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 5bca_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.599 177.584 0.025 0.000 1.274 1 A CA 0.000 51.967 52.037 -0.117 0.000 0.836 1 A CB 0.000 18.940 19.000 -0.101 0.000 0.831 2 V N 1.720 121.601 119.914 -0.055 0.000 2.901 2 V HA 0.142 4.263 4.120 0.001 0.000 0.307 2 V C 1.047 177.163 176.094 0.038 0.000 1.084 2 V CA 1.655 63.964 62.300 0.015 0.000 1.184 2 V CB 0.280 32.016 31.823 -0.145 0.000 0.941 2 V HN 1.257 nan 8.190 nan 0.000 0.493 3 N N 2.549 121.294 118.700 0.074 0.000 2.776 3 N HA -0.183 4.557 4.740 0.001 0.000 0.250 3 N C 0.843 176.424 175.510 0.118 0.000 1.112 3 N CA 1.491 54.595 53.050 0.090 0.000 0.733 3 N CB -1.340 37.185 38.487 0.064 0.000 1.097 3 N HN 1.456 nan 8.380 nan 0.000 0.558 4 G N -1.909 106.985 108.800 0.157 0.000 2.155 4 G HA2 -0.402 3.558 3.960 0.001 0.000 0.257 4 G HA3 -0.402 3.558 3.960 0.001 0.000 0.257 4 G C 0.156 175.110 174.900 0.090 0.000 0.983 4 G CA 1.297 46.499 45.100 0.169 0.000 0.676 4 G HN 0.658 nan 8.290 nan 0.000 0.528 5 K N -0.133 120.309 120.400 0.069 0.000 2.303 5 K HA 0.837 5.158 4.320 0.001 0.000 0.233 5 K C 0.894 177.500 176.600 0.011 0.000 1.046 5 K CA -0.311 56.000 56.287 0.041 0.000 0.895 5 K CB 0.199 32.723 32.500 0.040 0.000 1.220 5 K HN 0.540 nan 8.250 nan 0.000 0.470 6 G N -0.170 108.624 108.800 -0.009 0.000 2.537 6 G HA2 0.451 4.412 3.960 0.001 0.000 0.297 6 G HA3 0.451 4.412 3.960 0.001 0.000 0.297 6 G C -0.135 174.743 174.900 -0.037 0.000 1.310 6 G CA -1.135 43.939 45.100 -0.043 0.000 1.027 6 G HN 0.752 nan 8.290 nan 0.000 0.505 7 M N 0.116 119.679 119.600 -0.062 0.000 2.252 7 M HA 0.103 4.583 4.480 0.001 0.000 0.321 7 M C 0.208 176.519 176.300 0.018 0.000 1.070 7 M CA -0.212 55.077 55.300 -0.019 0.000 1.143 7 M CB 0.246 32.753 32.600 -0.154 0.000 1.498 7 M HN 0.393 nan 8.290 nan 0.000 0.445 8 N N 3.816 122.571 118.700 0.092 0.000 2.434 8 N HA 0.101 4.841 4.740 0.001 0.000 0.268 8 N C -1.777 173.789 175.510 0.094 0.000 1.256 8 N CA -1.220 51.891 53.050 0.101 0.000 0.914 8 N CB 0.710 39.298 38.487 0.167 0.000 1.088 8 N HN 0.506 nan 8.380 nan 0.000 0.478 9 P HA -0.027 nan 4.420 nan 0.000 0.234 9 P C -0.148 177.174 177.300 0.037 0.000 1.167 9 P CA 0.847 63.962 63.100 0.025 0.000 0.763 9 P CB 0.495 32.199 31.700 0.005 0.000 0.835 10 D N -1.887 118.548 120.400 0.058 0.000 2.369 10 D HA 0.007 4.647 4.640 0.001 0.000 0.211 10 D C 0.553 176.870 176.300 0.028 0.000 1.077 10 D CA -0.429 53.585 54.000 0.022 0.000 0.842 10 D CB -0.591 40.220 40.800 0.018 0.000 0.947 10 D HN 0.183 nan 8.370 nan 0.000 0.509 11 Y N 2.277 122.572 120.300 -0.007 0.000 2.811 11 Y HA -0.020 4.530 4.550 0.000 0.000 0.334 11 Y C 0.096 175.946 175.900 -0.083 0.000 1.247 11 Y CA 0.493 58.602 58.100 0.016 0.000 1.526 11 Y CB 0.312 38.839 38.460 0.113 0.000 1.284 11 Y HN -0.313 nan 8.280 nan 0.000 0.586 12 K N 3.551 123.318 120.400 -1.056 0.000 2.551 12 K HA 0.788 5.108 4.320 0.001 0.000 0.269 12 K C -1.655 174.178 176.600 -1.277 0.000 0.949 12 K CA -0.796 54.924 56.287 -0.945 0.000 0.849 12 K CB 1.942 33.992 32.500 -0.751 0.000 1.411 12 K HN 0.681 nan 8.250 nan 0.000 0.432 13 A N 1.601 123.922 122.820 -0.832 0.000 2.355 13 A HA 0.818 5.138 4.320 0.001 0.000 0.324 13 A C -1.688 175.773 177.584 -0.204 0.000 1.117 13 A CA -0.408 51.368 52.037 -0.434 0.000 0.785 13 A CB 0.545 19.561 19.000 0.027 0.000 1.254 13 A HN 0.537 nan 8.150 nan 0.000 0.453 14 Y N -0.269 120.244 120.300 0.355 0.000 2.581 14 Y HA 0.653 5.204 4.550 0.001 0.000 0.345 14 Y C -0.628 175.354 175.900 0.136 0.000 1.036 14 Y CA -1.138 57.121 58.100 0.264 0.000 1.042 14 Y CB 1.977 40.506 38.460 0.116 0.000 1.289 14 Y HN 0.627 nan 8.280 nan 0.000 0.471 15 L N 2.866 124.098 121.223 0.015 0.000 2.346 15 L HA 0.691 5.032 4.340 0.001 0.000 0.276 15 L C -0.807 175.996 176.870 -0.112 0.000 1.006 15 L CA -0.950 53.677 54.840 -0.355 0.000 0.817 15 L CB 1.563 43.039 42.059 -0.972 0.000 1.272 15 L HN 0.738 nan 8.230 nan 0.000 0.421 16 M N 4.449 123.996 119.600 -0.088 0.000 2.216 16 M HA 0.684 5.164 4.480 0.001 0.000 0.356 16 M C -0.062 176.269 176.300 0.052 0.000 1.205 16 M CA 0.122 55.401 55.300 -0.036 0.000 1.122 16 M CB 1.107 33.672 32.600 -0.058 0.000 1.571 16 M HN 0.757 nan 8.290 nan 0.000 0.464 17 A N 6.037 128.885 122.820 0.047 0.000 2.296 17 A HA 0.728 5.048 4.320 0.001 0.000 0.264 17 A C -2.477 175.107 177.584 -0.000 0.000 1.097 17 A CA -1.262 50.816 52.037 0.069 0.000 0.811 17 A CB -0.845 18.196 19.000 0.070 0.000 1.072 17 A HN 0.688 nan 8.150 nan 0.000 0.495 18 P HA 0.123 nan 4.420 nan 0.000 0.272 18 P C 0.494 177.799 177.300 0.008 0.000 1.254 18 P CA -0.408 62.662 63.100 -0.051 0.000 0.795 18 P CB 0.323 31.936 31.700 -0.146 0.000 1.022 19 L N -0.723 120.525 121.223 0.042 0.000 2.202 19 L HA 0.111 4.451 4.340 0.001 0.000 0.205 19 L C 1.046 177.960 176.870 0.073 0.000 1.083 19 L CA 1.488 56.393 54.840 0.108 0.000 0.790 19 L CB -1.245 40.866 42.059 0.086 0.000 0.942 19 L HN 0.316 nan 8.230 nan 0.000 0.452 20 K N 0.413 120.811 120.400 -0.003 0.000 2.180 20 K HA 0.110 4.430 4.320 0.001 0.000 0.251 20 K C 0.192 176.764 176.600 -0.047 0.000 1.014 20 K CA -0.436 55.823 56.287 -0.046 0.000 0.913 20 K CB 0.594 33.053 32.500 -0.068 0.000 1.008 20 K HN -0.060 nan 8.250 nan 0.000 0.490 21 K N 1.066 121.403 120.400 -0.104 0.000 2.258 21 K HA 0.033 4.353 4.320 0.001 0.000 0.264 21 K C 1.445 177.959 176.600 -0.143 0.000 1.007 21 K CA -0.476 55.729 56.287 -0.136 0.000 0.941 21 K CB 0.413 32.674 32.500 -0.398 0.000 0.966 21 K HN 0.378 nan 8.250 nan 0.000 0.480 22 I N 3.340 123.809 120.570 -0.169 0.000 2.151 22 I HA -0.192 3.978 4.170 0.001 0.000 0.243 22 I C -0.907 174.884 176.117 -0.542 0.000 1.080 22 I CA 1.440 62.407 61.300 -0.555 0.000 1.339 22 I CB -2.047 35.216 38.000 -1.228 0.000 1.039 22 I HN 0.558 nan 8.210 nan 0.000 0.409 23 P HA -0.130 nan 4.420 nan 0.000 0.225 23 P C 1.402 178.588 177.300 -0.190 0.000 1.148 23 P CA 1.251 64.144 63.100 -0.345 0.000 0.779 23 P CB -0.071 31.543 31.700 -0.142 0.000 0.780 24 E N -1.186 118.912 120.200 -0.169 0.000 2.230 24 E HA -0.025 4.325 4.350 0.001 0.000 0.192 24 E C 1.709 178.244 176.600 -0.107 0.000 0.987 24 E CA 0.472 56.803 56.400 -0.115 0.000 0.841 24 E CB -0.122 29.514 29.700 -0.106 0.000 0.783 24 E HN 0.059 nan 8.360 nan 0.000 0.481 25 V N 0.138 119.968 119.914 -0.139 0.000 2.672 25 V HA -0.008 4.112 4.120 0.001 0.000 0.242 25 V C 0.899 176.950 176.094 -0.072 0.000 1.059 25 V CA 1.517 63.761 62.300 -0.093 0.000 1.081 25 V CB 0.745 32.509 31.823 -0.099 0.000 0.752 25 V HN 0.274 nan 8.190 nan 0.000 0.472 26 T N -0.519 113.957 114.554 -0.130 0.000 2.605 26 T HA 0.398 4.748 4.350 0.001 0.000 0.216 26 T C -1.227 173.376 174.700 -0.162 0.000 0.812 26 T CA -0.336 61.715 62.100 -0.082 0.000 1.352 26 T CB 0.758 69.630 68.868 0.007 0.000 1.694 26 T HN 0.400 nan 8.240 nan 0.000 0.440 27 N N -1.199 117.412 118.700 -0.149 0.000 2.416 27 N HA 0.364 5.104 4.740 0.001 0.000 0.276 27 N C -0.366 175.056 175.510 -0.146 0.000 1.261 27 N CA -1.101 51.840 53.050 -0.183 0.000 0.790 27 N CB 0.422 38.893 38.487 -0.027 0.000 1.554 27 N HN 0.678 nan 8.380 nan 0.000 0.481 28 W N 0.018 121.358 121.300 0.066 0.000 2.325 28 W HA -0.120 4.540 4.660 0.001 0.000 0.299 28 W C 1.352 177.965 176.519 0.157 0.000 1.215 28 W CA 1.069 58.478 57.345 0.107 0.000 1.244 28 W CB -0.105 29.395 29.460 0.066 0.000 1.140 28 W HN 0.639 nan 8.180 nan 0.000 0.523 29 E N -0.785 119.587 120.200 0.286 0.000 2.107 29 E HA -0.114 4.236 4.350 0.001 0.000 0.191 29 E C 2.081 178.783 176.600 0.171 0.000 0.982 29 E CA 1.833 58.353 56.400 0.202 0.000 0.809 29 E CB -0.923 28.862 29.700 0.141 0.000 0.756 29 E HN 0.059 nan 8.360 nan 0.000 0.459 30 T N 0.753 115.402 114.554 0.158 0.000 2.915 30 T HA -0.085 4.265 4.350 0.001 0.000 0.269 30 T C 1.363 176.198 174.700 0.226 0.000 1.071 30 T CA 0.654 62.846 62.100 0.153 0.000 1.132 30 T CB -0.311 68.635 68.868 0.130 0.000 0.878 30 T HN 0.120 nan 8.240 nan 0.000 0.479 31 F N 2.374 122.368 119.950 0.073 0.000 2.134 31 F HA -0.041 4.486 4.527 0.000 0.000 0.299 31 F C 2.116 177.974 175.800 0.097 0.000 1.097 31 F CA 1.144 59.194 58.000 0.084 0.000 1.264 31 F CB -0.413 38.588 39.000 0.002 0.000 1.001 31 F HN 0.184 nan 8.300 nan 0.000 0.479 32 E N -0.184 120.065 120.200 0.081 0.000 2.118 32 E HA -0.224 4.126 4.350 0.001 0.000 0.195 32 E C 1.880 178.464 176.600 -0.027 0.000 0.992 32 E CA 1.209 57.578 56.400 -0.051 0.000 0.804 32 E CB -0.244 29.485 29.700 0.049 0.000 0.741 32 E HN 0.436 nan 8.360 nan 0.000 0.458 33 N N 0.991 119.717 118.700 0.043 0.000 2.135 33 N HA -0.116 4.624 4.740 0.001 0.000 0.186 33 N C 1.333 176.889 175.510 0.077 0.000 1.027 33 N CA 0.975 54.056 53.050 0.052 0.000 0.849 33 N CB -0.250 38.268 38.487 0.053 0.000 1.002 33 N HN 0.116 nan 8.380 nan 0.000 0.425 34 D N 1.172 121.628 120.400 0.094 0.000 2.133 34 D HA -0.118 4.522 4.640 0.001 0.000 0.195 34 D C 2.135 178.457 176.300 0.036 0.000 0.997 34 D CA 0.584 54.657 54.000 0.122 0.000 0.840 34 D CB -0.324 40.587 40.800 0.184 0.000 0.947 34 D HN 0.247 nan 8.370 nan 0.000 0.452 35 L N 0.210 121.363 121.223 -0.116 0.000 2.056 35 L HA -0.106 4.235 4.340 0.001 0.000 0.207 35 L C 2.617 179.465 176.870 -0.036 0.000 1.078 35 L CA 0.985 55.728 54.840 -0.162 0.000 0.749 35 L CB -0.234 41.626 42.059 -0.332 0.000 0.901 35 L HN -0.046 nan 8.230 nan 0.000 0.433 36 R N -0.748 119.757 120.500 0.008 0.000 2.091 36 R HA -0.243 4.097 4.340 0.001 0.000 0.238 36 R C 2.173 178.578 176.300 0.176 0.000 1.136 36 R CA 2.114 58.256 56.100 0.070 0.000 0.959 36 R CB -0.539 29.804 30.300 0.072 0.000 0.856 36 R HN 0.556 nan 8.270 nan 0.000 0.437 37 W N 1.206 122.497 121.300 -0.015 0.000 2.353 37 W HA -0.243 4.418 4.660 0.001 0.000 0.319 37 W C 2.113 178.658 176.519 0.043 0.000 1.207 37 W CA 1.125 58.475 57.345 0.009 0.000 1.291 37 W CB -0.226 29.231 29.460 -0.005 0.000 1.159 37 W HN 0.169 nan 8.180 nan 0.000 0.478 38 A N 0.974 123.796 122.820 0.004 0.000 1.927 38 A HA -0.347 3.973 4.320 0.001 0.000 0.220 38 A C 1.944 179.595 177.584 0.112 0.000 1.185 38 A CA 2.549 54.579 52.037 -0.012 0.000 0.639 38 A CB -1.135 17.799 19.000 -0.109 0.000 0.820 38 A HN 0.477 nan 8.150 nan 0.000 0.451 39 K N -1.263 119.178 120.400 0.068 0.000 2.148 39 K HA -0.194 4.127 4.320 0.001 0.000 0.204 39 K C 2.173 178.789 176.600 0.026 0.000 1.050 39 K CA 1.480 57.808 56.287 0.069 0.000 0.942 39 K CB -0.133 32.392 32.500 0.043 0.000 0.724 39 K HN 0.377 nan 8.250 nan 0.000 0.446 40 Q N 0.950 120.749 119.800 -0.003 0.000 2.170 40 Q HA -0.038 4.302 4.340 0.001 0.000 0.203 40 Q C 0.719 176.637 176.000 -0.136 0.000 0.976 40 Q CA 1.324 57.106 55.803 -0.034 0.000 0.858 40 Q CB 0.073 28.816 28.738 0.008 0.000 0.907 40 Q HN 0.307 nan 8.270 nan 0.000 0.433 41 N N -1.127 117.442 118.700 -0.218 0.000 2.295 41 N HA 0.127 4.867 4.740 0.001 0.000 0.221 41 N C 0.220 175.605 175.510 -0.209 0.000 1.129 41 N CA 0.738 53.630 53.050 -0.263 0.000 0.836 41 N CB 0.903 39.149 38.487 -0.402 0.000 1.040 41 N HN 0.377 nan 8.380 nan 0.000 0.494 42 G N 0.604 109.337 108.800 -0.112 0.000 2.179 42 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 42 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 42 G C -0.038 174.845 174.900 -0.029 0.000 0.977 42 G CA -0.223 44.825 45.100 -0.087 0.000 0.641 42 G HN 0.278 nan 8.290 nan 0.000 0.533 43 F N -0.351 119.636 119.950 0.063 0.000 2.443 43 F HA 0.554 5.081 4.527 0.000 0.000 0.353 43 F C 1.268 177.142 175.800 0.124 0.000 1.101 43 F CA -0.323 57.729 58.000 0.087 0.000 1.226 43 F CB 0.734 39.746 39.000 0.019 0.000 1.140 43 F HN 0.056 nan 8.300 nan 0.000 0.557 44 Y N 2.099 122.539 120.300 0.233 0.000 2.479 44 Y HA 0.563 5.114 4.550 0.001 0.000 0.283 44 Y C 0.521 176.567 175.900 0.243 0.000 1.109 44 Y CA 0.514 58.726 58.100 0.186 0.000 1.239 44 Y CB 0.298 38.841 38.460 0.138 0.000 1.108 44 Y HN 0.518 nan 8.280 nan 0.000 0.548 45 A N 0.008 123.084 122.820 0.426 0.000 2.606 45 A HA 0.532 4.852 4.320 0.001 0.000 0.293 45 A C -2.034 175.663 177.584 0.188 0.000 1.082 45 A CA -0.653 51.521 52.037 0.228 0.000 0.685 45 A CB 0.567 19.706 19.000 0.232 0.000 1.284 45 A HN 0.188 nan 8.150 nan 0.000 0.408 46 I N 1.209 121.845 120.570 0.111 0.000 2.339 46 I HA 0.527 4.697 4.170 0.001 0.000 0.290 46 I C -0.239 175.928 176.117 0.084 0.000 0.994 46 I CA 0.331 61.704 61.300 0.121 0.000 1.191 46 I CB 1.526 39.663 38.000 0.227 0.000 1.343 46 I HN 0.578 nan 8.210 nan 0.000 0.458 47 T N 6.904 121.461 114.554 0.005 0.000 2.845 47 T HA 0.511 4.861 4.350 0.001 0.000 0.288 47 T C -0.781 173.813 174.700 -0.177 0.000 0.980 47 T CA -0.334 61.708 62.100 -0.097 0.000 1.071 47 T CB 1.375 70.177 68.868 -0.110 0.000 0.941 47 T HN 0.448 nan 8.240 nan 0.000 0.487 48 V N 3.099 122.793 119.914 -0.366 0.000 2.851 48 V HA 0.355 4.475 4.120 0.001 0.000 0.307 48 V C -1.402 174.202 176.094 -0.815 0.000 1.129 48 V CA -0.993 60.951 62.300 -0.593 0.000 0.932 48 V CB 2.267 33.538 31.823 -0.920 0.000 1.024 48 V HN 0.832 nan 8.190 nan 0.000 0.426 49 D N 5.213 125.164 120.400 -0.748 0.000 2.348 49 D HA 0.275 4.915 4.640 0.001 0.000 0.253 49 D C -0.928 174.752 176.300 -1.033 0.000 1.161 49 D CA 0.579 54.031 54.000 -0.914 0.000 0.876 49 D CB 0.970 41.144 40.800 -1.043 0.000 1.160 49 D HN 0.344 nan 8.370 nan 0.000 0.459 50 F N 2.094 121.702 119.950 -0.569 0.000 2.332 50 F HA 0.251 4.778 4.527 0.000 0.000 0.368 50 F C -0.047 175.534 175.800 -0.366 0.000 1.110 50 F CA -1.193 56.613 58.000 -0.322 0.000 1.087 50 F CB 0.354 39.327 39.000 -0.046 0.000 1.235 50 F HN 0.194 nan 8.300 nan 0.000 0.470 51 W N 3.868 125.276 121.300 0.180 0.000 2.251 51 W HA 0.038 4.698 4.660 0.000 0.000 0.327 51 W C 1.116 177.758 176.519 0.204 0.000 1.361 51 W CA -0.526 56.876 57.345 0.095 0.000 1.234 51 W CB 0.297 29.768 29.460 0.017 0.000 1.212 51 W HN 0.667 nan 8.180 nan 0.000 0.557 52 W N 3.016 124.415 121.300 0.164 0.000 2.321 52 W HA -0.205 4.455 4.660 0.000 0.000 0.306 52 W C 1.929 178.527 176.519 0.131 0.000 1.217 52 W CA 2.355 59.770 57.345 0.117 0.000 1.257 52 W CB -1.091 28.386 29.460 0.029 0.000 1.145 52 W HN 0.480 nan 8.180 nan 0.000 0.509 53 G N -0.459 108.459 108.800 0.197 0.000 2.498 53 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 53 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 53 G C 1.201 176.156 174.900 0.092 0.000 1.119 53 G CA 1.293 46.398 45.100 0.009 0.000 0.766 53 G HN 0.267 nan 8.290 nan 0.000 0.552 54 D N -0.215 120.310 120.400 0.208 0.000 2.323 54 D HA 0.100 4.740 4.640 0.001 0.000 0.218 54 D C 2.553 178.951 176.300 0.164 0.000 0.973 54 D CA 0.238 54.340 54.000 0.170 0.000 0.890 54 D CB -0.044 40.887 40.800 0.218 0.000 1.011 54 D HN 0.265 nan 8.370 nan 0.000 0.499 55 M N -0.032 119.709 119.600 0.234 0.000 2.492 55 M HA -0.001 4.479 4.480 0.001 0.000 0.262 55 M C 0.836 177.260 176.300 0.207 0.000 1.090 55 M CA 0.981 56.370 55.300 0.148 0.000 1.110 55 M CB 0.401 33.150 32.600 0.247 0.000 1.407 55 M HN -0.154 nan 8.290 nan 0.000 0.470 56 E N -0.058 120.331 120.200 0.316 0.000 3.521 56 E HA 0.054 4.405 4.350 0.001 0.000 0.183 56 E C 0.885 177.661 176.600 0.293 0.000 0.981 56 E CA -0.092 56.498 56.400 0.317 0.000 1.349 56 E CB 0.578 30.655 29.700 0.629 0.000 1.102 56 E HN 0.154 nan 8.360 nan 0.000 0.449 57 K N 0.496 121.001 120.400 0.174 0.000 1.991 57 K HA -0.164 4.157 4.320 0.001 0.000 0.212 57 K C 1.010 177.746 176.600 0.226 0.000 1.049 57 K CA 2.163 58.541 56.287 0.152 0.000 0.932 57 K CB 0.071 32.615 32.500 0.073 0.000 0.717 57 K HN 0.175 nan 8.250 nan 0.000 0.441 58 N N -0.687 118.063 118.700 0.084 0.000 2.457 58 N HA 0.054 4.794 4.740 0.001 0.000 0.180 58 N C 0.456 175.847 175.510 -0.198 0.000 1.050 58 N CA 0.638 53.691 53.050 0.006 0.000 0.906 58 N CB 0.720 39.185 38.487 -0.037 0.000 0.968 58 N HN 0.322 nan 8.380 nan 0.000 0.445 59 G N -0.484 108.027 108.800 -0.482 0.000 2.313 59 G HA2 0.056 4.017 3.960 0.001 0.000 0.296 59 G HA3 0.056 4.017 3.960 0.001 0.000 0.296 59 G C -2.065 172.036 174.900 -1.332 0.000 1.356 59 G CA -0.990 43.294 45.100 -1.360 0.000 0.833 59 G HN -0.027 nan 8.290 nan 0.000 0.552 60 D N 0.686 120.109 120.400 -1.627 0.000 2.472 60 D HA 0.345 4.985 4.640 0.001 0.000 0.248 60 D C 0.965 176.917 176.300 -0.580 0.000 1.174 60 D CA 1.131 54.525 54.000 -1.011 0.000 0.883 60 D CB 0.451 40.808 40.800 -0.739 0.000 1.149 60 D HN 0.474 nan 8.370 nan 0.000 0.488 61 Q N 1.445 120.880 119.800 -0.609 0.000 2.424 61 Q HA -0.238 4.103 4.340 0.001 0.000 0.234 61 Q C -0.626 174.916 176.000 -0.763 0.000 0.748 61 Q CA 0.856 56.197 55.803 -0.771 0.000 1.286 61 Q CB -1.784 26.810 28.738 -0.240 0.000 1.494 61 Q HN 0.774 nan 8.270 nan 0.000 0.683 62 Q N 0.342 119.755 119.800 -0.646 0.000 2.771 62 Q HA 0.371 4.712 4.340 0.001 0.000 0.239 62 Q C -0.313 175.525 176.000 -0.270 0.000 1.231 62 Q CA -0.202 55.394 55.803 -0.345 0.000 1.056 62 Q CB 0.086 28.670 28.738 -0.257 0.000 1.284 62 Q HN 0.043 nan 8.270 nan 0.000 0.558 63 F N 1.115 121.048 119.950 -0.028 0.000 2.380 63 F HA 0.214 4.742 4.527 0.001 0.000 0.325 63 F C 0.771 176.421 175.800 -0.250 0.000 1.136 63 F CA -0.553 57.339 58.000 -0.179 0.000 1.171 63 F CB 0.726 39.676 39.000 -0.083 0.000 1.230 63 F HN 0.232 nan 8.300 nan 0.000 0.554 64 D N 1.279 121.520 120.400 -0.266 0.000 2.445 64 D HA 0.172 4.812 4.640 0.001 0.000 0.236 64 D C -0.813 175.306 176.300 -0.302 0.000 1.315 64 D CA -0.261 53.642 54.000 -0.161 0.000 0.924 64 D CB -0.259 40.520 40.800 -0.035 0.000 1.447 64 D HN 0.216 nan 8.370 nan 0.000 0.532 65 F N 1.158 121.177 119.950 0.115 0.000 2.645 65 F HA 0.103 4.631 4.527 0.000 0.000 0.300 65 F C 2.385 178.171 175.800 -0.023 0.000 1.115 65 F CA 0.047 58.058 58.000 0.019 0.000 1.355 65 F CB 0.146 39.107 39.000 -0.066 0.000 1.026 65 F HN 0.269 nan 8.300 nan 0.000 0.536 66 S N -0.891 114.882 115.700 0.121 0.000 2.406 66 S HA -0.253 4.218 4.470 0.001 0.000 0.228 66 S C 2.035 176.682 174.600 0.079 0.000 1.020 66 S CA 0.771 59.027 58.200 0.092 0.000 0.965 66 S CB -0.930 62.324 63.200 0.091 0.000 0.798 66 S HN 0.494 nan 8.310 nan 0.000 0.488 67 Y N 2.593 122.915 120.300 0.036 0.000 2.242 67 Y HA 0.180 4.731 4.550 0.000 0.000 0.291 67 Y C 2.544 178.450 175.900 0.010 0.000 1.137 67 Y CA 0.711 58.867 58.100 0.094 0.000 1.181 67 Y CB -0.900 37.669 38.460 0.183 0.000 0.989 67 Y HN 0.335 nan 8.280 nan 0.000 0.527 68 A N 0.211 122.856 122.820 -0.292 0.000 1.873 68 A HA -0.220 4.100 4.320 0.001 0.000 0.215 68 A C 2.153 179.429 177.584 -0.512 0.000 1.186 68 A CA 1.854 53.415 52.037 -0.793 0.000 0.616 68 A CB -0.767 17.649 19.000 -0.974 0.000 0.823 68 A HN 0.635 nan 8.150 nan 0.000 0.442 69 Q N -1.259 118.329 119.800 -0.352 0.000 2.084 69 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 69 Q C 2.412 178.129 176.000 -0.472 0.000 0.978 69 Q CA 1.637 57.202 55.803 -0.397 0.000 0.844 69 Q CB -0.137 28.552 28.738 -0.081 0.000 0.898 69 Q HN 0.510 nan 8.270 nan 0.000 0.426 70 R N 0.533 120.803 120.500 -0.383 0.000 2.070 70 R HA -0.163 4.178 4.340 0.001 0.000 0.232 70 R C 1.819 177.731 176.300 -0.647 0.000 1.138 70 R CA 1.550 57.328 56.100 -0.536 0.000 0.936 70 R CB -1.103 28.863 30.300 -0.557 0.000 0.839 70 R HN 0.250 nan 8.270 nan 0.000 0.429 71 F N 0.864 120.407 119.950 -0.677 0.000 2.063 71 F HA -0.252 4.276 4.527 0.001 0.000 0.298 71 F C 2.028 177.747 175.800 -0.136 0.000 1.109 71 F CA 2.183 60.031 58.000 -0.253 0.000 1.212 71 F CB -0.944 38.004 39.000 -0.087 0.000 0.973 71 F HN 0.164 nan 8.300 nan 0.000 0.480 72 A N -0.467 122.349 122.820 -0.007 0.000 1.902 72 A HA -0.276 4.044 4.320 0.001 0.000 0.217 72 A C 2.094 179.528 177.584 -0.250 0.000 1.181 72 A CA 1.805 53.748 52.037 -0.156 0.000 0.623 72 A CB -1.055 17.622 19.000 -0.539 0.000 0.818 72 A HN 0.541 nan 8.150 nan 0.000 0.443 73 Q N 0.169 119.745 119.800 -0.374 0.000 2.135 73 Q HA -0.112 4.229 4.340 0.001 0.000 0.204 73 Q C 2.167 178.103 176.000 -0.107 0.000 0.981 73 Q CA 2.222 57.929 55.803 -0.160 0.000 0.856 73 Q CB -0.513 28.146 28.738 -0.131 0.000 0.902 73 Q HN 0.537 nan 8.270 nan 0.000 0.425 74 S N -1.118 114.500 115.700 -0.137 0.000 2.368 74 S HA -0.088 4.382 4.470 0.001 0.000 0.224 74 S C 1.848 176.418 174.600 -0.050 0.000 1.029 74 S CA 1.023 59.213 58.200 -0.017 0.000 0.988 74 S CB -0.317 63.018 63.200 0.224 0.000 0.838 74 S HN 0.287 nan 8.310 nan 0.000 0.462 75 V N 1.945 121.814 119.914 -0.075 0.000 2.282 75 V HA -0.258 3.862 4.120 0.001 0.000 0.249 75 V C 2.356 178.419 176.094 -0.052 0.000 1.057 75 V CA 2.167 64.414 62.300 -0.089 0.000 1.032 75 V CB -0.520 31.314 31.823 0.018 0.000 0.645 75 V HN 0.441 nan 8.190 nan 0.000 0.447 76 K N 0.024 120.414 120.400 -0.018 0.000 2.148 76 K HA -0.153 4.168 4.320 0.001 0.000 0.204 76 K C 1.921 178.519 176.600 -0.003 0.000 1.050 76 K CA 1.442 57.735 56.287 0.010 0.000 0.942 76 K CB -0.175 32.361 32.500 0.061 0.000 0.724 76 K HN 0.421 nan 8.250 nan 0.000 0.446 77 N N 0.588 119.281 118.700 -0.012 0.000 2.166 77 N HA -0.132 4.608 4.740 0.001 0.000 0.186 77 N C 1.253 176.754 175.510 -0.016 0.000 1.019 77 N CA 1.447 54.493 53.050 -0.006 0.000 0.856 77 N CB -0.225 38.264 38.487 0.003 0.000 0.993 77 N HN 0.322 nan 8.380 nan 0.000 0.426 78 A N -0.591 122.203 122.820 -0.044 0.000 2.251 78 A HA 0.435 4.755 4.320 0.001 0.000 0.209 78 A C 1.425 178.983 177.584 -0.043 0.000 1.187 78 A CA 0.697 52.701 52.037 -0.055 0.000 0.823 78 A CB -0.335 18.592 19.000 -0.123 0.000 0.846 78 A HN 0.298 nan 8.150 nan 0.000 0.486 79 G N -1.528 107.251 108.800 -0.036 0.000 2.143 79 G HA2 -0.240 3.720 3.960 0.001 0.000 0.248 79 G HA3 -0.240 3.720 3.960 0.001 0.000 0.248 79 G C 0.248 175.114 174.900 -0.056 0.000 0.991 79 G CA 0.725 45.806 45.100 -0.032 0.000 0.689 79 G HN 0.304 nan 8.290 nan 0.000 0.522 80 M N -0.823 118.732 119.600 -0.074 0.000 2.531 80 M HA 0.561 5.041 4.480 0.001 0.000 0.262 80 M C 0.786 177.020 176.300 -0.109 0.000 1.168 80 M CA -0.079 55.158 55.300 -0.104 0.000 0.926 80 M CB 1.046 33.588 32.600 -0.098 0.000 1.445 80 M HN 0.110 nan 8.290 nan 0.000 0.531 81 K N 0.838 121.153 120.400 -0.141 0.000 2.395 81 K HA 0.771 5.091 4.320 0.001 0.000 0.245 81 K C -0.910 175.687 176.600 -0.006 0.000 1.017 81 K CA -0.739 55.488 56.287 -0.100 0.000 0.852 81 K CB 2.789 35.155 32.500 -0.224 0.000 1.311 81 K HN 0.712 nan 8.250 nan 0.000 0.452 82 M N -0.485 119.140 119.600 0.041 0.000 2.575 82 M HA 0.571 5.051 4.480 0.001 0.000 0.284 82 M C -1.457 174.845 176.300 0.004 0.000 1.253 82 M CA -0.899 54.453 55.300 0.087 0.000 0.861 82 M CB 1.747 34.487 32.600 0.233 0.000 1.733 82 M HN 0.455 nan 8.290 nan 0.000 0.462 83 I N 2.876 123.416 120.570 -0.051 0.000 2.420 83 I HA 0.449 4.619 4.170 0.001 0.000 0.282 83 I C -2.459 173.579 176.117 -0.131 0.000 1.019 83 I CA -1.878 59.351 61.300 -0.117 0.000 1.130 83 I CB 1.961 39.857 38.000 -0.172 0.000 1.262 83 I HN 0.455 nan 8.210 nan 0.000 0.454 84 P HA 0.363 nan 4.420 nan 0.000 0.278 84 P C -0.686 176.465 177.300 -0.247 0.000 1.238 84 P CA -0.199 62.787 63.100 -0.189 0.000 0.794 84 P CB 1.127 32.897 31.700 0.117 0.000 0.955 85 I N 3.119 123.478 120.570 -0.352 0.000 2.362 85 I HA 0.326 4.497 4.170 0.001 0.000 0.289 85 I C 0.381 176.270 176.117 -0.380 0.000 0.994 85 I CA -0.938 60.175 61.300 -0.311 0.000 1.158 85 I CB 1.112 38.900 38.000 -0.353 0.000 1.315 85 I HN 0.128 nan 8.210 nan 0.000 0.451 86 I N 5.528 125.873 120.570 -0.376 0.000 2.357 86 I HA 0.039 4.210 4.170 0.001 0.000 0.300 86 I C 0.369 176.344 176.117 -0.236 0.000 1.159 86 I CA 0.396 61.485 61.300 -0.353 0.000 1.339 86 I CB -0.123 37.649 38.000 -0.379 0.000 1.458 86 I HN 0.511 nan 8.210 nan 0.000 0.577 87 S N 3.560 119.076 115.700 -0.306 0.000 3.072 87 S HA 0.053 4.523 4.470 0.001 0.000 0.306 87 S C 1.326 175.868 174.600 -0.097 0.000 1.207 87 S CA -0.570 57.423 58.200 -0.345 0.000 1.008 87 S CB -0.288 62.308 63.200 -1.007 0.000 1.390 87 S HN 0.753 nan 8.310 nan 0.000 0.523 88 T N -0.088 114.481 114.554 0.024 0.000 3.439 88 T HA 0.020 4.371 4.350 0.001 0.000 0.251 88 T C 0.534 175.480 174.700 0.410 0.000 1.108 88 T CA -0.169 62.053 62.100 0.204 0.000 0.982 88 T CB -0.669 68.003 68.868 -0.327 0.000 1.024 88 T HN 0.753 nan 8.240 nan 0.000 0.573 89 H N -1.185 118.076 119.070 0.318 0.000 2.864 89 H HA 0.524 5.081 4.556 0.001 0.000 0.354 89 H C -0.690 174.862 175.328 0.374 0.000 1.208 89 H CA -1.201 55.040 56.048 0.322 0.000 1.191 89 H CB 1.127 31.043 29.762 0.256 0.000 1.889 89 H HN 0.230 nan 8.280 nan 0.000 0.574 90 Q N 0.598 120.606 119.800 0.346 0.000 2.314 90 Q HA 0.302 4.642 4.340 0.001 0.000 0.258 90 Q C -0.959 175.102 176.000 0.102 0.000 0.954 90 Q CA -0.547 55.351 55.803 0.159 0.000 0.890 90 Q CB 0.875 29.680 28.738 0.112 0.000 1.210 90 Q HN 0.576 nan 8.270 nan 0.000 0.410 91 c N 4.864 123.268 118.600 -0.327 0.000 2.307 91 c HA 0.737 5.307 4.570 0.001 0.000 0.340 91 c C 1.073 174.968 174.090 -0.325 0.000 1.275 91 c CA 0.879 56.848 56.329 -0.601 0.000 1.811 91 c CB -0.941 40.408 42.510 -1.934 0.000 2.372 91 c HN 1.114 nan 8.230 nan 0.000 0.531 92 G N 4.177 112.890 108.800 -0.147 0.000 2.594 92 G HA2 0.229 4.189 3.960 0.001 0.000 0.297 92 G HA3 0.229 4.189 3.960 0.001 0.000 0.297 92 G C 0.907 175.758 174.900 -0.082 0.000 1.273 92 G CA 0.749 45.790 45.100 -0.099 0.000 0.974 92 G HN 2.515 nan 8.290 nan 0.000 0.552 93 G N -1.895 106.855 108.800 -0.083 0.000 2.205 93 G HA2 -0.027 3.933 3.960 0.001 0.000 0.180 93 G HA3 -0.027 3.933 3.960 0.001 0.000 0.180 93 G C -0.144 174.727 174.900 -0.049 0.000 1.004 93 G CA 0.811 45.871 45.100 -0.067 0.000 0.670 93 G HN 1.714 nan 8.290 nan 0.000 0.496 94 N N 0.149 118.824 118.700 -0.042 0.000 2.352 94 N HA 0.563 5.304 4.740 0.001 0.000 0.291 94 N C -0.132 175.358 175.510 -0.033 0.000 1.040 94 N CA -0.962 52.069 53.050 -0.032 0.000 0.864 94 N CB 3.017 41.492 38.487 -0.021 0.000 1.440 94 N HN 0.062 nan 8.380 nan 0.000 0.483 95 V N 1.265 121.160 119.914 -0.032 0.000 3.032 95 V HA 0.272 4.393 4.120 0.001 0.000 0.307 95 V C 1.531 177.610 176.094 -0.025 0.000 1.097 95 V CA 1.392 63.673 62.300 -0.032 0.000 1.191 95 V CB 0.651 32.456 31.823 -0.031 0.000 0.964 95 V HN 1.138 nan 8.190 nan 0.000 0.494 96 G N 2.616 111.400 108.800 -0.026 0.000 2.259 96 G HA2 -0.168 3.793 3.960 0.001 0.000 0.217 96 G HA3 -0.168 3.793 3.960 0.001 0.000 0.217 96 G C -0.059 174.829 174.900 -0.022 0.000 1.001 96 G CA 0.008 45.096 45.100 -0.020 0.000 0.627 96 G HN 0.660 nan 8.290 nan 0.000 0.501 97 D N 0.679 121.061 120.400 -0.030 0.000 2.372 97 D HA 0.450 5.090 4.640 0.001 0.000 0.243 97 D C 0.824 177.097 176.300 -0.046 0.000 1.121 97 D CA -0.339 53.640 54.000 -0.036 0.000 0.898 97 D CB 1.070 41.840 40.800 -0.049 0.000 1.202 97 D HN 0.034 nan 8.370 nan 0.000 0.428 98 D N -0.537 119.836 120.400 -0.046 0.000 2.323 98 D HA 0.016 4.656 4.640 0.001 0.000 0.209 98 D C 0.375 176.620 176.300 -0.092 0.000 0.973 98 D CA 0.355 54.324 54.000 -0.051 0.000 0.874 98 D CB 0.233 41.018 40.800 -0.026 0.000 0.930 98 D HN 0.489 nan 8.370 nan 0.000 0.521 99 c N -1.357 117.163 118.600 -0.132 0.000 3.108 99 c HA 0.795 5.365 4.570 0.001 0.000 0.321 99 c C -0.662 173.295 174.090 -0.222 0.000 1.357 99 c CA -1.065 55.131 56.329 -0.221 0.000 1.562 99 c CB 1.621 43.923 42.510 -0.348 0.000 2.003 99 c HN 0.090 nan 8.230 nan 0.000 0.460 100 N N -0.088 118.448 118.700 -0.273 0.000 2.969 100 N HA 0.398 5.139 4.740 0.001 0.000 0.230 100 N C -1.698 173.646 175.510 -0.277 0.000 1.397 100 N CA -0.104 52.808 53.050 -0.229 0.000 0.762 100 N CB 1.247 39.645 38.487 -0.149 0.000 1.495 100 N HN 0.746 nan 8.380 nan 0.000 0.583 101 V N 4.589 124.277 119.914 -0.376 0.000 2.467 101 V HA 0.408 4.528 4.120 0.001 0.000 0.260 101 V C -2.021 173.933 176.094 -0.233 0.000 0.963 101 V CA -1.138 60.949 62.300 -0.355 0.000 0.856 101 V CB 1.141 32.596 31.823 -0.613 0.000 1.087 101 V HN 0.407 nan 8.190 nan 0.000 0.467 102 P HA 0.195 nan 4.420 nan 0.000 0.271 102 P C 0.371 177.630 177.300 -0.069 0.000 1.238 102 P CA 0.018 63.085 63.100 -0.055 0.000 0.794 102 P CB 1.110 32.794 31.700 -0.028 0.000 0.959 103 I N -2.610 117.924 120.570 -0.060 0.000 3.138 103 I HA 0.317 4.487 4.170 0.001 0.000 0.288 103 I C -2.223 173.582 176.117 -0.520 0.000 1.148 103 I CA -2.781 58.323 61.300 -0.327 0.000 1.315 103 I CB -1.020 36.719 38.000 -0.435 0.000 1.426 103 I HN 0.070 nan 8.210 nan 0.000 0.615 104 P HA -0.024 nan 4.420 nan 0.000 0.258 104 P C 0.714 177.469 177.300 -0.908 0.000 1.187 104 P CA 0.219 62.782 63.100 -0.894 0.000 0.767 104 P CB 0.668 31.617 31.700 -1.251 0.000 0.770 105 S N 4.032 119.492 115.700 -0.400 0.000 2.419 105 S HA -0.166 4.304 4.470 0.001 0.000 0.235 105 S C 1.526 176.049 174.600 -0.128 0.000 1.019 105 S CA 0.645 58.777 58.200 -0.114 0.000 0.982 105 S CB -1.042 62.178 63.200 0.033 0.000 0.789 105 S HN 0.664 nan 8.310 nan 0.000 0.490 106 W N 1.192 122.429 121.300 -0.104 0.000 2.678 106 W HA 0.201 4.861 4.660 0.000 0.000 0.256 106 W C 1.278 177.716 176.519 -0.134 0.000 1.280 106 W CA 0.352 57.649 57.345 -0.080 0.000 1.345 106 W CB -0.959 28.451 29.460 -0.084 0.000 1.118 106 W HN 0.146 nan 8.180 nan 0.000 0.629 107 V N 0.927 120.237 119.914 -1.008 0.000 2.490 107 V HA -0.292 3.829 4.120 0.001 0.000 0.250 107 V C 2.103 177.927 176.094 -0.450 0.000 1.061 107 V CA 2.204 63.971 62.300 -0.889 0.000 1.064 107 V CB -1.099 29.905 31.823 -1.365 0.000 0.670 107 V HN 0.184 nan 8.190 nan 0.000 0.461 108 W N 0.464 121.667 121.300 -0.162 0.000 2.363 108 W HA -0.109 4.551 4.660 0.000 0.000 0.296 108 W C 2.266 178.787 176.519 0.003 0.000 1.212 108 W CA 0.737 58.048 57.345 -0.056 0.000 1.260 108 W CB -0.656 28.768 29.460 -0.060 0.000 1.131 108 W HN 0.255 nan 8.180 nan 0.000 0.530 109 N N 0.609 119.436 118.700 0.211 0.000 2.573 109 N HA -0.139 4.602 4.740 0.001 0.000 0.187 109 N C 1.324 176.912 175.510 0.130 0.000 1.107 109 N CA 0.836 53.984 53.050 0.164 0.000 0.918 109 N CB -0.590 37.989 38.487 0.153 0.000 0.966 109 N HN 0.464 nan 8.380 nan 0.000 0.448 110 Q N -0.173 119.698 119.800 0.117 0.000 2.439 110 Q HA 0.004 4.345 4.340 0.001 0.000 0.211 110 Q C -0.211 175.823 176.000 0.058 0.000 0.978 110 Q CA 1.015 56.873 55.803 0.091 0.000 0.897 110 Q CB 0.327 29.115 28.738 0.083 0.000 0.956 110 Q HN 0.146 nan 8.270 nan 0.000 0.483 111 K N -1.253 119.185 120.400 0.062 0.000 2.508 111 K HA 0.210 4.530 4.320 0.001 0.000 0.260 111 K C -0.151 176.479 176.600 0.049 0.000 0.949 111 K CA -0.235 56.067 56.287 0.025 0.000 0.834 111 K CB 1.954 34.434 32.500 -0.034 0.000 1.365 111 K HN -0.135 nan 8.250 nan 0.000 0.437 112 S N -1.491 114.226 115.700 0.028 0.000 2.578 112 S HA 0.065 4.536 4.470 0.001 0.000 0.231 112 S C 0.253 174.875 174.600 0.036 0.000 0.994 112 S CA -0.316 57.911 58.200 0.045 0.000 0.956 112 S CB -0.183 63.042 63.200 0.042 0.000 0.870 112 S HN 0.621 nan 8.310 nan 0.000 0.494 113 D N 1.753 122.150 120.400 -0.005 0.000 2.567 113 D HA 0.307 4.947 4.640 0.001 0.000 0.275 113 D C -0.238 176.022 176.300 -0.068 0.000 1.195 113 D CA -0.560 53.426 54.000 -0.024 0.000 1.087 113 D CB 0.097 40.864 40.800 -0.055 0.000 1.165 113 D HN 0.093 nan 8.370 nan 0.000 0.609 114 D N -2.077 118.237 120.400 -0.144 0.000 2.643 114 D HA 0.043 4.683 4.640 0.001 0.000 0.244 114 D C 0.681 176.595 176.300 -0.643 0.000 1.257 114 D CA -0.316 53.437 54.000 -0.412 0.000 0.831 114 D CB -0.411 40.250 40.800 -0.231 0.000 1.043 114 D HN 0.228 nan 8.370 nan 0.000 0.488 115 S N -0.546 114.840 115.700 -0.524 0.000 2.561 115 S HA 0.023 4.493 4.470 0.001 0.000 0.225 115 S C 1.568 175.883 174.600 -0.476 0.000 0.977 115 S CA 0.002 57.792 58.200 -0.683 0.000 0.926 115 S CB -0.420 61.893 63.200 -1.478 0.000 0.769 115 S HN 0.326 nan 8.310 nan 0.000 0.533 116 L N -0.063 120.949 121.223 -0.352 0.000 2.554 116 L HA 0.331 4.671 4.340 0.001 0.000 0.225 116 L C 0.708 177.603 176.870 0.041 0.000 1.104 116 L CA -0.268 54.533 54.840 -0.066 0.000 0.866 116 L CB -0.126 42.056 42.059 0.205 0.000 1.047 116 L HN 0.497 nan 8.230 nan 0.000 0.468 117 Y N -2.619 117.662 120.300 -0.032 0.000 2.730 117 Y HA 0.705 5.256 4.550 0.001 0.000 0.325 117 Y C -0.595 175.164 175.900 -0.236 0.000 1.132 117 Y CA -2.241 55.795 58.100 -0.107 0.000 1.206 117 Y CB 0.220 38.631 38.460 -0.081 0.000 1.390 117 Y HN -0.281 nan 8.280 nan 0.000 0.555 118 F N 0.538 120.697 119.950 0.349 0.000 2.492 118 F HA 0.621 5.149 4.527 0.001 0.000 0.327 118 F C -0.014 175.977 175.800 0.319 0.000 1.079 118 F CA -0.936 57.229 58.000 0.275 0.000 0.967 118 F CB 2.034 41.180 39.000 0.243 0.000 1.169 118 F HN 0.415 nan 8.300 nan 0.000 0.472 119 K N 1.338 122.023 120.400 0.474 0.000 2.482 119 K HA 0.525 4.845 4.320 0.001 0.000 0.251 119 K C -0.696 176.152 176.600 0.413 0.000 0.936 119 K CA -0.542 55.976 56.287 0.384 0.000 0.791 119 K CB 1.740 34.449 32.500 0.348 0.000 1.213 119 K HN 0.828 nan 8.250 nan 0.000 0.428 120 S N 2.033 117.909 115.700 0.294 0.000 2.671 120 S HA 0.148 4.618 4.470 0.001 0.000 0.272 120 S C 0.934 175.516 174.600 -0.029 0.000 1.174 120 S CA -0.444 57.908 58.200 0.253 0.000 1.004 120 S CB 0.889 64.159 63.200 0.116 0.000 1.077 120 S HN 0.722 nan 8.310 nan 0.000 0.553 121 E N 0.563 120.573 120.200 -0.316 0.000 2.160 121 E HA -0.118 4.232 4.350 0.001 0.000 0.195 121 E C 1.405 177.735 176.600 -0.449 0.000 0.991 121 E CA 1.590 57.446 56.400 -0.907 0.000 0.810 121 E CB -0.442 28.995 29.700 -0.439 0.000 0.742 121 E HN 0.878 nan 8.360 nan 0.000 0.466 122 T N -3.151 111.289 114.554 -0.189 0.000 3.186 122 T HA 0.393 4.744 4.350 0.001 0.000 0.257 122 T C 1.246 175.918 174.700 -0.048 0.000 1.029 122 T CA 0.110 62.148 62.100 -0.104 0.000 0.916 122 T CB 0.687 69.521 68.868 -0.056 0.000 1.041 122 T HN 0.258 nan 8.240 nan 0.000 0.562 123 G N 1.169 109.953 108.800 -0.026 0.000 2.159 123 G HA2 -0.260 3.700 3.960 0.001 0.000 0.256 123 G HA3 -0.260 3.700 3.960 0.001 0.000 0.256 123 G C 0.151 175.090 174.900 0.065 0.000 0.977 123 G CA 0.060 45.187 45.100 0.044 0.000 0.652 123 G HN 0.699 nan 8.290 nan 0.000 0.531 124 T N 0.847 115.437 114.554 0.060 0.000 2.888 124 T HA 0.424 4.774 4.350 0.001 0.000 0.301 124 T C 0.685 175.447 174.700 0.102 0.000 1.001 124 T CA 0.048 62.184 62.100 0.060 0.000 1.147 124 T CB 2.154 71.052 68.868 0.050 0.000 0.931 124 T HN 0.378 nan 8.240 nan 0.000 0.541 125 V N 4.837 124.787 119.914 0.059 0.000 2.509 125 V HA 0.355 4.475 4.120 0.001 0.000 0.284 125 V C 0.448 176.584 176.094 0.069 0.000 1.047 125 V CA -0.799 61.545 62.300 0.073 0.000 0.952 125 V CB 1.495 33.260 31.823 -0.098 0.000 0.988 125 V HN 0.808 nan 8.190 nan 0.000 0.469 126 N N 3.562 122.376 118.700 0.189 0.000 2.314 126 N HA 0.439 5.180 4.740 0.001 0.000 0.294 126 N C -0.730 174.923 175.510 0.238 0.000 1.029 126 N CA -0.571 52.593 53.050 0.190 0.000 0.845 126 N CB 1.913 40.541 38.487 0.235 0.000 1.321 126 N HN 0.637 nan 8.380 nan 0.000 0.481 127 K N 2.573 123.039 120.400 0.110 0.000 3.239 127 K HA 0.173 4.493 4.320 0.001 0.000 0.204 127 K C 0.016 176.802 176.600 0.309 0.000 1.126 127 K CA -0.111 56.246 56.287 0.117 0.000 0.948 127 K CB 0.743 32.957 32.500 -0.477 0.000 0.818 127 K HN 0.580 nan 8.250 nan 0.000 0.480 128 E N 0.226 120.617 120.200 0.318 0.000 2.474 128 E HA -0.004 4.347 4.350 0.001 0.000 0.194 128 E C 0.534 177.359 176.600 0.375 0.000 1.041 128 E CA 0.324 56.895 56.400 0.285 0.000 0.874 128 E CB 0.549 30.364 29.700 0.191 0.000 0.914 128 E HN 0.044 nan 8.360 nan 0.000 0.498 129 T N -0.087 114.754 114.554 0.478 0.000 2.749 129 T HA 0.344 4.695 4.350 0.001 0.000 0.310 129 T C -1.638 173.348 174.700 0.476 0.000 1.496 129 T CA -0.735 61.643 62.100 0.463 0.000 1.006 129 T CB 1.053 70.174 68.868 0.421 0.000 1.457 129 T HN 0.032 nan 8.240 nan 0.000 0.497 130 L N 3.120 124.549 121.223 0.343 0.000 2.371 130 L HA 0.421 4.762 4.340 0.001 0.000 0.272 130 L C 0.910 177.786 176.870 0.010 0.000 1.124 130 L CA -0.836 54.100 54.840 0.160 0.000 0.816 130 L CB 0.756 42.883 42.059 0.114 0.000 1.129 130 L HN 0.642 nan 8.230 nan 0.000 0.448 131 N N 5.214 123.747 118.700 -0.278 0.000 2.440 131 N HA 0.019 4.759 4.740 0.001 0.000 0.265 131 N C -1.606 173.718 175.510 -0.309 0.000 1.239 131 N CA -1.133 51.577 53.050 -0.567 0.000 0.909 131 N CB 1.284 39.351 38.487 -0.701 0.000 1.066 131 N HN 0.351 nan 8.380 nan 0.000 0.474 132 P HA -0.110 nan 4.420 nan 0.000 0.231 132 P C 1.533 178.687 177.300 -0.242 0.000 1.158 132 P CA 0.674 63.464 63.100 -0.518 0.000 0.763 132 P CB 0.394 31.634 31.700 -0.766 0.000 0.805 133 L N -0.311 120.838 121.223 -0.122 0.000 2.131 133 L HA -0.074 4.266 4.340 0.001 0.000 0.210 133 L C 1.691 178.653 176.870 0.153 0.000 1.092 133 L CA 0.952 55.831 54.840 0.066 0.000 0.759 133 L CB -0.743 41.458 42.059 0.237 0.000 0.903 133 L HN -0.075 nan 8.230 nan 0.000 0.435 134 A N -0.459 122.368 122.820 0.013 0.000 3.056 134 A HA 0.221 4.542 4.320 0.001 0.000 0.274 134 A C 1.434 178.983 177.584 -0.058 0.000 1.661 134 A CA 0.182 52.197 52.037 -0.036 0.000 1.363 134 A CB -0.255 18.650 19.000 -0.159 0.000 1.139 134 A HN 0.380 nan 8.150 nan 0.000 0.598 135 S N 0.592 116.287 115.700 -0.008 0.000 2.489 135 S HA -0.123 4.347 4.470 0.001 0.000 0.228 135 S C 1.240 175.816 174.600 -0.040 0.000 0.995 135 S CA 0.838 59.016 58.200 -0.037 0.000 0.934 135 S CB -0.200 63.003 63.200 0.005 0.000 0.771 135 S HN 0.718 nan 8.310 nan 0.000 0.522 136 D N 2.445 122.837 120.400 -0.013 0.000 2.097 136 D HA -0.081 4.559 4.640 0.001 0.000 0.197 136 D C 1.932 178.214 176.300 -0.030 0.000 0.984 136 D CA 0.951 54.945 54.000 -0.009 0.000 0.826 136 D CB -0.981 39.826 40.800 0.012 0.000 0.973 136 D HN 0.381 nan 8.370 nan 0.000 0.460 137 V N 0.916 120.804 119.914 -0.043 0.000 2.515 137 V HA -0.175 3.945 4.120 0.001 0.000 0.250 137 V C 2.554 178.599 176.094 -0.082 0.000 1.058 137 V CA 0.865 63.143 62.300 -0.037 0.000 1.064 137 V CB -0.322 31.475 31.823 -0.044 0.000 0.675 137 V HN 0.159 nan 8.190 nan 0.000 0.461 138 I N 0.636 121.098 120.570 -0.181 0.000 2.163 138 I HA -0.201 3.970 4.170 0.001 0.000 0.240 138 I C 2.672 178.591 176.117 -0.330 0.000 1.081 138 I CA 2.014 63.068 61.300 -0.409 0.000 1.353 138 I CB -1.248 36.458 38.000 -0.491 0.000 1.054 138 I HN 0.396 nan 8.210 nan 0.000 0.407 139 R N 1.812 122.203 120.500 -0.183 0.000 2.096 139 R HA -0.216 4.125 4.340 0.001 0.000 0.235 139 R C 2.270 178.525 176.300 -0.076 0.000 1.127 139 R CA 1.939 57.968 56.100 -0.119 0.000 0.968 139 R CB -0.317 29.945 30.300 -0.064 0.000 0.861 139 R HN 0.342 nan 8.270 nan 0.000 0.440 140 K N 0.323 120.700 120.400 -0.039 0.000 1.973 140 K HA -0.145 4.175 4.320 0.001 0.000 0.210 140 K C 1.742 178.363 176.600 0.036 0.000 1.045 140 K CA 1.622 57.916 56.287 0.013 0.000 0.937 140 K CB -0.089 32.440 32.500 0.047 0.000 0.721 140 K HN 0.138 nan 8.250 nan 0.000 0.438 141 E N -0.062 120.180 120.200 0.069 0.000 2.153 141 E HA -0.183 4.168 4.350 0.001 0.000 0.194 141 E C 2.084 178.667 176.600 -0.028 0.000 0.988 141 E CA 1.243 57.723 56.400 0.134 0.000 0.811 141 E CB -0.245 29.630 29.700 0.292 0.000 0.746 141 E HN 0.475 nan 8.360 nan 0.000 0.466 142 Y N 0.244 120.293 120.300 -0.418 0.000 2.347 142 Y HA 0.154 4.704 4.550 0.001 0.000 0.294 142 Y C 2.515 177.965 175.900 -0.751 0.000 1.117 142 Y CA 0.510 58.134 58.100 -0.793 0.000 1.184 142 Y CB -0.966 36.969 38.460 -0.876 0.000 1.047 142 Y HN 0.051 nan 8.280 nan 0.000 0.546 143 G N -0.062 108.598 108.800 -0.234 0.000 2.418 143 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 143 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 143 G C 1.538 176.397 174.900 -0.069 0.000 1.158 143 G CA 0.948 45.959 45.100 -0.148 0.000 0.771 143 G HN 0.388 nan 8.290 nan 0.000 0.545 144 E N -0.394 119.810 120.200 0.007 0.000 2.077 144 E HA -0.087 4.263 4.350 0.001 0.000 0.193 144 E C 2.379 179.066 176.600 0.145 0.000 0.989 144 E CA 0.807 57.285 56.400 0.131 0.000 0.800 144 E CB -0.149 29.712 29.700 0.268 0.000 0.746 144 E HN 0.373 nan 8.360 nan 0.000 0.452 145 L N 0.149 121.421 121.223 0.082 0.000 2.056 145 L HA -0.165 4.175 4.340 0.001 0.000 0.207 145 L C 1.983 178.923 176.870 0.118 0.000 1.078 145 L CA 1.463 56.357 54.840 0.090 0.000 0.749 145 L CB -0.343 41.632 42.059 -0.140 0.000 0.901 145 L HN 0.076 nan 8.230 nan 0.000 0.433 146 Y N 0.113 120.351 120.300 -0.103 0.000 2.070 146 Y HA -0.224 4.326 4.550 0.001 0.000 0.280 146 Y C 2.777 178.549 175.900 -0.213 0.000 1.148 146 Y CA 1.646 59.643 58.100 -0.172 0.000 1.125 146 Y CB -1.719 36.542 38.460 -0.333 0.000 0.975 146 Y HN 0.200 nan 8.280 nan 0.000 0.492 147 T N 0.216 114.748 114.554 -0.036 0.000 2.788 147 T HA -0.135 4.216 4.350 0.001 0.000 0.268 147 T C 2.151 176.795 174.700 -0.094 0.000 1.044 147 T CA 1.330 63.380 62.100 -0.084 0.000 1.139 147 T CB -0.519 68.321 68.868 -0.046 0.000 0.867 147 T HN 0.407 nan 8.240 nan 0.000 0.454 148 A N 0.634 123.359 122.820 -0.158 0.000 1.930 148 A HA 0.042 4.363 4.320 0.001 0.000 0.217 148 A C 1.972 179.213 177.584 -0.573 0.000 1.175 148 A CA 1.006 52.828 52.037 -0.359 0.000 0.627 148 A CB -0.877 17.689 19.000 -0.724 0.000 0.815 148 A HN 0.481 nan 8.150 nan 0.000 0.443 149 F N 1.091 120.697 119.950 -0.574 0.000 2.102 149 F HA -0.106 4.421 4.527 0.000 0.000 0.298 149 F C 2.523 178.162 175.800 -0.269 0.000 1.105 149 F CA 1.319 58.949 58.000 -0.617 0.000 1.239 149 F CB -0.362 38.555 39.000 -0.138 0.000 0.991 149 F HN 0.242 nan 8.300 nan 0.000 0.474 150 A N -0.070 122.854 122.820 0.173 0.000 2.024 150 A HA -0.075 4.246 4.320 0.001 0.000 0.220 150 A C 2.283 179.941 177.584 0.123 0.000 1.164 150 A CA 1.769 54.021 52.037 0.358 0.000 0.643 150 A CB -1.363 17.855 19.000 0.362 0.000 0.806 150 A HN 0.506 nan 8.150 nan 0.000 0.451 151 A N -0.488 122.265 122.820 -0.111 0.000 1.878 151 A HA 0.384 4.704 4.320 0.001 0.000 0.213 151 A C 2.466 179.927 177.584 -0.205 0.000 1.192 151 A CA 1.423 53.380 52.037 -0.134 0.000 0.619 151 A CB -0.971 17.951 19.000 -0.129 0.000 0.837 151 A HN 0.980 nan 8.150 nan 0.000 0.446 152 A N -0.833 121.732 122.820 -0.424 0.000 1.972 152 A HA -0.078 4.242 4.320 0.001 0.000 0.219 152 A C 1.969 179.402 177.584 -0.251 0.000 1.169 152 A CA 1.859 53.666 52.037 -0.383 0.000 0.635 152 A CB -0.420 18.165 19.000 -0.690 0.000 0.810 152 A HN 0.402 nan 8.150 nan 0.000 0.446 153 M N -0.766 118.652 119.600 -0.303 0.000 2.595 153 M HA 0.083 4.563 4.480 0.001 0.000 0.248 153 M C 1.660 178.068 176.300 0.180 0.000 1.119 153 M CA 0.690 55.976 55.300 -0.024 0.000 1.079 153 M CB -1.032 31.431 32.600 -0.229 0.000 1.472 153 M HN 0.491 nan 8.290 nan 0.000 0.501 154 K N 1.254 121.670 120.400 0.027 0.000 2.089 154 K HA -0.179 4.142 4.320 0.001 0.000 0.210 154 K C -0.921 175.525 176.600 -0.256 0.000 1.048 154 K CA 1.670 57.836 56.287 -0.201 0.000 0.926 154 K CB -0.802 31.571 32.500 -0.211 0.000 0.714 154 K HN 0.169 nan 8.250 nan 0.000 0.448 155 P HA -0.130 nan 4.420 nan 0.000 0.225 155 P C -0.036 176.879 177.300 -0.643 0.000 1.148 155 P CA 1.213 63.983 63.100 -0.549 0.000 0.779 155 P CB 0.027 31.266 31.700 -0.768 0.000 0.780 156 Y N -0.397 119.882 120.300 -0.035 0.000 2.607 156 Y HA 0.185 4.735 4.550 0.001 0.000 0.266 156 Y C 1.941 177.876 175.900 0.059 0.000 1.178 156 Y CA -0.536 57.566 58.100 0.004 0.000 1.226 156 Y CB -0.663 37.800 38.460 0.006 0.000 1.144 156 Y HN -0.001 nan 8.280 nan 0.000 0.528 157 K N 0.230 120.679 120.400 0.081 0.000 2.218 157 K HA -0.246 4.074 4.320 0.001 0.000 0.205 157 K C 1.013 177.699 176.600 0.143 0.000 1.046 157 K CA 2.160 58.535 56.287 0.146 0.000 0.933 157 K CB -0.343 32.028 32.500 -0.214 0.000 0.728 157 K HN 0.298 nan 8.250 nan 0.000 0.454 158 D N 1.435 121.882 120.400 0.078 0.000 2.348 158 D HA -0.120 4.520 4.640 0.001 0.000 0.216 158 D C 1.602 177.950 176.300 0.079 0.000 0.970 158 D CA 1.079 55.116 54.000 0.061 0.000 0.889 158 D CB 0.028 40.843 40.800 0.024 0.000 0.912 158 D HN 0.315 nan 8.370 nan 0.000 0.524 159 V N -2.367 117.614 119.914 0.112 0.000 3.483 159 V HA 0.375 4.495 4.120 0.001 0.000 0.301 159 V C 0.722 176.863 176.094 0.079 0.000 1.389 159 V CA -0.608 61.739 62.300 0.080 0.000 1.101 159 V CB -0.692 31.181 31.823 0.083 0.000 0.971 159 V HN -0.003 nan 8.190 nan 0.000 0.434 160 I N 1.722 122.360 120.570 0.114 0.000 2.304 160 I HA 0.571 4.741 4.170 0.001 0.000 0.291 160 I C 1.309 177.461 176.117 0.058 0.000 1.018 160 I CA 0.121 61.469 61.300 0.080 0.000 1.260 160 I CB 1.631 39.684 38.000 0.089 0.000 1.390 160 I HN 0.184 nan 8.210 nan 0.000 0.475 161 A N 6.376 129.208 122.820 0.021 0.000 2.115 161 A HA 0.188 4.508 4.320 0.001 0.000 0.211 161 A C 0.742 178.308 177.584 -0.030 0.000 1.169 161 A CA 0.653 52.724 52.037 0.057 0.000 0.787 161 A CB 0.303 19.396 19.000 0.155 0.000 0.858 161 A HN 0.717 nan 8.150 nan 0.000 0.474 162 K N -1.504 118.815 120.400 -0.135 0.000 2.642 162 K HA 0.575 4.895 4.320 0.001 0.000 0.290 162 K C -2.268 174.133 176.600 -0.332 0.000 1.006 162 K CA -0.705 55.442 56.287 -0.234 0.000 0.869 162 K CB 0.728 33.060 32.500 -0.280 0.000 1.499 162 K HN 0.050 nan 8.250 nan 0.000 0.403 163 I N 2.301 122.611 120.570 -0.433 0.000 2.509 163 I HA 0.385 4.555 4.170 0.001 0.000 0.293 163 I C -1.189 174.675 176.117 -0.422 0.000 1.020 163 I CA -0.692 60.305 61.300 -0.504 0.000 1.088 163 I CB 1.553 39.043 38.000 -0.849 0.000 1.267 163 I HN 0.490 nan 8.210 nan 0.000 0.430 164 Y N 5.409 125.492 120.300 -0.361 0.000 2.420 164 Y HA 0.635 5.185 4.550 0.001 0.000 0.334 164 Y C -0.275 175.446 175.900 -0.298 0.000 1.094 164 Y CA -0.459 57.479 58.100 -0.271 0.000 1.126 164 Y CB 1.491 39.824 38.460 -0.211 0.000 1.217 164 Y HN 0.245 nan 8.280 nan 0.000 0.462 165 L N 1.460 122.683 121.223 -0.001 0.000 2.330 165 L HA 0.533 4.874 4.340 0.001 0.000 0.271 165 L C -0.147 176.741 176.870 0.030 0.000 1.013 165 L CA -1.027 53.778 54.840 -0.059 0.000 0.816 165 L CB 1.788 43.815 42.059 -0.055 0.000 1.287 165 L HN 0.471 nan 8.230 nan 0.000 0.435 166 S N 0.090 115.816 115.700 0.043 0.000 2.410 166 S HA 0.392 4.862 4.470 0.001 0.000 0.304 166 S C 0.786 175.480 174.600 0.158 0.000 1.095 166 S CA -0.402 57.859 58.200 0.103 0.000 1.089 166 S CB 0.986 64.325 63.200 0.231 0.000 0.968 166 S HN 0.799 nan 8.310 nan 0.000 0.480 167 G N 2.860 111.741 108.800 0.135 0.000 3.042 167 G HA2 0.540 4.500 3.960 0.001 0.000 0.212 167 G HA3 0.540 4.500 3.960 0.001 0.000 0.212 167 G C 0.653 175.715 174.900 0.272 0.000 1.166 167 G CA 0.144 45.359 45.100 0.193 0.000 0.767 167 G HN 1.207 nan 8.290 nan 0.000 0.546 168 G N -0.498 108.412 108.800 0.184 0.000 2.336 168 G HA2 0.406 4.367 3.960 0.001 0.000 0.286 168 G HA3 0.406 4.367 3.960 0.001 0.000 0.286 168 G C -3.282 171.625 174.900 0.013 0.000 1.269 168 G CA -0.732 44.441 45.100 0.121 0.000 0.873 168 G HN -0.031 nan 8.290 nan 0.000 0.494 169 P HA 0.387 nan 4.420 nan 0.000 0.269 169 P C 0.707 177.869 177.300 -0.231 0.000 1.209 169 P CA 1.716 64.769 63.100 -0.080 0.000 0.776 169 P CB 1.199 32.834 31.700 -0.109 0.000 0.876 170 A N 2.549 125.197 122.820 -0.286 0.000 2.816 170 A HA -0.108 4.212 4.320 0.001 0.000 0.270 170 A C 1.401 178.633 177.584 -0.586 0.000 1.413 170 A CA 1.636 53.512 52.037 -0.269 0.000 0.866 170 A CB -2.558 16.401 19.000 -0.067 0.000 1.032 170 A HN 1.200 nan 8.150 nan 0.000 0.642 171 G N -2.157 105.928 108.800 -1.192 0.000 2.153 171 G HA2 -0.208 3.752 3.960 0.001 0.000 0.252 171 G HA3 -0.208 3.752 3.960 0.001 0.000 0.252 171 G C -0.217 174.569 174.900 -0.190 0.000 0.994 171 G CA 1.085 45.840 45.100 -0.576 0.000 0.698 171 G HN 1.253 nan 8.290 nan 0.000 0.521 172 E N -1.011 119.109 120.200 -0.134 0.000 2.202 172 E HA 0.591 4.941 4.350 0.001 0.000 0.272 172 E C -0.046 176.606 176.600 0.086 0.000 0.951 172 E CA -1.137 55.274 56.400 0.018 0.000 0.813 172 E CB 1.836 31.565 29.700 0.049 0.000 1.151 172 E HN 0.181 nan 8.360 nan 0.000 0.398 173 L N 4.544 125.883 121.223 0.192 0.000 2.454 173 L HA 0.224 4.564 4.340 0.001 0.000 0.284 173 L C -0.527 176.476 176.870 0.223 0.000 1.139 173 L CA 0.747 55.718 54.840 0.218 0.000 0.911 173 L CB -0.883 41.363 42.059 0.311 0.000 1.262 173 L HN 0.554 nan 8.230 nan 0.000 0.453 174 R N 2.086 122.584 120.500 -0.002 0.000 2.835 174 R HA 0.386 4.727 4.340 0.001 0.000 0.271 174 R C -1.473 174.579 176.300 -0.412 0.000 1.013 174 R CA -1.094 54.892 56.100 -0.189 0.000 0.876 174 R CB 0.399 30.599 30.300 -0.167 0.000 1.348 174 R HN 0.120 nan 8.270 nan 0.000 0.453 175 Y N 0.654 120.760 120.300 -0.323 0.000 2.335 175 Y HA 0.351 4.901 4.550 0.001 0.000 0.323 175 Y C -1.652 173.962 175.900 -0.476 0.000 1.224 175 Y CA -2.324 55.505 58.100 -0.451 0.000 1.241 175 Y CB 1.065 39.327 38.460 -0.329 0.000 1.235 175 Y HN 0.374 nan 8.280 nan 0.000 0.492 176 P HA 0.016 nan 4.420 nan 0.000 0.225 176 P C 0.157 177.319 177.300 -0.231 0.000 1.768 176 P CA 0.154 63.021 63.100 -0.388 0.000 0.943 176 P CB -0.291 31.163 31.700 -0.410 0.000 1.936 177 S N -0.501 115.097 115.700 -0.169 0.000 2.603 177 S HA -0.040 4.431 4.470 0.001 0.000 0.220 177 S C 0.402 175.069 174.600 0.111 0.000 0.967 177 S CA -0.199 57.992 58.200 -0.016 0.000 0.920 177 S CB -1.005 62.204 63.200 0.016 0.000 0.773 177 S HN 0.335 nan 8.310 nan 0.000 0.529 178 Y N 1.207 121.543 120.300 0.061 0.000 2.594 178 Y HA 0.725 5.276 4.550 0.001 0.000 0.338 178 Y C -0.290 175.670 175.900 0.099 0.000 1.019 178 Y CA -1.310 56.874 58.100 0.139 0.000 1.306 178 Y CB 0.067 38.726 38.460 0.331 0.000 1.094 178 Y HN 0.143 nan 8.280 nan 0.000 0.534 179 T N -2.146 112.487 114.554 0.132 0.000 2.896 179 T HA 0.328 4.678 4.350 0.001 0.000 0.297 179 T C 0.496 175.239 174.700 0.071 0.000 1.108 179 T CA -0.638 61.502 62.100 0.068 0.000 1.004 179 T CB 1.820 70.695 68.868 0.013 0.000 1.159 179 T HN 0.375 nan 8.240 nan 0.000 0.499 180 T N 1.251 115.834 114.554 0.048 0.000 2.904 180 T HA -0.032 4.318 4.350 0.001 0.000 0.267 180 T C 2.104 176.817 174.700 0.022 0.000 1.059 180 T CA 1.681 63.800 62.100 0.033 0.000 1.137 180 T CB -0.444 68.437 68.868 0.021 0.000 0.879 180 T HN 0.693 nan 8.240 nan 0.000 0.467 181 S N 1.264 116.975 115.700 0.017 0.000 2.371 181 S HA -0.084 4.387 4.470 0.001 0.000 0.224 181 S C 1.652 176.262 174.600 0.017 0.000 1.029 181 S CA 0.829 59.035 58.200 0.010 0.000 0.978 181 S CB -0.261 62.941 63.200 0.004 0.000 0.833 181 S HN 0.400 nan 8.310 nan 0.000 0.466 182 D N 0.622 121.039 120.400 0.028 0.000 2.336 182 D HA 0.187 4.828 4.640 0.001 0.000 0.229 182 D C 1.162 177.484 176.300 0.037 0.000 1.061 182 D CA 0.441 54.462 54.000 0.034 0.000 0.875 182 D CB -0.476 40.351 40.800 0.045 0.000 0.904 182 D HN 0.386 nan 8.370 nan 0.000 0.525 183 G N 0.744 109.565 108.800 0.034 0.000 2.249 183 G HA2 -0.290 3.670 3.960 0.001 0.000 0.273 183 G HA3 -0.290 3.670 3.960 0.001 0.000 0.273 183 G C 0.766 175.695 174.900 0.048 0.000 1.036 183 G CA 0.983 46.102 45.100 0.031 0.000 0.824 183 G HN 0.510 nan 8.290 nan 0.000 0.504 184 T N -2.988 111.613 114.554 0.078 0.000 3.393 184 T HA 0.592 4.942 4.350 0.001 0.000 0.298 184 T C 1.101 175.922 174.700 0.202 0.000 1.004 184 T CA 0.785 62.960 62.100 0.126 0.000 0.956 184 T CB 0.752 69.704 68.868 0.139 0.000 1.182 184 T HN 1.334 nan 8.240 nan 0.000 0.497 185 G N 0.885 109.763 108.800 0.131 0.000 2.606 185 G HA2 0.393 4.354 3.960 0.001 0.000 0.252 185 G HA3 0.393 4.354 3.960 0.001 0.000 0.252 185 G C -0.401 174.476 174.900 -0.038 0.000 1.206 185 G CA -0.818 44.353 45.100 0.117 0.000 0.861 185 G HN 0.524 nan 8.290 nan 0.000 0.561 186 Y N 2.001 122.004 120.300 -0.495 0.000 2.903 186 Y HA 0.180 4.730 4.550 0.001 0.000 0.338 186 Y C -1.202 174.371 175.900 -0.545 0.000 1.265 186 Y CA -0.789 56.641 58.100 -1.117 0.000 1.532 186 Y CB 0.999 38.596 38.460 -1.439 0.000 1.293 186 Y HN 0.326 nan 8.280 nan 0.000 0.609 187 P HA 0.198 nan 4.420 nan 0.000 0.274 187 P C -0.866 176.268 177.300 -0.278 0.000 1.673 187 P CA -0.159 62.163 63.100 -1.297 0.000 1.193 187 P CB 0.221 31.121 31.700 -1.332 0.000 1.571 188 S N 1.017 116.660 115.700 -0.095 0.000 2.608 188 S HA 0.293 4.764 4.470 0.001 0.000 0.261 188 S C 0.746 175.465 174.600 0.199 0.000 1.314 188 S CA -0.672 57.564 58.200 0.060 0.000 0.992 188 S CB 0.533 63.752 63.200 0.033 0.000 0.935 188 S HN 0.316 nan 8.310 nan 0.000 0.564 189 R N 0.041 120.606 120.500 0.109 0.000 2.784 189 R HA 0.469 4.809 4.340 0.001 0.000 0.266 189 R C 0.424 176.764 176.300 0.068 0.000 1.044 189 R CA -0.359 55.779 56.100 0.064 0.000 1.151 189 R CB -0.227 30.089 30.300 0.027 0.000 1.037 189 R HN 0.610 nan 8.270 nan 0.000 0.478 190 G N 1.094 109.884 108.800 -0.016 0.000 2.400 190 G HA2 0.269 4.229 3.960 0.001 0.000 0.301 190 G HA3 0.269 4.229 3.960 0.001 0.000 0.301 190 G C -0.913 173.905 174.900 -0.135 0.000 1.154 190 G CA -0.919 44.166 45.100 -0.026 0.000 0.852 190 G HN 0.482 nan 8.290 nan 0.000 0.511 191 K N 0.563 120.922 120.400 -0.068 0.000 2.130 191 K HA 0.339 4.659 4.320 0.001 0.000 0.268 191 K C -0.611 175.941 176.600 -0.080 0.000 0.983 191 K CA -0.373 55.883 56.287 -0.052 0.000 0.893 191 K CB 1.246 33.766 32.500 0.032 0.000 1.066 191 K HN 0.367 nan 8.250 nan 0.000 0.450 192 F N 1.497 121.495 119.950 0.080 0.000 2.459 192 F HA 0.025 4.553 4.527 0.001 0.000 0.346 192 F C 1.286 177.249 175.800 0.271 0.000 1.128 192 F CA 0.132 58.171 58.000 0.065 0.000 1.268 192 F CB 0.631 39.547 39.000 -0.140 0.000 1.161 192 F HN 0.244 nan 8.300 nan 0.000 0.583 193 Q N 2.603 122.641 119.800 0.397 0.000 2.628 193 Q HA 0.410 4.751 4.340 0.001 0.000 0.397 193 Q C -0.344 175.879 176.000 0.373 0.000 0.916 193 Q CA -0.131 55.911 55.803 0.397 0.000 1.071 193 Q CB 1.240 30.152 28.738 0.290 0.000 1.367 193 Q HN 0.679 nan 8.270 nan 0.000 0.404 194 A N 0.138 123.055 122.820 0.162 0.000 2.795 194 A HA 0.376 4.696 4.320 0.001 0.000 0.282 194 A C -0.269 177.122 177.584 -0.322 0.000 0.964 194 A CA -0.254 51.800 52.037 0.029 0.000 1.045 194 A CB 0.030 19.148 19.000 0.197 0.000 1.174 194 A HN 0.300 nan 8.150 nan 0.000 0.493 195 Y N 0.450 120.880 120.300 0.217 0.000 2.467 195 Y HA 0.089 4.640 4.550 0.001 0.000 0.250 195 Y C 1.726 177.718 175.900 0.152 0.000 1.155 195 Y CA 0.453 58.645 58.100 0.153 0.000 1.249 195 Y CB 0.119 38.652 38.460 0.121 0.000 1.146 195 Y HN 0.438 nan 8.280 nan 0.000 0.524 196 T N -1.719 112.975 114.554 0.234 0.000 2.791 196 T HA -0.049 4.301 4.350 0.001 0.000 0.323 196 T C 1.225 176.021 174.700 0.161 0.000 1.082 196 T CA -0.316 61.886 62.100 0.170 0.000 1.084 196 T CB 0.957 69.875 68.868 0.082 0.000 0.992 196 T HN 0.144 nan 8.240 nan 0.000 0.547 197 E N 0.197 120.485 120.200 0.148 0.000 2.077 197 E HA -0.070 4.280 4.350 0.001 0.000 0.193 197 E C 1.595 178.297 176.600 0.169 0.000 0.989 197 E CA 0.929 57.415 56.400 0.142 0.000 0.800 197 E CB -0.491 29.286 29.700 0.128 0.000 0.746 197 E HN 0.761 nan 8.360 nan 0.000 0.452 198 F N 1.658 121.625 119.950 0.028 0.000 2.102 198 F HA -0.171 4.356 4.527 0.001 0.000 0.298 198 F C 2.334 178.196 175.800 0.103 0.000 1.105 198 F CA 1.432 59.456 58.000 0.040 0.000 1.239 198 F CB -0.546 38.445 39.000 -0.015 0.000 0.991 198 F HN -0.004 nan 8.300 nan 0.000 0.474 199 A N 0.090 123.036 122.820 0.210 0.000 1.908 199 A HA -0.263 4.057 4.320 0.001 0.000 0.218 199 A C 2.243 179.916 177.584 0.148 0.000 1.181 199 A CA 2.128 54.309 52.037 0.241 0.000 0.627 199 A CB -0.767 18.408 19.000 0.292 0.000 0.818 199 A HN 0.466 nan 8.150 nan 0.000 0.445 200 K N -0.125 120.321 120.400 0.076 0.000 2.063 200 K HA -0.092 4.229 4.320 0.001 0.000 0.208 200 K C 2.313 178.912 176.600 -0.001 0.000 1.048 200 K CA 1.604 57.911 56.287 0.034 0.000 0.928 200 K CB -0.192 32.341 32.500 0.056 0.000 0.713 200 K HN 0.444 nan 8.250 nan 0.000 0.442 201 S N 0.765 116.445 115.700 -0.034 0.000 2.387 201 S HA -0.045 4.426 4.470 0.001 0.000 0.226 201 S C 1.661 176.192 174.600 -0.115 0.000 1.026 201 S CA 0.886 59.044 58.200 -0.070 0.000 0.972 201 S CB 0.011 63.169 63.200 -0.069 0.000 0.814 201 S HN 0.168 nan 8.310 nan 0.000 0.477 202 K N 1.140 121.447 120.400 -0.155 0.000 2.057 202 K HA 0.012 4.332 4.320 0.001 0.000 0.207 202 K C 1.718 178.274 176.600 -0.073 0.000 1.049 202 K CA 0.995 57.254 56.287 -0.047 0.000 0.931 202 K CB -0.761 31.756 32.500 0.028 0.000 0.714 202 K HN 0.421 nan 8.250 nan 0.000 0.440 203 F N 2.176 121.785 119.950 -0.568 0.000 2.102 203 F HA -0.169 4.359 4.527 0.001 0.000 0.298 203 F C 2.532 178.104 175.800 -0.380 0.000 1.105 203 F CA 1.536 58.833 58.000 -1.172 0.000 1.239 203 F CB -0.315 37.840 39.000 -1.408 0.000 0.991 203 F HN -0.053 nan 8.300 nan 0.000 0.474 204 R N 0.348 120.646 120.500 -0.337 0.000 2.096 204 R HA -0.188 4.153 4.340 0.001 0.000 0.240 204 R C 2.306 178.486 176.300 -0.201 0.000 1.139 204 R CA 2.273 58.207 56.100 -0.277 0.000 0.952 204 R CB -0.600 29.630 30.300 -0.118 0.000 0.854 204 R HN 0.439 nan 8.270 nan 0.000 0.436 205 L N -1.215 119.940 121.223 -0.112 0.000 2.156 205 L HA -0.147 4.193 4.340 0.001 0.000 0.208 205 L C 2.225 179.092 176.870 -0.005 0.000 1.095 205 L CA 0.953 55.761 54.840 -0.053 0.000 0.770 205 L CB -0.447 41.601 42.059 -0.019 0.000 0.914 205 L HN 0.412 nan 8.230 nan 0.000 0.439 206 W N 0.208 121.393 121.300 -0.192 0.000 2.418 206 W HA -0.129 4.532 4.660 0.001 0.000 0.292 206 W C 2.155 178.551 176.519 -0.204 0.000 1.213 206 W CA 1.103 58.372 57.345 -0.126 0.000 1.283 206 W CB -0.016 29.431 29.460 -0.022 0.000 1.119 206 W HN -0.217 nan 8.180 nan 0.000 0.542 207 V N 1.481 121.363 119.914 -0.052 0.000 2.407 207 V HA -0.320 3.800 4.120 0.001 0.000 0.248 207 V C 2.226 178.179 176.094 -0.236 0.000 1.055 207 V CA 1.940 64.125 62.300 -0.193 0.000 1.049 207 V CB -0.976 30.714 31.823 -0.221 0.000 0.662 207 V HN 0.246 nan 8.190 nan 0.000 0.455 208 L N 0.290 121.397 121.223 -0.194 0.000 2.217 208 L HA -0.126 4.215 4.340 0.001 0.000 0.211 208 L C 2.462 179.230 176.870 -0.170 0.000 1.107 208 L CA 1.500 56.247 54.840 -0.156 0.000 0.783 208 L CB -0.730 41.255 42.059 -0.123 0.000 0.919 208 L HN 0.471 nan 8.230 nan 0.000 0.442 209 N N 1.008 119.578 118.700 -0.218 0.000 2.135 209 N HA -0.234 4.506 4.740 0.001 0.000 0.186 209 N C 1.951 177.258 175.510 -0.340 0.000 1.027 209 N CA 1.311 54.221 53.050 -0.234 0.000 0.849 209 N CB 0.137 38.500 38.487 -0.207 0.000 1.002 209 N HN 0.273 nan 8.380 nan 0.000 0.425 210 K N -0.311 119.745 120.400 -0.573 0.000 2.032 210 K HA -0.182 4.139 4.320 0.001 0.000 0.209 210 K C 0.925 177.175 176.600 -0.583 0.000 1.048 210 K CA 1.706 57.541 56.287 -0.754 0.000 0.927 210 K CB -0.115 31.634 32.500 -1.251 0.000 0.712 210 K HN 0.331 nan 8.250 nan 0.000 0.441 211 Y N -1.788 118.342 120.300 -0.284 0.000 2.481 211 Y HA 0.312 4.863 4.550 0.001 0.000 0.247 211 Y C 1.361 177.149 175.900 -0.188 0.000 1.151 211 Y CA -0.080 57.885 58.100 -0.225 0.000 1.238 211 Y CB 1.429 39.734 38.460 -0.258 0.000 1.179 211 Y HN 0.372 nan 8.280 nan 0.000 0.524 212 G N 0.555 109.323 108.800 -0.053 0.000 2.850 212 G HA2 -0.231 3.730 3.960 0.001 0.000 0.207 212 G HA3 -0.231 3.730 3.960 0.001 0.000 0.207 212 G C 0.222 175.079 174.900 -0.073 0.000 1.302 212 G CA 0.016 45.077 45.100 -0.064 0.000 0.832 212 G HN 0.651 nan 8.290 nan 0.000 0.543 213 S N -0.883 114.769 115.700 -0.080 0.000 2.596 213 S HA 0.655 5.126 4.470 0.001 0.000 0.270 213 S C 0.505 175.023 174.600 -0.138 0.000 1.155 213 S CA 0.287 58.429 58.200 -0.096 0.000 0.827 213 S CB 1.681 64.835 63.200 -0.077 0.000 1.130 213 S HN 1.371 nan 8.310 nan 0.000 0.467 214 L N 1.918 123.059 121.223 -0.137 0.000 2.189 214 L HA -0.055 4.285 4.340 0.001 0.000 0.214 214 L C 1.700 178.467 176.870 -0.172 0.000 1.097 214 L CA 2.024 56.766 54.840 -0.164 0.000 0.764 214 L CB -1.377 40.613 42.059 -0.115 0.000 0.900 214 L HN 0.838 nan 8.230 nan 0.000 0.436 215 N N -1.248 117.373 118.700 -0.132 0.000 2.270 215 N HA -0.128 4.612 4.740 0.001 0.000 0.181 215 N C 1.388 176.805 175.510 -0.155 0.000 1.016 215 N CA 1.017 53.995 53.050 -0.119 0.000 0.870 215 N CB 0.054 38.492 38.487 -0.082 0.000 0.979 215 N HN 0.380 nan 8.380 nan 0.000 0.431 216 E N 0.465 120.558 120.200 -0.177 0.000 2.250 216 E HA -0.009 4.341 4.350 0.001 0.000 0.192 216 E C 2.151 178.483 176.600 -0.448 0.000 0.986 216 E CA 0.275 56.544 56.400 -0.218 0.000 0.849 216 E CB -0.022 29.605 29.700 -0.121 0.000 0.797 216 E HN 0.170 nan 8.360 nan 0.000 0.482 217 V N 2.674 122.273 119.914 -0.524 0.000 2.231 217 V HA -0.299 3.821 4.120 0.001 0.000 0.248 217 V C 2.081 177.755 176.094 -0.700 0.000 1.054 217 V CA 1.980 63.740 62.300 -0.899 0.000 1.015 217 V CB -0.651 30.666 31.823 -0.842 0.000 0.638 217 V HN 0.211 nan 8.190 nan 0.000 0.444 218 N N -0.020 118.460 118.700 -0.367 0.000 2.149 218 N HA -0.172 4.568 4.740 0.001 0.000 0.188 218 N C 1.843 177.279 175.510 -0.123 0.000 1.019 218 N CA 1.463 54.414 53.050 -0.166 0.000 0.857 218 N CB -0.305 38.116 38.487 -0.109 0.000 0.997 218 N HN 0.533 nan 8.380 nan 0.000 0.426 219 K N 0.520 120.821 120.400 -0.165 0.000 2.026 219 K HA 0.008 4.328 4.320 0.001 0.000 0.208 219 K C 2.080 178.614 176.600 -0.110 0.000 1.048 219 K CA 1.261 57.479 56.287 -0.114 0.000 0.929 219 K CB -0.137 32.296 32.500 -0.112 0.000 0.713 219 K HN 0.121 nan 8.250 nan 0.000 0.439 220 A N 0.520 123.186 122.820 -0.256 0.000 1.877 220 A HA -0.165 4.155 4.320 0.001 0.000 0.216 220 A C 1.517 179.157 177.584 0.094 0.000 1.186 220 A CA 1.320 53.232 52.037 -0.208 0.000 0.620 220 A CB -0.675 17.904 19.000 -0.702 0.000 0.822 220 A HN 0.399 nan 8.150 nan 0.000 0.443 221 W N -1.271 119.946 121.300 -0.139 0.000 2.863 221 W HA 0.350 5.011 4.660 0.001 0.000 0.258 221 W C 1.627 178.133 176.519 -0.022 0.000 1.298 221 W CA 0.270 57.598 57.345 -0.028 0.000 1.451 221 W CB -1.015 28.446 29.460 0.001 0.000 1.107 221 W HN 0.637 nan 8.180 nan 0.000 0.641 222 G N 1.246 110.139 108.800 0.154 0.000 2.176 222 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 222 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 222 G C 0.378 175.324 174.900 0.076 0.000 1.024 222 G CA 0.761 45.910 45.100 0.081 0.000 0.755 222 G HN 0.282 nan 8.290 nan 0.000 0.507 223 T N -3.138 111.478 114.554 0.104 0.000 2.919 223 T HA 0.770 5.120 4.350 0.001 0.000 0.282 223 T C 0.176 174.896 174.700 0.033 0.000 1.020 223 T CA -0.742 61.404 62.100 0.076 0.000 0.994 223 T CB 2.095 71.050 68.868 0.145 0.000 1.180 223 T HN 0.042 nan 8.240 nan 0.000 0.566 224 K N 1.422 121.831 120.400 0.016 0.000 3.237 224 K HA 0.303 4.623 4.320 0.001 0.000 0.197 224 K C -0.462 176.135 176.600 -0.004 0.000 1.133 224 K CA -0.305 55.981 56.287 -0.002 0.000 0.944 224 K CB 0.348 32.844 32.500 -0.006 0.000 0.952 224 K HN 0.551 nan 8.250 nan 0.000 0.515 225 L N 1.781 123.005 121.223 0.002 0.000 2.534 225 L HA 0.070 4.411 4.340 0.001 0.000 0.271 225 L C 1.736 178.595 176.870 -0.018 0.000 1.178 225 L CA -0.022 54.818 54.840 -0.001 0.000 0.907 225 L CB 0.225 42.292 42.059 0.014 0.000 1.164 225 L HN 0.278 nan 8.230 nan 0.000 0.482 226 I N 2.266 122.828 120.570 -0.014 0.000 2.406 226 I HA -0.105 4.065 4.170 0.001 0.000 0.249 226 I C 1.149 177.253 176.117 -0.021 0.000 1.122 226 I CA 0.845 62.135 61.300 -0.018 0.000 1.431 226 I CB 0.413 38.406 38.000 -0.012 0.000 1.087 226 I HN 0.764 nan 8.210 nan 0.000 0.424 227 S N -1.545 114.144 115.700 -0.019 0.000 2.579 227 S HA 0.325 4.795 4.470 0.001 0.000 0.272 227 S C 0.443 175.029 174.600 -0.023 0.000 1.141 227 S CA -0.671 57.515 58.200 -0.022 0.000 0.843 227 S CB 1.364 64.555 63.200 -0.015 0.000 1.122 227 S HN 0.112 nan 8.310 nan 0.000 0.468 228 E N 0.799 120.979 120.200 -0.033 0.000 2.233 228 E HA -0.118 4.232 4.350 0.001 0.000 0.199 228 E C 1.454 178.044 176.600 -0.017 0.000 1.004 228 E CA 1.197 57.574 56.400 -0.039 0.000 0.819 228 E CB -0.273 29.399 29.700 -0.047 0.000 0.738 228 E HN 0.477 nan 8.360 nan 0.000 0.478 229 L N -0.207 121.013 121.223 -0.004 0.000 2.217 229 L HA 0.060 4.401 4.340 0.001 0.000 0.211 229 L C 1.986 178.871 176.870 0.025 0.000 1.107 229 L CA 1.436 56.282 54.840 0.011 0.000 0.783 229 L CB -1.220 40.847 42.059 0.014 0.000 0.919 229 L HN 0.131 nan 8.230 nan 0.000 0.442 230 A N -0.883 121.950 122.820 0.021 0.000 2.248 230 A HA -0.024 4.296 4.320 0.001 0.000 0.210 230 A C 1.236 178.861 177.584 0.068 0.000 1.174 230 A CA 0.073 52.130 52.037 0.032 0.000 0.750 230 A CB -0.753 18.258 19.000 0.017 0.000 0.780 230 A HN 0.295 nan 8.150 nan 0.000 0.478 231 I N 1.041 121.660 120.570 0.083 0.000 2.421 231 I HA 0.239 4.409 4.170 0.001 0.000 0.291 231 I C -0.372 175.873 176.117 0.213 0.000 1.089 231 I CA 0.466 61.873 61.300 0.178 0.000 1.354 231 I CB 0.292 38.344 38.000 0.087 0.000 1.413 231 I HN 0.179 nan 8.210 nan 0.000 0.513 232 L N 8.003 129.396 121.223 0.283 0.000 2.409 232 L HA 0.582 4.922 4.340 0.001 0.000 0.255 232 L C -2.342 174.606 176.870 0.131 0.000 1.027 232 L CA -1.935 53.030 54.840 0.209 0.000 0.834 232 L CB 2.193 44.304 42.059 0.086 0.000 1.426 232 L HN 0.319 nan 8.230 nan 0.000 0.411 233 P HA 0.134 nan 4.420 nan 0.000 0.271 233 P C -2.688 174.336 177.300 -0.460 0.000 1.233 233 P CA -1.099 61.600 63.100 -0.669 0.000 0.789 233 P CB -0.792 30.462 31.700 -0.744 0.000 0.951 234 P HA 0.002 nan 4.420 nan 0.000 0.264 234 P C 0.817 178.046 177.300 -0.118 0.000 1.193 234 P CA 0.334 63.176 63.100 -0.429 0.000 0.763 234 P CB -0.058 31.133 31.700 -0.848 0.000 0.810 235 S N 0.383 116.055 115.700 -0.046 0.000 2.489 235 S HA -0.025 4.446 4.470 0.001 0.000 0.228 235 S C 0.562 175.153 174.600 -0.016 0.000 0.995 235 S CA 0.405 58.597 58.200 -0.014 0.000 0.934 235 S CB -0.204 62.988 63.200 -0.014 0.000 0.771 235 S HN 0.540 nan 8.310 nan 0.000 0.522 236 D N 0.253 120.661 120.400 0.014 0.000 2.479 236 D HA 0.380 5.021 4.640 0.001 0.000 0.246 236 D C 0.902 177.271 176.300 0.115 0.000 1.336 236 D CA -0.286 53.740 54.000 0.043 0.000 0.967 236 D CB 1.194 42.022 40.800 0.047 0.000 1.275 236 D HN 0.071 nan 8.370 nan 0.000 0.577 237 G N 2.678 111.559 108.800 0.137 0.000 2.432 237 G HA2 -0.254 3.706 3.960 0.001 0.000 0.219 237 G HA3 -0.254 3.706 3.960 0.001 0.000 0.219 237 G C 1.087 176.161 174.900 0.289 0.000 1.135 237 G CA 0.645 45.917 45.100 0.287 0.000 0.767 237 G HN 0.568 nan 8.290 nan 0.000 0.550 238 E N -0.420 119.883 120.200 0.172 0.000 2.047 238 E HA -0.132 4.219 4.350 0.001 0.000 0.191 238 E C 2.553 179.235 176.600 0.137 0.000 0.987 238 E CA 0.714 57.194 56.400 0.134 0.000 0.799 238 E CB -0.017 29.734 29.700 0.084 0.000 0.752 238 E HN 0.260 nan 8.360 nan 0.000 0.449 239 Q N -0.224 119.654 119.800 0.129 0.000 2.119 239 Q HA -0.145 4.196 4.340 0.001 0.000 0.201 239 Q C 1.963 178.044 176.000 0.134 0.000 0.972 239 Q CA 0.900 56.767 55.803 0.107 0.000 0.847 239 Q CB -0.406 28.381 28.738 0.082 0.000 0.903 239 Q HN 0.335 nan 8.270 nan 0.000 0.433 240 F N 0.925 120.920 119.950 0.074 0.000 2.126 240 F HA -0.185 4.342 4.527 0.001 0.000 0.299 240 F C 1.909 177.830 175.800 0.202 0.000 1.096 240 F CA 1.157 59.207 58.000 0.083 0.000 1.255 240 F CB -0.123 38.871 39.000 -0.010 0.000 0.997 240 F HN -0.012 nan 8.300 nan 0.000 0.479 241 L N -0.617 120.753 121.223 0.245 0.000 2.156 241 L HA -0.178 4.162 4.340 0.001 0.000 0.208 241 L C 2.388 179.340 176.870 0.137 0.000 1.095 241 L CA 0.947 55.879 54.840 0.154 0.000 0.770 241 L CB -0.471 41.691 42.059 0.172 0.000 0.914 241 L HN 0.220 nan 8.230 nan 0.000 0.439 242 M N -0.081 119.593 119.600 0.124 0.000 2.156 242 M HA -0.111 4.369 4.480 0.001 0.000 0.264 242 M C 1.473 177.844 176.300 0.120 0.000 1.067 242 M CA 1.746 57.113 55.300 0.112 0.000 1.131 242 M CB -0.130 32.506 32.600 0.059 0.000 1.368 242 M HN 0.443 nan 8.290 nan 0.000 0.416 243 N N -1.829 116.874 118.700 0.005 0.000 1.850 243 N HA 0.020 4.760 4.740 0.001 0.000 0.230 243 N C 1.335 176.644 175.510 -0.335 0.000 1.419 243 N CA 0.704 53.635 53.050 -0.198 0.000 0.762 243 N CB -0.559 37.844 38.487 -0.141 0.000 1.047 243 N HN 0.228 nan 8.380 nan 0.000 0.503 244 G N 1.720 110.367 108.800 -0.255 0.000 2.503 244 G HA2 -0.342 3.619 3.960 0.001 0.000 0.221 244 G HA3 -0.342 3.619 3.960 0.001 0.000 0.221 244 G C 1.328 175.820 174.900 -0.681 0.000 1.131 244 G CA 1.609 46.507 45.100 -0.336 0.000 0.756 244 G HN 0.565 nan 8.290 nan 0.000 0.572 245 Y N 0.405 120.063 120.300 -1.069 0.000 2.315 245 Y HA 0.090 4.640 4.550 0.001 0.000 0.288 245 Y C 2.203 177.919 175.900 -0.307 0.000 1.154 245 Y CA 0.816 58.434 58.100 -0.804 0.000 1.229 245 Y CB -0.558 37.562 38.460 -0.568 0.000 0.980 245 Y HN 0.148 nan 8.280 nan 0.000 0.540 246 L N 0.770 121.514 121.223 -0.798 0.000 2.217 246 L HA -0.054 4.287 4.340 0.001 0.000 0.211 246 L C 1.830 178.566 176.870 -0.223 0.000 1.107 246 L CA 0.637 55.172 54.840 -0.508 0.000 0.783 246 L CB -0.655 41.064 42.059 -0.567 0.000 0.919 246 L HN 0.378 nan 8.230 nan 0.000 0.442 247 S N -0.590 114.997 115.700 -0.188 0.000 2.596 247 S HA -0.046 4.424 4.470 0.001 0.000 0.260 247 S C 0.992 175.580 174.600 -0.019 0.000 1.336 247 S CA -0.410 57.748 58.200 -0.071 0.000 0.993 247 S CB 0.903 64.082 63.200 -0.035 0.000 0.923 247 S HN 0.158 nan 8.310 nan 0.000 0.567 248 M N 1.291 120.910 119.600 0.032 0.000 2.175 248 M HA 0.001 4.482 4.480 0.001 0.000 0.264 248 M C 1.682 177.988 176.300 0.009 0.000 1.063 248 M CA 1.667 57.033 55.300 0.111 0.000 1.119 248 M CB -1.148 31.591 32.600 0.231 0.000 1.377 248 M HN 0.885 nan 8.290 nan 0.000 0.415 249 Y N -0.011 119.985 120.300 -0.507 0.000 2.097 249 Y HA -0.103 4.447 4.550 0.001 0.000 0.282 249 Y C 2.047 177.805 175.900 -0.237 0.000 1.152 249 Y CA 2.141 59.637 58.100 -1.006 0.000 1.136 249 Y CB -1.145 36.648 38.460 -1.111 0.000 0.975 249 Y HN 0.239 nan 8.280 nan 0.000 0.498 250 G N 0.095 108.752 108.800 -0.238 0.000 2.422 250 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 250 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 250 G C 1.663 176.608 174.900 0.075 0.000 1.146 250 G CA 0.941 46.017 45.100 -0.039 0.000 0.769 250 G HN 0.434 nan 8.290 nan 0.000 0.547 251 K N 0.144 120.589 120.400 0.074 0.000 2.097 251 K HA -0.046 4.274 4.320 0.001 0.000 0.205 251 K C 2.048 178.776 176.600 0.212 0.000 1.050 251 K CA 1.201 57.574 56.287 0.144 0.000 0.938 251 K CB -0.057 32.533 32.500 0.149 0.000 0.718 251 K HN 0.106 nan 8.250 nan 0.000 0.442 252 D N -0.071 120.504 120.400 0.291 0.000 2.117 252 D HA -0.150 4.490 4.640 0.001 0.000 0.198 252 D C 1.729 178.292 176.300 0.437 0.000 0.982 252 D CA 0.958 55.293 54.000 0.559 0.000 0.828 252 D CB -0.154 41.183 40.800 0.895 0.000 0.967 252 D HN 0.154 nan 8.370 nan 0.000 0.464 253 Y N 1.406 121.728 120.300 0.036 0.000 2.163 253 Y HA -0.117 4.433 4.550 0.001 0.000 0.288 253 Y C 2.199 178.007 175.900 -0.154 0.000 1.136 253 Y CA 1.288 59.224 58.100 -0.274 0.000 1.147 253 Y CB -0.471 37.443 38.460 -0.909 0.000 0.987 253 Y HN -0.111 nan 8.280 nan 0.000 0.509 254 L N 0.355 121.502 121.223 -0.127 0.000 2.042 254 L HA -0.243 4.097 4.340 0.001 0.000 0.210 254 L C 2.595 179.433 176.870 -0.053 0.000 1.076 254 L CA 2.034 56.830 54.840 -0.073 0.000 0.749 254 L CB -0.647 41.487 42.059 0.126 0.000 0.893 254 L HN 0.350 nan 8.230 nan 0.000 0.432 255 E N -0.404 119.804 120.200 0.012 0.000 2.153 255 E HA -0.276 4.074 4.350 0.001 0.000 0.194 255 E C 2.100 178.636 176.600 -0.107 0.000 0.988 255 E CA 1.401 57.817 56.400 0.028 0.000 0.811 255 E CB -0.148 29.672 29.700 0.200 0.000 0.746 255 E HN 0.557 nan 8.360 nan 0.000 0.466 256 W N -0.015 120.933 121.300 -0.586 0.000 2.443 256 W HA -0.174 4.487 4.660 0.001 0.000 0.296 256 W C 1.905 178.151 176.519 -0.456 0.000 1.202 256 W CA 1.275 58.089 57.345 -0.885 0.000 1.312 256 W CB -0.559 28.128 29.460 -1.289 0.000 1.120 256 W HN 0.122 nan 8.180 nan 0.000 0.536 257 Y N 1.535 121.470 120.300 -0.608 0.000 2.181 257 Y HA -0.279 4.272 4.550 0.001 0.000 0.288 257 Y C 2.770 178.478 175.900 -0.321 0.000 1.146 257 Y CA 2.810 60.480 58.100 -0.715 0.000 1.164 257 Y CB -0.739 37.273 38.460 -0.747 0.000 0.982 257 Y HN 0.214 nan 8.280 nan 0.000 0.515 258 Q N -0.581 119.164 119.800 -0.093 0.000 2.187 258 Q HA -0.033 4.308 4.340 0.001 0.000 0.199 258 Q C 2.349 178.290 176.000 -0.100 0.000 0.957 258 Q CA 1.074 56.855 55.803 -0.036 0.000 0.857 258 Q CB -0.440 28.328 28.738 0.049 0.000 0.929 258 Q HN 0.566 nan 8.270 nan 0.000 0.453 259 G N 1.635 110.342 108.800 -0.156 0.000 2.442 259 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 259 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 259 G C 1.360 176.158 174.900 -0.169 0.000 1.141 259 G CA 0.719 45.750 45.100 -0.114 0.000 0.763 259 G HN 0.339 nan 8.290 nan 0.000 0.554 260 I N 0.851 121.213 120.570 -0.346 0.000 2.361 260 I HA -0.073 4.097 4.170 0.001 0.000 0.251 260 I C 2.632 178.627 176.117 -0.202 0.000 1.133 260 I CA 0.848 61.945 61.300 -0.339 0.000 1.413 260 I CB -0.884 36.791 38.000 -0.542 0.000 1.073 260 I HN 0.196 nan 8.210 nan 0.000 0.424 261 L N -0.385 120.733 121.223 -0.174 0.000 2.307 261 L HA -0.011 4.330 4.340 0.001 0.000 0.211 261 L C 2.240 179.129 176.870 0.032 0.000 1.099 261 L CA 0.454 55.255 54.840 -0.065 0.000 0.816 261 L CB -0.550 41.477 42.059 -0.054 0.000 0.952 261 L HN 0.154 nan 8.230 nan 0.000 0.455 262 E N 0.567 120.787 120.200 0.033 0.000 2.110 262 E HA -0.172 4.179 4.350 0.001 0.000 0.193 262 E C 1.729 178.350 176.600 0.035 0.000 0.988 262 E CA 1.029 57.468 56.400 0.066 0.000 0.804 262 E CB -0.110 29.649 29.700 0.097 0.000 0.745 262 E HN 0.446 nan 8.360 nan 0.000 0.458 263 N N 0.379 119.094 118.700 0.025 0.000 2.142 263 N HA -0.163 4.577 4.740 0.001 0.000 0.186 263 N C 1.772 177.310 175.510 0.048 0.000 1.023 263 N CA 1.066 54.135 53.050 0.032 0.000 0.852 263 N CB -0.433 38.068 38.487 0.024 0.000 0.998 263 N HN 0.225 nan 8.380 nan 0.000 0.424 264 H N 0.952 119.980 119.070 -0.071 0.000 2.319 264 H HA -0.028 4.529 4.556 0.001 0.000 0.299 264 H C 1.622 176.913 175.328 -0.062 0.000 1.092 264 H CA 2.018 58.021 56.048 -0.076 0.000 1.302 264 H CB -0.468 29.239 29.762 -0.091 0.000 1.373 264 H HN 0.091 nan 8.280 nan 0.000 0.497 265 T N 0.527 115.000 114.554 -0.136 0.000 2.720 265 T HA -0.128 4.222 4.350 0.001 0.000 0.268 265 T C 1.926 176.509 174.700 -0.196 0.000 1.037 265 T CA 1.798 63.744 62.100 -0.256 0.000 1.144 265 T CB -0.054 68.637 68.868 -0.295 0.000 0.864 265 T HN 0.397 nan 8.240 nan 0.000 0.444 266 K N 0.304 120.646 120.400 -0.097 0.000 2.155 266 K HA 0.088 4.409 4.320 0.001 0.000 0.203 266 K C 2.143 178.721 176.600 -0.036 0.000 1.052 266 K CA 0.509 56.764 56.287 -0.052 0.000 0.948 266 K CB -0.230 32.263 32.500 -0.011 0.000 0.728 266 K HN 0.143 nan 8.250 nan 0.000 0.448 267 L N 1.999 123.195 121.223 -0.045 0.000 1.988 267 L HA -0.116 4.224 4.340 0.001 0.000 0.207 267 L C 2.075 178.928 176.870 -0.029 0.000 1.071 267 L CA 1.444 56.265 54.840 -0.031 0.000 0.744 267 L CB -0.477 41.570 42.059 -0.020 0.000 0.893 267 L HN 0.223 nan 8.230 nan 0.000 0.433 268 I N -2.424 118.097 120.570 -0.083 0.000 2.361 268 I HA -0.061 4.109 4.170 0.001 0.000 0.251 268 I C 2.292 178.464 176.117 0.092 0.000 1.133 268 I CA 1.482 62.819 61.300 0.062 0.000 1.413 268 I CB -1.577 36.442 38.000 0.032 0.000 1.073 268 I HN 0.261 nan 8.210 nan 0.000 0.424 269 G N 1.428 110.226 108.800 -0.002 0.000 2.476 269 G HA2 -0.345 3.615 3.960 0.001 0.000 0.218 269 G HA3 -0.345 3.615 3.960 0.001 0.000 0.218 269 G C 1.616 176.602 174.900 0.144 0.000 1.164 269 G CA 1.181 46.305 45.100 0.039 0.000 0.768 269 G HN 0.714 nan 8.290 nan 0.000 0.560 270 E N 0.195 120.454 120.200 0.098 0.000 2.072 270 E HA -0.021 4.329 4.350 0.001 0.000 0.190 270 E C 2.464 179.125 176.600 0.102 0.000 0.982 270 E CA 0.403 56.865 56.400 0.103 0.000 0.803 270 E CB -0.284 29.446 29.700 0.051 0.000 0.755 270 E HN 0.451 nan 8.360 nan 0.000 0.453 271 L N 0.648 121.933 121.223 0.102 0.000 2.131 271 L HA -0.103 4.237 4.340 0.001 0.000 0.210 271 L C 2.666 179.627 176.870 0.153 0.000 1.092 271 L CA 1.170 56.082 54.840 0.120 0.000 0.759 271 L CB -0.372 41.750 42.059 0.104 0.000 0.903 271 L HN 0.243 nan 8.230 nan 0.000 0.435 272 A N -1.428 121.472 122.820 0.134 0.000 1.935 272 A HA -0.124 4.196 4.320 0.001 0.000 0.214 272 A C 2.149 179.693 177.584 -0.067 0.000 1.178 272 A CA 0.661 52.644 52.037 -0.090 0.000 0.640 272 A CB -0.594 18.334 19.000 -0.119 0.000 0.825 272 A HN 0.348 nan 8.150 nan 0.000 0.447 273 H N 0.453 119.549 119.070 0.043 0.000 2.387 273 H HA -0.076 4.480 4.556 0.001 0.000 0.299 273 H C 1.551 176.888 175.328 0.014 0.000 1.090 273 H CA 1.614 57.692 56.048 0.051 0.000 1.332 273 H CB -0.009 29.773 29.762 0.034 0.000 1.386 273 H HN 0.417 nan 8.280 nan 0.000 0.516 274 N N 0.408 119.159 118.700 0.084 0.000 2.270 274 N HA -0.054 4.687 4.740 0.001 0.000 0.181 274 N C 1.967 177.442 175.510 -0.058 0.000 1.016 274 N CA 0.935 53.999 53.050 0.023 0.000 0.870 274 N CB -0.038 38.456 38.487 0.011 0.000 0.979 274 N HN 0.305 nan 8.380 nan 0.000 0.431 275 A N -0.093 122.592 122.820 -0.226 0.000 1.903 275 A HA 0.071 4.391 4.320 0.001 0.000 0.213 275 A C 1.567 178.969 177.584 -0.304 0.000 1.185 275 A CA 0.752 52.550 52.037 -0.398 0.000 0.628 275 A CB -0.387 18.170 19.000 -0.738 0.000 0.830 275 A HN 0.125 nan 8.150 nan 0.000 0.446 276 F N 0.185 120.183 119.950 0.080 0.000 2.446 276 F HA 0.096 4.624 4.527 0.001 0.000 0.292 276 F C 1.792 177.719 175.800 0.212 0.000 1.096 276 F CA 0.124 58.216 58.000 0.154 0.000 1.438 276 F CB -0.659 38.304 39.000 -0.062 0.000 1.107 276 F HN 0.115 nan 8.300 nan 0.000 0.546 277 D N 0.468 121.046 120.400 0.297 0.000 2.088 277 D HA -0.168 4.473 4.640 0.001 0.000 0.191 277 D C 2.340 178.749 176.300 0.182 0.000 0.992 277 D CA 2.592 56.739 54.000 0.245 0.000 0.831 277 D CB -0.831 40.106 40.800 0.229 0.000 0.973 277 D HN 0.204 nan 8.370 nan 0.000 0.447 278 T N -1.251 113.375 114.554 0.120 0.000 2.737 278 T HA -0.150 4.201 4.350 0.001 0.000 0.269 278 T C 2.002 176.710 174.700 0.014 0.000 1.040 278 T CA 1.966 64.099 62.100 0.055 0.000 1.142 278 T CB -0.797 68.087 68.868 0.028 0.000 0.861 278 T HN 0.071 nan 8.240 nan 0.000 0.456 279 T N 1.153 115.711 114.554 0.007 0.000 2.814 279 T HA 0.192 4.543 4.350 0.001 0.000 0.254 279 T C 1.467 175.983 174.700 -0.306 0.000 1.037 279 T CA 0.854 62.826 62.100 -0.212 0.000 1.143 279 T CB -0.321 68.339 68.868 -0.347 0.000 0.866 279 T HN 0.416 nan 8.240 nan 0.000 0.431 280 F N 0.679 120.665 119.950 0.060 0.000 2.437 280 F HA 0.305 4.832 4.527 0.000 0.000 0.288 280 F C 1.258 177.073 175.800 0.026 0.000 1.085 280 F CA -0.297 57.722 58.000 0.031 0.000 1.430 280 F CB -0.516 38.489 39.000 0.009 0.000 1.120 280 F HN -0.010 nan 8.300 nan 0.000 0.556 281 Q N 0.425 120.360 119.800 0.224 0.000 2.478 281 Q HA -0.134 4.206 4.340 0.001 0.000 0.286 281 Q C -0.803 175.266 176.000 0.116 0.000 1.299 281 Q CA 0.382 56.268 55.803 0.139 0.000 0.826 281 Q CB -1.770 27.021 28.738 0.088 0.000 1.199 281 Q HN 0.339 nan 8.270 nan 0.000 0.451 282 V N -4.106 115.868 119.914 0.101 0.000 2.994 282 V HA 0.879 5.000 4.120 0.001 0.000 0.318 282 V C -2.309 173.772 176.094 -0.022 0.000 1.085 282 V CA -2.436 59.880 62.300 0.028 0.000 0.998 282 V CB 1.565 33.381 31.823 -0.013 0.000 1.063 282 V HN -0.064 nan 8.190 nan 0.000 0.447 283 P HA 0.527 nan 4.420 nan 0.000 0.275 283 P C -0.853 176.337 177.300 -0.184 0.000 1.228 283 P CA -0.061 62.998 63.100 -0.069 0.000 0.786 283 P CB 0.459 32.126 31.700 -0.055 0.000 0.927 284 I N 1.163 121.607 120.570 -0.210 0.000 2.474 284 I HA 0.690 4.860 4.170 0.001 0.000 0.294 284 I C 0.640 176.611 176.117 -0.243 0.000 1.005 284 I CA -0.361 60.758 61.300 -0.302 0.000 1.113 284 I CB 2.276 40.054 38.000 -0.371 0.000 1.289 284 I HN 0.414 nan 8.210 nan 0.000 0.436 285 G N 3.311 111.924 108.800 -0.311 0.000 2.725 285 G HA2 0.888 4.848 3.960 0.001 0.000 0.288 285 G HA3 0.888 4.848 3.960 0.001 0.000 0.288 285 G C -1.922 173.000 174.900 0.037 0.000 1.399 285 G CA -0.620 44.369 45.100 -0.184 0.000 0.859 285 G HN 0.837 nan 8.290 nan 0.000 0.479 286 A N -0.169 122.830 122.820 0.298 0.000 2.609 286 A HA 0.858 5.178 4.320 0.001 0.000 0.291 286 A C -0.970 176.916 177.584 0.504 0.000 1.096 286 A CA -0.787 51.477 52.037 0.379 0.000 0.684 286 A CB 1.722 20.828 19.000 0.176 0.000 1.282 286 A HN 0.617 nan 8.150 nan 0.000 0.412 287 K N 0.389 121.006 120.400 0.361 0.000 2.267 287 K HA 0.732 5.053 4.320 0.001 0.000 0.246 287 K C -1.410 175.335 176.600 0.242 0.000 0.954 287 K CA -0.469 55.968 56.287 0.249 0.000 0.824 287 K CB 2.370 34.920 32.500 0.084 0.000 1.167 287 K HN 0.545 nan 8.250 nan 0.000 0.431 288 I N 1.828 122.487 120.570 0.150 0.000 2.404 288 I HA 0.263 4.433 4.170 0.001 0.000 0.293 288 I C 0.072 176.188 176.117 -0.002 0.000 0.992 288 I CA -0.688 60.695 61.300 0.139 0.000 1.149 288 I CB 1.884 39.941 38.000 0.094 0.000 1.315 288 I HN 0.707 nan 8.210 nan 0.000 0.446 289 A N 4.163 127.102 122.820 0.198 0.000 2.406 289 A HA 0.558 4.878 4.320 0.001 0.000 0.243 289 A C 0.613 178.175 177.584 -0.036 0.000 1.082 289 A CA -0.147 51.956 52.037 0.110 0.000 0.786 289 A CB 0.184 19.371 19.000 0.311 0.000 1.029 289 A HN 0.885 nan 8.150 nan 0.000 0.495 290 G N 0.347 109.079 108.800 -0.113 0.000 2.922 290 G HA2 0.479 4.439 3.960 0.001 0.000 0.335 290 G HA3 0.479 4.439 3.960 0.001 0.000 0.335 290 G C -0.536 174.460 174.900 0.160 0.000 1.016 290 G CA -0.213 44.837 45.100 -0.084 0.000 1.306 290 G HN 0.641 nan 8.290 nan 0.000 0.465 291 V N 3.680 123.659 119.914 0.107 0.000 2.267 291 V HA 0.130 4.250 4.120 0.001 0.000 0.254 291 V C 0.926 176.862 176.094 -0.263 0.000 1.144 291 V CA -0.360 61.717 62.300 -0.371 0.000 0.992 291 V CB -0.730 30.897 31.823 -0.327 0.000 1.199 291 V HN 0.947 nan 8.190 nan 0.000 0.493 292 H N 0.942 120.002 119.070 -0.016 0.000 2.592 292 H HA 0.182 4.738 4.556 0.001 0.000 0.265 292 H C 0.565 176.082 175.328 0.314 0.000 0.955 292 H CA -0.742 55.433 56.048 0.210 0.000 1.175 292 H CB -0.098 29.808 29.762 0.240 0.000 1.433 292 H HN 0.630 nan 8.280 nan 0.000 0.537 293 W N 0.841 122.100 121.300 -0.068 0.000 2.215 293 W HA 0.370 5.030 4.660 0.001 0.000 0.342 293 W C 0.096 176.661 176.519 0.076 0.000 1.237 293 W CA -1.097 56.256 57.345 0.014 0.000 1.283 293 W CB 0.836 30.197 29.460 -0.164 0.000 1.131 293 W HN -0.049 nan 8.180 nan 0.000 0.606 294 Q N -0.051 119.920 119.800 0.285 0.000 2.450 294 Q HA -0.369 3.972 4.340 0.001 0.000 0.255 294 Q C 0.698 176.742 176.000 0.074 0.000 1.003 294 Q CA 1.765 57.664 55.803 0.160 0.000 1.097 294 Q CB -2.780 25.991 28.738 0.055 0.000 1.544 294 Q HN 0.903 nan 8.270 nan 0.000 0.531 295 Y N 2.381 122.704 120.300 0.038 0.000 2.070 295 Y HA -0.200 4.350 4.550 0.001 0.000 0.280 295 Y C 1.801 177.541 175.900 -0.267 0.000 1.148 295 Y CA 2.439 60.513 58.100 -0.043 0.000 1.125 295 Y CB 0.054 38.582 38.460 0.114 0.000 0.975 295 Y HN 0.473 nan 8.280 nan 0.000 0.492 296 N N 0.239 119.025 118.700 0.143 0.000 2.321 296 N HA -0.029 4.712 4.740 0.001 0.000 0.242 296 N C -0.809 174.532 175.510 -0.280 0.000 1.141 296 N CA -0.083 52.959 53.050 -0.013 0.000 0.864 296 N CB -0.951 37.694 38.487 0.263 0.000 1.100 296 N HN 0.276 nan 8.380 nan 0.000 0.510 297 N N 2.490 120.880 118.700 -0.517 0.000 2.454 297 N HA 0.040 4.780 4.740 0.001 0.000 0.260 297 N C -1.412 173.786 175.510 -0.520 0.000 1.218 297 N CA -0.969 51.490 53.050 -0.985 0.000 0.904 297 N CB 1.430 39.552 38.487 -0.608 0.000 1.065 297 N HN 0.084 nan 8.380 nan 0.000 0.462 298 P HA -0.040 nan 4.420 nan 0.000 0.220 298 P C 0.894 178.118 177.300 -0.127 0.000 1.152 298 P CA 1.389 64.368 63.100 -0.202 0.000 0.812 298 P CB 0.081 31.709 31.700 -0.122 0.000 0.792 299 T N -2.623 111.862 114.554 -0.115 0.000 3.014 299 T HA 0.203 4.553 4.350 0.001 0.000 0.250 299 T C 1.056 175.734 174.700 -0.035 0.000 1.060 299 T CA -0.084 61.989 62.100 -0.045 0.000 1.040 299 T CB -0.730 68.132 68.868 -0.010 0.000 0.971 299 T HN 0.173 nan 8.240 nan 0.000 0.497 300 I N -0.161 120.362 120.570 -0.078 0.000 2.782 300 I HA 0.509 4.680 4.170 0.001 0.000 0.279 300 I C -3.142 172.884 176.117 -0.151 0.000 1.247 300 I CA -2.874 58.386 61.300 -0.067 0.000 1.062 300 I CB 1.198 39.183 38.000 -0.026 0.000 1.421 300 I HN -0.250 nan 8.210 nan 0.000 0.558 301 P HA 0.036 nan 4.420 nan 0.000 0.268 301 P C -0.084 177.050 177.300 -0.277 0.000 1.204 301 P CA 0.596 63.504 63.100 -0.320 0.000 0.768 301 P CB 0.174 31.696 31.700 -0.296 0.000 0.842 302 H N 1.031 119.949 119.070 -0.253 0.000 2.741 302 H HA -0.151 4.406 4.556 0.001 0.000 0.305 302 H C 1.558 176.770 175.328 -0.193 0.000 1.169 302 H CA 0.988 56.895 56.048 -0.235 0.000 1.144 302 H CB -2.090 27.515 29.762 -0.261 0.000 1.397 302 H HN 0.738 nan 8.280 nan 0.000 0.409 303 G N -0.291 108.448 108.800 -0.101 0.000 2.498 303 G HA2 -0.003 3.958 3.960 0.001 0.000 0.219 303 G HA3 -0.003 3.958 3.960 0.001 0.000 0.219 303 G C 1.562 176.381 174.900 -0.134 0.000 1.119 303 G CA 0.984 46.029 45.100 -0.092 0.000 0.766 303 G HN 0.599 nan 8.290 nan 0.000 0.552 304 A N 0.264 122.958 122.820 -0.210 0.000 1.973 304 A HA 0.317 4.638 4.320 0.001 0.000 0.210 304 A C 2.013 179.410 177.584 -0.312 0.000 1.200 304 A CA 1.117 52.938 52.037 -0.360 0.000 0.707 304 A CB 0.081 18.515 19.000 -0.943 0.000 0.862 304 A HN 0.336 nan 8.150 nan 0.000 0.461 305 E N 0.665 120.742 120.200 -0.205 0.000 2.015 305 E HA -0.166 4.184 4.350 0.001 0.000 0.191 305 E C 1.888 178.419 176.600 -0.115 0.000 0.991 305 E CA 1.418 57.760 56.400 -0.096 0.000 0.802 305 E CB -0.170 29.578 29.700 0.080 0.000 0.759 305 E HN 0.487 nan 8.360 nan 0.000 0.447 306 K N 0.144 120.493 120.400 -0.084 0.000 2.020 306 K HA -0.164 4.156 4.320 0.001 0.000 0.212 306 K C -0.701 175.874 176.600 -0.042 0.000 1.050 306 K CA 1.708 57.991 56.287 -0.008 0.000 0.929 306 K CB -1.063 31.479 32.500 0.071 0.000 0.714 306 K HN 0.119 nan 8.250 nan 0.000 0.443 307 P HA -0.117 nan 4.420 nan 0.000 0.218 307 P C 0.866 178.116 177.300 -0.084 0.000 1.149 307 P CA 1.371 64.059 63.100 -0.688 0.000 0.817 307 P CB 0.011 31.250 31.700 -0.768 0.000 0.785 308 A N -0.853 121.897 122.820 -0.116 0.000 2.121 308 A HA 0.256 4.577 4.320 0.001 0.000 0.218 308 A C 1.826 179.328 177.584 -0.136 0.000 1.154 308 A CA 1.520 53.468 52.037 -0.148 0.000 0.679 308 A CB -1.307 17.475 19.000 -0.363 0.000 0.795 308 A HN 0.286 nan 8.150 nan 0.000 0.458 309 G N -3.300 105.518 108.800 0.029 0.000 2.192 309 G HA2 -0.168 3.792 3.960 0.001 0.000 0.193 309 G HA3 -0.168 3.792 3.960 0.001 0.000 0.193 309 G C -0.281 174.698 174.900 0.131 0.000 0.999 309 G CA 0.024 45.197 45.100 0.122 0.000 0.659 309 G HN 0.377 nan 8.290 nan 0.000 0.503 310 Y N 1.500 121.806 120.300 0.011 0.000 2.434 310 Y HA 0.560 5.111 4.550 0.001 0.000 0.341 310 Y C 0.900 176.614 175.900 -0.311 0.000 0.965 310 Y CA -1.640 56.328 58.100 -0.220 0.000 1.205 310 Y CB 0.741 39.010 38.460 -0.318 0.000 1.121 310 Y HN 0.197 nan 8.280 nan 0.000 0.507 311 N N 1.141 119.777 118.700 -0.106 0.000 2.564 311 N HA -0.065 4.676 4.740 0.001 0.000 0.202 311 N C -0.851 174.543 175.510 -0.193 0.000 1.052 311 N CA 0.407 53.383 53.050 -0.123 0.000 0.872 311 N CB 0.698 39.190 38.487 0.007 0.000 1.303 311 N HN 0.526 nan 8.380 nan 0.000 0.440 312 D N -0.002 120.304 120.400 -0.156 0.000 2.440 312 D HA 0.123 4.763 4.640 0.001 0.000 0.252 312 D C 0.035 176.316 176.300 -0.031 0.000 1.180 312 D CA -0.542 53.420 54.000 -0.064 0.000 0.894 312 D CB 0.408 41.229 40.800 0.036 0.000 1.111 312 D HN 0.040 nan 8.370 nan 0.000 0.544 313 Y N 1.496 121.814 120.300 0.031 0.000 2.293 313 Y HA -0.147 4.403 4.550 0.001 0.000 0.291 313 Y C 2.608 178.511 175.900 0.005 0.000 1.137 313 Y CA 0.975 59.063 58.100 -0.019 0.000 1.202 313 Y CB -0.217 38.191 38.460 -0.086 0.000 0.990 313 Y HN 0.351 nan 8.280 nan 0.000 0.537 314 S N -1.026 114.775 115.700 0.168 0.000 2.399 314 S HA -0.238 4.232 4.470 0.001 0.000 0.231 314 S C 1.745 176.384 174.600 0.064 0.000 1.022 314 S CA 1.603 59.858 58.200 0.093 0.000 0.983 314 S CB -0.301 62.947 63.200 0.080 0.000 0.803 314 S HN 0.575 nan 8.310 nan 0.000 0.480 315 H N -0.136 118.976 119.070 0.070 0.000 2.372 315 H HA 0.163 4.720 4.556 0.001 0.000 0.301 315 H C 1.848 177.236 175.328 0.100 0.000 1.065 315 H CA 1.381 57.476 56.048 0.078 0.000 1.364 315 H CB -0.259 29.547 29.762 0.073 0.000 1.406 315 H HN 0.268 nan 8.280 nan 0.000 0.521 316 L N 0.266 121.623 121.223 0.223 0.000 2.017 316 L HA -0.133 4.207 4.340 0.001 0.000 0.208 316 L C 1.754 178.764 176.870 0.234 0.000 1.073 316 L CA 1.503 56.474 54.840 0.218 0.000 0.745 316 L CB -0.524 41.634 42.059 0.165 0.000 0.894 316 L HN 0.276 nan 8.230 nan 0.000 0.432 317 L N -0.909 120.387 121.223 0.123 0.000 2.201 317 L HA -0.171 4.169 4.340 0.001 0.000 0.212 317 L C 2.040 178.992 176.870 0.138 0.000 1.105 317 L CA 0.796 55.681 54.840 0.074 0.000 0.775 317 L CB -0.775 41.260 42.059 -0.040 0.000 0.913 317 L HN 0.286 nan 8.230 nan 0.000 0.440 318 D N 0.443 120.897 120.400 0.090 0.000 2.178 318 D HA -0.121 4.519 4.640 0.001 0.000 0.202 318 D C 2.231 178.601 176.300 0.117 0.000 0.974 318 D CA 1.351 55.386 54.000 0.057 0.000 0.841 318 D CB 0.151 40.929 40.800 -0.035 0.000 0.953 318 D HN 0.302 nan 8.370 nan 0.000 0.478 319 A N -0.036 122.887 122.820 0.173 0.000 2.015 319 A HA -0.132 4.189 4.320 0.001 0.000 0.219 319 A C 1.897 179.564 177.584 0.138 0.000 1.163 319 A CA 0.783 52.905 52.037 0.142 0.000 0.646 319 A CB -0.678 18.409 19.000 0.144 0.000 0.806 319 A HN 0.099 nan 8.150 nan 0.000 0.448 320 F N 0.040 120.014 119.950 0.039 0.000 2.163 320 F HA -0.025 4.502 4.527 0.001 0.000 0.297 320 F C 2.238 178.058 175.800 0.033 0.000 1.094 320 F CA 1.729 59.753 58.000 0.040 0.000 1.290 320 F CB -0.245 38.780 39.000 0.040 0.000 1.017 320 F HN 0.166 nan 8.300 nan 0.000 0.483 321 K N 0.755 121.288 120.400 0.222 0.000 2.063 321 K HA -0.173 4.147 4.320 0.001 0.000 0.208 321 K C 2.265 178.910 176.600 0.075 0.000 1.048 321 K CA 1.909 58.267 56.287 0.118 0.000 0.928 321 K CB -0.682 31.863 32.500 0.076 0.000 0.713 321 K HN 0.198 nan 8.250 nan 0.000 0.442 322 S N -0.537 115.202 115.700 0.065 0.000 2.402 322 S HA -0.009 4.462 4.470 0.001 0.000 0.229 322 S C 1.992 176.603 174.600 0.017 0.000 1.021 322 S CA 0.844 59.063 58.200 0.033 0.000 0.974 322 S CB -0.347 62.873 63.200 0.033 0.000 0.800 322 S HN 0.342 nan 8.310 nan 0.000 0.484 323 A N 1.199 124.029 122.820 0.015 0.000 2.238 323 A HA 0.291 4.611 4.320 0.001 0.000 0.208 323 A C 0.817 178.445 177.584 0.073 0.000 1.177 323 A CA 0.175 52.219 52.037 0.013 0.000 0.804 323 A CB -0.598 18.366 19.000 -0.059 0.000 0.823 323 A HN 0.572 nan 8.150 nan 0.000 0.482 324 K N -0.830 119.612 120.400 0.070 0.000 3.148 324 K HA -0.165 4.155 4.320 0.001 0.000 0.267 324 K C -0.968 175.764 176.600 0.221 0.000 0.996 324 K CA 0.678 57.039 56.287 0.124 0.000 0.737 324 K CB -2.090 30.421 32.500 0.018 0.000 1.308 324 K HN 0.519 nan 8.250 nan 0.000 0.470 325 L N 1.064 122.371 121.223 0.140 0.000 2.322 325 L HA 0.337 4.678 4.340 0.001 0.000 0.281 325 L C 0.388 177.404 176.870 0.245 0.000 1.014 325 L CA -1.060 53.848 54.840 0.114 0.000 0.815 325 L CB 1.364 43.392 42.059 -0.051 0.000 1.247 325 L HN -0.008 nan 8.230 nan 0.000 0.421 326 D N 1.765 122.257 120.400 0.154 0.000 2.339 326 D HA 0.343 4.983 4.640 0.001 0.000 0.245 326 D C -0.197 176.239 176.300 0.226 0.000 1.115 326 D CA -0.106 53.973 54.000 0.131 0.000 0.917 326 D CB 2.079 42.889 40.800 0.016 0.000 1.192 326 D HN 0.006 nan 8.370 nan 0.000 0.428 327 V N 1.138 121.133 119.914 0.135 0.000 2.732 327 V HA 0.489 4.609 4.120 0.001 0.000 0.310 327 V C 0.431 176.621 176.094 0.160 0.000 1.053 327 V CA -0.461 61.883 62.300 0.074 0.000 0.957 327 V CB 2.056 33.738 31.823 -0.235 0.000 1.018 327 V HN 0.500 nan 8.190 nan 0.000 0.452 328 T N 3.914 118.612 114.554 0.240 0.000 2.841 328 T HA 0.590 4.940 4.350 0.001 0.000 0.285 328 T C -1.140 173.721 174.700 0.269 0.000 0.991 328 T CA -0.124 62.156 62.100 0.300 0.000 0.966 328 T CB 0.975 70.065 68.868 0.370 0.000 0.962 328 T HN 0.421 nan 8.240 nan 0.000 0.438 329 F N 1.565 121.612 119.950 0.162 0.000 2.538 329 F HA 0.714 5.242 4.527 0.001 0.000 0.325 329 F C 0.576 176.453 175.800 0.128 0.000 1.066 329 F CA -0.308 57.763 58.000 0.118 0.000 0.946 329 F CB 2.161 41.229 39.000 0.113 0.000 1.199 329 F HN 0.505 nan 8.300 nan 0.000 0.473 330 T N 0.604 114.892 114.554 -0.443 0.000 2.844 330 T HA 0.341 4.692 4.350 0.001 0.000 0.274 330 T C -0.034 174.645 174.700 -0.035 0.000 0.991 330 T CA 0.214 62.224 62.100 -0.150 0.000 0.983 330 T CB 0.805 69.568 68.868 -0.174 0.000 1.310 330 T HN 0.876 nan 8.240 nan 0.000 0.596 331 C N 0.545 119.856 119.300 0.019 0.000 4.465 331 C HA -0.098 4.363 4.460 0.001 0.000 0.274 331 C C 1.864 176.876 174.990 0.036 0.000 1.337 331 C CA 0.235 59.273 59.018 0.033 0.000 1.822 331 C CB -2.807 24.965 27.740 0.054 0.000 1.357 331 C HN 0.767 nan 8.230 nan 0.000 0.753 332 L N 1.221 122.476 121.223 0.054 0.000 2.456 332 L HA -0.098 4.243 4.340 0.001 0.000 0.224 332 L C 2.522 179.357 176.870 -0.059 0.000 1.148 332 L CA 2.060 56.880 54.840 -0.034 0.000 0.825 332 L CB -0.481 41.501 42.059 -0.130 0.000 0.937 332 L HN 0.707 nan 8.230 nan 0.000 0.450 333 E N 0.040 120.233 120.200 -0.011 0.000 2.478 333 E HA -0.023 4.328 4.350 0.001 0.000 0.194 333 E C 0.795 177.368 176.600 -0.045 0.000 1.045 333 E CA 0.056 56.440 56.400 -0.026 0.000 0.868 333 E CB 0.170 29.880 29.700 0.017 0.000 0.885 333 E HN 0.375 nan 8.360 nan 0.000 0.505 334 M N 1.416 120.979 119.600 -0.060 0.000 2.368 334 M HA 0.239 4.719 4.480 0.001 0.000 0.311 334 M C 0.104 176.361 176.300 -0.071 0.000 1.168 334 M CA -0.311 54.939 55.300 -0.084 0.000 1.044 334 M CB 1.801 34.307 32.600 -0.158 0.000 1.506 334 M HN -0.054 nan 8.290 nan 0.000 0.475 335 T N -2.551 111.965 114.554 -0.063 0.000 2.932 335 T HA 0.455 4.805 4.350 0.001 0.000 0.289 335 T C -0.715 173.961 174.700 -0.039 0.000 1.039 335 T CA -1.223 60.853 62.100 -0.039 0.000 1.024 335 T CB 1.135 69.992 68.868 -0.018 0.000 1.090 335 T HN 0.410 nan 8.240 nan 0.000 0.496 336 D N 0.933 121.317 120.400 -0.027 0.000 2.399 336 D HA 0.285 4.925 4.640 0.001 0.000 0.241 336 D C 0.795 177.102 176.300 0.013 0.000 1.133 336 D CA -0.239 53.752 54.000 -0.016 0.000 0.890 336 D CB 1.276 42.067 40.800 -0.016 0.000 1.201 336 D HN 0.564 nan 8.370 nan 0.000 0.432 337 K N 0.169 120.591 120.400 0.037 0.000 2.431 337 K HA 0.213 4.534 4.320 0.001 0.000 0.213 337 K C 0.905 177.542 176.600 0.063 0.000 1.258 337 K CA 0.237 56.551 56.287 0.044 0.000 0.845 337 K CB 0.347 32.876 32.500 0.049 0.000 1.498 337 K HN 0.524 nan 8.250 nan 0.000 0.451 338 G N 2.943 111.800 108.800 0.096 0.000 2.198 338 G HA2 -0.242 3.719 3.960 0.001 0.000 0.257 338 G HA3 -0.242 3.719 3.960 0.001 0.000 0.257 338 G C -0.093 174.897 174.900 0.149 0.000 1.042 338 G CA 0.656 45.854 45.100 0.163 0.000 0.791 338 G HN 0.434 nan 8.290 nan 0.000 0.502 339 S N -1.235 114.462 115.700 -0.005 0.000 2.600 339 S HA 0.710 5.180 4.470 0.001 0.000 0.300 339 S C -0.203 174.090 174.600 -0.510 0.000 1.087 339 S CA -0.918 57.204 58.200 -0.129 0.000 0.965 339 S CB 2.236 65.413 63.200 -0.038 0.000 1.089 339 S HN 1.330 nan 8.310 nan 0.000 0.496 340 Y N 3.127 122.998 120.300 -0.716 0.000 2.597 340 Y HA 0.377 4.928 4.550 0.001 0.000 0.336 340 Y C -1.572 174.102 175.900 -0.377 0.000 1.216 340 Y CA -1.044 56.570 58.100 -0.810 0.000 1.463 340 Y CB 0.780 39.032 38.460 -0.346 0.000 1.303 340 Y HN 0.598 nan 8.280 nan 0.000 0.576 341 P HA 0.081 nan 4.420 nan 0.000 0.259 341 P C 0.098 177.010 177.300 -0.646 0.000 1.233 341 P CA 0.594 62.899 63.100 -1.325 0.000 0.827 341 P CB 0.595 31.370 31.700 -1.542 0.000 1.154 342 E N -0.795 119.148 120.200 -0.429 0.000 2.347 342 E HA -0.080 4.271 4.350 0.001 0.000 0.196 342 E C -0.070 176.551 176.600 0.035 0.000 1.008 342 E CA 0.115 56.386 56.400 -0.214 0.000 0.852 342 E CB -1.269 28.315 29.700 -0.194 0.000 0.783 342 E HN 0.162 nan 8.360 nan 0.000 0.505 343 Y N 0.703 121.025 120.300 0.036 0.000 3.001 343 Y HA -0.270 4.280 4.550 0.001 0.000 0.207 343 Y C 0.198 176.208 175.900 0.185 0.000 1.231 343 Y CA 0.575 58.740 58.100 0.109 0.000 1.024 343 Y CB -2.210 36.310 38.460 0.100 0.000 1.267 343 Y HN -0.033 nan 8.280 nan 0.000 0.501 344 S N 1.531 117.400 115.700 0.283 0.000 2.475 344 S HA 0.643 5.114 4.470 0.001 0.000 0.281 344 S C 0.205 174.945 174.600 0.234 0.000 1.198 344 S CA -0.769 57.658 58.200 0.379 0.000 1.063 344 S CB 0.329 63.830 63.200 0.503 0.000 0.972 344 S HN 0.314 nan 8.310 nan 0.000 0.486 345 M N 7.421 127.106 119.600 0.141 0.000 2.693 345 M HA 0.283 4.764 4.480 0.001 0.000 0.224 345 M C -2.167 174.027 176.300 -0.176 0.000 1.149 345 M CA -2.155 53.073 55.300 -0.120 0.000 0.622 345 M CB 1.038 33.391 32.600 -0.411 0.000 1.443 345 M HN 0.447 nan 8.290 nan 0.000 0.431 346 P HA -0.115 nan 4.420 nan 0.000 0.216 346 P C 1.376 178.637 177.300 -0.066 0.000 1.153 346 P CA 1.321 64.382 63.100 -0.064 0.000 0.844 346 P CB 0.540 32.083 31.700 -0.261 0.000 0.787 347 K N -0.461 119.885 120.400 -0.090 0.000 2.057 347 K HA -0.067 4.253 4.320 0.001 0.000 0.206 347 K C 2.133 178.665 176.600 -0.113 0.000 1.050 347 K CA 1.710 57.948 56.287 -0.082 0.000 0.935 347 K CB -0.615 31.852 32.500 -0.055 0.000 0.715 347 K HN -0.062 nan 8.250 nan 0.000 0.439 348 T N 1.543 116.012 114.554 -0.141 0.000 2.746 348 T HA -0.147 4.204 4.350 0.001 0.000 0.267 348 T C 1.572 176.172 174.700 -0.167 0.000 1.039 348 T CA 1.233 63.242 62.100 -0.152 0.000 1.142 348 T CB -0.198 68.558 68.868 -0.186 0.000 0.866 348 T HN 0.105 nan 8.240 nan 0.000 0.444 349 L N 1.343 122.446 121.223 -0.199 0.000 2.012 349 L HA -0.064 4.277 4.340 0.001 0.000 0.210 349 L C 2.497 179.229 176.870 -0.231 0.000 1.073 349 L CA 1.538 56.307 54.840 -0.118 0.000 0.748 349 L CB -0.890 41.195 42.059 0.045 0.000 0.891 349 L HN 0.097 nan 8.230 nan 0.000 0.431 350 V N -0.366 119.471 119.914 -0.128 0.000 2.287 350 V HA -0.377 3.743 4.120 0.001 0.000 0.248 350 V C 2.547 178.442 176.094 -0.332 0.000 1.053 350 V CA 2.157 64.337 62.300 -0.199 0.000 1.027 350 V CB -0.863 30.948 31.823 -0.019 0.000 0.646 350 V HN 0.576 nan 8.190 nan 0.000 0.447 351 Q N 0.119 119.718 119.800 -0.334 0.000 2.135 351 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 351 Q C 2.084 177.934 176.000 -0.250 0.000 0.981 351 Q CA 2.052 57.600 55.803 -0.425 0.000 0.856 351 Q CB -0.406 28.155 28.738 -0.295 0.000 0.902 351 Q HN 0.772 nan 8.270 nan 0.000 0.425 352 N N 0.371 118.948 118.700 -0.205 0.000 2.058 352 N HA -0.143 4.598 4.740 0.001 0.000 0.191 352 N C 1.730 177.081 175.510 -0.264 0.000 1.037 352 N CA 1.011 53.967 53.050 -0.157 0.000 0.848 352 N CB -0.024 38.412 38.487 -0.086 0.000 1.021 352 N HN 0.103 nan 8.380 nan 0.000 0.422 353 I N 1.606 121.887 120.570 -0.481 0.000 2.151 353 I HA -0.242 3.929 4.170 0.001 0.000 0.243 353 I C 2.488 178.367 176.117 -0.396 0.000 1.080 353 I CA 1.024 61.969 61.300 -0.591 0.000 1.339 353 I CB -1.747 35.575 38.000 -1.130 0.000 1.039 353 I HN 0.130 nan 8.210 nan 0.000 0.409 354 A N 0.534 123.151 122.820 -0.339 0.000 1.883 354 A HA -0.222 4.098 4.320 0.001 0.000 0.217 354 A C 2.464 179.972 177.584 -0.126 0.000 1.186 354 A CA 2.651 54.542 52.037 -0.244 0.000 0.624 354 A CB -1.185 17.729 19.000 -0.143 0.000 0.822 354 A HN 0.444 nan 8.150 nan 0.000 0.444 355 T N 0.602 115.121 114.554 -0.058 0.000 2.674 355 T HA -0.119 4.232 4.350 0.001 0.000 0.265 355 T C 1.856 176.537 174.700 -0.032 0.000 1.039 355 T CA 1.535 63.640 62.100 0.008 0.000 1.150 355 T CB -0.463 68.429 68.868 0.040 0.000 0.864 355 T HN 0.360 nan 8.240 nan 0.000 0.427 356 L N 0.782 121.966 121.223 -0.066 0.000 2.012 356 L HA -0.152 4.189 4.340 0.001 0.000 0.210 356 L C 3.125 179.947 176.870 -0.081 0.000 1.073 356 L CA 1.407 56.210 54.840 -0.061 0.000 0.748 356 L CB -0.847 41.167 42.059 -0.074 0.000 0.891 356 L HN 0.266 nan 8.230 nan 0.000 0.431 357 A N 0.409 123.147 122.820 -0.137 0.000 1.873 357 A HA -0.251 4.070 4.320 0.001 0.000 0.218 357 A C 2.076 179.605 177.584 -0.092 0.000 1.193 357 A CA 2.203 54.158 52.037 -0.136 0.000 0.629 357 A CB -0.705 18.174 19.000 -0.200 0.000 0.826 357 A HN 0.484 nan 8.150 nan 0.000 0.447 358 N N -0.459 118.190 118.700 -0.084 0.000 2.188 358 N HA -0.165 4.576 4.740 0.001 0.000 0.184 358 N C 1.787 177.282 175.510 -0.025 0.000 1.018 358 N CA 1.491 54.510 53.050 -0.051 0.000 0.858 358 N CB -0.373 38.094 38.487 -0.032 0.000 0.989 358 N HN 0.834 nan 8.380 nan 0.000 0.426 359 E N 1.395 121.583 120.200 -0.019 0.000 2.150 359 E HA -0.116 4.234 4.350 0.001 0.000 0.193 359 E C 1.183 177.778 176.600 -0.009 0.000 0.985 359 E CA 0.995 57.392 56.400 -0.006 0.000 0.814 359 E CB 0.113 29.813 29.700 0.001 0.000 0.752 359 E HN 0.219 nan 8.360 nan 0.000 0.466 360 K N -0.690 119.700 120.400 -0.018 0.000 2.418 360 K HA 0.072 4.393 4.320 0.001 0.000 0.195 360 K C 0.885 177.481 176.600 -0.007 0.000 1.035 360 K CA 0.494 56.774 56.287 -0.012 0.000 1.003 360 K CB 0.373 32.865 32.500 -0.013 0.000 0.793 360 K HN 0.325 nan 8.250 nan 0.000 0.494 361 G N 1.883 110.675 108.800 -0.014 0.000 2.160 361 G HA2 -0.248 3.712 3.960 0.001 0.000 0.244 361 G HA3 -0.248 3.712 3.960 0.001 0.000 0.244 361 G C -0.046 174.852 174.900 -0.004 0.000 1.022 361 G CA -0.233 44.862 45.100 -0.008 0.000 0.741 361 G HN 0.211 nan 8.290 nan 0.000 0.508 362 I N 0.625 121.186 120.570 -0.015 0.000 2.353 362 I HA 0.317 4.488 4.170 0.001 0.000 0.293 362 I C 1.125 177.227 176.117 -0.025 0.000 0.992 362 I CA -1.098 60.199 61.300 -0.004 0.000 1.268 362 I CB 1.603 39.596 38.000 -0.012 0.000 1.387 362 I HN -0.118 nan 8.210 nan 0.000 0.478 363 V N 6.892 126.804 119.914 -0.004 0.000 2.673 363 V HA 0.011 4.132 4.120 0.001 0.000 0.303 363 V C 0.082 176.159 176.094 -0.028 0.000 1.046 363 V CA 0.124 62.417 62.300 -0.010 0.000 1.126 363 V CB 1.132 32.965 31.823 0.015 0.000 0.934 363 V HN 0.366 nan 8.190 nan 0.000 0.487 364 L N 6.227 127.409 121.223 -0.069 0.000 2.354 364 L HA 0.689 5.029 4.340 0.001 0.000 0.269 364 L C -0.330 176.575 176.870 0.058 0.000 1.005 364 L CA -0.008 54.763 54.840 -0.115 0.000 0.819 364 L CB 2.041 43.846 42.059 -0.423 0.000 1.311 364 L HN 0.705 nan 8.230 nan 0.000 0.423 365 N N 2.232 121.089 118.700 0.261 0.000 2.329 365 N HA 0.735 5.476 4.740 0.001 0.000 0.282 365 N C -1.063 174.839 175.510 0.653 0.000 1.198 365 N CA -0.538 52.810 53.050 0.498 0.000 0.790 365 N CB 2.295 41.001 38.487 0.365 0.000 1.579 365 N HN 0.779 nan 8.380 nan 0.000 0.475 366 G N -0.215 108.910 108.800 0.543 0.000 2.630 366 G HA2 0.696 4.657 3.960 0.001 0.000 0.296 366 G HA3 0.696 4.657 3.960 0.001 0.000 0.296 366 G C -1.183 173.766 174.900 0.082 0.000 1.285 366 G CA -0.381 44.910 45.100 0.319 0.000 0.958 366 G HN 0.480 nan 8.290 nan 0.000 0.479 367 E N -0.266 119.972 120.200 0.064 0.000 2.413 367 E HA 0.223 4.573 4.350 0.001 0.000 0.277 367 E C -0.858 175.835 176.600 0.156 0.000 0.958 367 E CA -1.039 55.301 56.400 -0.101 0.000 0.779 367 E CB 2.100 31.739 29.700 -0.102 0.000 1.278 367 E HN 0.629 nan 8.360 nan 0.000 0.456 368 N N 0.267 119.086 118.700 0.199 0.000 2.483 368 N HA 0.259 4.999 4.740 0.001 0.000 0.269 368 N C 0.058 175.623 175.510 0.090 0.000 1.209 368 N CA -0.151 53.030 53.050 0.219 0.000 0.969 368 N CB 1.448 40.101 38.487 0.277 0.000 1.173 368 N HN 0.509 nan 8.380 nan 0.000 0.475 369 A N 0.929 123.786 122.820 0.063 0.000 1.924 369 A HA 0.244 4.564 4.320 0.001 0.000 0.211 369 A C 1.003 178.606 177.584 0.033 0.000 1.198 369 A CA 0.467 52.530 52.037 0.043 0.000 0.657 369 A CB -0.082 18.949 19.000 0.052 0.000 0.852 369 A HN 0.600 nan 8.150 nan 0.000 0.454 370 L N -1.115 120.122 121.223 0.024 0.000 2.271 370 L HA 0.424 4.764 4.340 0.001 0.000 0.265 370 L C 0.130 177.016 176.870 0.027 0.000 1.013 370 L CA -0.866 53.979 54.840 0.009 0.000 0.820 370 L CB 1.760 43.805 42.059 -0.023 0.000 1.352 370 L HN -0.005 nan 8.230 nan 0.000 0.443 371 S N 0.707 116.418 115.700 0.018 0.000 2.562 371 S HA 0.367 4.837 4.470 0.001 0.000 0.281 371 S C -0.197 174.406 174.600 0.005 0.000 1.333 371 S CA -0.269 57.949 58.200 0.029 0.000 1.052 371 S CB 0.129 63.343 63.200 0.022 0.000 0.884 371 S HN 0.226 nan 8.310 nan 0.000 0.506 372 I N 2.580 123.152 120.570 0.003 0.000 2.315 372 I HA 0.313 4.483 4.170 0.001 0.000 0.291 372 I C 1.214 177.248 176.117 -0.138 0.000 1.006 372 I CA -0.198 61.039 61.300 -0.105 0.000 1.265 372 I CB 1.316 39.219 38.000 -0.161 0.000 1.387 372 I HN 0.828 nan 8.210 nan 0.000 0.475 373 G N 4.695 113.409 108.800 -0.142 0.000 3.192 373 G HA2 0.060 4.020 3.960 0.001 0.000 0.239 373 G HA3 0.060 4.020 3.960 0.001 0.000 0.239 373 G C 0.021 174.839 174.900 -0.138 0.000 1.084 373 G CA -0.025 45.015 45.100 -0.100 0.000 0.784 373 G HN 0.643 nan 8.290 nan 0.000 0.540 374 N N -1.047 117.511 118.700 -0.236 0.000 2.396 374 N HA 0.159 4.899 4.740 0.001 0.000 0.275 374 N C 0.839 176.185 175.510 -0.273 0.000 1.218 374 N CA -0.359 52.583 53.050 -0.179 0.000 0.812 374 N CB 1.119 39.548 38.487 -0.096 0.000 1.592 374 N HN 0.024 nan 8.380 nan 0.000 0.480 375 E N 0.212 120.343 120.200 -0.115 0.000 2.268 375 E HA -0.149 4.202 4.350 0.001 0.000 0.195 375 E C 0.152 176.752 176.600 0.000 0.000 0.995 375 E CA 0.866 57.265 56.400 -0.003 0.000 0.836 375 E CB -0.096 29.668 29.700 0.107 0.000 0.763 375 E HN 0.606 nan 8.360 nan 0.000 0.491 376 E N 1.534 121.714 120.200 -0.033 0.000 2.150 376 E HA -0.166 4.184 4.350 0.001 0.000 0.193 376 E C 1.767 178.351 176.600 -0.026 0.000 0.985 376 E CA 1.102 57.493 56.400 -0.014 0.000 0.814 376 E CB -0.080 29.610 29.700 -0.016 0.000 0.752 376 E HN 0.600 nan 8.360 nan 0.000 0.466 377 E N -0.028 120.125 120.200 -0.078 0.000 2.150 377 E HA -0.148 4.202 4.350 0.001 0.000 0.193 377 E C 1.752 178.352 176.600 -0.000 0.000 0.985 377 E CA 0.634 56.993 56.400 -0.069 0.000 0.814 377 E CB -0.201 29.430 29.700 -0.116 0.000 0.752 377 E HN 0.251 nan 8.360 nan 0.000 0.466 378 Y N 1.530 121.806 120.300 -0.040 0.000 2.242 378 Y HA -0.097 4.453 4.550 0.000 0.000 0.291 378 Y C 2.070 177.881 175.900 -0.149 0.000 1.137 378 Y CA 0.580 58.628 58.100 -0.087 0.000 1.181 378 Y CB -0.275 38.162 38.460 -0.039 0.000 0.989 378 Y HN -0.085 nan 8.280 nan 0.000 0.527 379 K N -0.184 120.255 120.400 0.064 0.000 2.063 379 K HA -0.181 4.140 4.320 0.001 0.000 0.208 379 K C 2.265 178.836 176.600 -0.049 0.000 1.048 379 K CA 1.391 57.675 56.287 -0.004 0.000 0.928 379 K CB -0.133 32.376 32.500 0.014 0.000 0.713 379 K HN 0.228 nan 8.250 nan 0.000 0.442 380 R N 0.338 120.812 120.500 -0.045 0.000 2.073 380 R HA -0.108 4.233 4.340 0.001 0.000 0.234 380 R C 2.326 178.543 176.300 -0.139 0.000 1.134 380 R CA 1.299 57.361 56.100 -0.063 0.000 0.952 380 R CB -0.513 29.760 30.300 -0.044 0.000 0.850 380 R HN 0.026 nan 8.270 nan 0.000 0.433 381 V N 1.191 120.996 119.914 -0.181 0.000 2.255 381 V HA -0.293 3.827 4.120 0.001 0.000 0.247 381 V C 2.515 178.310 176.094 -0.499 0.000 1.051 381 V CA 2.093 64.169 62.300 -0.373 0.000 1.018 381 V CB -0.820 30.672 31.823 -0.550 0.000 0.641 381 V HN 0.433 nan 8.190 nan 0.000 0.445 382 A N -0.564 121.988 122.820 -0.447 0.000 1.908 382 A HA -0.314 4.006 4.320 0.001 0.000 0.218 382 A C 2.293 179.668 177.584 -0.349 0.000 1.181 382 A CA 2.185 53.916 52.037 -0.510 0.000 0.627 382 A CB -0.600 18.288 19.000 -0.186 0.000 0.818 382 A HN 0.679 nan 8.150 nan 0.000 0.445 383 E N -0.735 119.353 120.200 -0.186 0.000 2.049 383 E HA -0.244 4.106 4.350 0.001 0.000 0.198 383 E C 2.008 178.529 176.600 -0.131 0.000 1.007 383 E CA 1.822 58.149 56.400 -0.121 0.000 0.809 383 E CB -0.221 29.465 29.700 -0.023 0.000 0.749 383 E HN 0.508 nan 8.360 nan 0.000 0.450 384 M N 0.451 119.973 119.600 -0.130 0.000 2.086 384 M HA -0.089 4.392 4.480 0.001 0.000 0.261 384 M C 2.515 178.764 176.300 -0.086 0.000 1.067 384 M CA 1.508 56.789 55.300 -0.032 0.000 1.116 384 M CB -1.312 31.182 32.600 -0.177 0.000 1.348 384 M HN 0.238 nan 8.290 nan 0.000 0.407 385 A N 0.057 122.592 122.820 -0.475 0.000 1.877 385 A HA -0.136 4.184 4.320 0.001 0.000 0.216 385 A C 1.780 179.182 177.584 -0.303 0.000 1.186 385 A CA 1.551 53.263 52.037 -0.541 0.000 0.620 385 A CB -0.846 17.543 19.000 -1.019 0.000 0.822 385 A HN 0.406 nan 8.150 nan 0.000 0.443 386 F N -0.161 119.698 119.950 -0.152 0.000 2.743 386 F HA 0.139 4.667 4.527 0.000 0.000 0.297 386 F C 1.873 177.555 175.800 -0.196 0.000 1.131 386 F CA 0.170 58.052 58.000 -0.197 0.000 1.426 386 F CB -0.203 38.620 39.000 -0.296 0.000 1.116 386 F HN 0.231 nan 8.300 nan 0.000 0.583 387 N N -1.542 117.092 118.700 -0.111 0.000 2.294 387 N HA -0.011 4.730 4.740 0.001 0.000 0.186 387 N C 0.276 175.525 175.510 -0.434 0.000 1.107 387 N CA 0.454 53.256 53.050 -0.414 0.000 0.884 387 N CB 0.195 38.039 38.487 -1.073 0.000 1.030 387 N HN 0.271 nan 8.380 nan 0.000 0.482 388 Y N 0.801 121.135 120.300 0.057 0.000 2.708 388 Y HA 0.210 4.760 4.550 0.000 0.000 0.287 388 Y C 0.357 176.276 175.900 0.031 0.000 1.145 388 Y CA -0.532 57.627 58.100 0.099 0.000 1.249 388 Y CB -0.139 38.437 38.460 0.193 0.000 1.152 388 Y HN -0.077 nan 8.280 nan 0.000 0.532 389 N N 0.036 118.820 118.700 0.139 0.000 2.754 389 N HA -0.249 4.491 4.740 0.001 0.000 0.248 389 N C -1.019 174.532 175.510 0.069 0.000 1.093 389 N CA 0.179 53.277 53.050 0.081 0.000 0.699 389 N CB -1.751 36.739 38.487 0.004 0.000 1.016 389 N HN 0.209 nan 8.380 nan 0.000 0.552 390 F N 0.095 120.120 119.950 0.126 0.000 2.543 390 F HA 0.305 4.833 4.527 0.001 0.000 0.375 390 F C 1.822 177.758 175.800 0.227 0.000 1.075 390 F CA 0.504 58.602 58.000 0.162 0.000 1.225 390 F CB 0.564 39.665 39.000 0.168 0.000 1.099 390 F HN 0.244 nan 8.300 nan 0.000 0.561 391 A N 3.108 126.090 122.820 0.271 0.000 2.119 391 A HA 0.416 4.736 4.320 0.001 0.000 0.216 391 A C 1.114 178.807 177.584 0.182 0.000 1.152 391 A CA 1.115 53.278 52.037 0.210 0.000 0.708 391 A CB -0.585 18.485 19.000 0.116 0.000 0.805 391 A HN 0.853 nan 8.150 nan 0.000 0.460 392 G N -2.300 106.653 108.800 0.255 0.000 2.673 392 G HA2 0.477 4.438 3.960 0.001 0.000 0.292 392 G HA3 0.477 4.438 3.960 0.001 0.000 0.292 392 G C -1.673 173.387 174.900 0.267 0.000 1.450 392 G CA -0.471 44.657 45.100 0.047 0.000 0.837 392 G HN 0.435 nan 8.290 nan 0.000 0.505 393 F N 0.994 120.920 119.950 -0.040 0.000 2.574 393 F HA 0.739 5.267 4.527 0.000 0.000 0.313 393 F C -0.529 175.378 175.800 0.178 0.000 1.130 393 F CA -0.528 57.543 58.000 0.119 0.000 0.936 393 F CB 2.416 41.501 39.000 0.142 0.000 1.219 393 F HN 0.473 nan 8.300 nan 0.000 0.445 394 T N 6.957 121.025 114.554 -0.810 0.000 2.829 394 T HA 0.502 4.852 4.350 0.001 0.000 0.280 394 T C -1.331 172.889 174.700 -0.800 0.000 0.999 394 T CA -0.470 61.379 62.100 -0.419 0.000 0.983 394 T CB 1.490 70.278 68.868 -0.133 0.000 0.968 394 T HN 0.563 nan 8.240 nan 0.000 0.446 395 L N 4.273 125.342 121.223 -0.257 0.000 2.264 395 L HA 0.523 4.864 4.340 0.001 0.000 0.289 395 L C -1.296 175.544 176.870 -0.049 0.000 1.044 395 L CA -0.569 54.247 54.840 -0.040 0.000 0.807 395 L CB 0.308 42.454 42.059 0.144 0.000 1.192 395 L HN 0.457 nan 8.230 nan 0.000 0.425 396 L N 6.501 127.721 121.223 -0.005 0.000 2.257 396 L HA 0.617 4.958 4.340 0.001 0.000 0.290 396 L C 0.087 176.986 176.870 0.048 0.000 1.044 396 L CA 0.274 55.118 54.840 0.006 0.000 0.810 396 L CB 0.882 42.943 42.059 0.004 0.000 1.193 396 L HN 0.633 nan 8.230 nan 0.000 0.425 397 R N 1.069 121.589 120.500 0.033 0.000 2.692 397 R HA 0.169 4.509 4.340 0.001 0.000 0.269 397 R C 0.378 176.692 176.300 0.025 0.000 1.030 397 R CA -0.733 55.382 56.100 0.025 0.000 0.882 397 R CB 0.946 31.278 30.300 0.053 0.000 1.250 397 R HN 0.424 nan 8.270 nan 0.000 0.465 398 Y N 1.849 122.076 120.300 -0.123 0.000 2.044 398 Y HA -0.516 4.035 4.550 0.001 0.000 0.212 398 Y C 2.287 178.071 175.900 -0.192 0.000 1.239 398 Y CA 3.101 61.107 58.100 -0.157 0.000 0.969 398 Y CB -0.027 38.387 38.460 -0.077 0.000 0.768 398 Y HN 0.658 nan 8.280 nan 0.000 0.544 399 Q N -0.464 119.413 119.800 0.128 0.000 2.368 399 Q HA -0.185 4.155 4.340 0.001 0.000 0.210 399 Q C 1.291 177.250 176.000 -0.068 0.000 0.982 399 Q CA 1.736 57.514 55.803 -0.042 0.000 0.884 399 Q CB -0.501 28.364 28.738 0.211 0.000 0.933 399 Q HN 0.610 nan 8.270 nan 0.000 0.460 400 D N 1.384 121.770 120.400 -0.024 0.000 2.123 400 D HA -0.090 4.550 4.640 0.001 0.000 0.200 400 D C 2.194 178.504 176.300 0.015 0.000 0.976 400 D CA 1.804 55.817 54.000 0.023 0.000 0.831 400 D CB 0.068 40.896 40.800 0.047 0.000 0.974 400 D HN 0.371 nan 8.370 nan 0.000 0.469 401 V N -1.582 118.301 119.914 -0.050 0.000 2.685 401 V HA 0.042 4.162 4.120 0.001 0.000 0.244 401 V C 2.270 178.313 176.094 -0.086 0.000 1.054 401 V CA 0.495 62.781 62.300 -0.024 0.000 1.076 401 V CB -0.498 31.304 31.823 -0.036 0.000 0.725 401 V HN -0.085 nan 8.190 nan 0.000 0.467 402 M N 0.529 119.927 119.600 -0.338 0.000 2.213 402 M HA -0.000 4.480 4.480 0.001 0.000 0.263 402 M C 1.320 177.472 176.300 -0.247 0.000 1.062 402 M CA 1.881 56.927 55.300 -0.424 0.000 1.105 402 M CB -0.416 31.638 32.600 -0.910 0.000 1.385 402 M HN 0.546 nan 8.290 nan 0.000 0.417 403 Y N -1.445 118.905 120.300 0.084 0.000 2.720 403 Y HA 0.435 4.985 4.550 0.001 0.000 0.277 403 Y C 0.237 176.190 175.900 0.089 0.000 1.144 403 Y CA -1.139 57.011 58.100 0.082 0.000 1.221 403 Y CB -0.494 38.008 38.460 0.070 0.000 1.163 403 Y HN 0.127 nan 8.280 nan 0.000 0.537 404 N N 0.834 119.655 118.700 0.201 0.000 2.675 404 N HA 0.087 4.828 4.740 0.001 0.000 0.254 404 N C -0.277 175.349 175.510 0.194 0.000 1.224 404 N CA 0.114 53.267 53.050 0.172 0.000 0.777 404 N CB 0.279 38.850 38.487 0.140 0.000 1.256 404 N HN 0.112 nan 8.380 nan 0.000 0.531 405 N N 0.039 118.868 118.700 0.215 0.000 2.289 405 N HA -0.070 4.670 4.740 0.001 0.000 0.184 405 N C 1.421 177.062 175.510 0.219 0.000 1.016 405 N CA 1.019 54.234 53.050 0.275 0.000 0.872 405 N CB 0.273 38.916 38.487 0.261 0.000 0.973 405 N HN 0.345 nan 8.380 nan 0.000 0.433 406 S N 0.377 116.177 115.700 0.167 0.000 2.343 406 S HA -0.006 4.464 4.470 0.001 0.000 0.219 406 S C 1.864 176.567 174.600 0.172 0.000 1.033 406 S CA 0.772 59.059 58.200 0.145 0.000 1.014 406 S CB -0.317 62.952 63.200 0.114 0.000 0.915 406 S HN 0.252 nan 8.310 nan 0.000 0.435 407 L N 0.580 121.917 121.223 0.189 0.000 2.083 407 L HA -0.138 4.203 4.340 0.001 0.000 0.209 407 L C 2.556 179.607 176.870 0.303 0.000 1.083 407 L CA 1.162 56.171 54.840 0.282 0.000 0.752 407 L CB -0.481 41.736 42.059 0.265 0.000 0.899 407 L HN 0.363 nan 8.230 nan 0.000 0.433 408 M N 0.479 120.208 119.600 0.214 0.000 2.106 408 M HA -0.147 4.333 4.480 0.001 0.000 0.259 408 M C 2.000 178.360 176.300 0.100 0.000 1.068 408 M CA 2.176 57.560 55.300 0.141 0.000 1.100 408 M CB -0.922 31.741 32.600 0.105 0.000 1.351 408 M HN 0.131 nan 8.290 nan 0.000 0.404 409 G N -0.031 108.837 108.800 0.112 0.000 2.408 409 G HA2 -0.180 3.781 3.960 0.001 0.000 0.217 409 G HA3 -0.180 3.781 3.960 0.001 0.000 0.217 409 G C 1.552 176.481 174.900 0.049 0.000 1.150 409 G CA 0.766 45.907 45.100 0.067 0.000 0.776 409 G HN 0.430 nan 8.290 nan 0.000 0.542 410 K N 0.044 120.512 120.400 0.113 0.000 2.097 410 K HA -0.006 4.314 4.320 0.001 0.000 0.205 410 K C 2.110 178.674 176.600 -0.059 0.000 1.050 410 K CA 0.586 56.937 56.287 0.107 0.000 0.938 410 K CB -0.588 32.082 32.500 0.283 0.000 0.718 410 K HN 0.418 nan 8.250 nan 0.000 0.442 411 F N 2.978 122.775 119.950 -0.256 0.000 2.102 411 F HA -0.192 4.335 4.527 0.000 0.000 0.298 411 F C 2.534 178.087 175.800 -0.410 0.000 1.105 411 F CA 1.707 59.340 58.000 -0.612 0.000 1.239 411 F CB -0.102 38.573 39.000 -0.542 0.000 0.991 411 F HN -0.072 nan 8.300 nan 0.000 0.474 412 K N 0.162 120.456 120.400 -0.177 0.000 2.063 412 K HA -0.280 4.041 4.320 0.001 0.000 0.208 412 K C 1.955 178.376 176.600 -0.297 0.000 1.048 412 K CA 2.123 58.256 56.287 -0.257 0.000 0.928 412 K CB -0.611 31.790 32.500 -0.165 0.000 0.713 412 K HN 0.386 nan 8.250 nan 0.000 0.442 413 D N 0.404 120.672 120.400 -0.220 0.000 2.084 413 D HA -0.162 4.478 4.640 0.001 0.000 0.194 413 D C 1.966 178.125 176.300 -0.235 0.000 0.990 413 D CA 1.522 55.411 54.000 -0.185 0.000 0.826 413 D CB -0.017 40.717 40.800 -0.110 0.000 0.971 413 D HN 0.321 nan 8.370 nan 0.000 0.453 414 L N -0.874 120.178 121.223 -0.285 0.000 2.209 414 L HA 0.112 4.453 4.340 0.001 0.000 0.207 414 L C 2.020 178.703 176.870 -0.312 0.000 1.094 414 L CA 0.464 55.148 54.840 -0.260 0.000 0.790 414 L CB 0.092 42.017 42.059 -0.222 0.000 0.932 414 L HN 0.113 nan 8.230 nan 0.000 0.447 415 L N -1.694 119.150 121.223 -0.631 0.000 2.840 415 L HA 0.272 4.612 4.340 0.001 0.000 0.249 415 L C 1.599 178.148 176.870 -0.536 0.000 1.119 415 L CA 0.017 54.476 54.840 -0.636 0.000 0.930 415 L CB 0.160 41.539 42.059 -1.134 0.000 1.295 415 L HN 0.115 nan 8.230 nan 0.000 0.534 416 G N 1.834 110.211 108.800 -0.705 0.000 3.392 416 G HA2 0.300 4.260 3.960 0.001 0.000 0.247 416 G HA3 0.300 4.260 3.960 0.001 0.000 0.247 416 G C 0.225 175.021 174.900 -0.174 0.000 1.161 416 G CA 0.124 45.001 45.100 -0.371 0.000 1.739 416 G HN 0.058 nan 8.290 nan 0.000 0.619 417 V N -2.741 117.134 119.914 -0.064 0.000 2.975 417 V HA 0.822 4.942 4.120 0.001 0.000 0.318 417 V C -0.096 175.990 176.094 -0.014 0.000 1.077 417 V CA -0.789 61.453 62.300 -0.096 0.000 1.000 417 V CB 1.932 33.616 31.823 -0.231 0.000 1.066 417 V HN -0.031 nan 8.190 nan 0.000 0.452 418 T N 4.475 118.986 114.554 -0.072 0.000 2.756 418 T HA 0.539 4.890 4.350 0.001 0.000 0.290 418 T C -2.729 171.916 174.700 -0.091 0.000 0.985 418 T CA -0.877 61.193 62.100 -0.049 0.000 0.955 418 T CB 1.386 70.222 68.868 -0.054 0.000 0.930 418 T HN 0.794 nan 8.240 nan 0.000 0.451 419 P HA 0.394 nan 4.420 nan 0.000 0.279 419 P C -0.928 176.315 177.300 -0.095 0.000 1.239 419 P CA -0.465 62.572 63.100 -0.105 0.000 0.789 419 P CB 1.105 32.770 31.700 -0.057 0.000 0.933 420 V N 4.845 124.689 119.914 -0.116 0.000 2.686 420 V HA 0.435 4.555 4.120 0.001 0.000 0.306 420 V C -0.398 175.646 176.094 -0.084 0.000 1.065 420 V CA -1.217 61.026 62.300 -0.096 0.000 0.894 420 V CB 2.047 33.799 31.823 -0.119 0.000 1.004 420 V HN 0.469 nan 8.190 nan 0.000 0.424 421 M N 6.567 126.136 119.600 -0.051 0.000 2.269 421 M HA 0.379 4.859 4.480 0.001 0.000 0.350 421 M C -0.434 175.860 176.300 -0.010 0.000 1.429 421 M CA 0.985 56.268 55.300 -0.029 0.000 1.063 421 M CB 0.222 32.814 32.600 -0.014 0.000 1.841 421 M HN 0.693 nan 8.290 nan 0.000 0.455 422 Q N 3.019 122.831 119.800 0.019 0.000 2.451 422 Q HA 0.536 4.877 4.340 0.001 0.000 0.281 422 Q C -1.099 174.972 176.000 0.118 0.000 1.099 422 Q CA -0.493 55.375 55.803 0.109 0.000 0.806 422 Q CB 2.228 31.081 28.738 0.192 0.000 1.419 422 Q HN 0.699 nan 8.270 nan 0.000 0.427 423 T N 2.034 116.681 114.554 0.155 0.000 2.756 423 T HA 0.538 4.889 4.350 0.001 0.000 0.290 423 T C 0.174 174.932 174.700 0.098 0.000 0.985 423 T CA -0.399 61.762 62.100 0.101 0.000 0.955 423 T CB 0.313 69.227 68.868 0.077 0.000 0.930 423 T HN 0.262 nan 8.240 nan 0.000 0.451 424 I N 4.185 124.786 120.570 0.051 0.000 2.336 424 I HA 0.473 4.643 4.170 0.001 0.000 0.292 424 I C -0.287 175.880 176.117 0.084 0.000 0.991 424 I CA -0.740 60.578 61.300 0.031 0.000 1.227 424 I CB 1.494 39.450 38.000 -0.074 0.000 1.366 424 I HN 0.285 nan 8.210 nan 0.000 0.466 425 V N 6.994 126.984 119.914 0.127 0.000 2.709 425 V HA 0.489 4.609 4.120 0.001 0.000 0.308 425 V C -0.252 175.956 176.094 0.190 0.000 1.062 425 V CA -0.690 61.693 62.300 0.138 0.000 0.901 425 V CB 2.747 34.626 31.823 0.093 0.000 1.003 425 V HN 0.435 nan 8.190 nan 0.000 0.425 426 V N 4.556 124.603 119.914 0.223 0.000 2.443 426 V HA 0.536 4.656 4.120 0.001 0.000 0.293 426 V C -0.262 175.989 176.094 0.262 0.000 1.021 426 V CA -0.955 61.502 62.300 0.262 0.000 0.848 426 V CB 1.802 33.815 31.823 0.317 0.000 0.998 426 V HN 0.751 nan 8.190 nan 0.000 0.424 427 K N 3.053 123.586 120.400 0.221 0.000 2.098 427 K HA 0.478 4.799 4.320 0.001 0.000 0.258 427 K C 0.194 176.924 176.600 0.215 0.000 0.973 427 K CA -0.607 55.797 56.287 0.195 0.000 0.898 427 K CB 0.762 33.343 32.500 0.135 0.000 1.057 427 K HN 0.705 nan 8.250 nan 0.000 0.447 428 N N -0.698 118.108 118.700 0.177 0.000 2.756 428 N HA -0.146 4.594 4.740 0.001 0.000 0.248 428 N C -0.861 174.683 175.510 0.055 0.000 1.062 428 N CA 0.429 53.558 53.050 0.133 0.000 0.696 428 N CB -1.833 36.743 38.487 0.149 0.000 0.946 428 N HN 0.251 nan 8.380 nan 0.000 0.548 429 V N 1.438 121.321 119.914 -0.051 0.000 2.432 429 V HA 0.281 4.401 4.120 0.001 0.000 0.271 429 V C -1.330 174.453 176.094 -0.518 0.000 1.046 429 V CA -1.070 60.900 62.300 -0.551 0.000 0.945 429 V CB 1.384 32.834 31.823 -0.621 0.000 0.992 429 V HN 0.114 nan 8.190 nan 0.000 0.471 430 P HA 0.183 nan 4.420 nan 0.000 0.238 430 P C -0.006 177.078 177.300 -0.360 0.000 1.794 430 P CA -0.064 62.810 63.100 -0.375 0.000 1.088 430 P CB -0.049 31.488 31.700 -0.273 0.000 1.923 431 T N -0.241 114.136 114.554 -0.294 0.000 2.944 431 T HA 0.673 5.023 4.350 0.001 0.000 0.284 431 T C 0.363 174.982 174.700 -0.135 0.000 1.010 431 T CA -0.499 61.452 62.100 -0.249 0.000 1.025 431 T CB 1.501 70.218 68.868 -0.252 0.000 1.079 431 T HN 0.323 nan 8.240 nan 0.000 0.516 432 T N -1.498 112.991 114.554 -0.107 0.000 2.907 432 T HA 0.665 5.015 4.350 0.001 0.000 0.290 432 T C -0.032 174.640 174.700 -0.048 0.000 1.066 432 T CA -1.144 60.915 62.100 -0.068 0.000 1.012 432 T CB 0.445 69.280 68.868 -0.054 0.000 1.184 432 T HN 0.634 nan 8.240 nan 0.000 0.522 433 I N 1.635 122.185 120.570 -0.034 0.000 2.710 433 I HA 0.409 4.580 4.170 0.001 0.000 0.286 433 I C 1.706 177.819 176.117 -0.007 0.000 1.181 433 I CA 1.012 62.301 61.300 -0.017 0.000 1.430 433 I CB -0.151 37.841 38.000 -0.014 0.000 1.367 433 I HN 1.153 nan 8.210 nan 0.000 0.577 434 G N 3.096 111.904 108.800 0.012 0.000 2.213 434 G HA2 -0.223 3.737 3.960 0.001 0.000 0.236 434 G HA3 -0.223 3.737 3.960 0.001 0.000 0.236 434 G C 0.013 174.920 174.900 0.011 0.000 0.991 434 G CA -0.294 44.817 45.100 0.019 0.000 0.629 434 G HN 0.602 nan 8.290 nan 0.000 0.517 435 D N 1.651 122.039 120.400 -0.020 0.000 2.372 435 D HA 0.528 5.169 4.640 0.001 0.000 0.243 435 D C 0.983 177.232 176.300 -0.085 0.000 1.121 435 D CA 1.264 55.219 54.000 -0.075 0.000 0.898 435 D CB 1.192 41.897 40.800 -0.160 0.000 1.202 435 D HN 0.505 nan 8.370 nan 0.000 0.428 436 T N -2.219 112.265 114.554 -0.117 0.000 2.908 436 T HA 0.639 4.989 4.350 0.001 0.000 0.290 436 T C -0.353 174.105 174.700 -0.404 0.000 1.034 436 T CA -0.933 61.069 62.100 -0.163 0.000 1.010 436 T CB 1.279 70.193 68.868 0.078 0.000 1.068 436 T HN 0.014 nan 8.240 nan 0.000 0.481 437 V N 2.560 122.024 119.914 -0.749 0.000 2.417 437 V HA 0.569 4.689 4.120 0.001 0.000 0.291 437 V C -1.197 174.516 176.094 -0.634 0.000 1.024 437 V CA -0.746 61.098 62.300 -0.761 0.000 0.861 437 V CB 0.462 31.600 31.823 -1.142 0.000 0.985 437 V HN 0.894 nan 8.190 nan 0.000 0.436 438 Y N 3.904 123.743 120.300 -0.768 0.000 2.602 438 Y HA 0.760 5.310 4.550 0.001 0.000 0.342 438 Y C 0.185 175.812 175.900 -0.455 0.000 1.029 438 Y CA -1.082 56.619 58.100 -0.666 0.000 1.080 438 Y CB 2.001 39.904 38.460 -0.928 0.000 1.284 438 Y HN 0.652 nan 8.280 nan 0.000 0.485 439 I N -1.274 119.314 120.570 0.030 0.000 2.797 439 I HA 0.924 5.095 4.170 0.001 0.000 0.307 439 I C -0.608 175.706 176.117 0.328 0.000 1.033 439 I CA -0.671 60.747 61.300 0.197 0.000 1.071 439 I CB 2.394 40.469 38.000 0.125 0.000 1.255 439 I HN 0.521 nan 8.210 nan 0.000 0.445 440 T N 1.740 116.536 114.554 0.404 0.000 2.889 440 T HA 0.802 5.153 4.350 0.001 0.000 0.315 440 T C -0.660 174.019 174.700 -0.035 0.000 1.291 440 T CA -0.137 62.122 62.100 0.264 0.000 1.028 440 T CB 1.728 70.857 68.868 0.435 0.000 1.235 440 T HN 1.252 nan 8.240 nan 0.000 0.491 441 G N 1.691 110.210 108.800 -0.468 0.000 2.682 441 G HA2 0.395 4.355 3.960 0.001 0.000 0.303 441 G HA3 0.395 4.355 3.960 0.001 0.000 0.303 441 G C 0.478 174.522 174.900 -1.428 0.000 1.341 441 G CA -0.041 44.416 45.100 -1.073 0.000 0.784 441 G HN 0.682 nan 8.290 nan 0.000 0.497 442 N N -0.397 117.626 118.700 -1.127 0.000 2.188 442 N HA -0.048 4.692 4.740 0.001 0.000 0.184 442 N C 0.874 176.196 175.510 -0.313 0.000 1.018 442 N CA 0.676 53.343 53.050 -0.638 0.000 0.858 442 N CB -0.164 38.305 38.487 -0.031 0.000 0.989 442 N HN 0.463 nan 8.380 nan 0.000 0.426 443 R N -0.390 119.965 120.500 -0.242 0.000 2.649 443 R HA 0.406 4.747 4.340 0.001 0.000 0.270 443 R C 1.318 177.524 176.300 -0.156 0.000 1.105 443 R CA 0.192 56.191 56.100 -0.167 0.000 1.193 443 R CB 0.324 30.517 30.300 -0.178 0.000 1.120 443 R HN 0.230 nan 8.270 nan 0.000 0.561 444 A N 1.615 124.379 122.820 -0.093 0.000 1.978 444 A HA -0.199 4.122 4.320 0.001 0.000 0.220 444 A C 1.718 179.255 177.584 -0.078 0.000 1.170 444 A CA 1.627 53.637 52.037 -0.045 0.000 0.636 444 A CB -0.348 18.685 19.000 0.055 0.000 0.810 444 A HN 0.799 nan 8.150 nan 0.000 0.448 445 E N -0.360 119.729 120.200 -0.184 0.000 2.265 445 E HA -0.079 4.272 4.350 0.001 0.000 0.196 445 E C 1.281 177.754 176.600 -0.212 0.000 0.996 445 E CA 0.873 57.093 56.400 -0.300 0.000 0.832 445 E CB -0.202 29.191 29.700 -0.512 0.000 0.756 445 E HN 0.643 nan 8.360 nan 0.000 0.491 446 L N -1.223 119.883 121.223 -0.194 0.000 2.667 446 L HA 0.305 4.646 4.340 0.001 0.000 0.232 446 L C 1.101 177.911 176.870 -0.101 0.000 1.138 446 L CA 0.196 54.936 54.840 -0.167 0.000 0.921 446 L CB 0.470 42.397 42.059 -0.219 0.000 1.180 446 L HN 0.267 nan 8.230 nan 0.000 0.487 447 G N -0.984 107.770 108.800 -0.076 0.000 2.132 447 G HA2 -0.301 3.659 3.960 0.001 0.000 0.234 447 G HA3 -0.301 3.659 3.960 0.001 0.000 0.234 447 G C 0.564 175.524 174.900 0.100 0.000 0.989 447 G CA 0.079 45.210 45.100 0.052 0.000 0.676 447 G HN 0.186 nan 8.290 nan 0.000 0.522 448 S N -1.797 113.870 115.700 -0.055 0.000 3.491 448 S HA -0.296 4.174 4.470 0.001 0.000 0.371 448 S C 1.182 175.839 174.600 0.094 0.000 0.980 448 S CA 1.832 59.997 58.200 -0.057 0.000 1.204 448 S CB -1.957 61.287 63.200 0.073 0.000 0.915 448 S HN 1.826 nan 8.310 nan 0.000 0.482 449 W N -2.242 119.129 121.300 0.118 0.000 2.303 449 W HA -0.245 4.415 4.660 0.000 0.000 0.267 449 W C 0.269 176.846 176.519 0.097 0.000 1.054 449 W CA 0.399 57.805 57.345 0.103 0.000 0.501 449 W CB -1.583 27.898 29.460 0.034 0.000 2.076 449 W HN 0.598 nan 8.180 nan 0.000 1.317 450 D N 0.571 121.136 120.400 0.274 0.000 2.390 450 D HA 0.277 4.917 4.640 0.001 0.000 0.249 450 D C 1.356 177.725 176.300 0.115 0.000 1.144 450 D CA 1.397 55.495 54.000 0.164 0.000 0.880 450 D CB 1.135 42.020 40.800 0.141 0.000 1.182 450 D HN 0.088 nan 8.370 nan 0.000 0.451 451 T N 0.553 115.108 114.554 0.001 0.000 3.001 451 T HA 0.091 4.442 4.350 0.001 0.000 0.251 451 T C 1.479 176.127 174.700 -0.086 0.000 1.040 451 T CA -0.195 61.829 62.100 -0.126 0.000 0.985 451 T CB 0.171 68.759 68.868 -0.466 0.000 1.011 451 T HN 0.189 nan 8.240 nan 0.000 0.509 452 K N 1.683 122.028 120.400 -0.092 0.000 2.044 452 K HA 0.041 4.362 4.320 0.001 0.000 0.204 452 K C 2.133 178.651 176.600 -0.137 0.000 1.045 452 K CA 1.430 57.649 56.287 -0.114 0.000 0.951 452 K CB 0.099 32.533 32.500 -0.110 0.000 0.738 452 K HN 0.675 nan 8.250 nan 0.000 0.443 453 Q N -2.265 117.399 119.800 -0.228 0.000 2.211 453 Q HA 0.086 4.426 4.340 0.001 0.000 0.242 453 Q C 0.592 176.550 176.000 -0.070 0.000 0.825 453 Q CA -0.032 55.642 55.803 -0.215 0.000 0.951 453 Q CB 0.378 28.905 28.738 -0.350 0.000 1.130 453 Q HN 0.134 nan 8.270 nan 0.000 0.496 454 Y N 1.677 121.980 120.300 0.003 0.000 2.481 454 Y HA 0.347 4.897 4.550 0.001 0.000 0.247 454 Y C -1.909 174.021 175.900 0.050 0.000 1.151 454 Y CA -2.644 55.455 58.100 -0.003 0.000 1.238 454 Y CB -0.371 38.083 38.460 -0.010 0.000 1.179 454 Y HN 0.069 nan 8.280 nan 0.000 0.524 455 P HA 0.029 nan 4.420 nan 0.000 0.270 455 P C 0.052 177.532 177.300 0.300 0.000 1.223 455 P CA 0.470 63.744 63.100 0.290 0.000 0.785 455 P CB 1.577 33.485 31.700 0.347 0.000 0.923 456 I N 1.079 121.785 120.570 0.228 0.000 2.428 456 I HA 0.249 4.419 4.170 0.001 0.000 0.296 456 I C 1.007 177.124 176.117 0.001 0.000 0.985 456 I CA -0.610 60.749 61.300 0.098 0.000 1.260 456 I CB 1.083 39.083 38.000 -0.000 0.000 1.389 456 I HN 0.373 nan 8.210 nan 0.000 0.484 457 Q N 5.736 125.395 119.800 -0.235 0.000 2.235 457 Q HA 0.600 4.940 4.340 0.001 0.000 0.250 457 Q C -1.358 174.178 176.000 -0.773 0.000 0.909 457 Q CA -0.531 54.784 55.803 -0.813 0.000 0.910 457 Q CB 1.424 29.652 28.738 -0.851 0.000 1.223 457 Q HN 0.570 nan 8.270 nan 0.000 0.432 458 L N 2.414 123.173 121.223 -0.773 0.000 2.347 458 L HA 0.611 4.952 4.340 0.001 0.000 0.268 458 L C -1.083 175.392 176.870 -0.658 0.000 1.019 458 L CA -1.152 53.377 54.840 -0.517 0.000 0.806 458 L CB 1.050 43.058 42.059 -0.086 0.000 1.339 458 L HN 0.682 nan 8.230 nan 0.000 0.463 459 Y N -1.639 118.772 120.300 0.185 0.000 2.562 459 Y HA 0.309 4.860 4.550 0.001 0.000 0.345 459 Y C -0.882 174.855 175.900 -0.272 0.000 1.045 459 Y CA -0.814 57.289 58.100 0.005 0.000 1.028 459 Y CB 1.331 39.756 38.460 -0.059 0.000 1.297 459 Y HN 0.220 nan 8.280 nan 0.000 0.463 460 Y N 2.610 122.511 120.300 -0.665 0.000 2.365 460 Y HA 0.281 4.831 4.550 0.001 0.000 0.340 460 Y C -0.208 175.437 175.900 -0.426 0.000 1.016 460 Y CA -0.822 56.701 58.100 -0.961 0.000 1.196 460 Y CB 0.578 38.266 38.460 -1.286 0.000 1.167 460 Y HN 0.562 nan 8.280 nan 0.000 0.509 461 D N 4.188 124.111 120.400 -0.795 0.000 2.456 461 D HA 0.119 4.759 4.640 0.001 0.000 0.219 461 D C 0.673 176.436 176.300 -0.895 0.000 1.126 461 D CA 0.128 53.787 54.000 -0.570 0.000 0.890 461 D CB 0.904 41.524 40.800 -0.300 0.000 1.025 461 D HN 0.753 nan 8.370 nan 0.000 0.511 462 S N 3.679 118.914 115.700 -0.774 0.000 2.378 462 S HA -0.285 4.185 4.470 0.001 0.000 0.221 462 S C 1.934 176.330 174.600 -0.339 0.000 1.037 462 S CA 0.950 58.772 58.200 -0.630 0.000 1.069 462 S CB -0.755 62.324 63.200 -0.203 0.000 1.006 462 S HN 0.708 nan 8.310 nan 0.000 0.423 463 H N 2.468 121.382 119.070 -0.261 0.000 2.266 463 H HA -0.164 4.392 4.556 0.001 0.000 0.286 463 H C 1.990 177.218 175.328 -0.167 0.000 1.102 463 H CA 2.489 58.437 56.048 -0.167 0.000 1.182 463 H CB -0.853 28.831 29.762 -0.130 0.000 1.345 463 H HN 0.501 nan 8.280 nan 0.000 0.485 464 S N 0.524 116.235 115.700 0.018 0.000 2.489 464 S HA -0.097 4.374 4.470 0.001 0.000 0.228 464 S C 0.632 175.162 174.600 -0.116 0.000 0.995 464 S CA 0.593 58.780 58.200 -0.021 0.000 0.934 464 S CB -0.285 62.926 63.200 0.018 0.000 0.771 464 S HN 0.676 nan 8.310 nan 0.000 0.522 465 N N 2.134 120.667 118.700 -0.278 0.000 2.608 465 N HA -0.164 4.576 4.740 0.001 0.000 0.273 465 N C -1.528 173.968 175.510 -0.023 0.000 1.133 465 N CA 1.113 54.024 53.050 -0.231 0.000 0.726 465 N CB -1.407 37.084 38.487 0.006 0.000 0.890 465 N HN 0.651 nan 8.380 nan 0.000 0.548 466 D N -0.751 119.557 120.400 -0.153 0.000 2.725 466 D HA 0.453 5.094 4.640 0.001 0.000 0.292 466 D C -1.234 175.065 176.300 -0.003 0.000 1.288 466 D CA -0.638 53.418 54.000 0.093 0.000 0.784 466 D CB -0.273 40.578 40.800 0.086 0.000 1.308 466 D HN 0.158 nan 8.370 nan 0.000 0.429 467 W N 0.361 121.731 121.300 0.117 0.000 2.433 467 W HA 0.679 5.339 4.660 0.001 0.000 0.315 467 W C 0.574 177.115 176.519 0.037 0.000 1.087 467 W CA -0.403 56.992 57.345 0.084 0.000 1.205 467 W CB 1.435 30.916 29.460 0.035 0.000 1.288 467 W HN 0.571 nan 8.180 nan 0.000 0.504 468 R N 1.929 122.529 120.500 0.167 0.000 2.734 468 R HA 0.959 5.299 4.340 0.001 0.000 0.271 468 R C -0.771 175.584 176.300 0.091 0.000 1.021 468 R CA -1.325 54.840 56.100 0.109 0.000 0.893 468 R CB 1.599 31.935 30.300 0.060 0.000 1.244 468 R HN 0.609 nan 8.270 nan 0.000 0.464 469 G N 0.542 109.380 108.800 0.064 0.000 2.746 469 G HA2 0.316 4.276 3.960 0.001 0.000 0.297 469 G HA3 0.316 4.276 3.960 0.001 0.000 0.297 469 G C -1.658 173.271 174.900 0.049 0.000 1.426 469 G CA -1.092 44.047 45.100 0.066 0.000 0.989 469 G HN 0.558 nan 8.290 nan 0.000 0.520 470 N N 0.339 119.074 118.700 0.058 0.000 2.415 470 N HA 0.414 5.154 4.740 0.001 0.000 0.250 470 N C -0.190 175.331 175.510 0.020 0.000 1.127 470 N CA -0.046 53.026 53.050 0.036 0.000 0.945 470 N CB 1.575 40.079 38.487 0.030 0.000 1.196 470 N HN 0.256 nan 8.380 nan 0.000 0.499 471 V N 2.490 122.403 119.914 -0.001 0.000 2.581 471 V HA 0.369 4.490 4.120 0.001 0.000 0.303 471 V C 0.136 176.202 176.094 -0.047 0.000 1.041 471 V CA -0.937 61.342 62.300 -0.035 0.000 0.907 471 V CB 1.956 33.734 31.823 -0.076 0.000 0.994 471 V HN 0.203 nan 8.190 nan 0.000 0.442 472 V N 6.051 125.925 119.914 -0.067 0.000 2.432 472 V HA 0.482 4.602 4.120 0.001 0.000 0.275 472 V C -0.058 175.947 176.094 -0.149 0.000 1.043 472 V CA -0.162 62.083 62.300 -0.092 0.000 0.925 472 V CB 1.079 32.857 31.823 -0.076 0.000 0.985 472 V HN 0.610 nan 8.190 nan 0.000 0.466 473 L N 6.308 127.426 121.223 -0.174 0.000 2.309 473 L HA 0.613 4.954 4.340 0.001 0.000 0.261 473 L C -2.482 174.228 176.870 -0.267 0.000 1.021 473 L CA -2.167 52.535 54.840 -0.230 0.000 0.823 473 L CB 2.864 44.803 42.059 -0.201 0.000 1.366 473 L HN 0.379 nan 8.230 nan 0.000 0.423 474 P HA 0.134 nan 4.420 nan 0.000 0.276 474 P C -0.655 176.493 177.300 -0.254 0.000 1.264 474 P CA -0.172 62.741 63.100 -0.312 0.000 0.769 474 P CB 1.047 32.526 31.700 -0.369 0.000 0.840 475 A N 4.298 126.987 122.820 -0.218 0.000 2.531 475 A HA 0.030 4.351 4.320 0.001 0.000 0.236 475 A C 0.830 178.300 177.584 -0.189 0.000 1.062 475 A CA 0.023 51.935 52.037 -0.209 0.000 0.760 475 A CB -0.765 18.139 19.000 -0.161 0.000 0.995 475 A HN 0.696 nan 8.150 nan 0.000 0.501 476 E N -0.355 119.727 120.200 -0.197 0.000 2.476 476 E HA -0.192 4.159 4.350 0.001 0.000 0.251 476 E C -0.438 176.080 176.600 -0.137 0.000 1.130 476 E CA 0.683 56.992 56.400 -0.152 0.000 0.736 476 E CB -1.294 28.338 29.700 -0.112 0.000 1.298 476 E HN 0.615 nan 8.360 nan 0.000 0.400 477 R N 0.495 120.903 120.500 -0.153 0.000 2.750 477 R HA 0.388 4.728 4.340 0.001 0.000 0.281 477 R C -0.262 175.988 176.300 -0.084 0.000 0.972 477 R CA -1.157 54.872 56.100 -0.119 0.000 0.912 477 R CB 1.033 31.243 30.300 -0.150 0.000 1.187 477 R HN -0.059 nan 8.270 nan 0.000 0.464 478 N N 2.393 121.071 118.700 -0.038 0.000 2.488 478 N HA 0.304 5.044 4.740 0.001 0.000 0.274 478 N C 0.021 175.552 175.510 0.036 0.000 1.111 478 N CA -0.111 52.951 53.050 0.019 0.000 0.974 478 N CB 0.753 39.261 38.487 0.034 0.000 1.089 478 N HN 0.468 nan 8.380 nan 0.000 0.465 479 I N -1.770 118.865 120.570 0.110 0.000 2.646 479 I HA 0.587 4.757 4.170 0.001 0.000 0.299 479 I C -0.516 175.721 176.117 0.200 0.000 1.036 479 I CA -0.864 60.507 61.300 0.119 0.000 1.074 479 I CB 2.307 40.371 38.000 0.108 0.000 1.258 479 I HN 0.197 nan 8.210 nan 0.000 0.430 480 E N 5.316 125.608 120.200 0.155 0.000 2.199 480 E HA 0.595 4.945 4.350 0.001 0.000 0.269 480 E C -1.447 175.256 176.600 0.171 0.000 0.899 480 E CA -0.493 56.013 56.400 0.177 0.000 0.772 480 E CB 2.530 32.375 29.700 0.242 0.000 1.155 480 E HN 0.642 nan 8.360 nan 0.000 0.408 481 F N -0.902 119.067 119.950 0.031 0.000 2.686 481 F HA 0.698 5.225 4.527 0.000 0.000 0.311 481 F C -1.165 174.747 175.800 0.187 0.000 1.128 481 F CA -1.172 56.824 58.000 -0.007 0.000 0.946 481 F CB 1.858 40.815 39.000 -0.071 0.000 1.336 481 F HN 0.134 nan 8.300 nan 0.000 0.457 482 K N 1.391 122.076 120.400 0.475 0.000 2.525 482 K HA 0.760 5.080 4.320 0.001 0.000 0.254 482 K C -1.074 175.851 176.600 0.541 0.000 0.934 482 K CA -0.859 55.686 56.287 0.429 0.000 0.802 482 K CB 2.587 35.428 32.500 0.568 0.000 1.295 482 K HN 1.072 nan 8.250 nan 0.000 0.433 483 A N 2.379 125.425 122.820 0.377 0.000 2.272 483 A HA 0.791 5.112 4.320 0.001 0.000 0.275 483 A C -0.718 177.085 177.584 0.366 0.000 1.096 483 A CA -0.163 52.078 52.037 0.341 0.000 0.822 483 A CB 0.025 19.238 19.000 0.355 0.000 1.088 483 A HN 0.622 nan 8.150 nan 0.000 0.495 484 F N -2.083 117.935 119.950 0.114 0.000 2.719 484 F HA 0.698 5.225 4.527 0.001 0.000 0.309 484 F C -1.373 174.411 175.800 -0.026 0.000 1.138 484 F CA -1.299 56.653 58.000 -0.080 0.000 0.943 484 F CB 0.676 39.099 39.000 -0.962 0.000 1.304 484 F HN 0.403 nan 8.300 nan 0.000 0.445 485 I N 2.310 122.919 120.570 0.066 0.000 2.437 485 I HA 0.443 4.613 4.170 0.001 0.000 0.298 485 I C -0.458 175.631 176.117 -0.046 0.000 0.984 485 I CA -0.805 60.399 61.300 -0.160 0.000 1.214 485 I CB 1.917 39.778 38.000 -0.231 0.000 1.365 485 I HN 0.566 nan 8.210 nan 0.000 0.469 486 K N 4.306 124.656 120.400 -0.083 0.000 2.358 486 K HA 0.366 4.687 4.320 0.001 0.000 0.260 486 K C -0.352 176.228 176.600 -0.032 0.000 0.956 486 K CA -0.456 55.818 56.287 -0.022 0.000 0.834 486 K CB 1.678 34.151 32.500 -0.046 0.000 1.102 486 K HN 0.799 nan 8.250 nan 0.000 0.431 487 S N 2.355 118.040 115.700 -0.025 0.000 2.584 487 S HA 0.056 4.527 4.470 0.001 0.000 0.270 487 S C 1.262 175.859 174.600 -0.006 0.000 1.346 487 S CA -0.546 57.640 58.200 -0.023 0.000 1.018 487 S CB 1.345 64.535 63.200 -0.016 0.000 0.899 487 S HN 0.627 nan 8.310 nan 0.000 0.542 488 K N 1.339 121.739 120.400 -0.001 0.000 2.207 488 K HA -0.247 4.073 4.320 0.001 0.000 0.208 488 K C 1.112 177.721 176.600 0.015 0.000 1.046 488 K CA 2.342 58.638 56.287 0.013 0.000 0.929 488 K CB -0.927 31.579 32.500 0.011 0.000 0.720 488 K HN 0.975 nan 8.250 nan 0.000 0.463 489 D N -2.251 118.154 120.400 0.008 0.000 2.349 489 D HA 0.043 4.683 4.640 0.001 0.000 0.224 489 D C 1.049 177.351 176.300 0.004 0.000 1.029 489 D CA 0.886 54.890 54.000 0.007 0.000 0.879 489 D CB 0.112 40.914 40.800 0.004 0.000 0.906 489 D HN 0.315 nan 8.370 nan 0.000 0.528 490 G N -0.286 108.515 108.800 0.000 0.000 2.194 490 G HA2 -0.251 3.709 3.960 0.001 0.000 0.236 490 G HA3 -0.251 3.709 3.960 0.001 0.000 0.236 490 G C 0.458 175.343 174.900 -0.024 0.000 0.987 490 G CA 0.322 45.414 45.100 -0.012 0.000 0.635 490 G HN 0.848 nan 8.290 nan 0.000 0.520 491 T N -1.063 113.481 114.554 -0.016 0.000 2.875 491 T HA 0.655 5.005 4.350 0.001 0.000 0.284 491 T C 0.335 175.026 174.700 -0.015 0.000 0.995 491 T CA -0.277 61.813 62.100 -0.017 0.000 1.060 491 T CB 2.313 71.176 68.868 -0.007 0.000 0.967 491 T HN 0.783 nan 8.240 nan 0.000 0.476 492 V N 4.517 124.414 119.914 -0.030 0.000 2.485 492 V HA 0.158 4.278 4.120 0.001 0.000 0.287 492 V C 1.592 177.675 176.094 -0.019 0.000 1.022 492 V CA 0.053 62.324 62.300 -0.049 0.000 1.067 492 V CB 0.584 32.311 31.823 -0.160 0.000 0.967 492 V HN 1.052 nan 8.190 nan 0.000 0.479 493 K N 2.932 123.329 120.400 -0.005 0.000 2.242 493 K HA 0.132 4.452 4.320 0.001 0.000 0.200 493 K C 0.390 177.028 176.600 0.064 0.000 1.050 493 K CA 0.938 57.237 56.287 0.019 0.000 0.981 493 K CB 0.450 32.948 32.500 -0.003 0.000 0.795 493 K HN 0.882 nan 8.250 nan 0.000 0.477 494 S N -1.976 113.768 115.700 0.073 0.000 2.686 494 S HA 0.285 4.755 4.470 0.001 0.000 0.273 494 S C -1.739 172.946 174.600 0.142 0.000 1.060 494 S CA -1.207 57.107 58.200 0.190 0.000 0.845 494 S CB 0.135 63.531 63.200 0.327 0.000 1.086 494 S HN 0.228 nan 8.310 nan 0.000 0.461 495 W N 1.119 122.512 121.300 0.155 0.000 2.655 495 W HA 0.667 5.328 4.660 0.001 0.000 0.358 495 W C 0.377 176.533 176.519 -0.606 0.000 1.100 495 W CA -0.551 56.765 57.345 -0.049 0.000 1.195 495 W CB 1.189 30.597 29.460 -0.087 0.000 1.403 495 W HN 0.948 nan 8.180 nan 0.000 0.589 496 Q N 0.549 120.029 119.800 -0.533 0.000 2.392 496 Q HA 0.061 4.401 4.340 0.001 0.000 0.262 496 Q C 0.874 176.574 176.000 -0.499 0.000 1.003 496 Q CA 0.606 55.794 55.803 -1.024 0.000 0.888 496 Q CB 1.238 29.668 28.738 -0.514 0.000 1.260 496 Q HN 0.628 nan 8.270 nan 0.000 0.435 497 T N 3.660 117.908 114.554 -0.510 0.000 2.622 497 T HA -0.049 4.301 4.350 0.001 0.000 0.266 497 T C 0.586 175.179 174.700 -0.180 0.000 1.047 497 T CA 1.160 63.105 62.100 -0.258 0.000 1.159 497 T CB -0.044 68.713 68.868 -0.184 0.000 0.863 497 T HN 0.524 nan 8.240 nan 0.000 0.422 498 I N 0.862 121.334 120.570 -0.164 0.000 2.460 498 I HA 0.278 4.448 4.170 0.001 0.000 0.298 498 I C 0.265 176.302 176.117 -0.132 0.000 0.989 498 I CA -0.814 60.409 61.300 -0.128 0.000 1.173 498 I CB 1.486 39.427 38.000 -0.098 0.000 1.338 498 I HN 0.074 nan 8.210 nan 0.000 0.456 499 Q N 4.665 124.394 119.800 -0.118 0.000 2.274 499 Q HA 0.044 4.384 4.340 0.001 0.000 0.280 499 Q C -0.728 175.170 176.000 -0.170 0.000 1.047 499 Q CA -0.190 55.552 55.803 -0.103 0.000 0.907 499 Q CB 0.718 29.423 28.738 -0.055 0.000 1.171 499 Q HN 0.416 nan 8.270 nan 0.000 0.381 500 Q N 1.184 120.771 119.800 -0.355 0.000 2.212 500 Q HA 0.453 4.793 4.340 0.001 0.000 0.238 500 Q C -0.537 175.193 176.000 -0.451 0.000 0.955 500 Q CA -0.269 55.209 55.803 -0.541 0.000 0.906 500 Q CB 1.918 29.986 28.738 -1.116 0.000 1.215 500 Q HN 0.781 nan 8.270 nan 0.000 0.478 501 S N -0.850 114.736 115.700 -0.190 0.000 2.607 501 S HA 0.674 5.145 4.470 0.001 0.000 0.273 501 S C -1.762 173.028 174.600 0.317 0.000 1.148 501 S CA -0.854 57.389 58.200 0.071 0.000 0.833 501 S CB 1.681 64.935 63.200 0.091 0.000 1.130 501 S HN 0.591 nan 8.310 nan 0.000 0.470 502 W N 2.022 123.433 121.300 0.186 0.000 2.664 502 W HA 0.488 5.148 4.660 0.001 0.000 0.314 502 W C -1.649 174.933 176.519 0.106 0.000 1.010 502 W CA -1.264 56.204 57.345 0.205 0.000 1.306 502 W CB 0.705 30.300 29.460 0.225 0.000 1.254 502 W HN 0.911 nan 8.180 nan 0.000 0.404 503 N N 6.419 125.341 118.700 0.371 0.000 2.623 503 N HA 0.355 5.096 4.740 0.001 0.000 0.256 503 N C -2.374 173.190 175.510 0.091 0.000 1.045 503 N CA -1.014 52.133 53.050 0.162 0.000 0.863 503 N CB 2.255 40.822 38.487 0.133 0.000 1.182 503 N HN 0.029 nan 8.380 nan 0.000 0.523 504 P HA 0.321 nan 4.420 nan 0.000 0.304 504 P C -0.237 176.896 177.300 -0.279 0.000 1.310 504 P CA -0.550 62.506 63.100 -0.073 0.000 0.796 504 P CB 1.003 32.647 31.700 -0.094 0.000 1.297 505 V N 1.978 121.660 119.914 -0.388 0.000 2.655 505 V HA 0.129 4.250 4.120 0.001 0.000 0.300 505 V C -1.922 173.794 176.094 -0.629 0.000 1.044 505 V CA -0.748 61.052 62.300 -0.834 0.000 1.095 505 V CB -0.023 31.438 31.823 -0.604 0.000 0.952 505 V HN 0.609 nan 8.190 nan 0.000 0.485 506 P HA 0.154 nan 4.420 nan 0.000 0.278 506 P C 0.523 177.653 177.300 -0.284 0.000 1.238 506 P CA -0.520 62.352 63.100 -0.381 0.000 0.794 506 P CB 0.802 32.339 31.700 -0.272 0.000 0.955 507 L N 1.014 122.131 121.223 -0.176 0.000 2.131 507 L HA -0.023 4.317 4.340 0.001 0.000 0.210 507 L C 0.831 177.643 176.870 -0.096 0.000 1.092 507 L CA 1.910 56.676 54.840 -0.123 0.000 0.759 507 L CB -1.280 40.729 42.059 -0.084 0.000 0.903 507 L HN 0.386 nan 8.230 nan 0.000 0.435 508 K N -1.071 119.280 120.400 -0.081 0.000 2.138 508 K HA 0.248 4.569 4.320 0.001 0.000 0.263 508 K C -0.156 176.421 176.600 -0.038 0.000 0.965 508 K CA -0.330 55.930 56.287 -0.046 0.000 0.868 508 K CB 1.221 33.709 32.500 -0.020 0.000 1.083 508 K HN -0.131 nan 8.250 nan 0.000 0.443 509 T N 2.122 116.665 114.554 -0.018 0.000 2.908 509 T HA 0.088 4.438 4.350 0.001 0.000 0.301 509 T C 0.028 174.762 174.700 0.057 0.000 1.019 509 T CA 0.570 62.678 62.100 0.012 0.000 1.152 509 T CB 0.374 69.248 68.868 0.010 0.000 0.966 509 T HN 0.681 nan 8.240 nan 0.000 0.540 510 T N 1.070 115.699 114.554 0.124 0.000 2.661 510 T HA 0.573 4.923 4.350 0.001 0.000 0.305 510 T C -1.484 173.371 174.700 0.258 0.000 1.535 510 T CA -0.482 61.725 62.100 0.178 0.000 1.000 510 T CB 0.828 69.815 68.868 0.198 0.000 1.811 510 T HN 0.658 nan 8.240 nan 0.000 0.471 511 S N 0.913 116.748 115.700 0.225 0.000 2.566 511 S HA 0.658 5.128 4.470 0.001 0.000 0.298 511 S C -1.275 173.334 174.600 0.015 0.000 1.083 511 S CA -0.744 57.545 58.200 0.149 0.000 0.978 511 S CB 1.504 64.745 63.200 0.069 0.000 1.073 511 S HN 0.835 nan 8.310 nan 0.000 0.491 512 H N 1.493 120.405 119.070 -0.263 0.000 2.638 512 H HA 0.490 5.047 4.556 0.000 0.000 0.317 512 H C -1.137 174.065 175.328 -0.210 0.000 1.006 512 H CA -0.132 55.579 56.048 -0.561 0.000 1.222 512 H CB 1.074 30.148 29.762 -1.147 0.000 1.419 512 H HN 0.745 nan 8.280 nan 0.000 0.489 513 T N 3.808 118.216 114.554 -0.243 0.000 2.859 513 T HA 0.504 4.854 4.350 0.001 0.000 0.281 513 T C -0.313 174.366 174.700 -0.035 0.000 1.005 513 T CA -0.696 61.378 62.100 -0.044 0.000 1.025 513 T CB 1.290 70.130 68.868 -0.048 0.000 0.977 513 T HN 0.693 nan 8.240 nan 0.000 0.458 514 S N 1.133 116.892 115.700 0.099 0.000 2.615 514 S HA 0.727 5.198 4.470 0.001 0.000 0.269 514 S C -1.066 173.607 174.600 0.122 0.000 1.161 514 S CA -0.948 57.306 58.200 0.089 0.000 0.817 514 S CB 1.624 64.904 63.200 0.133 0.000 1.131 514 S HN 0.468 nan 8.310 nan 0.000 0.467 515 S N 1.233 116.994 115.700 0.101 0.000 2.509 515 S HA 0.472 4.942 4.470 0.001 0.000 0.297 515 S C -0.192 174.524 174.600 0.193 0.000 1.118 515 S CA -0.736 57.554 58.200 0.151 0.000 1.074 515 S CB 0.546 63.813 63.200 0.112 0.000 1.038 515 S HN 0.626 nan 8.310 nan 0.000 0.498 516 W N 0.000 121.334 121.300 0.057 0.000 2.388 516 W HA 0.000 4.660 4.660 0.001 0.000 0.303 516 W CA 0.000 57.375 57.345 0.051 0.000 1.226 516 W CB 0.000 29.484 29.460 0.040 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535