HN 0.319 nan 8.230 nan 0.000 0.435 38 K N -0.064 120.345 120.400 0.015 0.000 2.026 38 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 38 K C 2.117 178.730 176.600 0.022 0.000 1.048 38 K CA 1.427 57.724 56.287 0.017 0.000 0.929 38 K CB -0.562 31.945 32.500 0.013 0.000 0.713 38 K HN 0.396 nan 8.250 nan 0.000 0.439 39 G N 1.350 110.164 108.800 0.023 0.000 2.450 39 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 39 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 39 G C 1.391 176.312 174.900 0.034 0.000 1.130 39 G CA 0.568 45.685 45.100 0.028 0.000 0.760 39 G HN 0.044 nan 8.290 nan 0.000 0.557 40 L N 0.561 121.804 121.223 0.034 0.000 2.027 40 L HA 0.091 4.431 4.340 -0.000 0.000 0.206 40 L C 2.867 179.759 176.870 0.037 0.000 1.074 40 L CA 1.034 55.897 54.840 0.038 0.000 0.745 40 L CB -0.706 41.377 42.059 0.039 0.000 0.898 40 L HN 0.226 nan 8.230 nan 0.000 0.433 41 I N -1.076 119.514 120.570 0.033 0.000 2.127 41 I HA -0.366 3.804 4.170 -0.000 0.000 0.241 41 I C 2.479 178.618 176.117 0.036 0.000 1.075 41 I CA 1.292 62.612 61.300 0.034 0.000 1.334 41 I CB -0.357 37.660 38.000 0.029 0.000 1.040 41 I HN 0.369 nan 8.210 nan 0.000 0.405 42 Q N 0.075 119.894 119.800 0.032 0.000 2.170 42 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 42 Q C 2.371 178.390 176.000 0.031 0.000 0.976 42 Q CA 1.653 57.474 55.803 0.031 0.000 0.858 42 Q CB -0.142 28.612 28.738 0.026 0.000 0.907 42 Q HN 0.443 nan 8.270 nan 0.000 0.433 43 S N -0.774 114.946 115.700 0.034 0.000 2.406 43 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 43 S C 1.157 175.777 174.600 0.034 0.000 1.020 43 S CA 0.986 59.207 58.200 0.034 0.000 0.965 43 S CB 0.301 63.527 63.200 0.043 0.000 0.798 43 S HN 0.634 nan 8.310 nan 0.000 0.488 44 G N 1.192 110.014 108.800 0.038 0.000 2.244 44 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.163 44 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.163 44 G C -0.273 174.653 174.900 0.043 0.000 1.064 44 G CA -0.409 44.715 45.100 0.040 0.000 0.757 44 G HN 0.341 nan 8.290 nan 0.000 0.484 45 M N 0.715 120.341 119.600 0.044 0.000 2.211 45 M HA 0.607 5.087 4.480 -0.000 0.000 0.356 45 M C 0.843 177.171 176.300 0.047 0.000 1.216 45 M CA 0.163 55.491 55.300 0.047 0.000 1.134 45 M CB 1.166 33.793 32.600 0.046 0.000 1.564 45 M HN 0.003 nan 8.290 nan 0.000 0.463 46 S N 2.821 118.551 115.700 0.051 0.000 2.554 46 S HA 0.257 4.727 4.470 -0.000 0.000 0.227 46 S C -0.338 174.289 174.600 0.045 0.000 1.050 46 S CA -0.312 57.917 58.200 0.049 0.000 0.927 46 S CB 0.776 64.008 63.200 0.054 0.000 0.859 46 S HN 0.622 nan 8.310 nan 0.000 0.494 47 V N 1.849 121.797 119.914 0.057 0.000 2.623 47 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 47 V C -0.787 175.342 176.094 0.059 0.000 1.054 47 V CA -1.108 61.225 62.300 0.055 0.000 0.882 47 V CB 1.435 33.317 31.823 0.098 0.000 1.002 47 V HN 0.262 nan 8.190 nan 0.000 0.424 48 A N 4.829 127.666 122.820 0.028 0.000 2.260 48 A HA 0.643 4.963 4.320 -0.000 0.000 0.312 48 A C 0.143 177.741 177.584 0.024 0.000 1.321 48 A CA -0.416 51.644 52.037 0.039 0.000 0.928 48 A CB 0.155 19.173 19.000 0.031 0.000 1.158 48 A HN 0.853 nan 8.150 nan 0.000 0.542 49 R N 3.438 123.986 120.500 0.080 0.000 2.265 49 R HA 0.509 4.849 4.340 -0.000 0.000 0.314 49 R C -0.804 175.571 176.300 0.126 0.000 1.053 49 R CA -0.108 56.047 56.100 0.092 0.000 0.931 49 R CB 0.396 30.843 30.300 0.245 0.000 1.024 49 R HN 0.751 nan 8.270 nan 0.000 0.457 50 M N 4.068 123.722 119.600 0.091 0.000 2.114 50 M HA 0.209 4.689 4.480 -0.000 0.000 0.332 50 M C -0.406 175.999 176.300 0.174 0.000 1.014 50 M CA -0.747 54.638 55.300 0.142 0.000 0.956 50 M CB 1.619 34.278 32.600 0.097 0.000 1.551 50 M HN 0.424 nan 8.290 nan 0.000 0.427 51 N N 2.534 121.393 118.700 0.266 0.000 2.437 51 N HA 0.197 4.937 4.740 -0.000 0.000 0.243 51 N C -0.483 175.229 175.510 0.338 0.000 1.041 51 N CA -0.084 53.159 53.050 0.322 0.000 0.940 51 N CB 0.478 39.189 38.487 0.372 0.000 1.133 51 N HN 0.503 nan 8.380 nan 0.000 0.506 52 F N 1.230 121.206 119.950 0.044 0.000 2.804 52 F HA 0.114 4.641 4.527 -0.000 0.000 0.303 52 F C 1.988 177.840 175.800 0.086 0.000 1.154 52 F CA 0.145 58.200 58.000 0.091 0.000 1.401 52 F CB 0.091 39.113 39.000 0.036 0.000 1.106 52 F HN 0.441 nan 8.300 nan 0.000 0.568 53 S N -1.783 113.979 115.700 0.104 0.000 2.527 53 S HA 0.005 4.475 4.470 -0.000 0.000 0.222 53 S C -0.080 174.235 174.600 -0.476 0.000 0.985 53 S CA 0.412 58.492 58.200 -0.199 0.000 0.921 53 S CB -0.355 62.644 63.200 -0.335 0.000 0.772 53 S HN 0.376 nan 8.310 nan 0.000 0.529 54 H N -0.506 118.632 119.070 0.113 0.000 2.806 54 H HA 0.587 5.143 4.556 -0.000 0.000 0.367 54 H C 0.335 175.594 175.328 -0.116 0.000 1.136 54 H CA -0.118 55.926 56.048 -0.006 0.000 1.178 54 H CB 1.323 31.074 29.762 -0.019 0.000 1.718 54 H HN 0.214 nan 8.280 nan 0.000 0.540 55 G N 1.003 109.679 108.800 -0.207 0.000 2.755 55 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 55 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 55 G C 0.020 174.743 174.900 -0.295 0.000 1.427 55 G CA -0.344 44.456 45.100 -0.500 0.000 0.873 55 G HN 0.945 nan 8.290 nan 0.000 0.580 56 S N -0.373 115.197 115.700 -0.218 0.000 2.694 56 S HA 0.521 4.991 4.470 -0.000 0.000 0.278 56 S C 1.180 175.729 174.600 -0.085 0.000 1.152 56 S CA 0.308 58.435 58.200 -0.121 0.000 1.010 56 S CB 1.074 64.226 63.200 -0.080 0.000 1.104 56 S HN 0.762 nan 8.310 nan 0.000 0.547 57 H N -0.189 118.714 119.070 -0.280 0.000 2.387 57 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 57 H C 2.142 177.356 175.328 -0.190 0.000 1.090 57 H CA 1.545 57.306 56.048 -0.479 0.000 1.332 57 H CB 0.110 29.442 29.762 -0.716 0.000 1.386 57 H HN 0.763 nan 8.280 nan 0.000 0.516 58 E N 0.455 120.678 120.200 0.038 0.000 2.072 58 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 58 E C 1.911 178.538 176.600 0.045 0.000 0.985 58 E CA 0.710 57.146 56.400 0.061 0.000 0.801 58 E CB -0.038 29.686 29.700 0.040 0.000 0.750 58 E HN 0.439 nan 8.360 nan 0.000 0.452 59 Y N 0.785 121.011 120.300 -0.123 0.000 2.145 59 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 59 Y C 2.268 178.062 175.900 -0.178 0.000 1.145 59 Y CA 2.121 60.103 58.100 -0.197 0.000 1.148 59 Y CB -0.187 38.066 38.460 -0.345 0.000 0.981 59 Y HN 0.191 nan 8.280 nan 0.000 0.507 60 H N -0.761 118.353 119.070 0.073 0.000 2.495 60 H HA -0.107 4.449 4.556 -0.000 0.000 0.287 60 H C 2.057 177.462 175.328 0.128 0.000 1.033 60 H CA 1.428 57.514 56.048 0.062 0.000 1.307 60 H CB -0.185 29.577 29.762 0.000 0.000 1.401 60 H HN 0.406 nan 8.280 nan 0.000 0.555 61 Q N 0.810 120.774 119.800 0.274 0.000 2.084 61 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 61 Q C 2.068 178.112 176.000 0.074 0.000 0.978 61 Q CA 2.130 58.078 55.803 0.241 0.000 0.844 61 Q CB -0.282 28.609 28.738 0.255 0.000 0.898 61 Q HN 0.331 nan 8.270 nan 0.000 0.426 62 T N -0.177 114.361 114.554 -0.027 0.000 2.635 62 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 62 T C 1.767 176.408 174.700 -0.098 0.000 1.040 62 T CA 2.007 64.044 62.100 -0.105 0.000 1.156 62 T CB -0.889 67.837 68.868 -0.237 0.000 0.863 62 T HN 0.419 nan 8.240 nan 0.000 0.430 63 T N 2.270 116.751 114.554 -0.121 0.000 2.607 63 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 63 T C 2.010 176.718 174.700 0.012 0.000 1.049 63 T CA 1.352 63.425 62.100 -0.044 0.000 1.162 63 T CB -0.618 68.275 68.868 0.043 0.000 0.863 63 T HN 0.307 nan 8.240 nan 0.000 0.424 64 I N 1.548 122.149 120.570 0.052 0.000 2.118 64 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 64 I C 2.511 178.628 176.117 -0.000 0.000 1.070 64 I CA 1.281 62.599 61.300 0.029 0.000 1.327 64 I CB -0.498 37.521 38.000 0.033 0.000 1.034 64 I HN 0.187 nan 8.210 nan 0.000 0.405 65 N N 1.038 119.738 118.700 0.000 0.000 2.061 65 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 65 N C 1.569 177.069 175.510 -0.017 0.000 1.030 65 N CA 1.499 54.542 53.050 -0.011 0.000 0.856 65 N CB -0.689 37.793 38.487 -0.008 0.000 1.023 65 N HN 0.353 nan 8.380 nan 0.000 0.424 66 N N 0.285 118.971 118.700 -0.022 0.000 2.188 66 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 66 N C 1.834 177.336 175.510 -0.014 0.000 1.018 66 N CA 0.442 53.478 53.050 -0.023 0.000 0.858 66 N CB -0.489 37.977 38.487 -0.035 0.000 0.989 66 N HN 0.052 nan 8.380 nan 0.000 0.426 67 V N 1.415 121.323 119.914 -0.010 0.000 2.295 67 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 67 V C 2.296 178.382 176.094 -0.013 0.000 1.049 67 V CA 1.480 63.777 62.300 -0.006 0.000 1.024 67 V CB -0.362 31.461 31.823 -0.000 0.000 0.648 67 V HN 0.247 nan 8.190 nan 0.000 0.447 68 R N -0.493 119.996 120.500 -0.020 0.000 2.096 68 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 68 R C 2.425 178.711 176.300 -0.023 0.000 1.127 68 R CA 1.662 57.745 56.100 -0.028 0.000 0.968 68 R CB -0.295 29.985 30.300 -0.035 0.000 0.861 68 R HN 0.594 nan 8.270 nan 0.000 0.440 69 Q N 0.244 120.033 119.800 -0.019 0.000 2.016 69 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 69 Q C 2.104 178.097 176.000 -0.011 0.000 0.978 69 Q CA 1.594 57.388 55.803 -0.015 0.000 0.833 69 Q CB -0.082 28.648 28.738 -0.014 0.000 0.895 69 Q HN 0.366 nan 8.270 nan 0.000 0.427 70 A N 0.884 123.700 122.820 -0.008 0.000 1.883 70 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 70 A C 2.287 179.871 177.584 -0.000 0.000 1.186 70 A CA 1.927 53.963 52.037 -0.002 0.000 0.624 70 A CB -1.102 17.898 19.000 0.001 0.000 0.822 70 A HN 0.563 nan 8.150 nan 0.000 0.444 71 A N -0.267 122.551 122.820 -0.004 0.000 1.902 71 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 71 A C 2.507 180.087 177.584 -0.007 0.000 1.181 71 A CA 2.210 54.245 52.037 -0.004 0.000 0.623 71 A CB -1.020 17.972 19.000 -0.012 0.000 0.818 71 A HN 1.118 nan 8.150 nan 0.000 0.443 72 A N -0.294 122.518 122.820 -0.014 0.000 1.933 72 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 72 A C 1.891 179.471 177.584 -0.006 0.000 1.175 72 A CA 1.636 53.663 52.037 -0.015 0.000 0.628 72 A CB -0.497 18.491 19.000 -0.020 0.000 0.814 72 A HN 0.636 nan 8.150 nan 0.000 0.444 73 E N -0.572 119.627 120.200 -0.003 0.000 2.268 73 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 73 E C 1.009 177.613 176.600 0.006 0.000 0.995 73 E CA 0.720 57.120 56.400 0.001 0.000 0.836 73 E CB -0.098 29.602 29.700 0.001 0.000 0.763 73 E HN 0.634 nan 8.360 nan 0.000 0.491 74 L N -0.703 120.525 121.223 0.010 0.000 2.728 74 L HA 0.303 4.643 4.340 -0.000 0.000 0.238 74 L C 0.910 177.794 176.870 0.023 0.000 1.143 74 L CA -0.119 54.731 54.840 0.017 0.000 0.937 74 L CB 0.435 42.506 42.059 0.020 0.000 1.225 74 L HN 0.083 nan 8.230 nan 0.000 0.507 75 G N 1.973 110.783 108.800 0.017 0.000 2.338 75 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.296 75 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.296 75 G C 0.016 174.935 174.900 0.032 0.000 1.040 75 G CA 0.564 45.677 45.100 0.023 0.000 1.004 75 G HN 0.335 nan 8.290 nan 0.000 0.509 76 V N -3.792 116.135 119.914 0.021 0.000 3.126 76 V HA 0.861 4.981 4.120 -0.000 0.000 0.314 76 V C -0.323 175.770 176.094 -0.001 0.000 1.138 76 V CA -1.878 60.437 62.300 0.025 0.000 1.034 76 V CB 2.313 34.159 31.823 0.039 0.000 1.075 76 V HN 0.139 nan 8.190 nan 0.000 0.442 77 N N 2.413 121.111 118.700 -0.003 0.000 2.476 77 N HA 0.557 5.297 4.740 -0.000 0.000 0.257 77 N C -1.245 174.257 175.510 -0.013 0.000 0.970 77 N CA -0.254 52.779 53.050 -0.028 0.000 0.938 77 N CB 1.533 39.992 38.487 -0.047 0.000 1.144 77 N HN 0.597 nan 8.380 nan 0.000 0.500 78 I N 1.412 121.971 120.570 -0.018 0.000 2.404 78 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 78 I C 0.686 176.790 176.117 -0.021 0.000 0.992 78 I CA -1.125 60.171 61.300 -0.007 0.000 1.149 78 I CB 1.129 39.129 38.000 0.001 0.000 1.315 78 I HN 0.323 nan 8.210 nan 0.000 0.446 79 A N 7.632 130.443 122.820 -0.016 0.000 2.407 79 A HA 0.656 4.976 4.320 -0.000 0.000 0.248 79 A C -0.127 177.426 177.584 -0.051 0.000 1.082 79 A CA -0.157 51.859 52.037 -0.034 0.000 0.785 79 A CB 0.229 19.217 19.000 -0.021 0.000 1.020 79 A HN 0.634 nan 8.150 nan 0.000 0.489 80 I N 1.331 121.851 120.570 -0.085 0.000 2.389 80 I HA 0.531 4.701 4.170 -0.000 0.000 0.288 80 I C 0.317 176.315 176.117 -0.199 0.000 0.999 80 I CA -0.241 60.995 61.300 -0.107 0.000 1.129 80 I CB 1.901 39.853 38.000 -0.080 0.000 1.288 80 I HN 0.647 nan 8.210 nan 0.000 0.444 81 A N 7.137 129.775 122.820 -0.302 0.000 2.318 81 A HA 0.675 4.995 4.320 -0.000 0.000 0.317 81 A C -0.907 176.394 177.584 -0.472 0.000 1.159 81 A CA -0.509 51.163 52.037 -0.608 0.000 0.799 81 A CB 1.159 19.361 19.000 -1.330 0.000 1.194 81 A HN 0.792 nan 8.150 nan 0.000 0.479 82 L N 2.993 123.972 121.223 -0.407 0.000 2.261 82 L HA 0.291 4.631 4.340 -0.000 0.000 0.289 82 L C -0.518 176.215 176.870 -0.228 0.000 1.059 82 L CA -0.466 54.188 54.840 -0.310 0.000 0.816 82 L CB 0.580 42.385 42.059 -0.424 0.000 1.191 82 L HN 0.688 nan 8.230 nan 0.000 0.431 83 D N 3.950 124.329 120.400 -0.035 0.000 2.339 83 D HA 0.077 4.717 4.640 -0.000 0.000 0.241 83 D C -0.263 176.108 176.300 0.118 0.000 1.183 83 D CA -0.108 53.979 54.000 0.146 0.000 0.859 83 D CB 1.151 42.117 40.800 0.278 0.000 1.067 83 D HN 0.450 nan 8.370 nan 0.000 0.484 84 T N 3.421 118.024 114.554 0.081 0.000 2.926 84 T HA 0.011 4.361 4.350 -0.000 0.000 0.307 84 T C 1.627 176.419 174.700 0.153 0.000 1.059 84 T CA -0.067 62.076 62.100 0.070 0.000 1.122 84 T CB 1.311 70.211 68.868 0.054 0.000 0.972 84 T HN 0.347 nan 8.240 nan 0.000 0.545 85 K N 1.667 122.168 120.400 0.167 0.000 1.985 85 K HA 0.074 4.394 4.320 -0.000 0.000 0.210 85 K C 1.286 178.010 176.600 0.207 0.000 1.047 85 K CA 1.110 57.503 56.287 0.177 0.000 0.932 85 K CB -0.552 32.040 32.500 0.153 0.000 0.716 85 K HN 0.971 nan 8.250 nan 0.000 0.439 86 G N 0.471 109.375 108.800 0.174 0.000 2.782 86 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.228 86 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.228 86 G C -2.576 172.399 174.900 0.125 0.000 1.372 86 G CA -0.428 44.789 45.100 0.195 0.000 0.862 86 G HN 0.124 nan 8.290 nan 0.000 0.547 87 P HA 0.182 nan 4.420 nan 0.000 0.238 87 P C 0.101 177.231 177.300 -0.282 0.000 1.729 87 P CA 0.727 63.798 63.100 -0.047 0.000 1.055 87 P CB -0.681 31.004 31.700 -0.025 0.000 1.980 88 E N 1.242 121.327 120.200 -0.191 0.000 2.232 88 E HA 0.611 4.960 4.350 -0.000 0.000 0.264 88 E C -0.860 175.678 176.600 -0.105 0.000 0.973 88 E CA -1.242 54.982 56.400 -0.295 0.000 0.849 88 E CB 1.384 31.075 29.700 -0.013 0.000 1.198 88 E HN 0.057 nan 8.360 nan 0.000 0.407 89 I N 1.304 121.815 120.570 -0.098 0.000 2.378 89 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 89 I C 0.015 176.149 176.117 0.029 0.000 0.992 89 I CA -0.896 60.401 61.300 -0.005 0.000 1.154 89 I CB 1.357 39.330 38.000 -0.044 0.000 1.315 89 I HN 0.327 nan 8.210 nan 0.000 0.448 90 R N 2.803 123.326 120.500 0.039 0.000 2.854 90 R HA 0.597 4.937 4.340 -0.000 0.000 0.271 90 R C -0.208 176.115 176.300 0.038 0.000 0.996 90 R CA -0.677 55.457 56.100 0.057 0.000 0.961 90 R CB 2.346 32.677 30.300 0.053 0.000 1.182 90 R HN 0.772 nan 8.270 nan 0.000 0.479 91 T N -1.841 112.761 114.554 0.080 0.000 2.810 91 T HA 0.512 4.862 4.350 -0.000 0.000 0.277 91 T C 0.829 175.563 174.700 0.056 0.000 0.973 91 T CA -0.451 61.698 62.100 0.081 0.000 0.949 91 T CB 1.165 70.127 68.868 0.157 0.000 1.075 91 T HN 0.530 nan 8.240 nan 0.000 0.537 92 G N -0.667 108.166 108.800 0.056 0.000 2.525 92 G HA2 0.464 4.424 3.960 -0.000 0.000 0.287 92 G HA3 0.464 4.424 3.960 -0.000 0.000 0.287 92 G C -0.494 174.271 174.900 -0.225 0.000 1.350 92 G CA -0.850 44.284 45.100 0.057 0.000 1.039 92 G HN 0.841 nan 8.290 nan 0.000 0.513 93 Q N -1.158 118.539 119.800 -0.171 0.000 2.312 93 Q HA 0.407 4.747 4.340 -0.000 0.000 0.236 93 Q C -1.218 174.564 176.000 -0.363 0.000 0.965 93 Q CA 0.060 55.753 55.803 -0.183 0.000 0.894 93 Q CB 1.389 30.101 28.738 -0.043 0.000 1.225 93 Q HN 0.362 nan 8.270 nan 0.000 0.478 94 F N -0.241 119.725 119.950 0.027 0.000 2.492 94 F HA 0.283 4.810 4.527 -0.000 0.000 0.327 94 F C -0.084 175.728 175.800 0.020 0.000 1.079 94 F CA -1.081 56.931 58.000 0.018 0.000 0.967 94 F CB 1.165 40.141 39.000 -0.040 0.000 1.169 94 F HN 0.154 nan 8.300 nan 0.000 0.472 95 V N 2.826 122.877 119.914 0.227 0.000 2.493 95 V HA 0.329 4.449 4.120 -0.000 0.000 0.292 95 V C 0.898 177.057 176.094 0.108 0.000 1.016 95 V CA 1.408 63.787 62.300 0.132 0.000 1.097 95 V CB 0.006 31.899 31.823 0.117 0.000 0.947 95 V HN 1.101 nan 8.190 nan 0.000 0.479 96 G N 3.703 112.545 108.800 0.071 0.000 2.399 96 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.216 96 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.216 96 G C 1.005 175.929 174.900 0.040 0.000 1.096 96 G CA 0.344 45.471 45.100 0.045 0.000 0.650 96 G HN 2.066 nan 8.290 nan 0.000 0.512 97 G N -0.344 108.496 108.800 0.067 0.000 2.813 97 G HA2 0.383 4.343 3.960 -0.000 0.000 0.194 97 G HA3 0.383 4.343 3.960 -0.000 0.000 0.194 97 G C -0.212 174.719 174.900 0.053 0.000 1.010 97 G CA 0.973 46.106 45.100 0.057 0.000 0.771 97 G HN 2.004 nan 8.290 nan 0.000 0.485 98 D N -0.774 119.628 120.400 0.003 0.000 2.615 98 D HA 0.741 5.381 4.640 -0.000 0.000 0.267 98 D C -0.426 175.694 176.300 -0.300 0.000 1.236 98 D CA -0.048 53.864 54.000 -0.147 0.000 0.839 98 D CB 1.246 41.955 40.800 -0.151 0.000 1.380 98 D HN 1.073 nan 8.370 nan 0.000 0.433 99 A N 0.640 123.085 122.820 -0.625 0.000 2.357 99 A HA 0.577 4.897 4.320 -0.000 0.000 0.295 99 A C -0.922 176.400 177.584 -0.437 0.000 1.121 99 A CA -0.837 50.836 52.037 -0.607 0.000 0.742 99 A CB 1.298 19.634 19.000 -1.107 0.000 1.181 99 A HN 0.495 nan 8.150 nan 0.000 0.454 100 V N 4.514 124.276 119.914 -0.254 0.000 2.405 100 V HA 0.231 4.351 4.120 -0.000 0.000 0.264 100 V C 0.023 176.031 176.094 -0.143 0.000 1.048 100 V CA 0.008 62.196 62.300 -0.186 0.000 0.966 100 V CB 0.378 32.128 31.823 -0.121 0.000 1.015 100 V HN 0.812 nan 8.190 nan 0.000 0.477 101 M N 4.454 123.972 119.600 -0.137 0.000 2.180 101 M HA 0.504 4.984 4.480 -0.000 0.000 0.350 101 M C -0.060 176.220 176.300 -0.034 0.000 1.125 101 M CA -0.207 55.050 55.300 -0.071 0.000 1.031 101 M CB 1.099 33.665 32.600 -0.056 0.000 1.623 101 M HN 0.581 nan 8.290 nan 0.000 0.451 102 E N 1.762 121.950 120.200 -0.020 0.000 2.191 102 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 102 E C -0.348 176.247 176.600 -0.008 0.000 0.972 102 E CA -0.730 55.662 56.400 -0.014 0.000 0.804 102 E CB 2.188 31.879 29.700 -0.015 0.000 1.110 102 E HN 0.442 nan 8.360 nan 0.000 0.394 103 R N 1.480 121.976 120.500 -0.007 0.000 2.473 103 R HA 0.033 4.373 4.340 -0.000 0.000 0.315 103 R C 0.747 177.040 176.300 -0.011 0.000 0.972 103 R CA 1.445 57.540 56.100 -0.008 0.000 1.047 103 R CB -0.288 30.006 30.300 -0.009 0.000 0.932 103 R HN 0.859 nan 8.270 nan 0.000 0.411 104 G N 2.158 110.950 108.800 -0.013 0.000 2.213 104 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.226 104 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.226 104 G C 0.094 174.980 174.900 -0.024 0.000 0.992 104 G CA -0.086 45.004 45.100 -0.017 0.000 0.632 104 G HN 0.935 nan 8.290 nan 0.000 0.511 105 A N 0.281 123.087 122.820 -0.023 0.000 2.445 105 A HA 0.642 4.962 4.320 -0.000 0.000 0.242 105 A C 0.690 178.240 177.584 -0.058 0.000 1.075 105 A CA 1.360 53.380 52.037 -0.029 0.000 0.777 105 A CB 0.565 19.557 19.000 -0.015 0.000 1.013 105 A HN 1.370 nan 8.150 nan 0.000 0.493 106 T N 1.780 116.283 114.554 -0.086 0.000 2.781 106 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 106 T C -0.129 174.400 174.700 -0.286 0.000 1.001 106 T CA -0.191 61.799 62.100 -0.183 0.000 0.950 106 T CB -1.166 67.593 68.868 -0.182 0.000 0.955 106 T HN 1.194 nan 8.240 nan 0.000 0.471 107 C N 4.515 123.623 119.300 -0.321 0.000 2.595 107 C HA 0.880 5.340 4.460 -0.000 0.000 0.338 107 C C -1.165 173.501 174.990 -0.540 0.000 1.219 107 C CA -1.237 57.608 59.018 -0.289 0.000 1.811 107 C CB 0.189 27.928 27.740 -0.002 0.000 2.313 107 C HN 0.794 nan 8.230 nan 0.000 0.499 108 Y N 0.697 120.929 120.300 -0.113 0.000 2.376 108 Y HA 0.604 5.154 4.550 -0.000 0.000 0.340 108 Y C 0.338 175.994 175.900 -0.407 0.000 0.965 108 Y CA -0.830 57.146 58.100 -0.207 0.000 1.078 108 Y CB 1.845 40.201 38.460 -0.172 0.000 1.193 108 Y HN 0.801 nan 8.280 nan 0.000 0.452 109 V N -0.152 119.601 119.914 -0.267 0.000 2.459 109 V HA 0.836 4.956 4.120 -0.000 0.000 0.295 109 V C -0.389 175.572 176.094 -0.221 0.000 1.029 109 V CA -0.419 61.619 62.300 -0.438 0.000 0.874 109 V CB 1.418 32.987 31.823 -0.422 0.000 0.985 109 V HN 0.799 nan 8.190 nan 0.000 0.438 110 T N 2.084 116.521 114.554 -0.194 0.000 2.907 110 T HA 0.524 4.874 4.350 -0.000 0.000 0.292 110 T C 0.651 175.395 174.700 0.073 0.000 1.043 110 T CA 0.226 62.283 62.100 -0.070 0.000 1.003 110 T CB 2.032 70.800 68.868 -0.166 0.000 1.084 110 T HN 0.897 nan 8.240 nan 0.000 0.483 111 T N 2.012 116.641 114.554 0.125 0.000 3.086 111 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 111 T C 0.159 175.097 174.700 0.396 0.000 1.074 111 T CA -0.234 62.001 62.100 0.224 0.000 0.988 111 T CB -0.174 68.763 68.868 0.116 0.000 0.988 111 T HN 0.572 nan 8.240 nan 0.000 0.530 112 D N 2.435 123.029 120.400 0.323 0.000 2.358 112 D HA 0.150 4.790 4.640 -0.000 0.000 0.258 112 D C -1.620 174.716 176.300 0.060 0.000 1.223 112 D CA -2.116 52.029 54.000 0.241 0.000 0.886 112 D CB 1.430 42.428 40.800 0.331 0.000 1.120 112 D HN -0.014 nan 8.370 nan 0.000 0.482 113 P HA -0.069 nan 4.420 nan 0.000 0.222 113 P C 0.741 177.802 177.300 -0.399 0.000 1.147 113 P CA 0.718 63.539 63.100 -0.465 0.000 0.790 113 P CB 0.195 31.775 31.700 -0.200 0.000 0.780 114 A N -1.480 121.210 122.820 -0.218 0.000 2.067 114 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 114 A C 1.464 178.835 177.584 -0.355 0.000 1.158 114 A CA 0.958 52.828 52.037 -0.279 0.000 0.661 114 A CB -1.560 17.255 19.000 -0.309 0.000 0.801 114 A HN 0.141 nan 8.150 nan 0.000 0.452 115 F N -0.573 119.269 119.950 -0.179 0.000 2.692 115 F HA 0.297 4.824 4.527 -0.000 0.000 0.303 115 F C 2.162 177.911 175.800 -0.085 0.000 1.114 115 F CA 0.233 58.187 58.000 -0.077 0.000 1.361 115 F CB 0.009 39.025 39.000 0.026 0.000 1.063 115 F HN 0.256 nan 8.300 nan 0.000 0.550 116 A N 0.499 123.233 122.820 -0.142 0.000 1.897 116 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 116 A C 2.099 179.669 177.584 -0.023 0.000 1.181 116 A CA 1.943 53.919 52.037 -0.102 0.000 0.620 116 A CB -0.470 18.358 19.000 -0.286 0.000 0.821 116 A HN 0.410 nan 8.150 nan 0.000 0.443 117 D N -0.840 119.525 120.400 -0.058 0.000 2.354 117 D HA 0.028 4.668 4.640 -0.000 0.000 0.209 117 D C 0.284 176.574 176.300 -0.016 0.000 1.015 117 D CA 0.375 54.351 54.000 -0.041 0.000 0.867 117 D CB -0.081 40.687 40.800 -0.054 0.000 0.933 117 D HN 0.300 nan 8.370 nan 0.000 0.520 118 K N 0.714 121.114 120.400 0.001 0.000 2.414 118 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 118 K C -0.360 176.338 176.600 0.164 0.000 1.037 118 K CA -0.439 55.881 56.287 0.055 0.000 0.980 118 K CB 1.813 34.312 32.500 -0.001 0.000 1.280 118 K HN 0.070 nan 8.250 nan 0.000 0.451 119 G N 1.411 110.300 108.800 0.148 0.000 2.617 119 G HA2 0.549 4.509 3.960 -0.000 0.000 0.306 119 G HA3 0.549 4.509 3.960 -0.000 0.000 0.306 119 G C -0.497 174.660 174.900 0.428 0.000 1.360 119 G CA -0.397 44.832 45.100 0.215 0.000 0.983 119 G HN 0.386 nan 8.290 nan 0.000 0.496 120 T N -1.659 113.201 114.554 0.510 0.000 2.804 120 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 120 T C 1.209 176.176 174.700 0.445 0.000 1.099 120 T CA -0.667 61.686 62.100 0.422 0.000 1.011 120 T CB 1.877 70.902 68.868 0.262 0.000 1.291 120 T HN 0.586 nan 8.240 nan 0.000 0.523 121 K N -0.011 120.521 120.400 0.219 0.000 2.360 121 K HA -0.064 4.256 4.320 -0.000 0.000 0.201 121 K C 0.591 177.347 176.600 0.260 0.000 1.046 121 K CA 1.392 57.784 56.287 0.174 0.000 0.945 121 K CB -0.187 32.335 32.500 0.036 0.000 0.750 121 K HN 0.451 nan 8.250 nan 0.000 0.464 122 D N 0.586 121.142 120.400 0.260 0.000 2.324 122 D HA 0.032 4.672 4.640 -0.000 0.000 0.212 122 D C 0.023 176.494 176.300 0.286 0.000 0.984 122 D CA 0.704 54.844 54.000 0.233 0.000 0.885 122 D CB 0.486 41.407 40.800 0.203 0.000 0.996 122 D HN 0.136 nan 8.370 nan 0.000 0.505 123 K N 0.185 120.761 120.400 0.293 0.000 2.588 123 K HA 0.322 4.642 4.320 -0.000 0.000 0.250 123 K C -1.732 175.027 176.600 0.265 0.000 0.972 123 K CA -0.511 55.867 56.287 0.151 0.000 0.821 123 K CB 1.295 33.794 32.500 -0.003 0.000 1.249 123 K HN -0.095 nan 8.250 nan 0.000 0.442 124 F N 1.011 121.024 119.950 0.106 0.000 2.662 124 F HA 0.511 5.038 4.527 -0.000 0.000 0.312 124 F C -1.669 174.193 175.800 0.103 0.000 1.113 124 F CA -1.336 56.730 58.000 0.110 0.000 0.951 124 F CB 0.616 39.695 39.000 0.132 0.000 1.344 124 F HN 0.357 nan 8.300 nan 0.000 0.462 125 Y N 2.395 122.812 120.300 0.194 0.000 2.310 125 Y HA 0.746 5.296 4.550 -0.000 0.000 0.326 125 Y C -1.041 174.949 175.900 0.150 0.000 1.151 125 Y CA -1.513 56.651 58.100 0.106 0.000 1.195 125 Y CB 1.057 39.590 38.460 0.121 0.000 1.210 125 Y HN 0.621 nan 8.280 nan 0.000 0.483 126 I N 5.876 126.062 120.570 -0.641 0.000 2.466 126 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 126 I C -0.065 175.492 176.117 -0.933 0.000 1.026 126 I CA -0.659 60.311 61.300 -0.550 0.000 1.078 126 I CB 1.865 39.759 38.000 -0.176 0.000 1.249 126 I HN 0.726 nan 8.210 nan 0.000 0.429 127 D N 4.934 124.953 120.400 -0.635 0.000 2.363 127 D HA -0.191 4.448 4.640 -0.000 0.000 0.220 127 D C 0.418 176.681 176.300 -0.061 0.000 0.994 127 D CA 0.273 54.066 54.000 -0.345 0.000 0.890 127 D CB -0.121 40.672 40.800 -0.011 0.000 0.906 127 D HN 0.344 nan 8.370 nan 0.000 0.530 128 Y N 2.489 122.696 120.300 -0.156 0.000 2.632 128 Y HA -0.034 4.516 4.550 -0.000 0.000 0.329 128 Y C 1.661 177.540 175.900 -0.035 0.000 1.174 128 Y CA -0.061 57.995 58.100 -0.073 0.000 1.469 128 Y CB 0.663 39.083 38.460 -0.066 0.000 1.242 128 Y HN -0.159 nan 8.280 nan 0.000 0.540 129 Q N 3.573 123.031 119.800 -0.569 0.000 2.103 129 Q HA -0.279 4.061 4.340 -0.000 0.000 0.213 129 Q C -0.196 175.647 176.000 -0.263 0.000 1.008 129 Q CA 2.328 57.897 55.803 -0.390 0.000 0.879 129 Q CB -0.362 28.109 28.738 -0.446 0.000 0.946 129 Q HN 0.824 nan 8.270 nan 0.000 0.413 130 N N -1.262 117.228 118.700 -0.350 0.000 2.751 130 N HA 0.169 4.908 4.740 -0.000 0.000 0.238 130 N C 0.188 175.824 175.510 0.211 0.000 1.351 130 N CA -0.121 52.907 53.050 -0.037 0.000 0.751 130 N CB -0.391 38.072 38.487 -0.040 0.000 1.342 130 N HN 0.126 nan 8.380 nan 0.000 0.540 131 L N -2.390 119.030 121.223 0.328 0.000 2.610 131 L HA 0.345 4.685 4.340 -0.000 0.000 0.232 131 L C 0.829 177.792 176.870 0.154 0.000 1.149 131 L CA 0.357 55.370 54.840 0.289 0.000 0.872 131 L CB -0.116 42.054 42.059 0.186 0.000 0.992 131 L HN 0.192 nan 8.230 nan 0.000 0.447 132 S N 0.678 116.459 115.700 0.136 0.000 2.371 132 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 132 S C 1.537 176.209 174.600 0.119 0.000 1.029 132 S CA 1.152 59.431 58.200 0.132 0.000 0.978 132 S CB -0.134 63.119 63.200 0.089 0.000 0.833 132 S HN 0.498 nan 8.310 nan 0.000 0.466 133 K N 1.025 121.478 120.400 0.089 0.000 2.500 133 K HA 0.268 4.588 4.320 -0.000 0.000 0.206 133 K C 0.384 177.032 176.600 0.079 0.000 1.034 133 K CA 0.043 56.368 56.287 0.062 0.000 1.179 133 K CB 0.496 33.017 32.500 0.036 0.000 0.884 133 K HN 0.164 nan 8.250 nan 0.000 0.493 134 V N -0.031 119.943 119.914 0.099 0.000 3.307 134 V HA 0.019 4.139 4.120 -0.000 0.000 0.244 134 V C 0.526 176.648 176.094 0.047 0.000 1.196 134 V CA -0.008 62.336 62.300 0.072 0.000 1.132 134 V CB 1.188 33.053 31.823 0.071 0.000 0.875 134 V HN 0.087 nan 8.190 nan 0.000 0.468 135 V N -0.898 119.054 119.914 0.063 0.000 2.715 135 V HA 0.684 4.804 4.120 -0.000 0.000 0.310 135 V C -0.472 175.665 176.094 0.073 0.000 1.054 135 V CA -0.951 61.371 62.300 0.038 0.000 0.928 135 V CB 1.919 33.741 31.823 -0.002 0.000 1.007 135 V HN 0.244 nan 8.190 nan 0.000 0.437 136 R N 2.601 123.117 120.500 0.026 0.000 2.674 136 R HA 0.578 4.918 4.340 -0.000 0.000 0.266 136 R C -2.677 173.581 176.300 -0.070 0.000 1.016 136 R CA -2.111 54.015 56.100 0.043 0.000 1.062 136 R CB 1.562 31.881 30.300 0.031 0.000 1.142 136 R HN 0.540 nan 8.270 nan 0.000 0.517 137 P HA 0.052 nan 4.420 nan 0.000 0.265 137 P C 0.160 177.385 177.300 -0.125 0.000 1.222 137 P CA 0.825 63.840 63.100 -0.141 0.000 0.767 137 P CB 0.619 32.267 31.700 -0.088 0.000 0.801 138 G N 2.638 111.334 108.800 -0.174 0.000 2.380 138 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.197 138 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.197 138 G C 0.319 175.001 174.900 -0.363 0.000 1.001 138 G CA -0.562 44.405 45.100 -0.222 0.000 0.668 138 G HN 0.505 nan 8.290 nan 0.000 0.483 139 N N -0.109 118.420 118.700 -0.286 0.000 2.371 139 N HA 0.526 5.266 4.740 -0.000 0.000 0.243 139 N C -0.614 174.685 175.510 -0.351 0.000 1.287 139 N CA 0.287 53.159 53.050 -0.297 0.000 0.911 139 N CB 0.305 38.719 38.487 -0.123 0.000 1.142 139 N HN 0.230 nan 8.380 nan 0.000 0.451 140 Y N 0.402 120.660 120.300 -0.070 0.000 2.361 140 Y HA 0.486 5.036 4.550 -0.000 0.000 0.332 140 Y C 0.013 175.807 175.900 -0.178 0.000 1.101 140 Y CA -0.586 57.394 58.100 -0.199 0.000 1.137 140 Y CB 0.812 39.053 38.460 -0.364 0.000 1.207 140 Y HN 0.227 nan 8.280 nan 0.000 0.463 141 I N 3.801 124.340 120.570 -0.052 0.000 2.389 141 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 141 I C -1.296 174.766 176.117 -0.092 0.000 0.999 141 I CA -0.945 60.353 61.300 -0.002 0.000 1.129 141 I CB 1.031 39.046 38.000 0.024 0.000 1.288 141 I HN 0.458 nan 8.210 nan 0.000 0.444 142 Y N 6.480 126.823 120.300 0.071 0.000 2.341 142 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 142 Y C 0.149 176.097 175.900 0.080 0.000 0.997 142 Y CA -0.683 57.453 58.100 0.058 0.000 1.149 142 Y CB 0.845 39.328 38.460 0.038 0.000 1.171 142 Y HN 0.247 nan 8.280 nan 0.000 0.494 143 I N 2.893 123.582 120.570 0.199 0.000 2.474 143 I HA 0.206 4.376 4.170 -0.000 0.000 0.294 143 I C -0.149 176.079 176.117 0.184 0.000 1.005 143 I CA -0.932 60.483 61.300 0.192 0.000 1.113 143 I CB 1.577 39.693 38.000 0.193 0.000 1.289 143 I HN 0.661 nan 8.210 nan 0.000 0.436 144 D N 4.634 125.146 120.400 0.186 0.000 2.848 144 D HA -0.197 4.443 4.640 -0.000 0.000 0.245 144 D C -0.087 176.300 176.300 0.144 0.000 1.122 144 D CA 0.728 54.839 54.000 0.185 0.000 0.769 144 D CB -0.771 40.181 40.800 0.253 0.000 1.025 144 D HN 0.746 nan 8.370 nan 0.000 0.423 145 D N -0.237 120.246 120.400 0.138 0.000 2.751 145 D HA -0.159 4.481 4.640 -0.000 0.000 0.233 145 D C 1.242 177.594 176.300 0.087 0.000 1.149 145 D CA 2.281 56.342 54.000 0.102 0.000 0.682 145 D CB -1.443 39.403 40.800 0.077 0.000 1.068 145 D HN 1.174 nan 8.370 nan 0.000 0.429 146 G N -0.783 108.103 108.800 0.143 0.000 2.168 146 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.257 146 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.257 146 G C 1.250 176.204 174.900 0.089 0.000 0.997 146 G CA 0.566 45.790 45.100 0.207 0.000 0.708 146 G HN 0.557 nan 8.290 nan 0.000 0.520 147 I N -1.037 119.532 120.570 -0.002 0.000 2.333 147 I HA 0.132 4.302 4.170 -0.000 0.000 0.246 147 I C 1.361 177.364 176.117 -0.189 0.000 1.106 147 I CA 0.604 61.801 61.300 -0.172 0.000 1.411 147 I CB -0.019 37.754 38.000 -0.379 0.000 1.082 147 I HN 0.256 nan 8.210 nan 0.000 0.420 148 L N 1.659 122.849 121.223 -0.055 0.000 2.272 148 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 148 L C -0.596 176.269 176.870 -0.008 0.000 1.032 148 L CA -0.043 54.809 54.840 0.020 0.000 0.810 148 L CB 0.875 43.037 42.059 0.172 0.000 1.205 148 L HN -0.054 nan 8.230 nan 0.000 0.422 149 I N 6.068 126.588 120.570 -0.084 0.000 2.404 149 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 149 I C -0.765 175.294 176.117 -0.096 0.000 0.992 149 I CA -0.569 60.609 61.300 -0.204 0.000 1.149 149 I CB 1.549 39.315 38.000 -0.390 0.000 1.315 149 I HN 0.479 nan 8.210 nan 0.000 0.446 150 L N 6.218 127.400 121.223 -0.068 0.000 2.322 150 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 150 L C -0.334 176.554 176.870 0.030 0.000 1.014 150 L CA -0.559 54.280 54.840 -0.002 0.000 0.815 150 L CB 1.799 43.872 42.059 0.023 0.000 1.247 150 L HN 0.570 nan 8.230 nan 0.000 0.421 151 Q N 2.301 122.119 119.800 0.030 0.000 2.290 151 Q HA 0.397 4.737 4.340 -0.000 0.000 0.259 151 Q C -1.168 174.774 176.000 -0.097 0.000 0.941 151 Q CA -0.720 55.072 55.803 -0.017 0.000 0.912 151 Q CB 2.071 30.814 28.738 0.009 0.000 1.244 151 Q HN 0.458 nan 8.270 nan 0.000 0.441 152 V N 4.755 124.583 119.914 -0.143 0.000 2.479 152 V HA -0.047 4.073 4.120 -0.000 0.000 0.281 152 V C 0.716 176.709 176.094 -0.167 0.000 1.031 152 V CA 0.284 62.485 62.300 -0.165 0.000 1.038 152 V CB 1.143 32.851 31.823 -0.192 0.000 0.981 152 V HN 0.919 nan 8.190 nan 0.000 0.478 153 Q N 3.301 123.010 119.800 -0.153 0.000 2.287 153 Q HA 0.157 4.497 4.340 -0.000 0.000 0.201 153 Q C 0.601 176.530 176.000 -0.119 0.000 0.946 153 Q CA 0.902 56.632 55.803 -0.121 0.000 0.868 153 Q CB 0.676 29.353 28.738 -0.101 0.000 0.967 153 Q HN 0.994 nan 8.270 nan 0.000 0.516 154 S N -1.053 114.564 115.700 -0.139 0.000 2.552 154 S HA 0.346 4.816 4.470 -0.000 0.000 0.272 154 S C -1.315 173.194 174.600 -0.152 0.000 1.150 154 S CA -1.077 57.050 58.200 -0.121 0.000 0.849 154 S CB 0.442 63.633 63.200 -0.015 0.000 1.113 154 S HN 0.223 nan 8.310 nan 0.000 0.458 155 H N 1.860 120.933 119.070 0.004 0.000 2.819 155 H HA 0.269 4.825 4.556 -0.000 0.000 0.303 155 H C 0.736 176.074 175.328 0.017 0.000 1.058 155 H CA -0.147 55.906 56.048 0.008 0.000 1.471 155 H CB 0.811 30.573 29.762 0.000 0.000 1.480 155 H HN 0.680 nan 8.280 nan 0.000 0.517 156 E N 2.494 122.763 120.200 0.115 0.000 2.033 156 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 156 E C 0.353 176.976 176.600 0.039 0.000 0.979 156 E CA 1.238 57.676 56.400 0.063 0.000 0.802 156 E CB 0.388 30.099 29.700 0.018 0.000 0.763 156 E HN 0.812 nan 8.360 nan 0.000 0.449 157 D N -2.091 118.333 120.400 0.040 0.000 3.561 157 D HA 0.064 4.704 4.640 -0.000 0.000 0.302 157 D C 0.752 177.071 176.300 0.032 0.000 1.417 157 D CA -0.597 53.416 54.000 0.023 0.000 0.994 157 D CB 0.107 40.906 40.800 -0.002 0.000 1.358 157 D HN -0.188 nan 8.370 nan 0.000 0.626 158 E N -1.082 119.127 120.200 0.015 0.000 2.268 158 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 158 E C 1.372 177.991 176.600 0.031 0.000 0.995 158 E CA 1.285 57.692 56.400 0.012 0.000 0.836 158 E CB 0.207 29.910 29.700 0.005 0.000 0.763 158 E HN 0.398 nan 8.360 nan 0.000 0.491 159 Q N -1.112 118.708 119.800 0.033 0.000 2.619 159 Q HA 0.115 4.455 4.340 -0.000 0.000 0.230 159 Q C 0.102 176.117 176.000 0.025 0.000 0.871 159 Q CA 0.266 56.093 55.803 0.039 0.000 0.934 159 Q CB 0.891 29.657 28.738 0.047 0.000 1.183 159 Q HN 0.024 nan 8.270 nan 0.000 0.631 160 T N 2.498 117.049 114.554 -0.005 0.000 2.919 160 T HA 0.369 4.719 4.350 -0.000 0.000 0.302 160 T C -0.266 174.448 174.700 0.024 0.000 1.031 160 T CA 0.318 62.398 62.100 -0.033 0.000 1.127 160 T CB 0.353 69.158 68.868 -0.106 0.000 0.952 160 T HN 0.053 nan 8.240 nan 0.000 0.540 161 L N 1.856 123.096 121.223 0.028 0.000 2.388 161 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 161 L C 0.112 177.028 176.870 0.076 0.000 0.998 161 L CA -0.971 53.882 54.840 0.021 0.000 0.817 161 L CB 2.186 44.211 42.059 -0.057 0.000 1.338 161 L HN 0.576 nan 8.230 nan 0.000 0.414 162 E N 1.245 121.468 120.200 0.039 0.000 2.167 162 E HA 0.416 4.766 4.350 -0.000 0.000 0.284 162 E C -1.416 175.070 176.600 -0.189 0.000 1.016 162 E CA -0.427 55.926 56.400 -0.079 0.000 0.817 162 E CB 1.190 30.895 29.700 0.010 0.000 1.080 162 E HN 0.582 nan 8.360 nan 0.000 0.397 163 C N 2.647 121.783 119.300 -0.273 0.000 2.719 163 C HA 0.595 5.055 4.460 -0.000 0.000 0.327 163 C C -0.368 174.517 174.990 -0.176 0.000 1.238 163 C CA -0.548 58.357 59.018 -0.188 0.000 1.727 163 C CB 1.931 29.584 27.740 -0.145 0.000 2.256 163 C HN 0.711 nan 8.230 nan 0.000 0.489 164 T N 1.456 115.947 114.554 -0.105 0.000 2.792 164 T HA 0.414 4.764 4.350 -0.000 0.000 0.280 164 T C -0.488 174.192 174.700 -0.034 0.000 0.990 164 T CA -0.333 61.723 62.100 -0.074 0.000 0.960 164 T CB 1.141 69.977 68.868 -0.055 0.000 0.939 164 T HN 0.423 nan 8.240 nan 0.000 0.439 165 V N 4.309 124.207 119.914 -0.025 0.000 2.439 165 V HA 0.146 4.266 4.120 -0.000 0.000 0.271 165 V C 1.800 177.890 176.094 -0.006 0.000 1.040 165 V CA 0.020 62.319 62.300 -0.002 0.000 1.002 165 V CB 0.262 32.090 31.823 0.008 0.000 1.000 165 V HN 1.168 nan 8.190 nan 0.000 0.477 166 T N 1.284 115.833 114.554 -0.008 0.000 3.067 166 T HA 0.086 4.436 4.350 -0.000 0.000 0.257 166 T C 0.508 175.195 174.700 -0.022 0.000 1.105 166 T CA 0.466 62.557 62.100 -0.015 0.000 1.104 166 T CB -0.290 68.564 68.868 -0.024 0.000 0.925 166 T HN 0.800 nan 8.240 nan 0.000 0.498 167 N N -0.591 118.099 118.700 -0.016 0.000 2.494 167 N HA 0.434 5.174 4.740 -0.000 0.000 0.270 167 N C -1.656 173.862 175.510 0.013 0.000 1.285 167 N CA -0.910 52.133 53.050 -0.012 0.000 0.812 167 N CB 1.560 40.028 38.487 -0.031 0.000 1.557 167 N HN -0.117 nan 8.380 nan 0.000 0.487 168 S N 0.569 116.278 115.700 0.015 0.000 2.481 168 S HA 0.227 4.697 4.470 -0.000 0.000 0.276 168 S C -1.006 173.651 174.600 0.095 0.000 1.247 168 S CA 0.006 58.224 58.200 0.029 0.000 1.053 168 S CB -0.569 62.635 63.200 0.007 0.000 0.925 168 S HN 0.653 nan 8.310 nan 0.000 0.491 169 H N 1.133 120.170 119.070 -0.054 0.000 3.085 169 H HA 0.354 4.910 4.556 -0.000 0.000 0.356 169 H C -1.178 174.097 175.328 -0.089 0.000 1.178 169 H CA -0.367 55.645 56.048 -0.060 0.000 1.214 169 H CB 1.014 30.750 29.762 -0.043 0.000 1.881 169 H HN 0.453 nan 8.280 nan 0.000 0.538 170 T N 6.258 120.467 114.554 -0.574 0.000 2.749 170 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 170 T C 0.261 174.552 174.700 -0.682 0.000 0.970 170 T CA -0.616 61.182 62.100 -0.505 0.000 0.980 170 T CB -0.183 68.509 68.868 -0.294 0.000 0.924 170 T HN 0.494 nan 8.240 nan 0.000 0.456 171 I N -0.072 120.179 120.570 -0.530 0.000 2.493 171 I HA 0.737 4.907 4.170 -0.000 0.000 0.298 171 I C 0.153 176.096 176.117 -0.289 0.000 0.998 171 I CA -0.800 60.267 61.300 -0.388 0.000 1.137 171 I CB 1.913 39.731 38.000 -0.302 0.000 1.310 171 I HN 0.357 nan 8.210 nan 0.000 0.445 172 S N 2.631 118.276 115.700 -0.092 0.000 2.623 172 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 172 S C -0.513 174.213 174.600 0.211 0.000 1.148 172 S CA -0.569 57.642 58.200 0.018 0.000 1.028 172 S CB 0.421 63.624 63.200 0.006 0.000 1.145 172 S HN 0.676 nan 8.310 nan 0.000 0.523 173 D N 1.137 121.660 120.400 0.204 0.000 2.382 173 D HA 0.315 4.955 4.640 -0.000 0.000 0.245 173 D C -0.268 176.150 176.300 0.197 0.000 1.120 173 D CA 0.265 54.393 54.000 0.214 0.000 0.890 173 D CB 0.111 40.984 40.800 0.123 0.000 1.201 173 D HN 0.379 nan 8.370 nan 0.000 0.433 174 R N 0.489 121.080 120.500 0.150 0.000 3.084 174 R HA -0.211 4.129 4.340 -0.000 0.000 0.258 174 R C -0.520 175.916 176.300 0.226 0.000 0.914 174 R CA 0.161 56.356 56.100 0.158 0.000 0.646 174 R CB -1.126 29.263 30.300 0.148 0.000 1.330 174 R HN 0.198 nan 8.270 nan 0.000 0.465 175 R N 0.634 121.257 120.500 0.205 0.000 2.539 175 R HA 0.302 4.642 4.340 -0.000 0.000 0.275 175 R C 0.932 177.344 176.300 0.186 0.000 1.077 175 R CA 0.201 56.426 56.100 0.208 0.000 1.097 175 R CB 0.758 31.176 30.300 0.196 0.000 1.018 175 R HN 0.448 nan 8.270 nan 0.000 0.483 176 G N 1.185 110.101 108.800 0.194 0.000 2.358 176 G HA2 0.346 4.306 3.960 -0.000 0.000 0.273 176 G HA3 0.346 4.306 3.960 -0.000 0.000 0.273 176 G C -0.864 174.137 174.900 0.168 0.000 1.215 176 G CA -0.334 44.875 45.100 0.181 0.000 0.910 176 G HN 0.432 nan 8.290 nan 0.000 0.467 177 V N 3.564 123.559 119.914 0.135 0.000 2.435 177 V HA 0.558 4.678 4.120 -0.000 0.000 0.290 177 V C -0.618 175.529 176.094 0.089 0.000 1.030 177 V CA -1.239 61.139 62.300 0.129 0.000 0.881 177 V CB 1.481 33.373 31.823 0.114 0.000 0.983 177 V HN 0.694 nan 8.190 nan 0.000 0.445 178 N N 6.519 125.297 118.700 0.131 0.000 2.342 178 N HA 0.468 5.208 4.740 -0.000 0.000 0.293 178 N C -1.597 173.971 175.510 0.096 0.000 1.026 178 N CA -0.588 52.504 53.050 0.069 0.000 0.857 178 N CB 2.039 40.545 38.487 0.032 0.000 1.256 178 N HN 0.460 nan 8.380 nan 0.000 0.484 179 L N 3.676 124.894 121.223 -0.009 0.000 2.387 179 L HA 0.422 4.762 4.340 -0.000 0.000 0.259 179 L C -2.313 174.538 176.870 -0.033 0.000 1.050 179 L CA -1.917 52.928 54.840 0.009 0.000 0.922 179 L CB 0.165 42.174 42.059 -0.084 0.000 1.280 179 L HN 0.210 nan 8.230 nan 0.000 0.449 180 P HA 0.279 nan 4.420 nan 0.000 0.271 180 P C 0.924 178.204 177.300 -0.034 0.000 1.226 180 P CA 0.221 63.276 63.100 -0.074 0.000 0.765 180 P CB 0.907 32.504 31.700 -0.172 0.000 0.835 181 G N 2.365 111.138 108.800 -0.046 0.000 2.221 181 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 181 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 181 G C 0.694 175.571 174.900 -0.038 0.000 1.041 181 G CA 0.075 45.142 45.100 -0.055 0.000 0.807 181 G HN 0.580 nan 8.290 nan 0.000 0.502 182 C N -0.433 118.843 119.300 -0.039 0.000 2.926 182 C HA 0.393 4.853 4.460 -0.000 0.000 0.272 182 C C 1.072 176.042 174.990 -0.033 0.000 1.249 182 C CA 0.250 59.246 59.018 -0.036 0.000 1.691 182 C CB -0.573 27.135 27.740 -0.054 0.000 1.983 182 C HN 0.914 nan 8.230 nan 0.000 0.615 183 D N 1.070 121.449 120.400 -0.034 0.000 3.133 183 D HA -0.154 4.486 4.640 -0.000 0.000 0.239 183 D C -0.085 176.218 176.300 0.004 0.000 1.136 183 D CA 0.621 54.613 54.000 -0.013 0.000 0.898 183 D CB -0.732 40.066 40.800 -0.003 0.000 0.959 183 D HN 0.423 nan 8.370 nan 0.000 0.415 184 V N 0.053 119.957 119.914 -0.016 0.000 2.555 184 V HA 0.391 4.511 4.120 -0.000 0.000 0.286 184 V C 0.964 177.118 176.094 0.100 0.000 1.044 184 V CA -0.368 61.951 62.300 0.033 0.000 1.026 184 V CB 1.822 33.587 31.823 -0.097 0.000 0.981 184 V HN 0.303 nan 8.190 nan 0.000 0.480 185 D N 4.235 124.741 120.400 0.177 0.000 3.134 185 D HA 0.301 4.941 4.640 -0.000 0.000 0.248 185 D C -0.099 176.252 176.300 0.084 0.000 1.273 185 D CA 0.008 54.069 54.000 0.100 0.000 0.904 185 D CB -0.392 40.452 40.800 0.073 0.000 1.089 185 D HN 0.662 nan 8.370 nan 0.000 0.478 186 L N 1.878 123.156 121.223 0.092 0.000 2.334 186 L HA 0.423 4.763 4.340 -0.000 0.000 0.277 186 L C -1.652 175.240 176.870 0.037 0.000 1.075 186 L CA -1.733 53.144 54.840 0.062 0.000 0.804 186 L CB 1.250 43.349 42.059 0.065 0.000 1.174 186 L HN 0.060 nan 8.230 nan 0.000 0.438 187 P HA 0.051 nan 4.420 nan 0.000 0.269 187 P C 0.091 177.414 177.300 0.038 0.000 1.215 187 P CA -0.284 62.834 63.100 0.030 0.000 0.780 187 P CB 1.105 32.821 31.700 0.026 0.000 0.898 188 A N 2.777 125.621 122.820 0.040 0.000 1.858 188 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 188 A C 1.061 178.677 177.584 0.054 0.000 1.190 188 A CA 1.745 53.811 52.037 0.049 0.000 0.617 188 A CB -0.705 18.320 19.000 0.043 0.000 0.827 188 A HN 0.465 nan 8.150 nan 0.000 0.443 189 V N 1.154 121.095 119.914 0.045 0.000 2.380 189 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 189 V C 0.155 176.275 176.094 0.043 0.000 1.015 189 V CA -0.191 62.136 62.300 0.047 0.000 0.834 189 V CB 1.077 32.924 31.823 0.040 0.000 1.009 189 V HN 0.693 nan 8.190 nan 0.000 0.428 190 S N 5.903 121.632 115.700 0.048 0.000 2.634 190 S HA 0.622 5.092 4.470 -0.000 0.000 0.261 190 S C 1.552 176.179 174.600 0.044 0.000 1.271 190 S CA 0.154 58.380 58.200 0.043 0.000 0.985 190 S CB 1.607 64.835 63.200 0.046 0.000 0.968 190 S HN 1.583 nan 8.310 nan 0.000 0.568 191 A N 0.884 123.727 122.820 0.038 0.000 1.902 191 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 191 A C 2.212 179.827 177.584 0.051 0.000 1.181 191 A CA 1.807 53.867 52.037 0.038 0.000 0.623 191 A CB -0.961 18.056 19.000 0.028 0.000 0.818 191 A HN 0.909 nan 8.150 nan 0.000 0.443 192 K N -0.733 119.701 120.400 0.057 0.000 2.097 192 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 192 K C 1.368 178.031 176.600 0.104 0.000 1.050 192 K CA 1.337 57.671 56.287 0.078 0.000 0.938 192 K CB -0.143 32.403 32.500 0.077 0.000 0.718 192 K HN 0.379 nan 8.250 nan 0.000 0.442 193 D N 0.469 120.920 120.400 0.086 0.000 2.104 193 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 193 D C 1.970 178.309 176.300 0.066 0.000 0.994 193 D CA 1.176 55.222 54.000 0.076 0.000 0.830 193 D CB -0.065 40.775 40.800 0.065 0.000 0.959 193 D HN 0.176 nan 8.370 nan 0.000 0.452 194 R N 0.258 120.796 120.500 0.063 0.000 2.091 194 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 194 R C 2.414 178.765 176.300 0.085 0.000 1.136 194 R CA 0.705 56.840 56.100 0.059 0.000 0.959 194 R CB -0.416 29.914 30.300 0.050 0.000 0.856 194 R HN 0.096 nan 8.270 nan 0.000 0.437 195 V N 1.474 121.454 119.914 0.110 0.000 2.343 195 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 195 V C 1.469 177.724 176.094 0.269 0.000 1.051 195 V CA 1.984 64.384 62.300 0.167 0.000 1.036 195 V CB -0.394 31.508 31.823 0.132 0.000 0.654 195 V HN 0.274 nan 8.190 nan 0.000 0.451 196 D N -0.138 120.411 120.400 0.249 0.000 2.149 196 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 196 D C 2.110 178.420 176.300 0.017 0.000 0.972 196 D CA 0.948 55.079 54.000 0.218 0.000 0.835 196 D CB -0.205 40.683 40.800 0.148 0.000 0.966 196 D HN 0.330 nan 8.370 nan 0.000 0.476 197 L N 0.289 121.516 121.223 0.006 0.000 2.093 197 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 197 L C 2.433 179.300 176.870 -0.005 0.000 1.085 197 L CA 0.885 55.704 54.840 -0.036 0.000 0.755 197 L CB -0.235 41.814 42.059 -0.017 0.000 0.904 197 L HN -0.011 nan 8.230 nan 0.000 0.435 198 Q N 0.044 119.879 119.800 0.059 0.000 2.119 198 Q HA -0.243 4.097 4.340 -0.000 0.000 0.201 198 Q C 2.005 178.053 176.000 0.081 0.000 0.972 198 Q CA 1.731 57.575 55.803 0.067 0.000 0.847 198 Q CB -0.448 28.349 28.738 0.097 0.000 0.903 198 Q HN 0.421 nan 8.270 nan 0.000 0.433 199 F N -0.050 119.885 119.950 -0.024 0.000 2.134 199 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 199 F C 1.834 177.564 175.800 -0.116 0.000 1.097 199 F CA 1.952 59.904 58.000 -0.079 0.000 1.264 199 F CB -0.743 38.100 39.000 -0.261 0.000 1.001 199 F HN 0.160 nan 8.300 nan 0.000 0.479 200 G N 0.102 108.769 108.800 -0.221 0.000 2.421 200 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 200 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 200 G C 1.762 176.511 174.900 -0.252 0.000 1.171 200 G CA 1.324 46.242 45.100 -0.303 0.000 0.775 200 G HN 0.341 nan 8.290 nan 0.000 0.543 201 V N 0.920 120.737 119.914 -0.161 0.000 2.255 201 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 201 V C 2.665 178.677 176.094 -0.137 0.000 1.051 201 V CA 2.400 64.629 62.300 -0.119 0.000 1.018 201 V CB -0.724 31.059 31.823 -0.066 0.000 0.641 201 V HN 0.478 nan 8.190 nan 0.000 0.445 202 E N -0.363 119.747 120.200 -0.151 0.000 2.118 202 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 202 E C 2.227 178.699 176.600 -0.214 0.000 0.992 202 E CA 1.191 57.502 56.400 -0.147 0.000 0.804 202 E CB -0.114 29.521 29.700 -0.108 0.000 0.741 202 E HN 0.531 nan 8.360 nan 0.000 0.458 203 Q N -0.923 118.665 119.800 -0.354 0.000 2.392 203 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 203 Q C 0.928 176.792 176.000 -0.226 0.000 0.917 203 Q CA 0.757 56.348 55.803 -0.352 0.000 0.939 203 Q CB 1.054 29.432 28.738 -0.600 0.000 1.063 203 Q HN 0.373 nan 8.270 nan 0.000 0.516 204 G N 1.599 110.283 108.800 -0.193 0.000 2.256 204 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.272 204 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.272 204 G C 0.379 175.197 174.900 -0.136 0.000 1.076 204 G CA 0.303 45.320 45.100 -0.138 0.000 0.882 204 G HN 0.317 nan 8.290 nan 0.000 0.497 205 V N -2.914 116.902 119.914 -0.162 0.000 3.139 205 V HA 0.385 4.505 4.120 -0.000 0.000 0.307 205 V C 1.130 177.147 176.094 -0.127 0.000 1.095 205 V CA 0.702 62.910 62.300 -0.153 0.000 1.160 205 V CB 1.007 32.718 31.823 -0.187 0.000 1.003 205 V HN 0.208 nan 8.190 nan 0.000 0.489 206 D N 2.291 122.617 120.400 -0.123 0.000 2.338 206 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 206 D C 0.640 176.888 176.300 -0.087 0.000 0.997 206 D CA 1.251 55.196 54.000 -0.092 0.000 0.880 206 D CB 0.543 41.297 40.800 -0.077 0.000 0.980 206 D HN 0.819 nan 8.370 nan 0.000 0.509 207 M N -0.483 119.037 119.600 -0.135 0.000 2.465 207 M HA 0.390 4.870 4.480 -0.000 0.000 0.284 207 M C -1.933 174.250 176.300 -0.194 0.000 1.212 207 M CA -0.853 54.376 55.300 -0.118 0.000 0.910 207 M CB 2.716 35.279 32.600 -0.061 0.000 1.725 207 M HN -0.409 nan 8.290 nan 0.000 0.477 208 I N 2.966 123.482 120.570 -0.090 0.000 2.336 208 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 208 I C -1.017 175.178 176.117 0.130 0.000 0.991 208 I CA -0.410 60.846 61.300 -0.074 0.000 1.227 208 I CB 0.962 38.936 38.000 -0.042 0.000 1.366 208 I HN 0.611 nan 8.210 nan 0.000 0.466 209 F N 4.902 124.828 119.950 -0.039 0.000 2.377 209 F HA 0.386 4.913 4.527 -0.000 0.000 0.360 209 F C 0.914 176.702 175.800 -0.021 0.000 1.147 209 F CA -1.362 56.623 58.000 -0.024 0.000 1.170 209 F CB 0.166 39.160 39.000 -0.011 0.000 1.339 209 F HN 0.449 nan 8.300 nan 0.000 0.552 210 A N 2.767 125.683 122.820 0.160 0.000 2.302 210 A HA 0.510 4.830 4.320 -0.000 0.000 0.295 210 A C 0.467 178.091 177.584 0.067 0.000 1.235 210 A CA -0.277 51.816 52.037 0.093 0.000 0.876 210 A CB 0.101 19.142 19.000 0.069 0.000 1.133 210 A HN 0.537 nan 8.150 nan 0.000 0.533 211 S N 1.270 117.025 115.700 0.092 0.000 2.584 211 S HA 0.494 4.964 4.470 -0.000 0.000 0.273 211 S C -0.219 174.486 174.600 0.175 0.000 1.311 211 S CA -0.161 58.073 58.200 0.058 0.000 1.034 211 S CB -0.225 63.064 63.200 0.149 0.000 0.939 211 S HN 0.711 nan 8.310 nan 0.000 0.513 212 F N 0.567 120.536 119.950 0.032 0.000 2.866 212 F HA -0.161 4.366 4.527 -0.000 0.000 0.254 212 F C 0.106 175.922 175.800 0.026 0.000 1.009 212 F CA -0.191 57.825 58.000 0.027 0.000 0.907 212 F CB -1.438 37.582 39.000 0.033 0.000 0.859 212 F HN 0.373 nan 8.300 nan 0.000 0.842 213 I N 2.058 122.693 120.570 0.108 0.000 2.436 213 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 213 I C 1.567 177.731 176.117 0.078 0.000 1.083 213 I CA 0.383 61.732 61.300 0.081 0.000 1.372 213 I CB 0.985 39.008 38.000 0.039 0.000 1.408 213 I HN 0.493 nan 8.210 nan 0.000 0.516 214 R N 4.055 124.606 120.500 0.084 0.000 2.250 214 R HA 0.209 4.549 4.340 -0.000 0.000 0.194 214 R C 0.270 176.601 176.300 0.052 0.000 0.927 214 R CA -0.047 56.099 56.100 0.076 0.000 1.052 214 R CB 0.333 30.686 30.300 0.089 0.000 1.055 214 R HN 0.585 nan 8.270 nan 0.000 0.537 215 S N -1.317 114.410 115.700 0.045 0.000 2.607 215 S HA 0.647 5.117 4.470 -0.000 0.000 0.273 215 S C 0.506 175.122 174.600 0.026 0.000 1.148 215 S CA -0.548 57.672 58.200 0.033 0.000 0.833 215 S CB 1.768 64.987 63.200 0.033 0.000 1.130 215 S HN 0.070 nan 8.310 nan 0.000 0.470 216 A N 0.653 123.485 122.820 0.019 0.000 1.933 216 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 216 A C 1.888 179.482 177.584 0.017 0.000 1.175 216 A CA 1.812 53.858 52.037 0.015 0.000 0.628 216 A CB -1.011 17.995 19.000 0.010 0.000 0.814 216 A HN 0.954 nan 8.150 nan 0.000 0.444 217 E N -0.613 119.598 120.200 0.019 0.000 2.153 217 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 217 E C 2.174 178.788 176.600 0.023 0.000 0.988 217 E CA 1.296 57.708 56.400 0.019 0.000 0.811 217 E CB -0.111 29.600 29.700 0.019 0.000 0.746 217 E HN 0.810 nan 8.360 nan 0.000 0.466 218 Q N 0.137 119.955 119.800 0.029 0.000 2.079 218 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 218 Q C 2.200 178.219 176.000 0.032 0.000 0.974 218 Q CA 1.502 57.325 55.803 0.035 0.000 0.840 218 Q CB 0.195 28.960 28.738 0.045 0.000 0.898 218 Q HN 0.194 nan 8.270 nan 0.000 0.430 219 V N 0.597 120.529 119.914 0.029 0.000 2.332 219 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 219 V C 2.346 178.452 176.094 0.021 0.000 1.055 219 V CA 1.928 64.243 62.300 0.025 0.000 1.038 219 V CB -1.341 30.494 31.823 0.020 0.000 0.651 219 V HN 0.619 nan 8.190 nan 0.000 0.450 220 G N -0.432 108.379 108.800 0.018 0.000 2.422 220 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 220 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 220 G C 1.239 176.149 174.900 0.016 0.000 1.146 220 G CA 0.998 46.107 45.100 0.015 0.000 0.769 220 G HN 0.504 nan 8.290 nan 0.000 0.547 221 D N 0.191 120.603 120.400 0.020 0.000 2.144 221 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 221 D C 2.793 179.106 176.300 0.021 0.000 0.978 221 D CA 0.618 54.630 54.000 0.021 0.000 0.833 221 D CB -0.299 40.516 40.800 0.026 0.000 0.961 221 D HN 0.213 nan 8.370 nan 0.000 0.470 222 V N 0.794 120.722 119.914 0.023 0.000 2.295 222 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 222 V C 2.540 178.641 176.094 0.012 0.000 1.049 222 V CA 1.622 63.934 62.300 0.019 0.000 1.024 222 V CB -0.427 31.410 31.823 0.023 0.000 0.648 222 V HN 0.093 nan 8.190 nan 0.000 0.447 223 R N 0.288 120.795 120.500 0.012 0.000 2.092 223 R HA -0.187 4.153 4.340 -0.000 0.000 0.231 223 R C 2.297 178.601 176.300 0.007 0.000 1.119 223 R CA 1.562 57.666 56.100 0.008 0.000 0.970 223 R CB -0.153 30.152 30.300 0.009 0.000 0.864 223 R HN 0.323 nan 8.270 nan 0.000 0.440 224 K N 0.147 120.553 120.400 0.010 0.000 2.217 224 K HA 0.051 4.371 4.320 -0.000 0.000 0.202 224 K C 1.558 178.164 176.600 0.011 0.000 1.051 224 K CA 1.351 57.644 56.287 0.010 0.000 0.952 224 K CB -0.077 32.430 32.500 0.012 0.000 0.736 224 K HN 0.269 nan 8.250 nan 0.000 0.453 225 A N 0.227 123.054 122.820 0.012 0.000 1.968 225 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 225 A C 2.011 179.599 177.584 0.007 0.000 1.169 225 A CA 0.986 53.031 52.037 0.013 0.000 0.638 225 A CB -0.454 18.556 19.000 0.017 0.000 0.812 225 A HN 0.284 nan 8.150 nan 0.000 0.446 226 L N -1.079 120.144 121.223 0.001 0.000 2.217 226 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 226 L C 1.567 178.433 176.870 -0.006 0.000 1.107 226 L CA 0.509 55.344 54.840 -0.008 0.000 0.783 226 L CB -1.010 41.039 42.059 -0.015 0.000 0.919 226 L HN 0.647 nan 8.230 nan 0.000 0.442 227 G N -0.235 108.565 108.800 -0.000 0.000 2.750 227 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.228 227 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.228 227 G C -2.065 172.835 174.900 -0.000 0.000 1.367 227 G CA -0.281 44.820 45.100 0.002 0.000 0.871 227 G HN 0.058 nan 8.290 nan 0.000 0.560 228 P HA 0.006 nan 4.420 nan 0.000 0.218 228 P C 1.862 179.161 177.300 -0.002 0.000 1.149 228 P CA 1.451 64.552 63.100 0.001 0.000 0.817 228 P CB 0.085 31.787 31.700 0.003 0.000 0.785 229 K N -0.607 119.790 120.400 -0.005 0.000 2.148 229 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 229 K C 1.634 178.224 176.600 -0.018 0.000 1.050 229 K CA 1.340 57.620 56.287 -0.011 0.000 0.942 229 K CB -0.749 31.743 32.500 -0.012 0.000 0.724 229 K HN 0.151 nan 8.250 nan 0.000 0.446 230 G N 1.329 110.118 108.800 -0.018 0.000 3.959 230 G HA2 0.013 3.973 3.960 -0.000 0.000 0.298 230 G HA3 0.013 3.973 3.960 -0.000 0.000 0.298 230 G C 1.007 175.897 174.900 -0.017 0.000 1.211 230 G CA -0.437 44.648 45.100 -0.025 0.000 1.001 230 G HN 0.285 nan 8.290 nan 0.000 0.561 231 R N -0.961 119.533 120.500 -0.010 0.000 2.193 231 R HA 0.093 4.433 4.340 -0.000 0.000 0.213 231 R C 0.506 176.805 176.300 -0.003 0.000 1.055 231 R CA 0.992 57.089 56.100 -0.004 0.000 0.995 231 R CB 0.070 30.370 30.300 0.000 0.000 0.893 231 R HN 0.027 nan 8.270 nan 0.000 0.459 232 D N 0.962 121.358 120.400 -0.006 0.000 2.349 232 D HA 0.165 4.805 4.640 -0.000 0.000 0.214 232 D C 0.274 176.567 176.300 -0.012 0.000 1.063 232 D CA 0.117 54.114 54.000 -0.004 0.000 0.847 232 D CB 0.327 41.126 40.800 -0.001 0.000 0.933 232 D HN 0.247 nan 8.370 nan 0.000 0.513 233 I N 1.823 122.381 120.570 -0.021 0.000 2.452 233 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 233 I C 0.835 176.943 176.117 -0.016 0.000 1.079 233 I CA -0.074 61.208 61.300 -0.031 0.000 1.387 233 I CB 0.553 38.523 38.000 -0.049 0.000 1.404 233 I HN -0.333 nan 8.210 nan 0.000 0.522 234 M N 7.154 126.748 119.600 -0.009 0.000 2.219 234 M HA 0.289 4.769 4.480 -0.000 0.000 0.353 234 M C -0.359 175.957 176.300 0.026 0.000 1.304 234 M CA 0.213 55.522 55.300 0.014 0.000 1.115 234 M CB 0.542 33.159 32.600 0.029 0.000 1.664 234 M HN 0.414 nan 8.290 nan 0.000 0.459 235 I N 4.710 125.300 120.570 0.034 0.000 2.307 235 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 235 I C -0.453 175.706 176.117 0.071 0.000 1.021 235 I CA -0.567 60.763 61.300 0.049 0.000 1.224 235 I CB 0.693 38.712 38.000 0.031 0.000 1.376 235 I HN 0.456 nan 8.210 nan 0.000 0.470 236 I N 6.004 126.651 120.570 0.129 0.000 2.304 236 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 236 I C 0.023 176.175 176.117 0.058 0.000 1.018 236 I CA -0.681 60.686 61.300 0.111 0.000 1.260 236 I CB 0.944 39.068 38.000 0.206 0.000 1.390 236 I HN 0.528 nan 8.210 nan 0.000 0.475 237 C N 6.811 126.114 119.300 0.005 0.000 2.303 237 C HA 0.266 4.726 4.460 -0.000 0.000 0.341 237 C C 0.877 175.833 174.990 -0.058 0.000 1.244 237 C CA -0.896 58.116 59.018 -0.010 0.000 1.765 237 C CB -0.552 27.186 27.740 -0.003 0.000 2.379 237 C HN 0.591 nan 8.230 nan 0.000 0.530 238 K N 4.008 124.365 120.400 -0.072 0.000 2.316 238 K HA 0.378 4.698 4.320 -0.000 0.000 0.289 238 K C -0.305 176.216 176.600 -0.131 0.000 1.070 238 K CA -0.048 56.158 56.287 -0.135 0.000 0.928 238 K CB 0.470 32.868 32.500 -0.171 0.000 1.039 238 K HN 0.513 nan 8.250 nan 0.000 0.480 239 I N 4.633 125.129 120.570 -0.124 0.000 2.291 239 I HA 0.045 4.215 4.170 -0.000 0.000 0.290 239 I C 0.746 176.787 176.117 -0.125 0.000 1.050 239 I CA 0.152 61.394 61.300 -0.096 0.000 1.245 239 I CB 0.381 38.339 38.000 -0.071 0.000 1.405 239 I HN 0.793 nan 8.210 nan 0.000 0.478 240 E N 4.308 124.423 120.200 -0.141 0.000 2.945 240 E HA 0.171 4.521 4.350 -0.000 0.000 0.196 240 E C -0.493 176.105 176.600 -0.003 0.000 0.965 240 E CA -0.469 55.833 56.400 -0.163 0.000 1.270 240 E CB 0.343 29.790 29.700 -0.422 0.000 1.045 240 E HN 0.637 nan 8.360 nan 0.000 0.474 241 N N -0.779 117.957 118.700 0.060 0.000 3.316 241 N HA 0.089 4.829 4.740 -0.000 0.000 0.300 241 N C 0.382 175.948 175.510 0.093 0.000 1.567 241 N CA -0.759 52.369 53.050 0.129 0.000 0.821 241 N CB 0.365 38.988 38.487 0.226 0.000 1.748 241 N HN -0.085 nan 8.380 nan 0.000 0.603 242 H N -0.297 118.793 119.070 0.033 0.000 2.299 242 H HA 0.026 4.582 4.556 -0.000 0.000 0.302 242 H C 1.015 176.354 175.328 0.018 0.000 1.078 242 H CA 2.163 58.221 56.048 0.016 0.000 1.323 242 H CB 0.255 30.023 29.762 0.010 0.000 1.381 242 H HN 0.619 nan 8.280 nan 0.000 0.498 243 Q N -0.428 119.485 119.800 0.188 0.000 2.112 243 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 243 Q C 2.499 178.526 176.000 0.045 0.000 0.987 243 Q CA 1.237 57.111 55.803 0.118 0.000 0.858 243 Q CB -0.320 28.482 28.738 0.106 0.000 0.905 243 Q HN 0.526 nan 8.270 nan 0.000 0.420 244 G N 0.318 109.142 108.800 0.039 0.000 2.440 244 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 244 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 244 G C 1.515 176.398 174.900 -0.029 0.000 1.154 244 G CA 1.044 46.150 45.100 0.010 0.000 0.767 244 G HN 0.229 nan 8.290 nan 0.000 0.552 245 V N 0.260 120.135 119.914 -0.065 0.000 2.358 245 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 245 V C 2.740 178.774 176.094 -0.099 0.000 1.047 245 V CA 2.223 64.465 62.300 -0.098 0.000 1.035 245 V CB -0.541 31.192 31.823 -0.150 0.000 0.658 245 V HN 0.450 nan 8.190 nan 0.000 0.452 246 Q N 0.245 119.975 119.800 -0.117 0.000 2.084 246 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 246 Q C 1.439 177.422 176.000 -0.029 0.000 0.978 246 Q CA 1.620 57.377 55.803 -0.075 0.000 0.844 246 Q CB -0.013 28.704 28.738 -0.035 0.000 0.898 246 Q HN 0.594 nan 8.270 nan 0.000 0.426 247 N N 0.385 119.077 118.700 -0.014 0.000 2.313 247 N HA -0.005 4.734 4.740 -0.000 0.000 0.207 247 N C 0.964 176.469 175.510 -0.009 0.000 1.141 247 N CA 0.048 53.096 53.050 -0.003 0.000 0.830 247 N CB 0.303 38.797 38.487 0.011 0.000 1.008 247 N HN 0.250 nan 8.380 nan 0.000 0.481 248 I N 1.411 121.969 120.570 -0.021 0.000 2.264 248 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 248 I C 1.429 177.536 176.117 -0.017 0.000 1.111 248 I CA 1.588 62.875 61.300 -0.022 0.000 1.382 248 I CB 0.003 37.984 38.000 -0.032 0.000 1.060 248 I HN 0.027 nan 8.210 nan 0.000 0.418 249 D N -0.154 120.237 120.400 -0.016 0.000 2.097 249 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 249 D C 2.424 178.718 176.300 -0.010 0.000 0.989 249 D CA 1.916 55.907 54.000 -0.014 0.000 0.827 249 D CB -0.363 40.429 40.800 -0.014 0.000 0.966 249 D HN 0.527 nan 8.370 nan 0.000 0.456 250 S N 0.036 115.731 115.700 -0.007 0.000 2.428 250 S HA -0.040 4.430 4.470 -0.000 0.000 0.230 250 S C 2.232 176.831 174.600 -0.001 0.000 1.014 250 S CA 0.295 58.492 58.200 -0.004 0.000 0.957 250 S CB -0.417 62.783 63.200 -0.000 0.000 0.784 250 S HN 0.218 nan 8.310 nan 0.000 0.499 251 I N 1.255 121.824 120.570 -0.002 0.000 2.233 251 I HA -0.041 4.129 4.170 -0.000 0.000 0.243 251 I C 2.386 178.501 176.117 -0.003 0.000 1.093 251 I CA 1.032 62.332 61.300 0.000 0.000 1.380 251 I CB -0.374 37.626 38.000 -0.001 0.000 1.067 251 I HN 0.238 nan 8.210 nan 0.000 0.413 252 I N 0.773 121.339 120.570 -0.007 0.000 2.194 252 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 252 I C 2.598 178.711 176.117 -0.005 0.000 1.093 252 I CA 1.447 62.742 61.300 -0.008 0.000 1.355 252 I CB -0.311 37.682 38.000 -0.012 0.000 1.046 252 I HN 0.251 nan 8.210 nan 0.000 0.413 253 E N 1.033 121.230 120.200 -0.006 0.000 2.085 253 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 253 E C 1.995 178.594 176.600 -0.002 0.000 0.994 253 E CA 1.530 57.926 56.400 -0.006 0.000 0.801 253 E CB 0.032 29.728 29.700 -0.008 0.000 0.743 253 E HN 0.362 nan 8.360 nan 0.000 0.453 254 E N 0.091 120.291 120.200 0.001 0.000 2.250 254 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 254 E C 0.874 177.478 176.600 0.007 0.000 0.986 254 E CA 0.622 57.025 56.400 0.005 0.000 0.849 254 E CB -0.113 29.591 29.700 0.007 0.000 0.797 254 E HN 0.276 nan 8.360 nan 0.000 0.482 255 S N 0.823 116.527 115.700 0.007 0.000 2.624 255 S HA 0.150 4.620 4.470 -0.000 0.000 0.263 255 S C 0.587 175.194 174.600 0.012 0.000 1.287 255 S CA -0.528 57.679 58.200 0.011 0.000 0.990 255 S CB 1.114 64.319 63.200 0.009 0.000 0.950 255 S HN -0.099 nan 8.310 nan 0.000 0.561 256 D N 0.325 120.737 120.400 0.019 0.000 2.349 256 D HA 0.336 4.976 4.640 -0.000 0.000 0.214 256 D C 0.766 177.079 176.300 0.022 0.000 1.063 256 D CA 0.594 54.607 54.000 0.021 0.000 0.847 256 D CB 0.467 41.283 40.800 0.027 0.000 0.933 256 D HN 0.795 nan 8.370 nan 0.000 0.513 257 G N 0.263 109.073 108.800 0.017 0.000 2.313 257 G HA2 0.323 4.283 3.960 -0.000 0.000 0.296 257 G HA3 0.323 4.283 3.960 -0.000 0.000 0.296 257 G C -1.974 172.919 174.900 -0.011 0.000 1.356 257 G CA -0.714 44.390 45.100 0.006 0.000 0.833 257 G HN -0.054 nan 8.290 nan 0.000 0.552 258 I N 0.451 121.000 120.570 -0.035 0.000 2.686 258 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 258 I C -0.312 175.740 176.117 -0.108 0.000 1.114 258 I CA -0.732 60.532 61.300 -0.060 0.000 1.038 258 I CB 2.004 39.976 38.000 -0.047 0.000 1.238 258 I HN 0.707 nan 8.210 nan 0.000 0.420 259 M N 5.358 124.870 119.600 -0.147 0.000 2.311 259 M HA 0.440 4.920 4.480 -0.000 0.000 0.325 259 M C -1.156 175.056 176.300 -0.147 0.000 1.061 259 M CA -0.750 54.433 55.300 -0.195 0.000 0.957 259 M CB 1.721 34.128 32.600 -0.322 0.000 1.646 259 M HN 0.281 nan 8.290 nan 0.000 0.434 260 V N 5.149 124.989 119.914 -0.123 0.000 2.287 260 V HA 0.196 4.316 4.120 -0.000 0.000 0.246 260 V C 0.728 176.754 176.094 -0.115 0.000 1.165 260 V CA -0.347 61.892 62.300 -0.101 0.000 1.088 260 V CB -0.475 31.305 31.823 -0.072 0.000 1.242 260 V HN 0.867 nan 8.190 nan 0.000 0.497 261 A N 5.299 128.035 122.820 -0.139 0.000 2.981 261 A HA 0.242 4.562 4.320 -0.000 0.000 0.280 261 A C 1.587 179.100 177.584 -0.118 0.000 1.743 261 A CA -0.234 51.713 52.037 -0.151 0.000 1.430 261 A CB -0.482 18.389 19.000 -0.214 0.000 1.085 261 A HN 0.801 nan 8.150 nan 0.000 0.597 262 R N 1.216 121.666 120.500 -0.083 0.000 2.193 262 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 262 R C 2.259 178.533 176.300 -0.043 0.000 1.110 262 R CA 1.119 57.185 56.100 -0.058 0.000 0.988 262 R CB -0.096 30.179 30.300 -0.043 0.000 0.871 262 R HN 0.699 nan 8.270 nan 0.000 0.458 263 G N 1.600 110.376 108.800 -0.039 0.000 2.511 263 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 263 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 263 G C 1.000 175.898 174.900 -0.004 0.000 1.218 263 G CA 1.052 46.145 45.100 -0.011 0.000 0.788 263 G HN 0.221 nan 8.290 nan 0.000 0.560 264 D N 0.055 120.441 120.400 -0.023 0.000 2.149 264 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 264 D C 2.533 178.834 176.300 0.002 0.000 0.972 264 D CA 0.167 54.178 54.000 0.019 0.000 0.835 264 D CB -0.071 40.732 40.800 0.005 0.000 0.966 264 D HN 0.192 nan 8.370 nan 0.000 0.476 265 L N 0.955 122.153 121.223 -0.043 0.000 2.042 265 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 265 L C 2.274 179.126 176.870 -0.030 0.000 1.076 265 L CA 1.601 56.419 54.840 -0.036 0.000 0.749 265 L CB -0.518 41.508 42.059 -0.056 0.000 0.893 265 L HN 0.057 nan 8.230 nan 0.000 0.432 266 G N -1.677 107.104 108.800 -0.032 0.000 2.559 266 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 266 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 266 G C 1.317 176.186 174.900 -0.052 0.000 1.126 266 G CA 0.846 45.926 45.100 -0.034 0.000 0.778 266 G HN 0.358 nan 8.290 nan 0.000 0.543 267 V N -0.348 119.527 119.914 -0.065 0.000 2.690 267 V HA 0.106 4.226 4.120 -0.000 0.000 0.240 267 V C 2.278 178.251 176.094 -0.201 0.000 1.078 267 V CA 1.211 63.417 62.300 -0.157 0.000 1.102 267 V CB -0.085 31.663 31.823 -0.125 0.000 0.800 267 V HN 0.265 nan 8.190 nan 0.000 0.479 268 E N -0.336 119.812 120.200 -0.087 0.000 2.268 268 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 268 E C 0.156 176.745 176.600 -0.019 0.000 0.995 268 E CA 0.623 56.996 56.400 -0.045 0.000 0.836 268 E CB 0.183 29.914 29.700 0.052 0.000 0.763 268 E HN 0.525 nan 8.360 nan 0.000 0.491 269 I N -0.107 120.449 120.570 -0.023 0.000 2.730 269 I HA 0.274 4.444 4.170 -0.000 0.000 0.298 269 I C -2.457 173.646 176.117 -0.024 0.000 1.089 269 I CA -2.932 58.370 61.300 0.003 0.000 1.041 269 I CB 2.129 40.135 38.000 0.010 0.000 1.235 269 I HN -0.227 nan 8.210 nan 0.000 0.423 270 P HA -0.035 nan 4.420 nan 0.000 0.261 270 P C 0.137 177.426 177.300 -0.018 0.000 1.165 270 P CA 0.300 63.391 63.100 -0.015 0.000 0.759 270 P CB 0.555 32.255 31.700 0.000 0.000 0.772 271 A N 5.219 128.027 122.820 -0.021 0.000 1.940 271 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 271 A C 1.928 179.503 177.584 -0.015 0.000 1.176 271 A CA 1.720 53.745 52.037 -0.020 0.000 0.631 271 A CB -0.855 18.135 19.000 -0.017 0.000 0.814 271 A HN 0.660 nan 8.150 nan 0.000 0.446 272 E N 0.358 120.551 120.200 -0.011 0.000 2.150 272 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 272 E C 1.153 177.747 176.600 -0.011 0.000 0.985 272 E CA 1.216 57.611 56.400 -0.009 0.000 0.814 272 E CB -0.425 29.271 29.700 -0.006 0.000 0.752 272 E HN 0.512 nan 8.360 nan 0.000 0.466 273 K N 1.004 121.396 120.400 -0.012 0.000 2.442 273 K HA 0.020 4.340 4.320 -0.000 0.000 0.198 273 K C 2.154 178.740 176.600 -0.023 0.000 1.042 273 K CA 0.566 56.843 56.287 -0.016 0.000 0.958 273 K CB 0.011 32.502 32.500 -0.015 0.000 0.766 273 K HN 0.091 nan 8.250 nan 0.000 0.474 274 V N 0.906 120.807 119.914 -0.022 0.000 2.453 274 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 274 V C 2.416 178.497 176.094 -0.023 0.000 1.048 274 V CA 1.087 63.372 62.300 -0.026 0.000 1.049 274 V CB -0.356 31.451 31.823 -0.026 0.000 0.672 274 V HN -0.029 nan 8.190 nan 0.000 0.457 275 V N 0.066 119.970 119.914 -0.016 0.000 2.282 275 V HA -0.271 3.849 4.120 -0.000 0.000 0.249 275 V C 2.418 178.505 176.094 -0.013 0.000 1.057 275 V CA 2.248 64.541 62.300 -0.011 0.000 1.032 275 V CB -0.619 31.200 31.823 -0.006 0.000 0.645 275 V HN 0.418 nan 8.190 nan 0.000 0.447 276 V N 0.187 120.091 119.914 -0.017 0.000 2.270 276 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 276 V C 2.731 178.809 176.094 -0.026 0.000 1.043 276 V CA 1.979 64.267 62.300 -0.021 0.000 1.014 276 V CB -1.280 30.530 31.823 -0.022 0.000 0.645 276 V HN 0.554 nan 8.190 nan 0.000 0.447 277 A N -0.661 122.140 122.820 -0.033 0.000 1.948 277 A HA -0.350 3.970 4.320 -0.000 0.000 0.220 277 A C 2.271 179.834 177.584 -0.035 0.000 1.177 277 A CA 2.371 54.384 52.037 -0.041 0.000 0.636 277 A CB -0.635 18.335 19.000 -0.050 0.000 0.815 277 A HN 0.641 nan 8.150 nan 0.000 0.449 278 Q N -0.181 119.602 119.800 -0.029 0.000 2.061 278 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 278 Q C 1.991 177.983 176.000 -0.014 0.000 0.984 278 Q CA 2.100 57.889 55.803 -0.023 0.000 0.846 278 Q CB -0.165 28.563 28.738 -0.016 0.000 0.902 278 Q HN 0.703 nan 8.270 nan 0.000 0.421 279 K N 0.003 120.396 120.400 -0.011 0.000 2.063 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 279 K C 2.091 178.683 176.600 -0.015 0.000 1.048 279 K CA 1.529 57.811 56.287 -0.009 0.000 0.928 279 K CB -0.131 32.361 32.500 -0.013 0.000 0.713 279 K HN 0.306 nan 8.250 nan 0.000 0.442 280 I N 1.124 121.681 120.570 -0.022 0.000 2.163 280 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 280 I C 2.207 178.310 176.117 -0.022 0.000 1.081 280 I CA 1.182 62.467 61.300 -0.025 0.000 1.353 280 I CB -0.336 37.645 38.000 -0.032 0.000 1.054 280 I HN 0.091 nan 8.210 nan 0.000 0.407 281 L N 0.413 121.621 121.223 -0.025 0.000 2.042 281 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 281 L C 2.568 179.429 176.870 -0.014 0.000 1.076 281 L CA 1.592 56.417 54.840 -0.026 0.000 0.749 281 L CB -0.614 41.423 42.059 -0.036 0.000 0.893 281 L HN 0.245 nan 8.230 nan 0.000 0.432 282 I N -0.632 119.935 120.570 -0.004 0.000 2.202 282 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 282 I C 2.624 178.761 176.117 0.033 0.000 1.091 282 I CA 1.179 62.489 61.300 0.017 0.000 1.368 282 I CB -0.168 37.851 38.000 0.033 0.000 1.058 282 I HN 0.155 nan 8.210 nan 0.000 0.410 283 S N 0.346 116.059 115.700 0.022 0.000 2.402 283 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 283 S C 1.920 176.526 174.600 0.011 0.000 1.021 283 S CA 1.061 59.273 58.200 0.020 0.000 0.974 283 S CB -0.108 63.085 63.200 -0.012 0.000 0.800 283 S HN 0.346 nan 8.310 nan 0.000 0.484 284 K N 0.242 120.641 120.400 -0.002 0.000 2.148 284 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 284 K C 2.153 178.750 176.600 -0.005 0.000 1.050 284 K CA 1.031 57.314 56.287 -0.007 0.000 0.942 284 K CB -0.246 32.245 32.500 -0.014 0.000 0.724 284 K HN 0.339 nan 8.250 nan 0.000 0.446 285 C N 0.847 120.146 119.300 -0.001 0.000 2.457 285 C HA -0.014 4.446 4.460 -0.000 0.000 0.278 285 C C 2.139 177.129 174.990 -0.000 0.000 1.309 285 C CA 0.532 59.547 59.018 -0.004 0.000 1.735 285 C CB -1.131 26.605 27.740 -0.006 0.000 1.992 285 C HN 0.534 nan 8.230 nan 0.000 0.493 286 N N 0.704 119.419 118.700 0.026 0.000 2.120 286 N HA -0.135 4.604 4.740 -0.000 0.000 0.188 286 N C 1.536 177.043 175.510 -0.005 0.000 1.024 286 N CA 1.342 54.417 53.050 0.042 0.000 0.852 286 N CB -0.109 38.479 38.487 0.168 0.000 1.003 286 N HN 0.288 nan 8.380 nan 0.000 0.424 287 V N 1.076 120.989 119.914 -0.001 0.000 2.427 287 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 287 V C 2.225 178.298 176.094 -0.035 0.000 1.051 287 V CA 1.749 64.036 62.300 -0.022 0.000 1.048 287 V CB -0.718 31.099 31.823 -0.009 0.000 0.666 287 V HN 0.353 nan 8.190 nan 0.000 0.456 288 A N -0.364 122.441 122.820 -0.026 0.000 2.066 288 A HA 0.295 4.615 4.320 -0.000 0.000 0.218 288 A C 1.998 179.560 177.584 -0.036 0.000 1.157 288 A CA 1.164 53.187 52.037 -0.024 0.000 0.670 288 A CB -0.615 18.376 19.000 -0.016 0.000 0.804 288 A HN 1.314 nan 8.150 nan 0.000 0.453 289 G N -0.558 108.210 108.800 -0.053 0.000 2.225 289 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.264 289 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.264 289 G C -0.098 174.781 174.900 -0.035 0.000 1.060 289 G CA 0.523 45.582 45.100 -0.067 0.000 0.833 289 G HN 0.599 nan 8.290 nan 0.000 0.498 290 K N 0.237 120.623 120.400 -0.023 0.000 2.259 290 K HA 0.489 4.809 4.320 -0.000 0.000 0.252 290 K C -2.646 173.947 176.600 -0.010 0.000 0.936 290 K CA -2.232 54.048 56.287 -0.011 0.000 0.810 290 K CB 2.256 34.752 32.500 -0.006 0.000 1.143 290 K HN -0.058 nan 8.250 nan 0.000 0.427 291 P HA -0.056 nan 4.420 nan 0.000 0.264 291 P C -0.989 176.304 177.300 -0.011 0.000 1.183 291 P CA -0.189 62.910 63.100 -0.002 0.000 0.763 291 P CB 0.579 32.288 31.700 0.016 0.000 0.807 292 V N 5.417 125.320 119.914 -0.018 0.000 2.638 292 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 292 V C -0.804 175.263 176.094 -0.045 0.000 1.052 292 V CA -0.844 61.436 62.300 -0.034 0.000 0.885 292 V CB 1.351 33.161 31.823 -0.022 0.000 0.999 292 V HN 0.279 nan 8.190 nan 0.000 0.424 293 I N 6.349 126.869 120.570 -0.083 0.000 2.377 293 I HA 0.467 4.637 4.170 -0.000 0.000 0.293 293 I C -0.049 176.011 176.117 -0.095 0.000 0.987 293 I CA -0.350 60.890 61.300 -0.101 0.000 1.185 293 I CB 1.585 39.472 38.000 -0.187 0.000 1.341 293 I HN 0.629 nan 8.210 nan 0.000 0.455 294 C N 6.093 125.352 119.300 -0.068 0.000 2.330 294 C HA 0.889 5.349 4.460 -0.000 0.000 0.344 294 C C 0.369 175.320 174.990 -0.065 0.000 1.273 294 C CA -0.052 58.931 59.018 -0.060 0.000 1.879 294 C CB -0.316 27.402 27.740 -0.035 0.000 2.376 294 C HN 0.903 nan 8.230 nan 0.000 0.534 295 A N 4.126 126.904 122.820 -0.069 0.000 2.527 295 A HA 0.924 5.244 4.320 -0.000 0.000 0.293 295 A C -0.149 177.410 177.584 -0.043 0.000 1.117 295 A CA -0.083 51.916 52.037 -0.064 0.000 0.723 295 A CB 0.925 19.866 19.000 -0.099 0.000 1.313 295 A HN 1.572 nan 8.150 nan 0.000 0.411 296 T N 1.001 115.539 114.554 -0.027 0.000 0.567 296 T HA -0.103 4.247 4.350 -0.000 0.000 0.771 296 T C 0.055 174.749 174.700 -0.011 0.000 0.992 296 T CA 0.858 62.949 62.100 -0.014 0.000 4.062 296 T CB -1.383 67.475 68.868 -0.017 0.000 2.294 296 T HN 1.568 nan 8.240 nan 0.000 0.396 297 Q N 0.118 119.915 119.800 -0.005 0.000 2.481 297 Q HA -0.256 4.084 4.340 -0.000 0.000 0.272 297 Q C 1.404 177.398 176.000 -0.011 0.000 1.157 297 Q CA 1.345 57.145 55.803 -0.006 0.000 0.935 297 Q CB -0.992 27.747 28.738 0.002 0.000 1.338 297 Q HN 0.817 nan 8.270 nan 0.000 0.494 298 M N -0.710 118.881 119.600 -0.015 0.000 2.236 298 M HA -0.040 4.440 4.480 -0.000 0.000 0.266 298 M C 0.979 177.267 176.300 -0.021 0.000 1.070 298 M CA 1.339 56.630 55.300 -0.015 0.000 1.137 298 M CB 0.301 32.892 32.600 -0.014 0.000 1.378 298 M HN 0.259 nan 8.290 nan 0.000 0.426 299 L N -0.335 120.871 121.223 -0.029 0.000 3.059 299 L HA 0.168 4.508 4.340 -0.000 0.000 0.298 299 L C 1.073 177.905 176.870 -0.064 0.000 1.304 299 L CA -0.380 54.431 54.840 -0.049 0.000 0.855 299 L CB 0.507 42.536 42.059 -0.050 0.000 1.266 299 L HN -0.006 nan 8.230 nan 0.000 0.572 300 E N 1.384 121.556 120.200 -0.047 0.000 2.070 300 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 300 E C 2.142 178.685 176.600 -0.096 0.000 1.004 300 E CA 2.283 58.651 56.400 -0.053 0.000 0.805 300 E CB 0.147 29.846 29.700 -0.002 0.000 0.744 300 E HN 0.526 nan 8.360 nan 0.000 0.451 301 S N -0.715 114.964 115.700 -0.034 0.000 2.447 301 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 301 S C 1.878 176.439 174.600 -0.065 0.000 1.006 301 S CA 0.943 59.161 58.200 0.031 0.000 0.957 301 S CB -0.263 62.973 63.200 0.061 0.000 0.773 301 S HN 0.272 nan 8.310 nan 0.000 0.507 302 M N 1.669 121.193 119.600 -0.127 0.000 2.659 302 M HA 0.017 4.497 4.480 -0.000 0.000 0.243 302 M C 1.348 177.575 176.300 -0.122 0.000 1.111 302 M CA 0.644 55.871 55.300 -0.121 0.000 1.070 302 M CB -0.740 31.780 32.600 -0.134 0.000 1.525 302 M HN 0.417 nan 8.290 nan 0.000 0.517 303 T N -0.338 114.005 114.554 -0.352 0.000 2.867 303 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 303 T C 0.928 175.377 174.700 -0.417 0.000 1.057 303 T CA 1.378 63.176 62.100 -0.503 0.000 1.136 303 T CB -0.162 68.181 68.868 -0.874 0.000 0.874 303 T HN 0.530 nan 8.240 nan 0.000 0.466 304 Y N -0.147 120.222 120.300 0.116 0.000 2.452 304 Y HA 0.442 4.992 4.550 -0.000 0.000 0.262 304 Y C 0.563 176.604 175.900 0.235 0.000 1.089 304 Y CA -1.156 57.027 58.100 0.138 0.000 1.262 304 Y CB -0.068 38.434 38.460 0.071 0.000 1.236 304 Y HN 0.025 nan 8.280 nan 0.000 0.512 305 N N 2.893 121.745 118.700 0.254 0.000 2.361 305 N HA 0.231 4.971 4.740 -0.000 0.000 0.302 305 N C -2.232 173.103 175.510 -0.292 0.000 1.074 305 N CA -1.990 51.099 53.050 0.065 0.000 0.850 305 N CB 1.661 40.164 38.487 0.027 0.000 1.228 305 N HN -0.191 nan 8.380 nan 0.000 0.491 306 P HA -0.045 nan 4.420 nan 0.000 0.233 306 P C -0.485 176.536 177.300 -0.466 0.000 1.167 306 P CA 0.988 63.512 63.100 -0.961 0.000 0.770 306 P CB 0.599 31.827 31.700 -0.787 0.000 0.837 307 R N 0.067 120.350 120.500 -0.362 0.000 2.673 307 R HA 0.466 4.806 4.340 -0.000 0.000 0.281 307 R C -2.612 173.469 176.300 -0.366 0.000 0.991 307 R CA -2.145 53.705 56.100 -0.416 0.000 0.896 307 R CB 2.194 32.349 30.300 -0.242 0.000 1.201 307 R HN -0.035 nan 8.270 nan 0.000 0.457 308 P HA 0.085 nan 4.420 nan 0.000 0.278 308 P C -0.409 176.788 177.300 -0.171 0.000 1.266 308 P CA -0.409 62.515 63.100 -0.293 0.000 0.807 308 P CB 0.768 32.267 31.700 -0.335 0.000 1.094 309 T N -1.225 113.271 114.554 -0.097 0.000 2.788 309 T HA 0.218 4.568 4.350 -0.000 0.000 0.280 309 T C 1.476 176.152 174.700 -0.039 0.000 0.984 309 T CA -0.630 61.439 62.100 -0.053 0.000 0.972 309 T CB 0.456 69.308 68.868 -0.027 0.000 1.039 309 T HN 0.186 nan 8.240 nan 0.000 0.530 310 R N 0.620 121.110 120.500 -0.018 0.000 2.115 310 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 310 R C 2.603 178.904 176.300 0.003 0.000 1.111 310 R CA 1.380 57.478 56.100 -0.003 0.000 0.976 310 R CB -1.699 28.603 30.300 0.003 0.000 0.870 310 R HN 0.842 nan 8.270 nan 0.000 0.445 311 A N 1.230 124.049 122.820 -0.002 0.000 1.969 311 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 311 A C 1.981 179.565 177.584 0.001 0.000 1.169 311 A CA 1.184 53.223 52.037 0.003 0.000 0.635 311 A CB -0.177 18.824 19.000 0.001 0.000 0.810 311 A HN 0.340 nan 8.150 nan 0.000 0.445 312 E N -0.464 119.730 120.200 -0.011 0.000 2.051 312 E HA -0.067 4.283 4.350 -0.000 0.000 0.189 312 E C 1.967 178.562 176.600 -0.008 0.000 0.979 312 E CA 0.964 57.354 56.400 -0.017 0.000 0.803 312 E CB -0.236 29.441 29.700 -0.039 0.000 0.761 312 E HN 0.324 nan 8.360 nan 0.000 0.451 313 V N 1.211 121.123 119.914 -0.003 0.000 2.282 313 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 313 V C 2.467 178.576 176.094 0.024 0.000 1.057 313 V CA 2.141 64.456 62.300 0.025 0.000 1.032 313 V CB -0.611 31.238 31.823 0.044 0.000 0.645 313 V HN 0.299 nan 8.190 nan 0.000 0.447 314 S N -0.502 115.215 115.700 0.028 0.000 2.368 314 S HA -0.275 4.195 4.470 -0.000 0.000 0.225 314 S C 1.859 176.481 174.600 0.038 0.000 1.030 314 S CA 2.112 60.339 58.200 0.045 0.000 0.999 314 S CB -0.478 62.748 63.200 0.044 0.000 0.844 314 S HN 0.739 nan 8.310 nan 0.000 0.459 315 D N 0.277 120.689 120.400 0.019 0.000 2.092 315 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 315 D C 1.904 178.203 176.300 -0.002 0.000 0.994 315 D CA 1.643 55.650 54.000 0.012 0.000 0.828 315 D CB -0.333 40.468 40.800 0.002 0.000 0.963 315 D HN 0.307 nan 8.370 nan 0.000 0.450 316 V N 0.648 120.554 119.914 -0.013 0.000 2.343 316 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 316 V C 2.524 178.567 176.094 -0.084 0.000 1.051 316 V CA 1.777 64.057 62.300 -0.035 0.000 1.036 316 V CB -0.940 30.871 31.823 -0.020 0.000 0.654 316 V HN 0.344 nan 8.190 nan 0.000 0.451 317 A N 0.367 123.132 122.820 -0.092 0.000 1.873 317 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 317 A C 2.086 179.487 177.584 -0.305 0.000 1.186 317 A CA 1.843 53.739 52.037 -0.235 0.000 0.616 317 A CB -0.651 18.286 19.000 -0.105 0.000 0.823 317 A HN 0.570 nan 8.150 nan 0.000 0.442 318 N N 0.363 119.079 118.700 0.027 0.000 2.309 318 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 318 N C 1.816 177.389 175.510 0.105 0.000 1.018 318 N CA 1.236 54.414 53.050 0.214 0.000 0.876 318 N CB -0.366 38.237 38.487 0.194 0.000 0.972 318 N HN 0.491 nan 8.380 nan 0.000 0.434 319 A N 0.704 123.529 122.820 0.010 0.000 1.930 319 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 319 A C 2.482 180.062 177.584 -0.007 0.000 1.175 319 A CA 1.003 53.043 52.037 0.005 0.000 0.627 319 A CB -0.540 18.450 19.000 -0.017 0.000 0.815 319 A HN 0.092 nan 8.150 nan 0.000 0.443 320 V N -1.087 118.765 119.914 -0.104 0.000 2.358 320 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 320 V C 2.282 178.375 176.094 -0.001 0.000 1.047 320 V CA 1.823 64.045 62.300 -0.131 0.000 1.035 320 V CB -1.012 30.631 31.823 -0.300 0.000 0.658 320 V HN 0.532 nan 8.190 nan 0.000 0.452 321 F N 0.963 120.962 119.950 0.081 0.000 2.171 321 F HA -0.110 4.417 4.527 0.000 0.000 0.300 321 F C 2.230 178.089 175.800 0.098 0.000 1.090 321 F CA 1.170 59.227 58.000 0.095 0.000 1.293 321 F CB -1.269 37.763 39.000 0.054 0.000 1.013 321 F HN 0.243 nan 8.300 nan 0.000 0.486 322 N N -0.777 118.071 118.700 0.247 0.000 2.166 322 N HA -0.048 4.692 4.740 -0.000 0.000 0.186 322 N C 1.381 177.006 175.510 0.192 0.000 1.019 322 N CA 1.012 54.153 53.050 0.152 0.000 0.856 322 N CB -0.209 38.336 38.487 0.096 0.000 0.993 322 N HN 0.383 nan 8.380 nan 0.000 0.426 323 G N -0.355 108.606 108.800 0.268 0.000 2.148 323 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.120 323 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.120 323 G C -0.175 174.822 174.900 0.161 0.000 1.034 323 G CA -0.123 45.213 45.100 0.393 0.000 0.710 323 G HN 0.463 nan 8.290 nan 0.000 0.495 324 A N 0.012 122.883 122.820 0.086 0.000 2.440 324 A HA 0.594 4.914 4.320 -0.000 0.000 0.251 324 A C 1.045 178.628 177.584 -0.001 0.000 1.089 324 A CA 0.967 53.020 52.037 0.027 0.000 0.779 324 A CB 0.343 19.347 19.000 0.007 0.000 1.022 324 A HN 0.217 nan 8.150 nan 0.000 0.492 325 D N 0.422 120.815 120.400 -0.011 0.000 2.091 325 D HA 0.009 4.649 4.640 -0.000 0.000 0.199 325 D C 0.122 176.414 176.300 -0.013 0.000 0.980 325 D CA 1.453 55.442 54.000 -0.018 0.000 0.831 325 D CB 0.038 40.831 40.800 -0.012 0.000 0.987 325 D HN 0.539 nan 8.370 nan 0.000 0.460 326 C N 0.144 119.436 119.300 -0.013 0.000 2.561 326 C HA 0.706 5.166 4.460 -0.000 0.000 0.319 326 C C -0.233 174.744 174.990 -0.021 0.000 1.198 326 C CA -1.085 57.927 59.018 -0.009 0.000 1.665 326 C CB 1.425 29.166 27.740 0.000 0.000 2.258 326 C HN 0.130 nan 8.230 nan 0.000 0.493 327 V N 1.178 121.085 119.914 -0.013 0.000 2.715 327 V HA 0.770 4.890 4.120 -0.000 0.000 0.310 327 V C -0.609 175.483 176.094 -0.002 0.000 1.054 327 V CA -0.625 61.665 62.300 -0.016 0.000 0.928 327 V CB 1.728 33.540 31.823 -0.018 0.000 1.007 327 V HN 0.972 nan 8.190 nan 0.000 0.437 328 M N 3.570 123.166 119.600 -0.007 0.000 2.518 328 M HA 0.703 5.183 4.480 -0.000 0.000 0.300 328 M C -2.174 174.135 176.300 0.015 0.000 1.175 328 M CA -0.734 54.573 55.300 0.011 0.000 0.890 328 M CB 2.376 34.972 32.600 -0.007 0.000 1.710 328 M HN 0.750 nan 8.290 nan 0.000 0.453 329 L N 2.169 123.412 121.223 0.033 0.000 2.341 329 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 329 L C -0.035 176.860 176.870 0.042 0.000 1.005 329 L CA -0.261 54.596 54.840 0.028 0.000 0.818 329 L CB 2.159 44.236 42.059 0.029 0.000 1.259 329 L HN 0.790 nan 8.230 nan 0.000 0.418 330 S N 1.184 116.902 115.700 0.029 0.000 2.967 330 S HA 0.137 4.607 4.470 -0.000 0.000 0.167 330 S C 1.601 176.217 174.600 0.026 0.000 0.696 330 S CA 0.456 58.681 58.200 0.042 0.000 0.874 330 S CB -0.167 63.058 63.200 0.041 0.000 0.718 330 S HN 0.880 nan 8.310 nan 0.000 0.634 331 G N 1.129 109.931 108.800 0.003 0.000 2.470 331 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.220 331 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.220 331 G C 1.023 175.896 174.900 -0.045 0.000 1.121 331 G CA 0.867 45.953 45.100 -0.022 0.000 0.766 331 G HN 0.497 nan 8.290 nan 0.000 0.553 332 E N 0.222 120.393 120.200 -0.048 0.000 2.118 332 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 332 E C 2.761 179.353 176.600 -0.014 0.000 0.992 332 E CA 1.848 58.216 56.400 -0.054 0.000 0.804 332 E CB -0.221 29.455 29.700 -0.040 0.000 0.741 332 E HN 0.597 nan 8.360 nan 0.000 0.458 333 T N -2.825 111.735 114.554 0.010 0.000 3.023 333 T HA 0.368 4.718 4.350 -0.000 0.000 0.249 333 T C 1.956 176.676 174.700 0.033 0.000 1.050 333 T CA 0.264 62.381 62.100 0.029 0.000 1.088 333 T CB 0.123 69.018 68.868 0.046 0.000 0.946 333 T HN 0.131 nan 8.240 nan 0.000 0.480 334 A N 3.412 126.250 122.820 0.030 0.000 1.841 334 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 334 A C 2.088 179.682 177.584 0.016 0.000 1.195 334 A CA 1.578 53.637 52.037 0.036 0.000 0.611 334 A CB -0.358 18.658 19.000 0.026 0.000 0.835 334 A HN 0.720 nan 8.150 nan 0.000 0.443 335 K N -1.104 119.291 120.400 -0.008 0.000 2.564 335 K HA 0.350 4.670 4.320 -0.000 0.000 0.201 335 K C 0.515 177.100 176.600 -0.024 0.000 1.086 335 K CA 0.160 56.439 56.287 -0.013 0.000 1.062 335 K CB 0.106 32.596 32.500 -0.018 0.000 0.849 335 K HN 0.276 nan 8.250 nan 0.000 0.529 336 G N 1.329 110.107 108.800 -0.038 0.000 2.606 336 G HA2 0.098 4.058 3.960 -0.000 0.000 0.252 336 G HA3 0.098 4.058 3.960 -0.000 0.000 0.252 336 G C -0.045 174.820 174.900 -0.058 0.000 1.206 336 G CA -0.621 44.443 45.100 -0.060 0.000 0.861 336 G HN 0.193 nan 8.290 nan 0.000 0.561 337 K N -0.664 119.686 120.400 -0.084 0.000 2.400 337 K HA 0.087 4.407 4.320 -0.000 0.000 0.194 337 K C -0.469 175.868 176.600 -0.440 0.000 1.033 337 K CA 0.637 56.775 56.287 -0.248 0.000 1.021 337 K CB 0.308 32.627 32.500 -0.302 0.000 0.808 337 K HN 0.515 nan 8.250 nan 0.000 0.505 338 Y N -0.380 119.913 120.300 -0.013 0.000 2.470 338 Y HA 0.212 4.762 4.550 0.000 0.000 0.352 338 Y C -2.235 173.665 175.900 0.000 0.000 0.967 338 Y CA -2.254 55.846 58.100 -0.001 0.000 1.121 338 Y CB 1.037 39.496 38.460 -0.001 0.000 1.149 338 Y HN -0.003 nan 8.280 nan 0.000 0.641 339 P HA -0.136 nan 4.420 nan 0.000 0.215 339 P C 1.187 178.539 177.300 0.086 0.000 1.157 339 P CA 1.579 64.722 63.100 0.071 0.000 0.868 339 P CB 0.521 32.246 31.700 0.041 0.000 0.788 340 N N -0.366 118.391 118.700 0.095 0.000 2.106 340 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 340 N C 1.644 177.219 175.510 0.108 0.000 1.029 340 N CA 1.233 54.337 53.050 0.090 0.000 0.848 340 N CB -0.716 37.821 38.487 0.082 0.000 1.007 340 N HN 0.170 nan 8.380 nan 0.000 0.423 341 E N 0.695 120.984 120.200 0.149 0.000 2.077 341 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 341 E C 1.964 178.661 176.600 0.163 0.000 0.989 341 E CA 0.368 56.860 56.400 0.155 0.000 0.800 341 E CB -0.474 29.306 29.700 0.133 0.000 0.746 341 E HN 0.048 nan 8.360 nan 0.000 0.452 342 V N -0.084 119.903 119.914 0.122 0.000 2.515 342 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 342 V C 1.864 178.017 176.094 0.097 0.000 1.058 342 V CA 1.273 63.626 62.300 0.087 0.000 1.064 342 V CB 0.017 31.865 31.823 0.042 0.000 0.675 342 V HN 0.140 nan 8.190 nan 0.000 0.461 343 V N -0.526 119.440 119.914 0.086 0.000 2.591 343 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 343 V C 2.345 178.479 176.094 0.068 0.000 1.053 343 V CA 1.968 64.309 62.300 0.069 0.000 1.068 343 V CB -0.659 31.198 31.823 0.057 0.000 0.689 343 V HN 0.560 nan 8.190 nan 0.000 0.462 344 Q N -1.106 118.741 119.800 0.077 0.000 2.046 344 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 344 Q C 2.216 178.225 176.000 0.016 0.000 0.975 344 Q CA 2.057 57.883 55.803 0.038 0.000 0.836 344 Q CB -0.259 28.498 28.738 0.032 0.000 0.896 344 Q HN 0.675 nan 8.270 nan 0.000 0.428 345 Y N 0.468 120.761 120.300 -0.012 0.000 2.145 345 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 345 Y C 2.434 178.319 175.900 -0.024 0.000 1.145 345 Y CA 1.834 59.921 58.100 -0.022 0.000 1.148 345 Y CB -0.147 38.295 38.460 -0.030 0.000 0.981 345 Y HN 0.140 nan 8.280 nan 0.000 0.507 346 M N -0.566 119.123 119.600 0.148 0.000 2.106 346 M HA -0.274 4.206 4.480 -0.000 0.000 0.259 346 M C 2.242 178.555 176.300 0.022 0.000 1.068 346 M CA 2.142 57.483 55.300 0.069 0.000 1.100 346 M CB -0.207 32.422 32.600 0.049 0.000 1.351 346 M HN 0.273 nan 8.290 nan 0.000 0.404 347 A N 0.176 123.004 122.820 0.012 0.000 1.877 347 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 347 A C 2.188 179.746 177.584 -0.043 0.000 1.186 347 A CA 1.944 53.972 52.037 -0.014 0.000 0.620 347 A CB -0.799 18.197 19.000 -0.006 0.000 0.822 347 A HN 0.610 nan 8.150 nan 0.000 0.443 348 R N -0.457 120.003 120.500 -0.067 0.000 2.091 348 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 348 R C 1.955 178.206 176.300 -0.081 0.000 1.136 348 R CA 1.813 57.849 56.100 -0.106 0.000 0.959 348 R CB -0.391 29.780 30.300 -0.217 0.000 0.856 348 R HN 0.595 nan 8.270 nan 0.000 0.437 349 I N -0.335 120.208 120.570 -0.045 0.000 2.252 349 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 349 I C 2.432 178.499 176.117 -0.083 0.000 1.102 349 I CA 0.793 62.072 61.300 -0.034 0.000 1.385 349 I CB -0.246 37.764 38.000 0.017 0.000 1.064 349 I HN 0.295 nan 8.210 nan 0.000 0.414 350 C N 0.448 119.699 119.300 -0.081 0.000 2.429 350 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 350 C C 2.752 177.666 174.990 -0.127 0.000 1.262 350 C CA 0.643 59.593 59.018 -0.114 0.000 1.733 350 C CB -0.893 26.798 27.740 -0.082 0.000 2.010 350 C HN 0.479 nan 8.230 nan 0.000 0.483 351 L N 0.587 121.748 121.223 -0.102 0.000 2.056 351 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 351 L C 2.705 179.521 176.870 -0.091 0.000 1.078 351 L CA 1.745 56.522 54.840 -0.106 0.000 0.749 351 L CB -0.518 41.491 42.059 -0.082 0.000 0.901 351 L HN 0.333 nan 8.230 nan 0.000 0.433 352 E N 0.211 120.365 120.200 -0.077 0.000 2.072 352 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 352 E C 2.024 178.600 176.600 -0.041 0.000 0.985 352 E CA 1.546 57.916 56.400 -0.049 0.000 0.801 352 E CB -0.097 29.578 29.700 -0.041 0.000 0.750 352 E HN 0.420 nan 8.360 nan 0.000 0.452 353 A N 0.553 123.297 122.820 -0.127 0.000 1.933 353 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 353 A C 2.224 179.728 177.584 -0.134 0.000 1.175 353 A CA 1.808 53.674 52.037 -0.285 0.000 0.628 353 A CB -0.724 17.906 19.000 -0.616 0.000 0.814 353 A HN 0.436 nan 8.150 nan 0.000 0.444 354 Q N -0.292 119.443 119.800 -0.108 0.000 2.181 354 Q HA -0.156 4.184 4.340 -0.000 0.000 0.205 354 Q C 2.170 178.194 176.000 0.040 0.000 0.980 354 Q CA 1.671 57.444 55.803 -0.049 0.000 0.862 354 Q CB -0.154 28.496 28.738 -0.147 0.000 0.905 354 Q HN 0.608 nan 8.270 nan 0.000 0.429 355 S N -0.082 115.642 115.700 0.040 0.000 2.370 355 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 355 S C 1.808 176.500 174.600 0.153 0.000 1.033 355 S CA 1.125 59.371 58.200 0.077 0.000 1.011 355 S CB -0.208 63.020 63.200 0.047 0.000 0.852 355 S HN 0.581 nan 8.310 nan 0.000 0.457 356 A N 0.745 123.704 122.820 0.231 0.000 1.898 356 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 356 A C 0.920 178.746 177.584 0.404 0.000 1.183 356 A CA 0.140 52.356 52.037 0.298 0.000 0.622 356 A CB -0.538 18.668 19.000 0.344 0.000 0.824 356 A HN 0.408 nan 8.150 nan 0.000 0.444 357 L N 1.417 122.927 121.223 0.478 0.000 2.706 357 L HA -0.065 4.275 4.340 -0.000 0.000 0.282 357 L C 0.130 177.191 176.870 0.318 0.000 1.219 357 L CA 0.303 55.406 54.840 0.438 0.000 0.935 357 L CB -0.376 41.903 42.059 0.367 0.000 1.204 357 L HN 0.345 nan 8.230 nan 0.000 0.491 358 N N 3.705 122.538 118.700 0.221 0.000 2.807 358 N HA 0.033 4.773 4.740 -0.000 0.000 0.259 358 N C 0.743 176.391 175.510 0.231 0.000 1.149 358 N CA 0.024 53.120 53.050 0.077 0.000 1.042 358 N CB 0.408 38.688 38.487 -0.345 0.000 1.367 358 N HN 0.710 nan 8.380 nan 0.000 0.516 359 E N 0.994 121.382 120.200 0.313 0.000 2.085 359 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 359 E C 0.908 177.747 176.600 0.398 0.000 0.994 359 E CA 1.294 57.927 56.400 0.388 0.000 0.801 359 E CB -0.157 29.774 29.700 0.385 0.000 0.743 359 E HN 0.601 nan 8.360 nan 0.000 0.453 360 Y N 0.519 120.894 120.300 0.125 0.000 2.128 360 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 360 Y C 2.092 177.998 175.900 0.009 0.000 1.154 360 Y CA 1.229 59.217 58.100 -0.186 0.000 1.149 360 Y CB -0.428 37.855 38.460 -0.294 0.000 0.976 360 Y HN -0.122 nan 8.280 nan 0.000 0.505 361 V N -0.284 119.623 119.914 -0.011 0.000 2.343 361 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 361 V C 2.241 178.307 176.094 -0.047 0.000 1.051 361 V CA 2.087 64.322 62.300 -0.108 0.000 1.036 361 V CB -0.933 30.831 31.823 -0.099 0.000 0.654 361 V HN 0.475 nan 8.190 nan 0.000 0.451 362 F N -0.271 119.664 119.950 -0.026 0.000 2.065 362 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 362 F C 2.261 178.089 175.800 0.046 0.000 1.112 362 F CA 2.396 60.410 58.000 0.023 0.000 1.212 362 F CB -0.343 38.712 39.000 0.091 0.000 0.975 362 F HN 0.255 nan 8.300 nan 0.000 0.476 363 F N 1.682 121.757 119.950 0.209 0.000 2.065 363 F HA -0.327 4.200 4.527 -0.000 0.000 0.298 363 F C 2.232 178.051 175.800 0.031 0.000 1.112 363 F CA 2.171 60.251 58.000 0.134 0.000 1.212 363 F CB -1.103 37.940 39.000 0.073 0.000 0.975 363 F HN -0.048 nan 8.300 nan 0.000 0.476 364 N N 0.228 118.601 118.700 -0.546 0.000 2.166 364 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 364 N C 2.013 177.324 175.510 -0.331 0.000 1.019 364 N CA 1.638 54.310 53.050 -0.631 0.000 0.856 364 N CB -0.567 37.588 38.487 -0.553 0.000 0.993 364 N HN 0.333 nan 8.380 nan 0.000 0.426 365 S N 1.075 116.661 115.700 -0.190 0.000 2.387 365 S HA 0.062 4.532 4.470 -0.000 0.000 0.226 365 S C 2.132 176.691 174.600 -0.068 0.000 1.026 365 S CA 0.457 58.580 58.200 -0.129 0.000 0.972 365 S CB -0.015 63.096 63.200 -0.149 0.000 0.814 365 S HN 0.236 nan 8.310 nan 0.000 0.477 366 I N 1.446 122.017 120.570 0.003 0.000 2.233 366 I HA -0.135 4.035 4.170 -0.000 0.000 0.243 366 I C 2.538 178.689 176.117 0.057 0.000 1.093 366 I CA 1.059 62.378 61.300 0.033 0.000 1.380 366 I CB -0.231 37.794 38.000 0.041 0.000 1.067 366 I HN 0.160 nan 8.210 nan 0.000 0.413 367 K N 1.215 121.650 120.400 0.059 0.000 2.103 367 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 367 K C 2.098 178.676 176.600 -0.036 0.000 1.048 367 K CA 1.650 57.961 56.287 0.041 0.000 0.930 367 K CB 0.020 32.341 32.500 -0.298 0.000 0.716 367 K HN 0.040 nan 8.250 nan 0.000 0.444 368 K N 0.443 120.791 120.400 -0.087 0.000 2.209 368 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 368 K C 1.390 177.967 176.600 -0.038 0.000 1.048 368 K CA 0.841 57.082 56.287 -0.077 0.000 0.940 368 K CB 0.124 32.567 32.500 -0.095 0.000 0.729 368 K HN 0.140 nan 8.250 nan 0.000 0.451 369 L N 1.085 122.298 121.223 -0.017 0.000 2.791 369 L HA 0.128 4.468 4.340 -0.000 0.000 0.239 369 L C -0.254 176.632 176.870 0.026 0.000 1.203 369 L CA -0.375 54.464 54.840 -0.002 0.000 1.002 369 L CB 0.204 42.256 42.059 -0.012 0.000 1.295 369 L HN 0.045 nan 8.230 nan 0.000 0.504 370 Q N -0.421 119.404 119.800 0.043 0.000 2.235 370 Q HA 0.237 4.577 4.340 -0.000 0.000 0.256 370 Q C -0.361 175.684 176.000 0.074 0.000 0.951 370 Q CA -0.367 55.482 55.803 0.076 0.000 0.890 370 Q CB 1.475 30.284 28.738 0.118 0.000 1.279 370 Q HN 0.137 nan 8.270 nan 0.000 0.444 371 H N 2.294 121.371 119.070 0.011 0.000 2.803 371 H HA 0.233 4.789 4.556 -0.000 0.000 0.330 371 H C -0.684 174.645 175.328 0.003 0.000 1.057 371 H CA 0.140 56.190 56.048 0.002 0.000 1.458 371 H CB 0.452 30.214 29.762 -0.001 0.000 1.470 371 H HN 0.459 nan 8.280 nan 0.000 0.560 372 I N 8.036 128.303 120.570 -0.504 0.000 2.377 372 I HA 0.189 4.359 4.170 -0.000 0.000 0.293 372 I C -1.773 174.081 176.117 -0.438 0.000 0.987 372 I CA -1.924 59.179 61.300 -0.328 0.000 1.185 372 I CB 1.901 39.780 38.000 -0.203 0.000 1.341 372 I HN 0.542 nan 8.210 nan 0.000 0.455 373 P HA 0.264 nan 4.420 nan 0.000 0.279 373 P C -0.836 176.462 177.300 -0.004 0.000 1.239 373 P CA -0.361 62.700 63.100 -0.065 0.000 0.789 373 P CB 0.745 32.429 31.700 -0.026 0.000 0.933 374 M N 0.988 120.585 119.600 -0.005 0.000 2.228 374 M HA 0.190 4.670 4.480 -0.000 0.000 0.326 374 M C 1.234 177.538 176.300 0.007 0.000 1.122 374 M CA -0.391 54.924 55.300 0.025 0.000 1.161 374 M CB 0.380 32.997 32.600 0.027 0.000 1.437 374 M HN 0.427 nan 8.290 nan 0.000 0.465 375 S N 1.072 116.772 115.700 0.000 0.000 2.589 375 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 375 S C 1.079 175.651 174.600 -0.047 0.000 1.342 375 S CA -0.247 57.925 58.200 -0.047 0.000 1.005 375 S CB 0.822 63.972 63.200 -0.083 0.000 0.909 375 S HN 0.746 nan 8.310 nan 0.000 0.555 376 A N 1.709 124.476 122.820 -0.088 0.000 1.865 376 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 376 A C 1.999 179.605 177.584 0.038 0.000 1.191 376 A CA 1.839 53.867 52.037 -0.015 0.000 0.623 376 A CB -1.329 17.691 19.000 0.033 0.000 0.826 376 A HN 1.015 nan 8.150 nan 0.000 0.444 377 D N -0.416 119.982 120.400 -0.003 0.000 2.178 377 D HA -0.221 4.419 4.640 -0.000 0.000 0.201 377 D C 1.731 178.081 176.300 0.084 0.000 0.980 377 D CA 1.524 55.594 54.000 0.117 0.000 0.842 377 D CB -0.588 40.298 40.800 0.143 0.000 0.948 377 D HN 0.704 nan 8.370 nan 0.000 0.472 378 E N 1.029 121.264 120.200 0.058 0.000 2.072 378 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 378 E C 2.222 178.851 176.600 0.048 0.000 0.982 378 E CA 1.045 57.507 56.400 0.102 0.000 0.803 378 E CB -0.127 29.648 29.700 0.126 0.000 0.755 378 E HN 0.272 nan 8.360 nan 0.000 0.453 379 A N 0.457 123.284 122.820 0.013 0.000 1.940 379 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 379 A C 2.402 179.965 177.584 -0.035 0.000 1.176 379 A CA 1.460 53.480 52.037 -0.028 0.000 0.631 379 A CB -0.749 18.241 19.000 -0.016 0.000 0.814 379 A HN 0.239 nan 8.150 nan 0.000 0.446 380 V N -0.833 119.082 119.914 0.002 0.000 2.255 380 V HA -0.348 3.771 4.120 -0.000 0.000 0.247 380 V C 2.692 178.777 176.094 -0.015 0.000 1.051 380 V CA 2.254 64.554 62.300 -0.001 0.000 1.018 380 V CB -0.968 30.873 31.823 0.031 0.000 0.641 380 V HN 0.731 nan 8.190 nan 0.000 0.445 381 C N -0.997 118.311 119.300 0.013 0.000 2.429 381 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 381 C C 3.250 178.211 174.990 -0.049 0.000 1.262 381 C CA 1.456 60.496 59.018 0.037 0.000 1.733 381 C CB -0.987 26.843 27.740 0.149 0.000 2.010 381 C HN 0.648 nan 8.230 nan 0.000 0.483 382 S N 0.484 116.038 115.700 -0.244 0.000 2.359 382 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 382 S C 2.020 176.548 174.600 -0.119 0.000 1.035 382 S CA 2.218 60.102 58.200 -0.527 0.000 1.018 382 S CB -0.229 62.591 63.200 -0.634 0.000 0.876 382 S HN 0.651 nan 8.310 nan 0.000 0.448 383 S N 0.684 116.339 115.700 -0.075 0.000 2.446 383 S HA 0.266 4.736 4.470 -0.000 0.000 0.225 383 S C 2.093 176.676 174.600 -0.030 0.000 1.016 383 S CA 0.653 58.843 58.200 -0.017 0.000 0.943 383 S CB -0.329 62.856 63.200 -0.025 0.000 0.786 383 S HN 0.651 nan 8.310 nan 0.000 0.508 384 A N 1.329 124.119 122.820 -0.050 0.000 1.877 384 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 384 A C 2.238 179.765 177.584 -0.095 0.000 1.186 384 A CA 1.521 53.518 52.037 -0.066 0.000 0.620 384 A CB -0.902 18.066 19.000 -0.055 0.000 0.822 384 A HN 0.344 nan 8.150 nan 0.000 0.443 385 V N 1.202 121.053 119.914 -0.105 0.000 2.490 385 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 385 V C 2.410 178.307 176.094 -0.329 0.000 1.061 385 V CA 2.023 64.186 62.300 -0.228 0.000 1.064 385 V CB -1.071 30.638 31.823 -0.190 0.000 0.670 385 V HN 0.747 nan 8.190 nan 0.000 0.461 386 N N 0.189 118.789 118.700 -0.166 0.000 2.166 386 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 386 N C 1.944 177.469 175.510 0.025 0.000 1.019 386 N CA 1.678 54.743 53.050 0.025 0.000 0.856 386 N CB 0.068 38.688 38.487 0.222 0.000 0.993 386 N HN 0.452 nan 8.380 nan 0.000 0.426 387 S N 0.249 115.926 115.700 -0.039 0.000 2.382 387 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 387 S C 2.109 176.647 174.600 -0.103 0.000 1.027 387 S CA 0.698 58.855 58.200 -0.071 0.000 0.991 387 S CB -0.210 62.931 63.200 -0.097 0.000 0.823 387 S HN 0.173 nan 8.310 nan 0.000 0.469 388 V N 0.476 120.297 119.914 -0.154 0.000 2.332 388 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 388 V C 1.907 177.853 176.094 -0.247 0.000 1.055 388 V CA 1.741 63.898 62.300 -0.238 0.000 1.038 388 V CB -0.762 30.841 31.823 -0.366 0.000 0.651 388 V HN 0.499 nan 8.190 nan 0.000 0.450 389 Y N 0.323 120.559 120.300 -0.106 0.000 2.286 389 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 389 Y C 2.534 178.404 175.900 -0.051 0.000 1.124 389 Y CA 1.292 59.355 58.100 -0.061 0.000 1.178 389 Y CB -0.231 38.235 38.460 0.009 0.000 1.010 389 Y HN 0.313 nan 8.280 nan 0.000 0.536 390 E N -0.809 119.452 120.200 0.101 0.000 2.152 390 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 390 E C 1.878 178.478 176.600 0.000 0.000 0.983 390 E CA 1.716 58.143 56.400 0.045 0.000 0.818 390 E CB -0.094 29.623 29.700 0.029 0.000 0.758 390 E HN 0.518 nan 8.360 nan 0.000 0.467 391 T N -2.030 112.500 114.554 -0.040 0.000 3.037 391 T HA 0.130 4.480 4.350 -0.000 0.000 0.251 391 T C 0.572 175.318 174.700 0.076 0.000 1.079 391 T CA -0.226 61.845 62.100 -0.048 0.000 1.067 391 T CB 0.101 68.801 68.868 -0.280 0.000 0.948 391 T HN -0.036 nan 8.240 nan 0.000 0.496 392 K N 1.229 121.645 120.400 0.027 0.000 3.162 392 K HA -0.094 4.226 4.320 -0.000 0.000 0.268 392 K C 0.143 176.770 176.600 0.044 0.000 1.062 392 K CA 0.085 56.387 56.287 0.024 0.000 0.769 392 K CB -2.142 30.389 32.500 0.051 0.000 1.274 392 K HN 0.707 nan 8.250 nan 0.000 0.478 393 A N 1.144 123.967 122.820 0.005 0.000 2.511 393 A HA 0.034 4.354 4.320 -0.000 0.000 0.242 393 A C 1.053 178.618 177.584 -0.032 0.000 1.069 393 A CA 0.292 52.347 52.037 0.029 0.000 0.763 393 A CB 0.289 19.272 19.000 -0.028 0.000 1.001 393 A HN 0.400 nan 8.150 nan 0.000 0.498 394 K N 0.625 121.023 120.400 -0.003 0.000 2.367 394 K HA 0.358 4.678 4.320 -0.000 0.000 0.194 394 K C 0.366 176.923 176.600 -0.072 0.000 1.027 394 K CA 0.872 57.140 56.287 -0.030 0.000 1.075 394 K CB 0.291 32.798 32.500 0.012 0.000 0.845 394 K HN 0.806 nan 8.250 nan 0.000 0.529 395 A N 0.694 123.476 122.820 -0.063 0.000 2.588 395 A HA 0.734 5.054 4.320 -0.000 0.000 0.290 395 A C -1.786 175.753 177.584 -0.075 0.000 1.136 395 A CA -0.708 51.276 52.037 -0.088 0.000 0.681 395 A CB 1.493 20.505 19.000 0.021 0.000 1.282 395 A HN 0.086 nan 8.150 nan 0.000 0.421 396 M N 0.811 120.366 119.600 -0.074 0.000 2.378 396 M HA 0.575 5.055 4.480 -0.000 0.000 0.289 396 M C -1.965 174.331 176.300 -0.007 0.000 1.136 396 M CA -0.508 54.762 55.300 -0.051 0.000 0.917 396 M CB 2.323 34.874 32.600 -0.082 0.000 1.669 396 M HN 0.490 nan 8.290 nan 0.000 0.461 397 V N 4.088 124.008 119.914 0.010 0.000 2.487 397 V HA 0.671 4.791 4.120 -0.000 0.000 0.298 397 V C -1.123 174.988 176.094 0.029 0.000 1.028 397 V CA -0.772 61.547 62.300 0.032 0.000 0.860 397 V CB 1.761 33.617 31.823 0.055 0.000 0.991 397 V HN 0.632 nan 8.190 nan 0.000 0.427 398 V N 6.707 126.638 119.914 0.027 0.000 2.656 398 V HA 0.559 4.679 4.120 -0.000 0.000 0.307 398 V C -0.612 175.502 176.094 0.032 0.000 1.051 398 V CA -0.559 61.761 62.300 0.033 0.000 0.893 398 V CB 2.059 33.898 31.823 0.027 0.000 0.999 398 V HN 0.748 nan 8.190 nan 0.000 0.426 399 L N 5.576 126.826 121.223 0.045 0.000 2.261 399 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 399 L C 0.099 176.984 176.870 0.026 0.000 1.059 399 L CA 0.132 54.982 54.840 0.017 0.000 0.816 399 L CB 1.238 43.296 42.059 -0.002 0.000 1.191 399 L HN 0.615 nan 8.230 nan 0.000 0.431 400 S N 2.038 117.753 115.700 0.025 0.000 2.733 400 S HA 0.346 4.816 4.470 -0.000 0.000 0.294 400 S C 0.481 175.109 174.600 0.045 0.000 1.149 400 S CA -0.699 57.523 58.200 0.038 0.000 1.034 400 S CB 1.160 64.385 63.200 0.041 0.000 1.015 400 S HN 0.705 nan 8.310 nan 0.000 0.486 401 N N 1.467 120.195 118.700 0.047 0.000 2.124 401 N HA -0.009 4.731 4.740 -0.000 0.000 0.188 401 N C 0.843 176.390 175.510 0.062 0.000 1.045 401 N CA 0.840 53.927 53.050 0.062 0.000 0.846 401 N CB -0.177 38.343 38.487 0.055 0.000 1.020 401 N HN 0.666 nan 8.380 nan 0.000 0.432 402 T N -1.810 112.775 114.554 0.052 0.000 2.904 402 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 402 T C 1.316 176.043 174.700 0.045 0.000 1.018 402 T CA -0.631 61.496 62.100 0.045 0.000 1.075 402 T CB 1.450 70.343 68.868 0.041 0.000 0.986 402 T HN 0.237 nan 8.240 nan 0.000 0.523 403 G N 1.197 110.020 108.800 0.039 0.000 2.843 403 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.205 403 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.205 403 G C 1.465 176.388 174.900 0.039 0.000 1.160 403 G CA -0.182 44.941 45.100 0.037 0.000 0.819 403 G HN 0.789 nan 8.290 nan 0.000 0.516 404 R N 0.402 120.928 120.500 0.043 0.000 2.088 404 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 404 R C 2.865 179.198 176.300 0.055 0.000 1.136 404 R CA 1.788 57.916 56.100 0.047 0.000 0.926 404 R CB -0.490 29.842 30.300 0.053 0.000 0.837 404 R HN 0.374 nan 8.270 nan 0.000 0.429 405 S N 0.689 116.426 115.700 0.062 0.000 2.370 405 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 405 S C 2.047 176.684 174.600 0.061 0.000 1.033 405 S CA 1.330 59.572 58.200 0.069 0.000 1.011 405 S CB -0.271 62.969 63.200 0.068 0.000 0.852 405 S HN 0.505 nan 8.310 nan 0.000 0.457 406 A N 1.849 124.698 122.820 0.048 0.000 1.902 406 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 406 A C 2.187 179.794 177.584 0.038 0.000 1.181 406 A CA 1.247 53.308 52.037 0.039 0.000 0.623 406 A CB -0.444 18.575 19.000 0.031 0.000 0.818 406 A HN 0.398 nan 8.150 nan 0.000 0.443 407 R N -1.408 119.114 120.500 0.036 0.000 2.115 407 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 407 R C 1.945 178.262 176.300 0.028 0.000 1.111 407 R CA 1.120 57.235 56.100 0.025 0.000 0.976 407 R CB -0.384 29.928 30.300 0.020 0.000 0.870 407 R HN 0.443 nan 8.270 nan 0.000 0.445 408 L N 0.403 121.660 121.223 0.057 0.000 2.141 408 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 408 L C 1.933 178.905 176.870 0.171 0.000 1.094 408 L CA 1.365 56.264 54.840 0.098 0.000 0.763 408 L CB -0.050 42.077 42.059 0.115 0.000 0.908 408 L HN -0.088 nan 8.230 nan 0.000 0.437 409 V N -0.667 119.326 119.914 0.131 0.000 2.273 409 V HA -0.176 3.944 4.120 -0.000 0.000 0.242 409 V C 2.675 178.845 176.094 0.126 0.000 1.035 409 V CA 1.387 63.775 62.300 0.147 0.000 1.013 409 V CB -1.093 30.775 31.823 0.075 0.000 0.652 409 V HN 0.499 nan 8.190 nan 0.000 0.452 410 A N -0.152 122.701 122.820 0.056 0.000 1.997 410 A HA -0.339 3.981 4.320 -0.000 0.000 0.221 410 A C 2.285 179.857 177.584 -0.021 0.000 1.172 410 A CA 2.425 54.472 52.037 0.017 0.000 0.645 410 A CB -0.658 18.342 19.000 0.001 0.000 0.813 410 A HN 0.554 nan 8.150 nan 0.000 0.454 411 K N -1.633 118.738 120.400 -0.048 0.000 2.127 411 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 411 K C 0.883 177.324 176.600 -0.266 0.000 1.047 411 K CA 1.923 58.090 56.287 -0.200 0.000 0.927 411 K CB -0.286 32.027 32.500 -0.312 0.000 0.716 411 K HN 0.589 nan 8.250 nan 0.000 0.450 412 Y N 0.927 121.292 120.300 0.109 0.000 2.493 412 Y HA 0.224 4.774 4.550 -0.000 0.000 0.275 412 Y C -0.284 175.766 175.900 0.251 0.000 1.183 412 Y CA -0.298 57.948 58.100 0.244 0.000 1.258 412 Y CB 0.411 39.076 38.460 0.342 0.000 1.108 412 Y HN -0.049 nan 8.280 nan 0.000 0.521 413 R N 0.117 120.713 120.500 0.160 0.000 2.939 413 R HA -0.165 4.175 4.340 -0.000 0.000 0.255 413 R C -2.921 173.494 176.300 0.191 0.000 0.882 413 R CA 0.184 56.332 56.100 0.079 0.000 0.658 413 R CB -1.770 28.480 30.300 -0.084 0.000 1.447 413 R HN 0.286 nan 8.270 nan 0.000 0.506 414 P HA 0.029 nan 4.420 nan 0.000 0.275 414 P C 0.237 177.506 177.300 -0.052 0.000 1.266 414 P CA -0.224 62.814 63.100 -0.103 0.000 0.793 414 P CB 0.455 32.038 31.700 -0.194 0.000 1.074 415 N N -0.832 117.716 118.700 -0.253 0.000 2.380 415 N HA 0.138 4.878 4.740 -0.000 0.000 0.255 415 N C -0.295 175.195 175.510 -0.034 0.000 1.158 415 N CA -0.561 52.477 53.050 -0.020 0.000 0.878 415 N CB -1.204 37.324 38.487 0.068 0.000 1.138 415 N HN 0.473 nan 8.380 nan 0.000 0.509 416 C N -2.788 116.425 119.300 -0.145 0.000 3.171 416 C HA 0.766 5.226 4.460 -0.000 0.000 0.308 416 C C -3.004 171.600 174.990 -0.644 0.000 1.334 416 C CA -1.907 56.907 59.018 -0.340 0.000 1.473 416 C CB 1.528 29.096 27.740 -0.287 0.000 1.866 416 C HN 0.035 nan 8.230 nan 0.000 0.465 417 P HA 0.391 nan 4.420 nan 0.000 0.269 417 P C -0.858 176.183 177.300 -0.432 0.000 1.209 417 P CA 0.241 62.715 63.100 -1.043 0.000 0.776 417 P CB 0.250 31.116 31.700 -1.390 0.000 0.876 418 I N 2.094 122.525 120.570 -0.231 0.000 2.328 418 I HA 0.188 4.358 4.170 -0.000 0.000 0.287 418 I C -0.344 175.760 176.117 -0.021 0.000 1.012 418 I CA -0.755 60.489 61.300 -0.093 0.000 1.195 418 I CB 1.320 39.292 38.000 -0.046 0.000 1.350 418 I HN -0.040 nan 8.210 nan 0.000 0.464 419 V N 6.050 125.975 119.914 0.019 0.000 2.364 419 V HA 0.159 4.279 4.120 -0.000 0.000 0.272 419 V C -0.076 176.022 176.094 0.007 0.000 1.036 419 V CA -0.507 61.827 62.300 0.057 0.000 0.880 419 V CB 1.315 33.242 31.823 0.174 0.000 0.991 419 V HN 0.859 nan 8.190 nan 0.000 0.460 420 C N 7.274 126.559 119.300 -0.026 0.000 2.251 420 C HA 0.665 5.125 4.460 -0.000 0.000 0.323 420 C C 0.062 175.034 174.990 -0.031 0.000 1.241 420 C CA -0.397 58.612 59.018 -0.014 0.000 1.601 420 C CB -0.065 27.675 27.740 0.001 0.000 2.251 420 C HN 0.688 nan 8.230 nan 0.000 0.488 421 V N 6.647 126.552 119.914 -0.015 0.000 2.406 421 V HA 0.542 4.662 4.120 -0.000 0.000 0.272 421 V C 0.632 176.733 176.094 0.011 0.000 1.043 421 V CA 0.222 62.515 62.300 -0.011 0.000 0.915 421 V CB 1.360 33.168 31.823 -0.026 0.000 0.988 421 V HN 0.962 nan 8.190 nan 0.000 0.466 422 T N 2.153 116.741 114.554 0.058 0.000 2.900 422 T HA 0.392 4.742 4.350 -0.000 0.000 0.295 422 T C 0.875 175.661 174.700 0.143 0.000 1.044 422 T CA 0.223 62.383 62.100 0.100 0.000 0.995 422 T CB 1.849 70.792 68.868 0.126 0.000 1.072 422 T HN 0.862 nan 8.240 nan 0.000 0.473 423 T N 1.223 115.862 114.554 0.142 0.000 3.081 423 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 423 T C 0.690 175.620 174.700 0.383 0.000 1.100 423 T CA 0.030 62.222 62.100 0.154 0.000 1.038 423 T CB 0.018 68.970 68.868 0.140 0.000 0.962 423 T HN 0.404 nan 8.240 nan 0.000 0.516 424 R N 0.239 120.954 120.500 0.360 0.000 2.437 424 R HA 0.558 4.898 4.340 -0.000 0.000 0.310 424 R C 0.272 176.679 176.300 0.178 0.000 0.955 424 R CA -0.697 55.569 56.100 0.277 0.000 0.851 424 R CB 1.387 31.770 30.300 0.137 0.000 1.161 424 R HN -0.025 nan 8.270 nan 0.000 0.446 425 L N 2.465 123.644 121.223 -0.074 0.000 2.217 425 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 425 L C 2.099 178.884 176.870 -0.142 0.000 1.107 425 L CA 1.752 56.395 54.840 -0.328 0.000 0.783 425 L CB -0.281 41.437 42.059 -0.568 0.000 0.919 425 L HN 0.688 nan 8.230 nan 0.000 0.442 426 Q N -1.607 118.148 119.800 -0.075 0.000 2.172 426 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 426 Q C 1.786 177.775 176.000 -0.018 0.000 0.964 426 Q CA 1.805 57.579 55.803 -0.048 0.000 0.855 426 Q CB 0.104 28.821 28.738 -0.034 0.000 0.918 426 Q HN 0.442 nan 8.270 nan 0.000 0.444 427 T N -0.206 114.355 114.554 0.012 0.000 2.821 427 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 427 T C 1.883 176.598 174.700 0.024 0.000 1.046 427 T CA 1.146 63.264 62.100 0.030 0.000 1.139 427 T CB -0.397 68.506 68.868 0.058 0.000 0.871 427 T HN 0.413 nan 8.240 nan 0.000 0.454 428 C N 1.433 120.745 119.300 0.020 0.000 2.413 428 C HA -0.071 4.389 4.460 -0.000 0.000 0.276 428 C C 2.889 177.876 174.990 -0.006 0.000 1.236 428 C CA 0.650 59.672 59.018 0.007 0.000 1.735 428 C CB -0.947 26.786 27.740 -0.012 0.000 2.031 428 C HN 0.552 nan 8.230 nan 0.000 0.474 429 R N 0.120 120.606 120.500 -0.023 0.000 2.073 429 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 429 R C 2.312 178.609 176.300 -0.006 0.000 1.120 429 R CA 1.179 57.266 56.100 -0.022 0.000 0.967 429 R CB -0.384 29.890 30.300 -0.043 0.000 0.862 429 R HN 0.664 nan 8.270 nan 0.000 0.436 430 Q N 0.534 120.332 119.800 -0.004 0.000 2.167 430 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 430 Q C 1.913 177.927 176.000 0.023 0.000 0.970 430 Q CA 0.970 56.777 55.803 0.008 0.000 0.855 430 Q CB 0.035 28.777 28.738 0.007 0.000 0.911 430 Q HN 0.326 nan 8.270 nan 0.000 0.438 431 L N 0.932 122.169 121.223 0.022 0.000 2.622 431 L HA -0.072 4.268 4.340 -0.000 0.000 0.233 431 L C 1.078 177.968 176.870 0.033 0.000 1.156 431 L CA -0.029 54.828 54.840 0.028 0.000 0.866 431 L CB -0.119 41.956 42.059 0.026 0.000 0.980 431 L HN 0.167 nan 8.230 nan 0.000 0.448 432 N N 0.619 119.340 118.700 0.034 0.000 2.571 432 N HA -0.062 4.678 4.740 -0.000 0.000 0.189 432 N C 1.436 176.977 175.510 0.053 0.000 1.154 432 N CA 0.805 53.880 53.050 0.043 0.000 0.907 432 N CB 0.024 38.534 38.487 0.038 0.000 0.977 432 N HN 0.559 nan 8.380 nan 0.000 0.449 433 I N -4.068 116.535 120.570 0.055 0.000 3.976 433 I HA 0.267 4.437 4.170 -0.000 0.000 0.337 433 I C -0.378 175.762 176.117 0.038 0.000 1.359 433 I CA -0.076 61.261 61.300 0.062 0.000 1.098 433 I CB 0.266 38.322 38.000 0.095 0.000 1.027 433 I HN -0.307 nan 8.210 nan 0.000 0.394 434 T N 3.108 117.681 114.554 0.032 0.000 2.758 434 T HA 0.181 4.531 4.350 -0.000 0.000 0.285 434 T C -0.190 174.521 174.700 0.019 0.000 0.981 434 T CA -0.290 61.821 62.100 0.019 0.000 0.965 434 T CB 1.297 70.175 68.868 0.018 0.000 0.927 434 T HN 0.290 nan 8.240 nan 0.000 0.448 435 Q N 2.228 122.029 119.800 0.003 0.000 2.349 435 Q HA 0.124 4.464 4.340 -0.000 0.000 0.287 435 Q C 1.084 177.099 176.000 0.025 0.000 1.044 435 Q CA 1.357 57.161 55.803 0.002 0.000 0.918 435 Q CB 0.161 28.878 28.738 -0.035 0.000 1.242 435 Q HN 1.085 nan 8.270 nan 0.000 0.405 436 G N 2.479 111.319 108.800 0.068 0.000 2.168 436 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.257 436 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.257 436 G C -0.252 174.698 174.900 0.083 0.000 0.997 436 G CA 0.301 45.483 45.100 0.136 0.000 0.708 436 G HN 0.573 nan 8.290 nan 0.000 0.520 437 V N 0.214 120.167 119.914 0.065 0.000 2.495 437 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 437 V C 0.044 176.178 176.094 0.066 0.000 1.031 437 V CA -0.701 61.626 62.300 0.045 0.000 0.871 437 V CB 1.858 33.699 31.823 0.030 0.000 0.988 437 V HN 0.368 nan 8.190 nan 0.000 0.432 438 E N 2.163 122.403 120.200 0.067 0.000 2.222 438 E HA 0.591 4.941 4.350 -0.000 0.000 0.267 438 E C -1.159 175.405 176.600 -0.059 0.000 0.884 438 E CA -0.530 55.917 56.400 0.078 0.000 0.764 438 E CB 2.233 32.092 29.700 0.266 0.000 1.169 438 E HN 0.612 nan 8.360 nan 0.000 0.413 439 S N 1.479 117.113 115.700 -0.111 0.000 2.454 439 S HA 0.406 4.876 4.470 -0.000 0.000 0.306 439 S C -0.445 173.999 174.600 -0.261 0.000 1.100 439 S CA -0.738 57.379 58.200 -0.139 0.000 1.087 439 S CB 1.381 64.561 63.200 -0.033 0.000 1.019 439 S HN 0.221 nan 8.310 nan 0.000 0.480 440 V N 3.928 123.692 119.914 -0.250 0.000 2.435 440 V HA 0.459 4.579 4.120 -0.000 0.000 0.290 440 V C -0.670 175.452 176.094 0.047 0.000 1.030 440 V CA -0.772 61.413 62.300 -0.192 0.000 0.881 440 V CB 1.097 32.783 31.823 -0.229 0.000 0.983 440 V HN 0.832 nan 8.190 nan 0.000 0.445 441 F N 5.917 125.843 119.950 -0.041 0.000 2.405 441 F HA 0.580 5.107 4.527 -0.000 0.000 0.355 441 F C -0.725 175.117 175.800 0.070 0.000 1.121 441 F CA -1.267 56.743 58.000 0.017 0.000 1.112 441 F CB 0.886 39.880 39.000 -0.009 0.000 1.126 441 F HN 0.435 nan 8.300 nan 0.000 0.481 442 F N 6.569 126.094 119.950 -0.709 0.000 2.385 442 F HA 0.275 4.802 4.527 -0.000 0.000 0.360 442 F C -0.102 175.047 175.800 -1.086 0.000 1.122 442 F CA -0.673 56.930 58.000 -0.662 0.000 1.090 442 F CB 0.415 39.226 39.000 -0.315 0.000 1.150 442 F HN 0.406 nan 8.300 nan 0.000 0.472 443 D N 5.347 124.979 120.400 -1.279 0.000 2.453 443 D HA 0.228 4.868 4.640 -0.000 0.000 0.223 443 D C 0.886 176.831 176.300 -0.592 0.000 1.183 443 D CA 0.242 53.744 54.000 -0.829 0.000 0.933 443 D CB 1.274 41.823 40.800 -0.418 0.000 1.038 443 D HN 0.703 nan 8.370 nan 0.000 0.513 444 A N 3.579 126.265 122.820 -0.224 0.000 2.121 444 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 444 A C 1.733 179.218 177.584 -0.165 0.000 1.154 444 A CA 0.801 52.820 52.037 -0.030 0.000 0.679 444 A CB 0.072 19.169 19.000 0.162 0.000 0.795 444 A HN 0.422 nan 8.150 nan 0.000 0.458 445 D N -0.030 120.294 120.400 -0.126 0.000 2.224 445 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 445 D C 1.725 177.945 176.300 -0.132 0.000 0.965 445 D CA 1.562 55.499 54.000 -0.104 0.000 0.852 445 D CB 0.022 40.808 40.800 -0.024 0.000 0.947 445 D HN 0.829 nan 8.370 nan 0.000 0.494 446 K N -0.601 119.693 120.400 -0.176 0.000 2.438 446 K HA 0.224 4.544 4.320 -0.000 0.000 0.206 446 K C 1.166 177.630 176.600 -0.227 0.000 1.081 446 K CA 0.036 56.221 56.287 -0.171 0.000 1.053 446 K CB 0.552 32.971 32.500 -0.136 0.000 0.908 446 K HN 0.033 nan 8.250 nan 0.000 0.556 447 L N 0.365 121.409 121.223 -0.300 0.000 2.993 447 L HA 0.363 4.703 4.340 -0.000 0.000 0.264 447 L C 0.391 177.190 176.870 -0.119 0.000 1.154 447 L CA 0.101 54.758 54.840 -0.304 0.000 0.972 447 L CB 1.316 43.000 42.059 -0.625 0.000 1.373 447 L HN 0.443 nan 8.230 nan 0.000 0.564 448 G N -0.680 108.058 108.800 -0.104 0.000 2.570 448 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 448 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 448 G C -0.197 174.720 174.900 0.029 0.000 1.257 448 G CA -0.683 44.372 45.100 -0.075 0.000 0.846 448 G HN 0.108 nan 8.290 nan 0.000 0.627 449 H N 0.328 119.468 119.070 0.118 0.000 2.559 449 H HA 0.033 4.589 4.556 -0.000 0.000 0.273 449 H C 1.465 176.817 175.328 0.041 0.000 1.000 449 H CA 1.275 57.375 56.048 0.086 0.000 1.195 449 H CB 0.000 29.788 29.762 0.042 0.000 1.368 449 H HN 0.801 nan 8.280 nan 0.000 0.592 450 D N 1.946 122.441 120.400 0.157 0.000 2.810 450 D HA -0.171 4.469 4.640 -0.000 0.000 0.224 450 D C 1.488 177.762 176.300 -0.043 0.000 1.222 450 D CA 0.677 54.705 54.000 0.046 0.000 0.698 450 D CB -0.301 40.412 40.800 -0.145 0.000 0.961 450 D HN 0.611 nan 8.370 nan 0.000 0.403 451 E N -0.121 120.081 120.200 0.003 0.000 2.274 451 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 451 E C 1.954 178.525 176.600 -0.047 0.000 0.996 451 E CA 1.227 57.616 56.400 -0.019 0.000 0.840 451 E CB -0.379 29.325 29.700 0.007 0.000 0.772 451 E HN 0.483 nan 8.360 nan 0.000 0.491 452 G N 1.245 109.998 108.800 -0.078 0.000 3.088 452 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.212 452 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.212 452 G C 0.581 175.381 174.900 -0.166 0.000 1.173 452 G CA 0.067 45.118 45.100 -0.082 0.000 0.779 452 G HN 0.059 nan 8.290 nan 0.000 0.540 453 K N -0.649 119.597 120.400 -0.257 0.000 3.606 453 K HA -0.263 4.057 4.320 -0.000 0.000 0.279 453 K C 1.416 177.795 176.600 -0.368 0.000 1.137 453 K CA 1.851 57.890 56.287 -0.414 0.000 1.058 453 K CB -1.251 30.771 32.500 -0.796 0.000 1.343 453 K HN 0.530 nan 8.250 nan 0.000 0.462 454 E N 0.723 120.726 120.200 -0.327 0.000 2.049 454 E HA -0.175 4.175 4.350 -0.000 0.000 0.198 454 E C 1.911 178.366 176.600 -0.242 0.000 1.007 454 E CA 2.069 58.293 56.400 -0.293 0.000 0.809 454 E CB -0.458 29.029 29.700 -0.355 0.000 0.749 454 E HN 0.723 nan 8.360 nan 0.000 0.450 455 H N -0.103 118.889 119.070 -0.131 0.000 2.357 455 H HA 0.084 4.640 4.556 -0.000 0.000 0.301 455 H C 2.132 177.369 175.328 -0.151 0.000 1.082 455 H CA 1.158 57.162 56.048 -0.073 0.000 1.342 455 H CB 0.061 29.844 29.762 0.035 0.000 1.389 455 H HN -0.017 nan 8.280 nan 0.000 0.511 456 R N 0.236 120.559 120.500 -0.295 0.000 2.075 456 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 456 R C 2.304 178.536 176.300 -0.113 0.000 1.126 456 R CA 1.184 57.088 56.100 -0.327 0.000 0.963 456 R CB -0.184 29.826 30.300 -0.483 0.000 0.858 456 R HN 0.147 nan 8.270 nan 0.000 0.435 457 V N 1.033 120.884 119.914 -0.105 0.000 2.343 457 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 457 V C 2.453 178.562 176.094 0.025 0.000 1.051 457 V CA 1.961 64.251 62.300 -0.018 0.000 1.036 457 V CB -0.762 31.058 31.823 -0.005 0.000 0.654 457 V HN 0.395 nan 8.190 nan 0.000 0.451 458 A N 0.093 122.928 122.820 0.026 0.000 1.940 458 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 458 A C 2.397 180.037 177.584 0.092 0.000 1.176 458 A CA 2.193 54.268 52.037 0.064 0.000 0.631 458 A CB -0.724 18.327 19.000 0.084 0.000 0.814 458 A HN 0.588 nan 8.150 nan 0.000 0.446 459 A N -0.726 122.159 122.820 0.107 0.000 1.929 459 A HA 0.203 4.523 4.320 -0.000 0.000 0.216 459 A C 2.343 180.011 177.584 0.139 0.000 1.176 459 A CA 1.728 53.845 52.037 0.133 0.000 0.628 459 A CB -1.140 17.962 19.000 0.171 0.000 0.816 459 A HN 0.674 nan 8.150 nan 0.000 0.444 460 G N -0.660 108.205 108.800 0.109 0.000 2.394 460 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.215 460 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.215 460 G C 1.460 176.471 174.900 0.184 0.000 1.165 460 G CA 1.113 46.294 45.100 0.135 0.000 0.784 460 G HN 0.282 nan 8.290 nan 0.000 0.535 461 V N 0.862 120.852 119.914 0.128 0.000 2.427 461 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 461 V C 2.662 178.820 176.094 0.105 0.000 1.051 461 V CA 2.176 64.541 62.300 0.108 0.000 1.048 461 V CB -0.127 31.740 31.823 0.074 0.000 0.666 461 V HN 0.444 nan 8.190 nan 0.000 0.456 462 E N 0.338 120.606 120.200 0.113 0.000 2.110 462 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 462 E C 1.900 178.564 176.600 0.107 0.000 0.988 462 E CA 1.570 58.026 56.400 0.093 0.000 0.804 462 E CB -0.474 29.284 29.700 0.097 0.000 0.745 462 E HN 0.551 nan 8.360 nan 0.000 0.458 463 F N 0.348 120.313 119.950 0.026 0.000 2.186 463 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 463 F C 2.011 177.809 175.800 -0.004 0.000 1.090 463 F CA 1.557 59.568 58.000 0.020 0.000 1.307 463 F CB -0.465 38.568 39.000 0.055 0.000 1.019 463 F HN 0.115 nan 8.300 nan 0.000 0.489 464 A N 0.456 123.361 122.820 0.142 0.000 1.930 464 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 464 A C 2.282 179.803 177.584 -0.106 0.000 1.175 464 A CA 1.288 53.378 52.037 0.089 0.000 0.627 464 A CB -0.552 18.592 19.000 0.239 0.000 0.815 464 A HN 0.265 nan 8.150 nan 0.000 0.443 465 K N 0.540 120.906 120.400 -0.057 0.000 2.057 465 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 465 K C 2.500 178.999 176.600 -0.168 0.000 1.049 465 K CA 1.705 57.941 56.287 -0.084 0.000 0.931 465 K CB -0.533 31.948 32.500 -0.031 0.000 0.714 465 K HN 0.676 nan 8.250 nan 0.000 0.440 466 S N 0.950 116.526 115.700 -0.206 0.000 2.383 466 S HA -0.063 4.407 4.470 -0.000 0.000 0.227 466 S C 1.779 176.151 174.600 -0.380 0.000 1.026 466 S CA 0.864 58.918 58.200 -0.244 0.000 0.981 466 S CB -0.015 63.060 63.200 -0.207 0.000 0.818 466 S HN 0.102 nan 8.310 nan 0.000 0.472 467 K N 0.897 120.917 120.400 -0.633 0.000 2.432 467 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 467 K C 1.371 177.518 176.600 -0.756 0.000 1.038 467 K CA 0.694 56.472 56.287 -0.847 0.000 0.986 467 K CB -0.418 31.221 32.500 -1.435 0.000 0.782 467 K HN 0.686 nan 8.250 nan 0.000 0.485 468 G N 1.126 109.617 108.800 -0.515 0.000 2.132 468 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.228 468 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.228 468 G C 0.426 175.239 174.900 -0.144 0.000 1.000 468 G CA 0.199 45.138 45.100 -0.268 0.000 0.693 468 G HN 0.210 nan 8.290 nan 0.000 0.515 469 Y N -0.330 119.923 120.300 -0.078 0.000 2.337 469 Y HA 0.337 4.887 4.550 -0.000 0.000 0.293 469 Y C 1.787 177.655 175.900 -0.053 0.000 1.123 469 Y CA 0.493 58.552 58.100 -0.069 0.000 1.201 469 Y CB -0.244 38.157 38.460 -0.098 0.000 1.011 469 Y HN 0.718 nan 8.280 nan 0.000 0.545 470 V N -1.701 118.260 119.914 0.079 0.000 2.876 470 V HA 0.713 4.832 4.120 -0.000 0.000 0.312 470 V C -0.864 175.227 176.094 -0.006 0.000 1.085 470 V CA -1.264 61.056 62.300 0.034 0.000 0.945 470 V CB 2.074 33.921 31.823 0.040 0.000 1.017 470 V HN -0.024 nan 8.190 nan 0.000 0.428 471 Q N 0.563 120.354 119.800 -0.016 0.000 2.814 471 Q HA 0.597 4.937 4.340 -0.000 0.000 0.283 471 Q C -0.330 175.649 176.000 -0.035 0.000 1.071 471 Q CA -0.761 55.026 55.803 -0.027 0.000 0.849 471 Q CB 1.405 30.126 28.738 -0.029 0.000 1.437 471 Q HN 0.861 nan 8.270 nan 0.000 0.492 472 T N 0.862 115.394 114.554 -0.036 0.000 2.829 472 T HA 0.370 4.720 4.350 -0.000 0.000 0.293 472 T C 0.844 175.505 174.700 -0.065 0.000 0.970 472 T CA 1.058 63.133 62.100 -0.042 0.000 1.168 472 T CB -0.162 68.686 68.868 -0.033 0.000 0.911 472 T HN 0.859 nan 8.240 nan 0.000 0.535 473 G N 3.403 112.146 108.800 -0.094 0.000 2.201 473 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 473 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 473 G C -0.166 174.587 174.900 -0.245 0.000 0.994 473 G CA -0.542 44.467 45.100 -0.152 0.000 0.644 473 G HN 0.635 nan 8.290 nan 0.000 0.508 474 D N -0.132 120.160 120.400 -0.180 0.000 2.354 474 D HA 0.572 5.212 4.640 -0.000 0.000 0.247 474 D C 0.086 176.264 176.300 -0.204 0.000 1.138 474 D CA 0.049 53.938 54.000 -0.186 0.000 0.958 474 D CB 0.538 41.300 40.800 -0.063 0.000 1.144 474 D HN 0.125 nan 8.370 nan 0.000 0.458 475 Y N -0.350 119.941 120.300 -0.015 0.000 2.376 475 Y HA 0.373 4.923 4.550 -0.000 0.000 0.325 475 Y C 0.347 176.231 175.900 -0.025 0.000 1.199 475 Y CA -0.919 57.169 58.100 -0.020 0.000 1.206 475 Y CB 1.441 39.884 38.460 -0.028 0.000 1.229 475 Y HN 0.245 nan 8.280 nan 0.000 0.480 476 C N 2.691 122.093 119.300 0.171 0.000 2.551 476 C HA 0.716 5.176 4.460 -0.000 0.000 0.332 476 C C -1.266 173.745 174.990 0.034 0.000 1.139 476 C CA -0.708 58.353 59.018 0.072 0.000 1.328 476 C CB -0.226 27.551 27.740 0.062 0.000 1.903 476 C HN 0.584 nan 8.230 nan 0.000 0.459 477 V N 6.946 126.853 119.914 -0.011 0.000 2.348 477 V HA 0.387 4.507 4.120 -0.000 0.000 0.270 477 V C 0.117 176.188 176.094 -0.039 0.000 1.037 477 V CA -0.168 62.105 62.300 -0.045 0.000 0.872 477 V CB 1.166 32.941 31.823 -0.079 0.000 1.002 477 V HN 0.711 nan 8.190 nan 0.000 0.464 478 V N 7.207 127.094 119.914 -0.044 0.000 2.398 478 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 478 V C -0.100 175.921 176.094 -0.121 0.000 1.026 478 V CA -0.381 61.897 62.300 -0.037 0.000 0.868 478 V CB 1.722 33.552 31.823 0.011 0.000 0.982 478 V HN 0.674 nan 8.190 nan 0.000 0.443 479 I N 6.417 126.938 120.570 -0.081 0.000 2.389 479 I HA 0.676 4.846 4.170 -0.000 0.000 0.288 479 I C -0.149 175.934 176.117 -0.057 0.000 0.999 479 I CA -0.163 61.065 61.300 -0.121 0.000 1.129 479 I CB 1.226 39.200 38.000 -0.043 0.000 1.288 479 I HN 0.992 nan 8.210 nan 0.000 0.444 480 H N 4.133 123.175 119.070 -0.047 0.000 2.917 480 H HA 0.827 5.383 4.556 -0.000 0.000 0.269 480 H C -1.099 174.172 175.328 -0.094 0.000 1.488 480 H CA -0.997 55.013 56.048 -0.064 0.000 1.173 480 H CB 0.540 30.257 29.762 -0.075 0.000 1.868 480 H HN 0.506 nan 8.280 nan 0.000 0.600 481 A N 0.169 123.063 122.820 0.123 0.000 2.257 481 A HA 0.478 4.798 4.320 -0.000 0.000 0.289 481 A C -0.191 177.408 177.584 0.025 0.000 1.095 481 A CA 0.032 52.050 52.037 -0.031 0.000 0.836 481 A CB -0.108 18.807 19.000 -0.141 0.000 1.111 481 A HN 0.845 nan 8.150 nan 0.000 0.497 482 D N -0.856 119.465 120.400 -0.132 0.000 2.315 482 D HA 0.096 4.736 4.640 -0.000 0.000 0.275 482 D C 0.819 176.965 176.300 -0.256 0.000 1.218 482 D CA 0.357 54.188 54.000 -0.282 0.000 1.040 482 D CB -0.154 40.467 40.800 -0.299 0.000 1.123 482 D HN 0.486 nan 8.370 nan 0.000 0.541 483 H N -1.453 117.601 119.070 -0.027 0.000 2.415 483 H HA 0.066 4.622 4.556 -0.000 0.000 0.297 483 H C 1.764 177.065 175.328 -0.045 0.000 1.048 483 H CA 0.859 56.885 56.048 -0.037 0.000 1.365 483 H CB -0.125 29.619 29.762 -0.030 0.000 1.421 483 H HN 0.409 nan 8.280 nan 0.000 0.533 484 K N 1.444 121.869 120.400 0.042 0.000 2.031 484 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 484 K C 0.371 176.947 176.600 -0.040 0.000 1.049 484 K CA 0.361 56.652 56.287 0.006 0.000 0.939 484 K CB 0.155 32.655 32.500 -0.000 0.000 0.717 484 K HN -0.065 nan 8.250 nan 0.000 0.438 485 V N 3.795 123.649 119.914 -0.099 0.000 2.508 485 V HA 0.056 4.176 4.120 -0.000 0.000 0.281 485 V C -0.110 175.875 176.094 -0.181 0.000 1.041 485 V CA 0.067 62.256 62.300 -0.186 0.000 1.016 485 V CB 1.052 32.662 31.823 -0.355 0.000 0.984 485 V HN 0.191 nan 8.190 nan 0.000 0.478 486 K N 3.359 123.677 120.400 -0.138 0.000 2.270 486 K HA 0.736 5.056 4.320 -0.000 0.000 0.255 486 K C 0.808 177.376 176.600 -0.053 0.000 0.936 486 K CA 0.077 56.311 56.287 -0.088 0.000 0.809 486 K CB 1.783 34.261 32.500 -0.037 0.000 1.131 486 K HN 0.835 nan 8.250 nan 0.000 0.427 487 G N 1.809 110.598 108.800 -0.019 0.000 2.561 487 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.203 487 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.203 487 G C -0.643 174.357 174.900 0.166 0.000 1.101 487 G CA 0.180 45.338 45.100 0.097 0.000 0.711 487 G HN 0.598 nan 8.290 nan 0.000 0.511 488 Y N -0.644 119.664 120.300 0.013 0.000 2.609 488 Y HA 0.853 5.402 4.550 -0.000 0.000 0.342 488 Y C 0.006 175.915 175.900 0.016 0.000 1.058 488 Y CA -1.263 56.847 58.100 0.016 0.000 1.055 488 Y CB 1.176 39.646 38.460 0.016 0.000 1.292 488 Y HN 0.862 nan 8.280 nan 0.000 0.476 489 A N 1.611 124.487 122.820 0.093 0.000 2.354 489 A HA 0.296 4.616 4.320 -0.000 0.000 0.281 489 A C 0.070 177.682 177.584 0.046 0.000 1.174 489 A CA -0.166 51.875 52.037 0.007 0.000 0.828 489 A CB -0.740 18.287 19.000 0.044 0.000 1.099 489 A HN 1.007 nan 8.150 nan 0.000 0.516 490 N N 1.303 119.951 118.700 -0.087 0.000 2.177 490 N HA 0.123 4.863 4.740 -0.000 0.000 0.218 490 N C -0.061 175.418 175.510 -0.052 0.000 1.182 490 N CA -0.276 52.767 53.050 -0.012 0.000 0.882 490 N CB 0.398 38.839 38.487 -0.077 0.000 1.052 490 N HN 0.670 nan 8.380 nan 0.000 0.519 491 Q N 1.164 120.899 119.800 -0.108 0.000 2.331 491 Q HA 0.306 4.646 4.340 -0.000 0.000 0.272 491 Q C -1.615 174.255 176.000 -0.217 0.000 1.062 491 Q CA -0.707 54.999 55.803 -0.162 0.000 0.806 491 Q CB 2.048 30.662 28.738 -0.207 0.000 1.312 491 Q HN 0.303 nan 8.270 nan 0.000 0.431 492 T N 1.041 115.491 114.554 -0.174 0.000 2.876 492 T HA 0.796 5.146 4.350 -0.000 0.000 0.289 492 T C -0.760 173.846 174.700 -0.156 0.000 1.014 492 T CA -0.961 61.036 62.100 -0.171 0.000 0.986 492 T CB 1.368 70.169 68.868 -0.110 0.000 1.021 492 T HN 0.740 nan 8.240 nan 0.000 0.458 493 R N 2.043 122.451 120.500 -0.154 0.000 2.673 493 R HA 0.674 5.014 4.340 -0.000 0.000 0.281 493 R C -1.171 175.083 176.300 -0.077 0.000 0.991 493 R CA -1.122 54.916 56.100 -0.104 0.000 0.896 493 R CB 1.614 31.861 30.300 -0.088 0.000 1.201 493 R HN 0.619 nan 8.270 nan 0.000 0.457 494 I N 4.144 124.672 120.570 -0.071 0.000 2.306 494 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 494 I C -0.461 175.665 176.117 0.016 0.000 1.036 494 I CA -1.087 60.175 61.300 -0.064 0.000 1.221 494 I CB 0.924 38.816 38.000 -0.181 0.000 1.385 494 I HN 0.421 nan 8.210 nan 0.000 0.472 495 L N 5.518 126.779 121.223 0.064 0.000 2.334 495 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 495 L C -0.620 176.350 176.870 0.166 0.000 1.036 495 L CA -0.800 54.098 54.840 0.096 0.000 0.807 495 L CB 0.708 42.804 42.059 0.062 0.000 1.231 495 L HN 0.367 nan 8.230 nan 0.000 0.438 496 L N 2.604 123.909 121.223 0.136 0.000 2.276 496 L HA 0.549 4.889 4.340 -0.000 0.000 0.286 496 L C -0.072 176.812 176.870 0.024 0.000 1.061 496 L CA -0.256 54.625 54.840 0.068 0.000 0.807 496 L CB 1.525 43.596 42.059 0.021 0.000 1.177 496 L HN 0.671 nan 8.230 nan 0.000 0.429 497 V N 5.845 125.761 119.914 0.003 0.000 2.555 497 V HA 0.284 4.404 4.120 -0.000 0.000 0.286 497 V C 0.360 176.447 176.094 -0.013 0.000 1.044 497 V CA -0.185 62.117 62.300 0.004 0.000 1.026 497 V CB 0.637 32.466 31.823 0.009 0.000 0.981 497 V HN 0.937 nan 8.190 nan 0.000 0.480 498 E N 0.000 120.198 120.200 -0.003 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 498 E CB 0.000 29.700 29.700 0.000 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440