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 2nt1_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ 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 0.000 177.546 177.584 -0.063 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 1 A CB 0.000 19.010 19.000 0.017 0.000 0.831 2 R N 1.100 121.533 120.500 -0.111 0.000 2.548 2 R HA 0.568 4.921 4.340 0.023 0.000 0.280 2 R C -3.014 173.269 176.300 -0.028 0.000 1.061 2 R CA -1.642 54.402 56.100 -0.094 0.000 0.915 2 R CB 2.735 32.831 30.300 -0.340 0.000 1.210 2 R HN 0.614 nan 8.270 nan 0.000 0.442 3 P HA 0.004 nan 4.420 nan 0.000 0.272 3 P C 0.148 177.519 177.300 0.118 0.000 1.240 3 P CA -0.478 62.659 63.100 0.062 0.000 0.791 3 P CB 0.666 32.400 31.700 0.057 0.000 0.978 4 c N 2.764 121.392 118.600 0.046 0.000 2.596 4 c HA 0.159 4.742 4.570 0.023 0.000 0.414 4 c C 0.601 174.715 174.090 0.039 0.000 1.396 4 c CA -0.195 56.164 56.329 0.050 0.000 1.698 4 c CB -2.220 40.275 42.510 -0.025 0.000 2.572 4 c HN 0.334 nan 8.230 nan 0.000 0.604 5 I N 9.316 129.906 120.570 0.032 0.000 2.297 5 I HA 0.325 4.508 4.170 0.023 0.000 0.291 5 I C -1.795 174.309 176.117 -0.021 0.000 1.033 5 I CA -1.373 59.887 61.300 -0.066 0.000 1.253 5 I CB 1.077 38.952 38.000 -0.208 0.000 1.396 5 I HN 0.586 nan 8.210 nan 0.000 0.476 6 P HA 0.322 nan 4.420 nan 0.000 0.284 6 P C -1.085 176.204 177.300 -0.019 0.000 1.253 6 P CA -0.828 62.269 63.100 -0.006 0.000 0.800 6 P CB 1.021 32.708 31.700 -0.023 0.000 0.961 7 K N 1.097 121.500 120.400 0.005 0.000 2.468 7 K HA 0.489 4.823 4.320 0.023 0.000 0.252 7 K C -0.830 175.719 176.600 -0.084 0.000 0.932 7 K CA -0.606 55.629 56.287 -0.088 0.000 0.794 7 K CB 1.627 34.056 32.500 -0.118 0.000 1.241 7 K HN 0.336 nan 8.250 nan 0.000 0.428 8 S N 2.850 118.437 115.700 -0.188 0.000 2.525 8 S HA 0.407 4.891 4.470 0.023 0.000 0.278 8 S C -0.327 174.038 174.600 -0.391 0.000 1.234 8 S CA -0.477 57.633 58.200 -0.151 0.000 1.058 8 S CB 0.252 63.370 63.200 -0.136 0.000 0.983 8 S HN 0.531 nan 8.310 nan 0.000 0.495 9 F N 2.631 122.500 119.950 -0.135 0.000 2.668 9 F HA 0.377 4.917 4.527 0.022 0.000 0.301 9 F C 1.690 177.239 175.800 -0.418 0.000 1.106 9 F CA 0.114 57.992 58.000 -0.203 0.000 1.289 9 F CB 0.499 39.432 39.000 -0.111 0.000 1.006 9 F HN 0.898 nan 8.300 nan 0.000 0.535 10 G N -0.704 107.936 108.800 -0.267 0.000 2.157 10 G HA2 -0.314 3.660 3.960 0.023 0.000 0.248 10 G HA3 -0.314 3.660 3.960 0.023 0.000 0.248 10 G C 0.070 174.710 174.900 -0.435 0.000 0.979 10 G CA -0.157 44.723 45.100 -0.366 0.000 0.650 10 G HN 0.397 nan 8.290 nan 0.000 0.529 11 Y N 0.338 120.673 120.300 0.058 0.000 2.612 11 Y HA 0.468 5.031 4.550 0.021 0.000 0.334 11 Y C 2.223 178.148 175.900 0.042 0.000 1.227 11 Y CA -0.091 58.040 58.100 0.052 0.000 1.356 11 Y CB 0.540 39.037 38.460 0.062 0.000 1.534 11 Y HN 0.202 nan 8.280 nan 0.000 0.576 12 S N -1.160 114.684 115.700 0.241 0.000 2.442 12 S HA -0.061 4.423 4.470 0.023 0.000 0.236 12 S C 0.680 175.331 174.600 0.085 0.000 1.007 12 S CA 1.065 59.333 58.200 0.114 0.000 0.965 12 S CB -0.192 63.062 63.200 0.090 0.000 0.773 12 S HN 0.475 nan 8.310 nan 0.000 0.504 13 S N -0.765 115.033 115.700 0.163 0.000 2.819 13 S HA 0.684 5.168 4.470 0.023 0.000 0.299 13 S C -1.000 173.694 174.600 0.157 0.000 1.192 13 S CA -0.261 58.020 58.200 0.136 0.000 0.847 13 S CB 1.147 64.488 63.200 0.235 0.000 1.224 13 S HN 0.793 nan 8.310 nan 0.000 0.537 14 V N 0.760 120.758 119.914 0.141 0.000 2.881 14 V HA 0.953 5.086 4.120 0.023 0.000 0.316 14 V C 0.095 176.301 176.094 0.186 0.000 1.070 14 V CA -0.546 61.834 62.300 0.134 0.000 0.976 14 V CB 1.014 32.873 31.823 0.059 0.000 1.038 14 V HN 0.919 nan 8.190 nan 0.000 0.446 15 V N -0.338 119.694 119.914 0.197 0.000 2.837 15 V HA 0.663 4.797 4.120 0.023 0.000 0.310 15 V C 0.113 176.324 176.094 0.194 0.000 1.059 15 V CA -0.517 61.915 62.300 0.220 0.000 1.004 15 V CB 1.180 33.130 31.823 0.211 0.000 1.045 15 V HN 1.086 nan 8.190 nan 0.000 0.465 16 c N 2.938 121.666 118.600 0.212 0.000 2.273 16 c HA 0.633 5.217 4.570 0.023 0.000 0.328 16 c C 0.346 174.509 174.090 0.121 0.000 1.275 16 c CA -0.648 55.769 56.329 0.147 0.000 1.704 16 c CB 0.038 42.647 42.510 0.164 0.000 2.326 16 c HN 0.751 nan 8.230 nan 0.000 0.517 17 V N 3.452 123.421 119.914 0.093 0.000 2.461 17 V HA 0.329 4.463 4.120 0.023 0.000 0.275 17 V C 0.303 176.301 176.094 -0.160 0.000 1.047 17 V CA 0.004 62.322 62.300 0.030 0.000 0.955 17 V CB 0.466 32.344 31.823 0.091 0.000 0.988 17 V HN 1.074 nan 8.190 nan 0.000 0.471 18 c N 5.197 123.507 118.600 -0.484 0.000 2.667 18 c HA 0.876 5.460 4.570 0.023 0.000 0.323 18 c C 0.112 173.788 174.090 -0.691 0.000 1.214 18 c CA -0.682 55.237 56.329 -0.684 0.000 1.721 18 c CB 1.684 43.372 42.510 -1.371 0.000 2.275 18 c HN 1.085 nan 8.230 nan 0.000 0.491 19 N N -0.285 118.183 118.700 -0.387 0.000 3.449 19 N HA 0.447 5.201 4.740 0.023 0.000 0.312 19 N C 0.143 175.634 175.510 -0.032 0.000 1.582 19 N CA -0.080 52.866 53.050 -0.173 0.000 0.850 19 N CB 0.293 38.716 38.487 -0.107 0.000 1.822 19 N HN 0.533 nan 8.380 nan 0.000 0.577 20 A N -0.947 121.881 122.820 0.014 0.000 2.019 20 A HA -0.039 4.295 4.320 0.023 0.000 0.219 20 A C 1.562 179.168 177.584 0.037 0.000 1.164 20 A CA 2.737 54.799 52.037 0.042 0.000 0.644 20 A CB -1.278 17.741 19.000 0.033 0.000 0.805 20 A HN 0.929 nan 8.150 nan 0.000 0.449 21 T N -6.345 108.231 114.554 0.038 0.000 2.985 21 T HA 0.345 4.709 4.350 0.023 0.000 0.254 21 T C -0.002 174.745 174.700 0.078 0.000 1.021 21 T CA -0.060 62.070 62.100 0.049 0.000 0.957 21 T CB -0.110 68.789 68.868 0.052 0.000 1.047 21 T HN 0.281 nan 8.240 nan 0.000 0.511 22 Y N 0.109 120.367 120.300 -0.069 0.000 2.457 22 Y HA 0.594 5.157 4.550 0.021 0.000 0.343 22 Y C -1.467 174.349 175.900 -0.139 0.000 0.994 22 Y CA -1.411 56.636 58.100 -0.088 0.000 1.031 22 Y CB 2.039 40.445 38.460 -0.090 0.000 1.246 22 Y HN 0.288 nan 8.280 nan 0.000 0.449 23 c N 6.697 125.039 118.600 -0.430 0.000 2.891 23 c HA 0.313 4.897 4.570 0.023 0.000 0.342 23 c C -1.406 172.453 174.090 -0.384 0.000 1.126 23 c CA -0.936 55.235 56.329 -0.263 0.000 1.322 23 c CB 0.553 42.980 42.510 -0.138 0.000 1.763 23 c HN 0.930 nan 8.230 nan 0.000 0.491 24 D N 3.504 123.806 120.400 -0.165 0.000 2.455 24 D HA 0.342 4.996 4.640 0.023 0.000 0.241 24 D C -0.121 176.041 176.300 -0.230 0.000 1.138 24 D CA 0.425 54.329 54.000 -0.161 0.000 0.877 24 D CB 0.946 41.727 40.800 -0.031 0.000 1.187 24 D HN 0.742 nan 8.370 nan 0.000 0.451 25 S N 0.442 115.969 115.700 -0.288 0.000 2.607 25 S HA 0.637 5.121 4.470 0.023 0.000 0.273 25 S C -0.852 173.536 174.600 -0.353 0.000 1.148 25 S CA -1.079 56.961 58.200 -0.267 0.000 0.833 25 S CB 0.944 64.065 63.200 -0.132 0.000 1.130 25 S HN 0.375 nan 8.310 nan 0.000 0.470 26 F N 1.231 121.204 119.950 0.039 0.000 2.397 26 F HA 0.420 4.959 4.527 0.020 0.000 0.331 26 F C 0.990 176.812 175.800 0.037 0.000 1.090 26 F CA -0.587 57.447 58.000 0.058 0.000 1.065 26 F CB 0.721 39.755 39.000 0.058 0.000 1.184 26 F HN 0.518 nan 8.300 nan 0.000 0.499 27 D N 2.417 122.967 120.400 0.250 0.000 2.378 27 D HA 0.097 4.751 4.640 0.023 0.000 0.238 27 D C -2.221 174.168 176.300 0.149 0.000 1.180 27 D CA -0.766 53.327 54.000 0.154 0.000 0.895 27 D CB 0.391 41.267 40.800 0.128 0.000 1.192 27 D HN 0.122 nan 8.370 nan 0.000 0.438 28 P HA 0.104 nan 4.420 nan 0.000 0.265 28 P C -2.273 175.044 177.300 0.027 0.000 1.193 28 P CA -0.775 62.357 63.100 0.053 0.000 0.765 28 P CB -0.272 31.452 31.700 0.040 0.000 0.823 29 P HA 0.076 nan 4.420 nan 0.000 0.266 29 P C -0.684 176.515 177.300 -0.168 0.000 1.195 29 P CA 0.390 63.445 63.100 -0.075 0.000 0.768 29 P CB 0.508 32.123 31.700 -0.142 0.000 0.838 30 T N 1.976 116.429 114.554 -0.169 0.000 2.906 30 T HA 0.524 4.887 4.350 0.023 0.000 0.295 30 T C -0.252 174.286 174.700 -0.270 0.000 1.075 30 T CA -0.273 61.693 62.100 -0.223 0.000 1.005 30 T CB 0.719 69.576 68.868 -0.018 0.000 1.136 30 T HN 0.102 nan 8.240 nan 0.000 0.498 31 F N 2.661 122.622 119.950 0.018 0.000 2.384 31 F HA 0.428 4.969 4.527 0.022 0.000 0.338 31 F C -1.540 174.166 175.800 -0.157 0.000 1.103 31 F CA -2.107 55.842 58.000 -0.084 0.000 1.157 31 F CB 0.099 38.982 39.000 -0.195 0.000 1.167 31 F HN 0.242 nan 8.300 nan 0.000 0.529 32 P HA 0.208 nan 4.420 nan 0.000 0.275 32 P C -0.772 176.490 177.300 -0.064 0.000 1.227 32 P CA -0.391 62.704 63.100 -0.009 0.000 0.781 32 P CB 0.914 32.648 31.700 0.057 0.000 0.906 33 A N 3.761 126.562 122.820 -0.031 0.000 2.531 33 A HA 0.083 4.417 4.320 0.023 0.000 0.236 33 A C 0.382 177.976 177.584 0.017 0.000 1.062 33 A CA -0.357 51.669 52.037 -0.019 0.000 0.760 33 A CB -0.415 18.582 19.000 -0.005 0.000 0.995 33 A HN 0.644 nan 8.150 nan 0.000 0.501 34 L N 2.734 123.983 121.223 0.042 0.000 2.640 34 L HA 0.341 4.694 4.340 0.023 0.000 0.280 34 L C 1.367 178.283 176.870 0.076 0.000 1.229 34 L CA 2.173 57.071 54.840 0.096 0.000 0.919 34 L CB -0.277 41.842 42.059 0.100 0.000 1.168 34 L HN 1.609 nan 8.230 nan 0.000 0.496 35 G N 1.997 110.853 108.800 0.093 0.000 2.213 35 G HA2 -0.221 3.753 3.960 0.023 0.000 0.226 35 G HA3 -0.221 3.753 3.960 0.023 0.000 0.226 35 G C 0.309 175.239 174.900 0.050 0.000 0.992 35 G CA 0.354 45.491 45.100 0.061 0.000 0.632 35 G HN 1.134 nan 8.290 nan 0.000 0.511 36 T N -0.856 113.733 114.554 0.058 0.000 2.924 36 T HA 0.786 5.150 4.350 0.023 0.000 0.291 36 T C -0.295 174.479 174.700 0.123 0.000 1.045 36 T CA -0.370 61.734 62.100 0.007 0.000 1.015 36 T CB 2.344 71.169 68.868 -0.071 0.000 1.103 36 T HN 1.439 nan 8.240 nan 0.000 0.496 37 F N -0.263 119.716 119.950 0.048 0.000 2.507 37 F HA 0.856 5.389 4.527 0.010 0.000 0.327 37 F C -0.313 175.542 175.800 0.092 0.000 1.068 37 F CA -1.135 56.943 58.000 0.131 0.000 0.965 37 F CB 1.406 40.471 39.000 0.107 0.000 1.192 37 F HN 0.551 nan 8.300 nan 0.000 0.476 38 S N 2.201 118.080 115.700 0.297 0.000 2.541 38 S HA 0.547 5.031 4.470 0.023 0.000 0.283 38 S C -0.725 173.981 174.600 0.176 0.000 1.196 38 S CA -0.832 57.414 58.200 0.077 0.000 1.062 38 S CB 1.116 64.334 63.200 0.030 0.000 1.009 38 S HN 0.737 nan 8.310 nan 0.000 0.502 39 R N 2.189 122.644 120.500 -0.075 0.000 2.561 39 R HA 0.398 4.752 4.340 0.023 0.000 0.297 39 R C -1.984 174.053 176.300 -0.438 0.000 0.969 39 R CA -0.460 55.518 56.100 -0.204 0.000 0.879 39 R CB 0.877 31.122 30.300 -0.091 0.000 1.178 39 R HN 0.638 nan 8.270 nan 0.000 0.445 40 Y N 1.738 121.841 120.300 -0.329 0.000 2.335 40 Y HA 0.288 4.853 4.550 0.025 0.000 0.338 40 Y C 0.020 175.892 175.900 -0.047 0.000 0.977 40 Y CA -0.491 57.520 58.100 -0.150 0.000 1.114 40 Y CB 1.882 40.241 38.460 -0.167 0.000 1.182 40 Y HN 0.546 nan 8.280 nan 0.000 0.463 41 E N 1.925 122.206 120.200 0.135 0.000 2.210 41 E HA 0.656 5.020 4.350 0.023 0.000 0.266 41 E C -1.407 175.385 176.600 0.320 0.000 0.883 41 E CA -0.590 55.897 56.400 0.146 0.000 0.761 41 E CB 1.184 30.837 29.700 -0.078 0.000 1.156 41 E HN 0.592 nan 8.360 nan 0.000 0.412 42 S N 2.059 117.987 115.700 0.381 0.000 2.513 42 S HA 0.624 5.108 4.470 0.023 0.000 0.299 42 S C -0.910 173.892 174.600 0.335 0.000 1.087 42 S CA -0.780 57.652 58.200 0.387 0.000 1.012 42 S CB 1.783 65.313 63.200 0.550 0.000 1.044 42 S HN 0.654 nan 8.310 nan 0.000 0.485 43 T N -1.144 113.430 114.554 0.034 0.000 2.909 43 T HA 0.478 4.841 4.350 0.023 0.000 0.299 43 T C 0.700 174.760 174.700 -1.067 0.000 1.073 43 T CA -0.972 60.903 62.100 -0.374 0.000 0.999 43 T CB 1.700 70.468 68.868 -0.167 0.000 1.098 43 T HN 0.450 nan 8.240 nan 0.000 0.477 44 R N 1.083 120.547 120.500 -1.726 0.000 2.117 44 R HA -0.133 4.220 4.340 0.023 0.000 0.243 44 R C 2.168 178.126 176.300 -0.571 0.000 1.143 44 R CA 2.229 57.452 56.100 -1.462 0.000 0.968 44 R CB -0.706 28.823 30.300 -1.285 0.000 0.863 44 R HN 0.839 nan 8.270 nan 0.000 0.444 45 S N -1.780 113.692 115.700 -0.379 0.000 2.507 45 S HA 0.037 4.521 4.470 0.023 0.000 0.235 45 S C 1.295 175.803 174.600 -0.153 0.000 0.988 45 S CA 0.923 59.006 58.200 -0.196 0.000 0.944 45 S CB 0.484 63.608 63.200 -0.125 0.000 0.762 45 S HN 0.574 nan 8.310 nan 0.000 0.526 46 G N 0.629 109.322 108.800 -0.179 0.000 2.370 46 G HA2 -0.103 3.870 3.960 0.023 0.000 0.174 46 G HA3 -0.103 3.870 3.960 0.023 0.000 0.174 46 G C -0.026 174.833 174.900 -0.069 0.000 1.002 46 G CA -0.720 44.320 45.100 -0.101 0.000 0.730 46 G HN 0.416 nan 8.290 nan 0.000 0.497 47 R N 0.757 121.223 120.500 -0.057 0.000 2.590 47 R HA 0.483 4.837 4.340 0.023 0.000 0.274 47 R C -0.331 175.974 176.300 0.008 0.000 1.061 47 R CA -0.004 56.090 56.100 -0.011 0.000 1.081 47 R CB 0.486 30.800 30.300 0.023 0.000 0.984 47 R HN 0.092 nan 8.270 nan 0.000 0.448 48 R N 3.505 123.995 120.500 -0.016 0.000 2.422 48 R HA 0.221 4.574 4.340 0.023 0.000 0.307 48 R C 0.278 176.646 176.300 0.114 0.000 1.004 48 R CA -0.598 55.446 56.100 -0.093 0.000 0.882 48 R CB 1.133 31.177 30.300 -0.427 0.000 1.164 48 R HN 0.748 nan 8.270 nan 0.000 0.489 49 M N 0.610 120.391 119.600 0.303 0.000 2.169 49 M HA -0.253 4.241 4.480 0.023 0.000 0.196 49 M C -0.129 176.460 176.300 0.482 0.000 0.355 49 M CA 1.255 56.832 55.300 0.460 0.000 0.396 49 M CB -1.078 31.905 32.600 0.638 0.000 1.125 49 M HN 0.476 nan 8.290 nan 0.000 0.939 50 E N 1.070 121.425 120.200 0.259 0.000 2.316 50 E HA 0.343 4.707 4.350 0.023 0.000 0.275 50 E C -0.536 176.046 176.600 -0.029 0.000 1.029 50 E CA -0.361 56.110 56.400 0.117 0.000 0.871 50 E CB 0.991 30.720 29.700 0.047 0.000 1.022 50 E HN 0.346 nan 8.360 nan 0.000 0.418 51 L N 3.505 124.649 121.223 -0.131 0.000 2.289 51 L HA 0.332 4.686 4.340 0.023 0.000 0.285 51 L C -0.520 176.180 176.870 -0.284 0.000 1.049 51 L CA 0.158 54.736 54.840 -0.438 0.000 0.804 51 L CB 1.248 42.980 42.059 -0.545 0.000 1.195 51 L HN 0.521 nan 8.230 nan 0.000 0.428 52 S N 5.337 120.845 115.700 -0.320 0.000 2.720 52 S HA 0.809 5.292 4.470 0.023 0.000 0.287 52 S C -0.818 173.627 174.600 -0.258 0.000 1.168 52 S CA -0.939 57.125 58.200 -0.225 0.000 0.832 52 S CB 1.653 64.761 63.200 -0.153 0.000 1.166 52 S HN 0.850 nan 8.310 nan 0.000 0.493 53 M N 0.568 120.002 119.600 -0.277 0.000 2.575 53 M HA 0.748 5.241 4.480 0.023 0.000 0.284 53 M C -1.005 174.954 176.300 -0.568 0.000 1.253 53 M CA -0.013 55.031 55.300 -0.427 0.000 0.861 53 M CB 1.588 34.016 32.600 -0.288 0.000 1.733 53 M HN 1.248 nan 8.290 nan 0.000 0.462 54 G N 2.564 110.755 108.800 -1.014 0.000 2.660 54 G HA2 0.742 4.716 3.960 0.023 0.000 0.290 54 G HA3 0.742 4.716 3.960 0.023 0.000 0.290 54 G C -3.394 171.114 174.900 -0.654 0.000 1.432 54 G CA -0.749 43.858 45.100 -0.823 0.000 0.807 54 G HN 0.461 nan 8.290 nan 0.000 0.485 55 P HA 0.457 nan 4.420 nan 0.000 0.286 55 P C -0.476 176.924 177.300 0.167 0.000 1.261 55 P CA -0.468 62.620 63.100 -0.020 0.000 0.821 55 P CB 1.869 33.573 31.700 0.007 0.000 1.013 56 I N 3.220 123.866 120.570 0.125 0.000 2.363 56 I HA 0.063 4.247 4.170 0.023 0.000 0.292 56 I C 1.361 177.520 176.117 0.070 0.000 1.075 56 I CA -0.282 61.068 61.300 0.084 0.000 1.333 56 I CB 0.195 38.179 38.000 -0.026 0.000 1.415 56 I HN 0.160 nan 8.210 nan 0.000 0.502 57 Q N 5.115 124.975 119.800 0.100 0.000 2.443 57 Q HA 0.239 4.592 4.340 0.023 0.000 0.232 57 Q C 0.820 176.923 176.000 0.171 0.000 1.026 57 Q CA -0.163 55.709 55.803 0.115 0.000 0.924 57 Q CB 0.854 29.660 28.738 0.113 0.000 1.256 57 Q HN 0.786 nan 8.270 nan 0.000 0.519 58 A N 1.137 124.043 122.820 0.143 0.000 2.095 58 A HA 0.013 4.347 4.320 0.023 0.000 0.212 58 A C 0.680 178.402 177.584 0.229 0.000 1.162 58 A CA 0.794 52.938 52.037 0.179 0.000 0.753 58 A CB 0.027 19.085 19.000 0.098 0.000 0.840 58 A HN 0.791 nan 8.150 nan 0.000 0.468 59 N N -0.782 117.960 118.700 0.069 0.000 2.312 59 N HA 0.410 5.163 4.740 0.023 0.000 0.296 59 N C -1.073 174.165 175.510 -0.453 0.000 1.193 59 N CA -0.594 52.371 53.050 -0.141 0.000 0.773 59 N CB 1.152 39.587 38.487 -0.087 0.000 1.435 59 N HN 0.232 nan 8.380 nan 0.000 0.484 60 H N 0.047 118.623 119.070 -0.824 0.000 3.029 60 H HA 0.410 4.976 4.556 0.018 0.000 0.358 60 H C -1.754 173.304 175.328 -0.450 0.000 1.129 60 H CA -0.468 55.105 56.048 -0.793 0.000 1.230 60 H CB 1.608 30.494 29.762 -1.460 0.000 1.827 60 H HN 0.825 nan 8.280 nan 0.000 0.530 61 T N 1.599 115.593 114.554 -0.934 0.000 2.901 61 T HA 0.703 5.067 4.350 0.023 0.000 0.293 61 T C 0.121 174.388 174.700 -0.722 0.000 1.084 61 T CA 0.015 61.702 62.100 -0.688 0.000 1.008 61 T CB 1.882 70.549 68.868 -0.335 0.000 1.170 61 T HN 1.236 nan 8.240 nan 0.000 0.509 62 G N 0.398 108.968 108.800 -0.383 0.000 2.629 62 G HA2 0.351 4.324 3.960 0.023 0.000 0.686 62 G HA3 0.351 4.324 3.960 0.023 0.000 0.686 62 G C 0.363 175.194 174.900 -0.115 0.000 1.232 62 G CA 0.532 45.510 45.100 -0.203 0.000 0.803 62 G HN 2.790 nan 8.290 nan 0.000 0.638 63 T N -3.691 110.854 114.554 -0.014 0.000 11.540 63 T HA -0.055 4.309 4.350 0.023 0.000 0.374 63 T C 2.413 177.132 174.700 0.031 0.000 1.748 63 T CA 1.812 63.912 62.100 0.000 0.000 2.871 63 T CB -1.641 67.214 68.868 -0.022 0.000 2.347 63 T HN 2.586 nan 8.240 nan 0.000 0.592 64 G N 1.584 110.421 108.800 0.061 0.000 2.528 64 G HA2 0.612 4.585 3.960 0.023 0.000 0.289 64 G HA3 0.612 4.585 3.960 0.023 0.000 0.289 64 G C -0.189 174.749 174.900 0.064 0.000 1.192 64 G CA -0.446 44.691 45.100 0.061 0.000 0.921 64 G HN 0.909 nan 8.290 nan 0.000 0.512 65 L N -0.162 121.079 121.223 0.031 0.000 2.540 65 L HA 0.391 4.745 4.340 0.023 0.000 0.276 65 L C -0.329 176.537 176.870 -0.008 0.000 1.212 65 L CA 0.047 54.895 54.840 0.013 0.000 0.893 65 L CB 0.621 42.681 42.059 0.001 0.000 1.138 65 L HN 0.365 nan 8.230 nan 0.000 0.491 66 L N 6.226 127.445 121.223 -0.007 0.000 2.406 66 L HA 0.553 4.906 4.340 0.023 0.000 0.272 66 L C -1.477 175.374 176.870 -0.032 0.000 0.980 66 L CA -0.290 54.526 54.840 -0.040 0.000 0.831 66 L CB 1.541 43.594 42.059 -0.011 0.000 1.253 66 L HN 0.528 nan 8.230 nan 0.000 0.406 67 L N 4.876 126.064 121.223 -0.060 0.000 2.265 67 L HA 0.538 4.892 4.340 0.023 0.000 0.289 67 L C -0.239 176.602 176.870 -0.049 0.000 1.033 67 L CA -0.419 54.397 54.840 -0.040 0.000 0.814 67 L CB 1.456 43.493 42.059 -0.036 0.000 1.203 67 L HN 0.592 nan 8.230 nan 0.000 0.423 68 T N 3.984 118.524 114.554 -0.023 0.000 2.749 68 T HA 0.358 4.721 4.350 0.023 0.000 0.287 68 T C -0.143 174.558 174.700 0.002 0.000 0.970 68 T CA -0.470 61.611 62.100 -0.032 0.000 0.980 68 T CB 1.561 70.416 68.868 -0.023 0.000 0.924 68 T HN 0.243 nan 8.240 nan 0.000 0.456 69 L N 4.077 125.307 121.223 0.012 0.000 2.455 69 L HA 0.173 4.527 4.340 0.023 0.000 0.272 69 L C 0.206 177.094 176.870 0.030 0.000 1.174 69 L CA 0.591 55.462 54.840 0.053 0.000 0.869 69 L CB 0.324 42.455 42.059 0.119 0.000 1.130 69 L HN 0.622 nan 8.230 nan 0.000 0.474 70 Q N 7.081 126.903 119.800 0.037 0.000 2.644 70 Q HA 0.266 4.619 4.340 0.023 0.000 0.245 70 Q C -1.776 174.222 176.000 -0.004 0.000 1.064 70 Q CA -1.639 54.175 55.803 0.018 0.000 0.860 70 Q CB 0.879 29.636 28.738 0.031 0.000 1.145 70 Q HN 0.537 nan 8.270 nan 0.000 0.515 71 P HA -0.173 nan 4.420 nan 0.000 0.226 71 P C 0.333 177.598 177.300 -0.060 0.000 1.146 71 P CA 1.167 64.249 63.100 -0.029 0.000 0.773 71 P CB 0.504 32.194 31.700 -0.018 0.000 0.772 72 E N -0.654 119.509 120.200 -0.063 0.000 2.474 72 E HA 0.064 4.428 4.350 0.023 0.000 0.195 72 E C 0.650 177.164 176.600 -0.144 0.000 1.039 72 E CA 0.213 56.563 56.400 -0.085 0.000 0.881 72 E CB 0.031 29.698 29.700 -0.054 0.000 0.970 72 E HN 0.499 nan 8.360 nan 0.000 0.486 73 Q N 1.610 121.303 119.800 -0.178 0.000 2.503 73 Q HA 0.215 4.568 4.340 0.023 0.000 0.227 73 Q C -0.376 175.179 176.000 -0.741 0.000 1.109 73 Q CA 0.039 55.617 55.803 -0.375 0.000 0.922 73 Q CB 0.790 29.421 28.738 -0.180 0.000 1.249 73 Q HN -0.113 nan 8.270 nan 0.000 0.530 74 K N 2.804 122.767 120.400 -0.730 0.000 2.183 74 K HA 0.412 4.745 4.320 0.023 0.000 0.274 74 K C -0.606 175.504 176.600 -0.817 0.000 1.009 74 K CA -0.036 55.891 56.287 -0.601 0.000 0.888 74 K CB 0.966 33.308 32.500 -0.264 0.000 1.078 74 K HN 0.290 nan 8.250 nan 0.000 0.459 75 F N 0.237 120.199 119.950 0.020 0.000 3.168 75 F HA 0.145 4.685 4.527 0.022 0.000 0.237 75 F C 0.843 176.668 175.800 0.042 0.000 1.560 75 F CA -0.988 57.030 58.000 0.030 0.000 0.948 75 F CB -0.100 38.892 39.000 -0.014 0.000 1.885 75 F HN 0.356 nan 8.300 nan 0.000 0.360 76 Q N 2.526 122.494 119.800 0.280 0.000 2.392 76 Q HA 0.188 4.541 4.340 0.023 0.000 0.262 76 Q C -1.106 174.973 176.000 0.131 0.000 1.003 76 Q CA 0.002 55.908 55.803 0.173 0.000 0.888 76 Q CB 0.953 29.777 28.738 0.142 0.000 1.260 76 Q HN 0.478 nan 8.270 nan 0.000 0.435 77 K N 1.192 121.656 120.400 0.108 0.000 2.098 77 K HA 0.430 4.764 4.320 0.023 0.000 0.257 77 K C -0.630 176.016 176.600 0.075 0.000 0.999 77 K CA -0.770 55.568 56.287 0.086 0.000 0.924 77 K CB 1.401 33.945 32.500 0.074 0.000 1.028 77 K HN 0.440 nan 8.250 nan 0.000 0.466 78 V N 2.829 122.776 119.914 0.056 0.000 2.398 78 V HA 0.058 4.192 4.120 0.023 0.000 0.286 78 V C 1.000 177.083 176.094 -0.019 0.000 1.026 78 V CA -0.297 62.017 62.300 0.023 0.000 0.868 78 V CB 1.429 33.285 31.823 0.056 0.000 0.982 78 V HN 0.743 nan 8.190 nan 0.000 0.443 79 K N 3.993 124.366 120.400 -0.045 0.000 2.021 79 K HA 0.375 4.709 4.320 0.023 0.000 0.205 79 K C 0.721 177.213 176.600 -0.180 0.000 1.047 79 K CA 1.533 57.751 56.287 -0.115 0.000 0.943 79 K CB -0.097 32.345 32.500 -0.097 0.000 0.725 79 K HN 0.979 nan 8.250 nan 0.000 0.439 80 G N -2.192 106.449 108.800 -0.265 0.000 2.345 80 G HA2 0.276 4.250 3.960 0.023 0.000 0.285 80 G HA3 0.276 4.250 3.960 0.023 0.000 0.285 80 G C -1.600 172.929 174.900 -0.618 0.000 1.297 80 G CA -0.893 44.024 45.100 -0.306 0.000 0.875 80 G HN 0.023 nan 8.290 nan 0.000 0.506 81 F N -0.128 119.783 119.950 -0.065 0.000 2.578 81 F HA 0.822 5.364 4.527 0.025 0.000 0.311 81 F C 0.777 176.310 175.800 -0.444 0.000 1.094 81 F CA 0.560 58.464 58.000 -0.161 0.000 0.923 81 F CB 2.517 41.466 39.000 -0.086 0.000 1.230 81 F HN 1.171 nan 8.300 nan 0.000 0.450 82 G N 0.221 108.706 108.800 -0.525 0.000 2.510 82 G HA2 0.609 4.583 3.960 0.023 0.000 0.277 82 G HA3 0.609 4.583 3.960 0.023 0.000 0.277 82 G C -1.259 173.227 174.900 -0.691 0.000 1.223 82 G CA -0.039 44.436 45.100 -1.042 0.000 0.887 82 G HN 1.040 nan 8.290 nan 0.000 0.485 83 G N -1.643 106.988 108.800 -0.282 0.000 2.721 83 G HA2 0.761 4.735 3.960 0.023 0.000 0.296 83 G HA3 0.761 4.735 3.960 0.023 0.000 0.296 83 G C -1.194 173.761 174.900 0.091 0.000 1.383 83 G CA 0.436 45.517 45.100 -0.032 0.000 0.788 83 G HN 1.707 nan 8.290 nan 0.000 0.500 84 A N -0.183 122.713 122.820 0.126 0.000 2.260 84 A HA 0.610 4.944 4.320 0.023 0.000 0.314 84 A C -0.071 177.554 177.584 0.067 0.000 1.257 84 A CA -0.583 51.556 52.037 0.170 0.000 0.871 84 A CB 1.106 20.308 19.000 0.336 0.000 1.166 84 A HN 0.653 nan 8.150 nan 0.000 0.522 85 M N 4.199 123.868 119.600 0.114 0.000 3.436 85 M HA 0.163 4.657 4.480 0.023 0.000 0.240 85 M C 0.841 177.175 176.300 0.056 0.000 1.469 85 M CA -0.170 55.182 55.300 0.085 0.000 1.622 85 M CB -1.093 31.581 32.600 0.123 0.000 1.098 85 M HN 0.770 nan 8.290 nan 0.000 0.568 86 T N -1.519 113.004 114.554 -0.050 0.000 2.748 86 T HA 0.158 4.522 4.350 0.023 0.000 0.304 86 T C 0.930 175.619 174.700 -0.018 0.000 1.041 86 T CA -0.545 61.500 62.100 -0.092 0.000 1.033 86 T CB 0.658 69.331 68.868 -0.324 0.000 0.995 86 T HN 0.487 nan 8.240 nan 0.000 0.536 87 D N 1.161 121.572 120.400 0.017 0.000 2.106 87 D HA -0.140 4.513 4.640 0.023 0.000 0.191 87 D C 2.427 178.754 176.300 0.044 0.000 0.997 87 D CA 1.961 55.995 54.000 0.058 0.000 0.834 87 D CB -0.993 39.865 40.800 0.096 0.000 0.956 87 D HN 0.760 nan 8.370 nan 0.000 0.448 88 A N 1.194 124.045 122.820 0.052 0.000 1.873 88 A HA -0.169 4.165 4.320 0.023 0.000 0.218 88 A C 2.365 179.952 177.584 0.006 0.000 1.193 88 A CA 3.007 55.086 52.037 0.069 0.000 0.629 88 A CB -0.983 18.123 19.000 0.177 0.000 0.826 88 A HN 0.274 nan 8.150 nan 0.000 0.447 89 A N -0.419 122.367 122.820 -0.058 0.000 1.877 89 A HA 0.143 4.477 4.320 0.023 0.000 0.216 89 A C 2.553 180.134 177.584 -0.005 0.000 1.186 89 A CA 2.384 54.389 52.037 -0.053 0.000 0.620 89 A CB -1.131 17.815 19.000 -0.090 0.000 0.822 89 A HN 1.156 nan 8.150 nan 0.000 0.443 90 A N -0.407 122.418 122.820 0.010 0.000 1.877 90 A HA -0.034 4.300 4.320 0.023 0.000 0.216 90 A C 2.155 179.750 177.584 0.017 0.000 1.186 90 A CA 1.780 53.830 52.037 0.022 0.000 0.620 90 A CB -0.740 18.280 19.000 0.034 0.000 0.822 90 A HN 0.839 nan 8.150 nan 0.000 0.443 91 L N 0.725 121.961 121.223 0.022 0.000 2.013 91 L HA -0.230 4.123 4.340 0.023 0.000 0.212 91 L C 1.912 178.791 176.870 0.016 0.000 1.073 91 L CA 2.522 57.376 54.840 0.022 0.000 0.753 91 L CB -0.879 41.201 42.059 0.035 0.000 0.890 91 L HN 0.383 nan 8.230 nan 0.000 0.432 92 N N 0.029 118.737 118.700 0.013 0.000 2.084 92 N HA -0.178 4.576 4.740 0.023 0.000 0.190 92 N C 1.984 177.488 175.510 -0.010 0.000 1.030 92 N CA 2.143 55.196 53.050 0.005 0.000 0.849 92 N CB -0.342 38.146 38.487 0.002 0.000 1.012 92 N HN 0.463 nan 8.380 nan 0.000 0.423 93 I N 1.310 121.868 120.570 -0.020 0.000 2.208 93 I HA -0.229 3.955 4.170 0.023 0.000 0.245 93 I C 1.968 178.073 176.117 -0.019 0.000 1.097 93 I CA 0.968 62.244 61.300 -0.040 0.000 1.363 93 I CB -0.215 37.769 38.000 -0.026 0.000 1.051 93 I HN 0.052 nan 8.210 nan 0.000 0.413 94 L N 0.315 121.535 121.223 -0.003 0.000 2.552 94 L HA -0.022 4.331 4.340 0.023 0.000 0.227 94 L C 2.443 179.317 176.870 0.006 0.000 1.146 94 L CA 0.377 55.218 54.840 0.002 0.000 0.858 94 L CB -0.431 41.631 42.059 0.006 0.000 0.969 94 L HN 0.222 nan 8.230 nan 0.000 0.451 95 A N -0.348 122.476 122.820 0.007 0.000 2.178 95 A HA 0.183 4.517 4.320 0.023 0.000 0.211 95 A C 1.103 178.695 177.584 0.014 0.000 1.157 95 A CA 0.058 52.101 52.037 0.011 0.000 0.780 95 A CB -0.064 18.944 19.000 0.013 0.000 0.828 95 A HN 0.232 nan 8.150 nan 0.000 0.476 96 L N 0.730 121.962 121.223 0.015 0.000 2.456 96 L HA 0.268 4.622 4.340 0.023 0.000 0.257 96 L C 1.029 177.915 176.870 0.027 0.000 1.162 96 L CA -0.478 54.379 54.840 0.028 0.000 0.808 96 L CB 0.962 43.045 42.059 0.041 0.000 1.136 96 L HN 0.332 nan 8.230 nan 0.000 0.466 97 S N 0.260 115.981 115.700 0.034 0.000 2.576 97 S HA 0.181 4.664 4.470 0.023 0.000 0.276 97 S C -1.866 172.752 174.600 0.031 0.000 1.339 97 S CA -1.085 57.132 58.200 0.029 0.000 1.039 97 S CB 0.990 64.207 63.200 0.028 0.000 0.902 97 S HN 0.398 nan 8.310 nan 0.000 0.516 98 P HA -0.152 nan 4.420 nan 0.000 0.219 98 P C -1.528 175.790 177.300 0.031 0.000 1.158 98 P CA 1.903 65.016 63.100 0.023 0.000 0.895 98 P CB -1.328 30.383 31.700 0.018 0.000 0.792 99 P HA -0.050 nan 4.420 nan 0.000 0.217 99 P C 1.437 178.779 177.300 0.070 0.000 1.151 99 P CA 1.735 64.861 63.100 0.043 0.000 0.828 99 P CB -0.613 31.108 31.700 0.035 0.000 0.788 100 A N 0.035 122.910 122.820 0.091 0.000 1.877 100 A HA -0.279 4.054 4.320 0.023 0.000 0.216 100 A C 2.288 179.953 177.584 0.135 0.000 1.186 100 A CA 1.736 53.882 52.037 0.182 0.000 0.620 100 A CB -1.518 17.594 19.000 0.186 0.000 0.822 100 A HN 0.146 nan 8.150 nan 0.000 0.443 101 Q N -0.234 119.592 119.800 0.042 0.000 2.096 101 Q HA -0.237 4.117 4.340 0.023 0.000 0.208 101 Q C 1.912 177.904 176.000 -0.013 0.000 0.993 101 Q CA 1.847 57.639 55.803 -0.019 0.000 0.862 101 Q CB -0.270 28.467 28.738 -0.001 0.000 0.915 101 Q HN 0.684 nan 8.270 nan 0.000 0.416 102 N N 0.263 118.980 118.700 0.027 0.000 2.142 102 N HA -0.099 4.655 4.740 0.023 0.000 0.186 102 N C 1.894 177.437 175.510 0.054 0.000 1.023 102 N CA 0.944 54.018 53.050 0.040 0.000 0.852 102 N CB -0.287 38.224 38.487 0.040 0.000 0.998 102 N HN 0.223 nan 8.380 nan 0.000 0.424 103 L N 0.943 122.219 121.223 0.089 0.000 2.043 103 L HA -0.162 4.192 4.340 0.023 0.000 0.212 103 L C 2.451 179.406 176.870 0.142 0.000 1.075 103 L CA 0.883 55.813 54.840 0.150 0.000 0.752 103 L CB -0.516 41.680 42.059 0.228 0.000 0.891 103 L HN 0.152 nan 8.230 nan 0.000 0.432 104 L N -0.269 120.898 121.223 -0.094 0.000 1.976 104 L HA -0.245 4.109 4.340 0.023 0.000 0.209 104 L C 2.551 179.328 176.870 -0.154 0.000 1.071 104 L CA 1.467 55.984 54.840 -0.538 0.000 0.746 104 L CB -0.156 41.328 42.059 -0.959 0.000 0.890 104 L HN 0.168 nan 8.230 nan 0.000 0.432 105 L N -0.371 120.862 121.223 0.017 0.000 2.079 105 L HA -0.275 4.078 4.340 0.023 0.000 0.210 105 L C 2.647 179.687 176.870 0.283 0.000 1.081 105 L CA 1.401 56.394 54.840 0.254 0.000 0.752 105 L CB -0.588 41.581 42.059 0.183 0.000 0.896 105 L HN 0.279 nan 8.230 nan 0.000 0.433 106 K N -0.291 120.193 120.400 0.139 0.000 2.026 106 K HA -0.132 4.201 4.320 0.023 0.000 0.208 106 K C 2.304 178.956 176.600 0.087 0.000 1.048 106 K CA 1.602 57.963 56.287 0.123 0.000 0.929 106 K CB -0.178 32.370 32.500 0.079 0.000 0.713 106 K HN 0.164 nan 8.250 nan 0.000 0.439 107 S N 0.284 115.993 115.700 0.015 0.000 2.392 107 S HA -0.191 4.293 4.470 0.023 0.000 0.232 107 S C 1.793 176.387 174.600 -0.010 0.000 1.041 107 S CA 1.478 59.666 58.200 -0.020 0.000 1.026 107 S CB -0.316 62.737 63.200 -0.244 0.000 0.845 107 S HN 0.349 nan 8.310 nan 0.000 0.465 108 Y N -1.321 118.878 120.300 -0.169 0.000 2.301 108 Y HA 0.144 4.707 4.550 0.023 0.000 0.295 108 Y C 1.639 177.100 175.900 -0.732 0.000 1.119 108 Y CA 0.499 58.169 58.100 -0.717 0.000 1.162 108 Y CB 0.122 37.922 38.460 -1.100 0.000 1.046 108 Y HN 0.210 nan 8.280 nan 0.000 0.538 109 F N -1.380 118.646 119.950 0.126 0.000 2.694 109 F HA 0.105 4.646 4.527 0.024 0.000 0.292 109 F C 1.362 177.203 175.800 0.068 0.000 1.121 109 F CA -0.283 57.783 58.000 0.109 0.000 1.352 109 F CB 0.082 39.151 39.000 0.115 0.000 1.107 109 F HN -0.237 nan 8.300 nan 0.000 0.597 110 S N 0.273 116.094 115.700 0.200 0.000 2.632 110 S HA 0.111 4.595 4.470 0.023 0.000 0.267 110 S C 1.217 175.859 174.600 0.070 0.000 1.276 110 S CA -0.604 57.674 58.200 0.130 0.000 0.998 110 S CB 1.068 64.335 63.200 0.112 0.000 0.953 110 S HN 0.121 nan 8.310 nan 0.000 0.547 111 E N 1.085 121.313 120.200 0.047 0.000 2.204 111 E HA -0.114 4.250 4.350 0.023 0.000 0.195 111 E C 1.298 177.915 176.600 0.028 0.000 0.990 111 E CA 1.077 57.477 56.400 -0.000 0.000 0.821 111 E CB -0.284 29.416 29.700 0.001 0.000 0.750 111 E HN 0.738 nan 8.360 nan 0.000 0.477 112 E N 0.070 120.323 120.200 0.088 0.000 2.511 112 E HA 0.045 4.409 4.350 0.023 0.000 0.196 112 E C 0.978 177.745 176.600 0.279 0.000 1.066 112 E CA 0.502 57.003 56.400 0.168 0.000 0.871 112 E CB 0.096 29.861 29.700 0.109 0.000 0.863 112 E HN 0.258 nan 8.360 nan 0.000 0.520 113 G N 0.300 109.222 108.800 0.203 0.000 3.341 113 G HA2 0.352 4.326 3.960 0.023 0.000 0.177 113 G HA3 0.352 4.326 3.960 0.023 0.000 0.177 113 G C 0.472 175.417 174.900 0.075 0.000 1.236 113 G CA -0.220 45.020 45.100 0.232 0.000 0.888 113 G HN 0.222 nan 8.290 nan 0.000 0.644 114 I N -2.232 118.270 120.570 -0.113 0.000 3.927 114 I HA 0.529 4.712 4.170 0.023 0.000 0.332 114 I C 1.102 177.057 176.117 -0.270 0.000 1.485 114 I CA 0.292 61.393 61.300 -0.331 0.000 1.131 114 I CB 0.565 38.236 38.000 -0.548 0.000 1.092 114 I HN 0.801 nan 8.210 nan 0.000 0.410 115 G N 1.356 110.064 108.800 -0.153 0.000 2.273 115 G HA2 -0.323 3.651 3.960 0.023 0.000 0.280 115 G HA3 -0.323 3.651 3.960 0.023 0.000 0.280 115 G C -0.037 174.939 174.900 0.126 0.000 1.047 115 G CA -0.034 45.042 45.100 -0.041 0.000 0.869 115 G HN 0.663 nan 8.290 nan 0.000 0.502 116 Y N 0.372 120.623 120.300 -0.081 0.000 2.610 116 Y HA 0.108 4.671 4.550 0.022 0.000 0.332 116 Y C 1.659 177.635 175.900 0.127 0.000 1.201 116 Y CA 0.250 58.324 58.100 -0.044 0.000 1.465 116 Y CB 0.621 38.872 38.460 -0.349 0.000 1.283 116 Y HN 0.454 nan 8.280 nan 0.000 0.563 117 N N 2.348 121.173 118.700 0.209 0.000 2.143 117 N HA 0.089 4.842 4.740 0.023 0.000 0.229 117 N C -0.915 174.637 175.510 0.070 0.000 1.294 117 N CA 0.184 53.322 53.050 0.147 0.000 0.883 117 N CB 0.595 39.124 38.487 0.071 0.000 1.148 117 N HN 0.251 nan 8.380 nan 0.000 0.511 118 I N 1.779 122.383 120.570 0.058 0.000 2.441 118 I HA 0.491 4.674 4.170 0.023 0.000 0.295 118 I C -0.247 175.954 176.117 0.140 0.000 0.994 118 I CA -0.834 60.504 61.300 0.063 0.000 1.144 118 I CB 1.830 39.869 38.000 0.065 0.000 1.314 118 I HN -0.096 nan 8.210 nan 0.000 0.445 119 I N 5.173 125.847 120.570 0.172 0.000 2.447 119 I HA 0.402 4.585 4.170 0.023 0.000 0.287 119 I C 0.109 176.359 176.117 0.222 0.000 1.023 119 I CA -0.686 60.732 61.300 0.196 0.000 1.083 119 I CB 2.102 40.208 38.000 0.177 0.000 1.245 119 I HN 0.521 nan 8.210 nan 0.000 0.434 120 R N 5.535 126.178 120.500 0.237 0.000 2.308 120 R HA 0.629 4.982 4.340 0.023 0.000 0.305 120 R C -1.415 175.064 176.300 0.298 0.000 1.053 120 R CA -0.350 55.924 56.100 0.289 0.000 0.957 120 R CB 1.206 31.685 30.300 0.299 0.000 1.022 120 R HN 0.476 nan 8.270 nan 0.000 0.461 121 V N 7.432 127.544 119.914 0.330 0.000 2.407 121 V HA 0.343 4.477 4.120 0.023 0.000 0.291 121 V C -2.241 174.001 176.094 0.247 0.000 1.018 121 V CA -2.204 60.281 62.300 0.308 0.000 0.842 121 V CB 1.610 33.680 31.823 0.411 0.000 0.996 121 V HN 0.840 nan 8.190 nan 0.000 0.426 122 P HA 0.282 nan 4.420 nan 0.000 0.271 122 P C -0.341 176.979 177.300 0.033 0.000 1.216 122 P CA -0.203 62.993 63.100 0.161 0.000 0.776 122 P CB 0.441 32.074 31.700 -0.112 0.000 0.881 123 M N 3.274 122.803 119.600 -0.118 0.000 2.383 123 M HA 0.414 4.908 4.480 0.023 0.000 0.337 123 M C 0.771 176.929 176.300 -0.236 0.000 1.422 123 M CA 0.269 55.398 55.300 -0.286 0.000 1.333 123 M CB -0.753 31.451 32.600 -0.660 0.000 1.488 123 M HN 0.582 nan 8.290 nan 0.000 0.454 124 A N 1.710 124.339 122.820 -0.318 0.000 5.950 124 A HA -0.167 4.167 4.320 0.023 0.000 0.259 124 A C 0.334 177.582 177.584 -0.560 0.000 2.176 124 A CA 0.417 52.098 52.037 -0.593 0.000 0.709 124 A CB -1.762 16.632 19.000 -1.009 0.000 1.054 124 A HN 0.919 nan 8.150 nan 0.000 0.357 125 S N -0.162 114.953 115.700 -0.975 0.000 2.601 125 S HA 0.619 5.102 4.470 0.023 0.000 0.271 125 S C 0.483 174.772 174.600 -0.518 0.000 1.305 125 S CA 0.204 57.894 58.200 -0.851 0.000 1.022 125 S CB 0.626 63.095 63.200 -1.217 0.000 0.940 125 S HN 2.491 nan 8.310 nan 0.000 0.525 126 C N 0.753 119.764 119.300 -0.482 0.000 3.277 126 C HA 0.661 5.135 4.460 0.023 0.000 0.367 126 C C 1.377 176.307 174.990 -0.100 0.000 1.949 126 C CA -0.039 58.640 59.018 -0.565 0.000 1.428 126 C CB 0.612 27.513 27.740 -1.398 0.000 2.409 126 C HN 0.877 nan 8.230 nan 0.000 0.460 127 D N 0.523 120.861 120.400 -0.103 0.000 2.218 127 D HA -0.120 4.533 4.640 0.023 0.000 0.204 127 D C 0.620 176.698 176.300 -0.371 0.000 0.976 127 D CA 1.102 54.945 54.000 -0.261 0.000 0.853 127 D CB -0.493 39.613 40.800 -1.157 0.000 0.939 127 D HN 0.593 nan 8.370 nan 0.000 0.481 128 F N 1.254 121.137 119.950 -0.111 0.000 2.833 128 F HA 0.303 4.844 4.527 0.023 0.000 0.327 128 F C 0.399 176.154 175.800 -0.076 0.000 1.184 128 F CA -0.095 57.829 58.000 -0.127 0.000 1.328 128 F CB 0.069 38.881 39.000 -0.313 0.000 1.440 128 F HN -0.258 nan 8.300 nan 0.000 0.569 129 S N 0.435 116.189 115.700 0.090 0.000 2.627 129 S HA 0.496 4.980 4.470 0.023 0.000 0.283 129 S C 0.680 175.362 174.600 0.136 0.000 1.127 129 S CA -0.720 57.530 58.200 0.083 0.000 0.863 129 S CB 1.855 65.037 63.200 -0.029 0.000 1.121 129 S HN 0.388 nan 8.310 nan 0.000 0.479 130 I N -0.722 119.911 120.570 0.104 0.000 3.976 130 I HA 0.440 4.623 4.170 0.023 0.000 0.337 130 I C 0.164 176.307 176.117 0.044 0.000 1.359 130 I CA -0.318 61.050 61.300 0.114 0.000 1.098 130 I CB -0.140 37.915 38.000 0.092 0.000 1.027 130 I HN 0.504 nan 8.210 nan 0.000 0.394 131 R N 0.491 120.963 120.500 -0.046 0.000 2.692 131 R HA 0.501 4.854 4.340 0.023 0.000 0.269 131 R C -0.929 175.183 176.300 -0.313 0.000 1.030 131 R CA -0.523 55.485 56.100 -0.154 0.000 0.882 131 R CB 0.691 30.980 30.300 -0.017 0.000 1.250 131 R HN 0.096 nan 8.270 nan 0.000 0.465 132 T N -0.495 113.771 114.554 -0.479 0.000 2.799 132 T HA 0.645 5.009 4.350 0.023 0.000 0.286 132 T C -0.548 174.037 174.700 -0.191 0.000 0.973 132 T CA -0.541 61.238 62.100 -0.534 0.000 1.035 132 T CB 0.559 68.996 68.868 -0.717 0.000 0.932 132 T HN 0.658 nan 8.240 nan 0.000 0.469 133 Y N -0.846 119.310 120.300 -0.240 0.000 2.620 133 Y HA 0.695 5.259 4.550 0.023 0.000 0.331 133 Y C -0.551 175.249 175.900 -0.166 0.000 1.173 133 Y CA -1.118 56.886 58.100 -0.160 0.000 1.076 133 Y CB 0.736 39.118 38.460 -0.130 0.000 1.336 133 Y HN 0.956 nan 8.280 nan 0.000 0.459 134 T N -2.307 112.256 114.554 0.015 0.000 2.858 134 T HA 0.428 4.792 4.350 0.023 0.000 0.285 134 T C -0.392 174.367 174.700 0.099 0.000 1.052 134 T CA -0.689 61.374 62.100 -0.061 0.000 1.009 134 T CB 1.099 69.974 68.868 0.012 0.000 1.241 134 T HN 0.772 nan 8.240 nan 0.000 0.542 135 Y N -0.128 120.265 120.300 0.155 0.000 2.546 135 Y HA 0.471 5.034 4.550 0.023 0.000 0.287 135 Y C 1.620 177.376 175.900 -0.240 0.000 1.158 135 Y CA -0.230 57.692 58.100 -0.297 0.000 1.307 135 Y CB 0.366 38.145 38.460 -1.134 0.000 1.036 135 Y HN 0.773 nan 8.280 nan 0.000 0.532 136 A N -0.271 122.735 122.820 0.310 0.000 3.317 136 A HA 0.256 4.589 4.320 0.023 0.000 0.307 136 A C -0.126 177.768 177.584 0.516 0.000 1.003 136 A CA -0.461 51.841 52.037 0.442 0.000 0.882 136 A CB -0.170 19.261 19.000 0.718 0.000 1.136 136 A HN 0.124 nan 8.150 nan 0.000 0.488 137 D N 0.423 121.019 120.400 0.327 0.000 2.323 137 D HA -0.010 4.644 4.640 0.023 0.000 0.209 137 D C 0.401 176.830 176.300 0.215 0.000 0.973 137 D CA 0.983 55.159 54.000 0.292 0.000 0.874 137 D CB 0.220 41.121 40.800 0.168 0.000 0.930 137 D HN 0.415 nan 8.370 nan 0.000 0.521 138 T N 3.755 118.376 114.554 0.111 0.000 2.793 138 T HA 0.110 4.474 4.350 0.023 0.000 0.289 138 T C -2.387 172.049 174.700 -0.439 0.000 0.956 138 T CA -0.986 61.063 62.100 -0.084 0.000 1.177 138 T CB 0.957 69.780 68.868 -0.074 0.000 0.897 138 T HN -0.028 nan 8.240 nan 0.000 0.533 139 P HA 0.100 nan 4.420 nan 0.000 0.265 139 P C 0.213 176.877 177.300 -1.061 0.000 1.193 139 P CA 0.198 62.827 63.100 -0.785 0.000 0.765 139 P CB 0.259 31.798 31.700 -0.268 0.000 0.823 140 D N -0.101 119.287 120.400 -1.688 0.000 2.945 140 D HA -0.187 4.466 4.640 0.023 0.000 0.225 140 D C -0.103 175.382 176.300 -1.360 0.000 1.158 140 D CA 1.076 54.285 54.000 -1.319 0.000 0.805 140 D CB -1.706 38.859 40.800 -0.391 0.000 1.098 140 D HN 0.469 nan 8.370 nan 0.000 0.426 141 D N -0.552 118.821 120.400 -1.711 0.000 2.713 141 D HA 0.129 4.783 4.640 0.023 0.000 0.229 141 D C 1.086 177.226 176.300 -0.267 0.000 1.136 141 D CA -0.346 53.252 54.000 -0.671 0.000 1.010 141 D CB -0.731 39.849 40.800 -0.367 0.000 1.084 141 D HN 0.118 nan 8.370 nan 0.000 0.495 142 F N 0.184 120.184 119.950 0.083 0.000 2.250 142 F HA -0.136 4.405 4.527 0.023 0.000 0.301 142 F C 2.388 178.343 175.800 0.258 0.000 1.077 142 F CA 0.686 58.860 58.000 0.290 0.000 1.348 142 F CB -0.103 38.995 39.000 0.163 0.000 1.040 142 F HN 0.272 nan 8.300 nan 0.000 0.509 143 Q N -0.009 119.986 119.800 0.325 0.000 2.435 143 Q HA 0.041 4.394 4.340 0.023 0.000 0.207 143 Q C 1.216 177.378 176.000 0.271 0.000 0.956 143 Q CA 0.450 56.411 55.803 0.263 0.000 0.917 143 Q CB 0.008 28.868 28.738 0.203 0.000 0.997 143 Q HN 0.536 nan 8.270 nan 0.000 0.497 144 L N 0.213 121.626 121.223 0.317 0.000 3.898 144 L HA -0.302 4.051 4.340 0.023 0.000 0.407 144 L C 1.109 178.153 176.870 0.290 0.000 1.207 144 L CA 0.311 55.364 54.840 0.357 0.000 0.931 144 L CB -1.777 40.498 42.059 0.360 0.000 2.014 144 L HN 0.316 nan 8.230 nan 0.000 0.858 145 H N 0.872 120.042 119.070 0.167 0.000 2.387 145 H HA -0.046 4.524 4.556 0.023 0.000 0.299 145 H C 1.694 177.106 175.328 0.139 0.000 1.090 145 H CA 2.301 58.425 56.048 0.125 0.000 1.332 145 H CB 0.235 30.045 29.762 0.079 0.000 1.386 145 H HN 0.466 nan 8.280 nan 0.000 0.516 146 N N 0.054 118.857 118.700 0.172 0.000 2.313 146 N HA -0.061 4.692 4.740 0.023 0.000 0.207 146 N C -0.569 175.038 175.510 0.163 0.000 1.141 146 N CA -0.135 52.985 53.050 0.117 0.000 0.830 146 N CB -0.015 38.548 38.487 0.126 0.000 1.008 146 N HN 0.212 nan 8.380 nan 0.000 0.481 147 F N 2.962 122.959 119.950 0.078 0.000 2.590 147 F HA -0.058 4.482 4.527 0.023 0.000 0.389 147 F C 0.675 176.484 175.800 0.015 0.000 1.049 147 F CA 0.051 58.093 58.000 0.070 0.000 1.199 147 F CB 0.330 39.341 39.000 0.018 0.000 1.058 147 F HN -0.068 nan 8.300 nan 0.000 0.556 148 S N 5.943 121.473 115.700 -0.284 0.000 2.565 148 S HA 0.596 5.079 4.470 0.023 0.000 0.269 148 S C -1.258 173.191 174.600 -0.253 0.000 1.153 148 S CA -1.264 56.843 58.200 -0.155 0.000 0.835 148 S CB 1.096 64.282 63.200 -0.022 0.000 1.122 148 S HN 0.633 nan 8.310 nan 0.000 0.462 149 L N 2.539 123.666 121.223 -0.160 0.000 2.319 149 L HA 0.494 4.847 4.340 0.023 0.000 0.280 149 L C -1.840 175.012 176.870 -0.029 0.000 1.099 149 L CA -1.596 53.179 54.840 -0.108 0.000 0.828 149 L CB 0.278 42.256 42.059 -0.135 0.000 1.150 149 L HN 0.572 nan 8.230 nan 0.000 0.442 150 P HA 0.153 nan 4.420 nan 0.000 0.278 150 P C 0.177 177.411 177.300 -0.109 0.000 1.266 150 P CA -0.553 62.479 63.100 -0.113 0.000 0.807 150 P CB 0.953 32.463 31.700 -0.316 0.000 1.094 151 E N 0.009 120.135 120.200 -0.123 0.000 2.171 151 E HA -0.251 4.113 4.350 0.023 0.000 0.197 151 E C 1.600 178.152 176.600 -0.079 0.000 0.997 151 E CA 1.574 57.920 56.400 -0.090 0.000 0.810 151 E CB -0.097 29.554 29.700 -0.082 0.000 0.738 151 E HN 0.517 nan 8.360 nan 0.000 0.467 152 E N 0.771 120.906 120.200 -0.108 0.000 2.114 152 E HA -0.226 4.137 4.350 0.023 0.000 0.199 152 E C 1.533 178.157 176.600 0.040 0.000 1.008 152 E CA 2.024 58.402 56.400 -0.037 0.000 0.810 152 E CB -0.060 29.609 29.700 -0.052 0.000 0.739 152 E HN 0.332 nan 8.360 nan 0.000 0.456 153 D N -1.392 119.041 120.400 0.056 0.000 2.110 153 D HA -0.094 4.560 4.640 0.023 0.000 0.202 153 D C 2.036 178.246 176.300 -0.150 0.000 0.975 153 D CA 1.875 55.895 54.000 0.034 0.000 0.839 153 D CB -0.199 40.662 40.800 0.102 0.000 0.996 153 D HN 0.279 nan 8.370 nan 0.000 0.464 154 T N -1.654 112.798 114.554 -0.169 0.000 2.985 154 T HA 0.038 4.402 4.350 0.023 0.000 0.266 154 T C 1.636 176.268 174.700 -0.113 0.000 1.076 154 T CA 0.580 62.547 62.100 -0.221 0.000 1.135 154 T CB 0.135 68.926 68.868 -0.129 0.000 0.890 154 T HN -0.110 nan 8.240 nan 0.000 0.480 155 K N 0.213 120.572 120.400 -0.068 0.000 2.350 155 K HA 0.427 4.761 4.320 0.023 0.000 0.196 155 K C 1.935 178.522 176.600 -0.022 0.000 1.084 155 K CA 0.218 56.485 56.287 -0.035 0.000 0.967 155 K CB 0.191 32.674 32.500 -0.028 0.000 0.950 155 K HN 0.371 nan 8.250 nan 0.000 0.512 156 L N 0.227 121.438 121.223 -0.019 0.000 2.471 156 L HA 0.090 4.444 4.340 0.023 0.000 0.186 156 L C 2.182 179.057 176.870 0.008 0.000 1.191 156 L CA 0.434 55.275 54.840 0.001 0.000 0.835 156 L CB -0.347 41.721 42.059 0.014 0.000 1.092 156 L HN -0.107 nan 8.230 nan 0.000 0.495 157 K N 0.648 121.066 120.400 0.030 0.000 2.002 157 K HA -0.089 4.244 4.320 0.023 0.000 0.209 157 K C 2.023 178.629 176.600 0.010 0.000 1.048 157 K CA 1.509 57.834 56.287 0.065 0.000 0.930 157 K CB -0.210 32.394 32.500 0.173 0.000 0.714 157 K HN 0.143 nan 8.250 nan 0.000 0.438 158 I N 0.916 121.442 120.570 -0.073 0.000 2.142 158 I HA -0.211 3.972 4.170 0.023 0.000 0.240 158 I C -0.955 175.050 176.117 -0.187 0.000 1.078 158 I CA 1.230 62.397 61.300 -0.222 0.000 1.343 158 I CB -1.047 36.689 38.000 -0.440 0.000 1.046 158 I HN 0.092 nan 8.210 nan 0.000 0.405 159 P HA -0.150 nan 4.420 nan 0.000 0.216 159 P C 1.966 179.274 177.300 0.014 0.000 1.150 159 P CA 1.414 64.544 63.100 0.050 0.000 0.837 159 P CB 0.004 31.728 31.700 0.041 0.000 0.786 160 L N -1.441 119.770 121.223 -0.020 0.000 2.083 160 L HA -0.159 4.194 4.340 0.023 0.000 0.209 160 L C 2.362 179.178 176.870 -0.090 0.000 1.083 160 L CA 1.343 56.165 54.840 -0.030 0.000 0.752 160 L CB -0.692 41.364 42.059 -0.005 0.000 0.899 160 L HN -0.048 nan 8.230 nan 0.000 0.433 161 I N -1.026 119.471 120.570 -0.121 0.000 2.163 161 I HA -0.316 3.868 4.170 0.023 0.000 0.240 161 I C 2.395 178.396 176.117 -0.194 0.000 1.081 161 I CA 1.362 62.550 61.300 -0.187 0.000 1.353 161 I CB -0.578 37.327 38.000 -0.159 0.000 1.054 161 I HN 0.237 nan 8.210 nan 0.000 0.407 162 H N 0.629 119.653 119.070 -0.075 0.000 2.265 162 H HA -0.219 4.351 4.556 0.023 0.000 0.293 162 H C 2.528 177.802 175.328 -0.089 0.000 1.089 162 H CA 1.891 57.897 56.048 -0.070 0.000 1.244 162 H CB -0.156 29.581 29.762 -0.043 0.000 1.355 162 H HN 0.189 nan 8.280 nan 0.000 0.485 163 R N 0.258 120.780 120.500 0.038 0.000 2.105 163 R HA -0.137 4.216 4.340 0.023 0.000 0.239 163 R C 2.618 178.862 176.300 -0.093 0.000 1.135 163 R CA 0.963 57.055 56.100 -0.012 0.000 0.967 163 R CB -0.259 30.039 30.300 -0.003 0.000 0.861 163 R HN 0.334 nan 8.270 nan 0.000 0.442 164 A N 1.166 123.840 122.820 -0.244 0.000 1.902 164 A HA -0.117 4.217 4.320 0.023 0.000 0.217 164 A C 2.149 179.499 177.584 -0.389 0.000 1.181 164 A CA 1.158 52.843 52.037 -0.587 0.000 0.623 164 A CB -0.481 17.791 19.000 -1.213 0.000 0.818 164 A HN 0.166 nan 8.150 nan 0.000 0.443 165 L N -1.196 119.889 121.223 -0.230 0.000 2.072 165 L HA -0.189 4.165 4.340 0.023 0.000 0.205 165 L C 2.819 179.670 176.870 -0.031 0.000 1.079 165 L CA 1.624 56.404 54.840 -0.099 0.000 0.752 165 L CB -0.761 41.266 42.059 -0.054 0.000 0.906 165 L HN 0.457 nan 8.230 nan 0.000 0.436 166 Q N 1.073 120.862 119.800 -0.019 0.000 2.077 166 Q HA -0.214 4.139 4.340 0.023 0.000 0.206 166 Q C 2.136 178.146 176.000 0.018 0.000 0.989 166 Q CA 1.949 57.755 55.803 0.004 0.000 0.853 166 Q CB -0.429 28.313 28.738 0.007 0.000 0.907 166 Q HN 0.459 nan 8.270 nan 0.000 0.418 167 L N -0.232 121.005 121.223 0.022 0.000 2.217 167 L HA 0.112 4.465 4.340 0.023 0.000 0.211 167 L C 0.681 177.612 176.870 0.101 0.000 1.107 167 L CA 0.251 55.133 54.840 0.068 0.000 0.783 167 L CB -0.381 41.741 42.059 0.106 0.000 0.919 167 L HN 0.147 nan 8.230 nan 0.000 0.442 168 A N -0.580 122.300 122.820 0.100 0.000 2.362 168 A HA 0.144 4.477 4.320 0.023 0.000 0.276 168 A C 0.856 178.489 177.584 0.082 0.000 1.153 168 A CA -0.385 51.733 52.037 0.135 0.000 0.813 168 A CB 0.728 19.829 19.000 0.168 0.000 1.081 168 A HN 0.129 nan 8.150 nan 0.000 0.507 169 Q N 1.279 121.125 119.800 0.076 0.000 2.137 169 Q HA -0.004 4.350 4.340 0.023 0.000 0.198 169 Q C 0.517 176.547 176.000 0.050 0.000 0.960 169 Q CA 1.097 56.932 55.803 0.055 0.000 0.847 169 Q CB -0.021 28.746 28.738 0.048 0.000 0.915 169 Q HN 0.794 nan 8.270 nan 0.000 0.448 170 R N 1.381 121.915 120.500 0.056 0.000 2.643 170 R HA 0.139 4.492 4.340 0.023 0.000 0.270 170 R C -2.150 174.177 176.300 0.044 0.000 1.061 170 R CA -1.428 54.700 56.100 0.046 0.000 1.107 170 R CB -0.273 30.056 30.300 0.049 0.000 0.999 170 R HN 0.002 nan 8.270 nan 0.000 0.460 171 P HA -0.007 nan 4.420 nan 0.000 0.267 171 P C -0.902 176.402 177.300 0.007 0.000 1.205 171 P CA 0.028 63.134 63.100 0.010 0.000 0.765 171 P CB 0.581 32.277 31.700 -0.006 0.000 0.828 172 V N 3.279 123.198 119.914 0.009 0.000 2.427 172 V HA 0.253 4.387 4.120 0.023 0.000 0.286 172 V C 0.414 176.495 176.094 -0.022 0.000 1.034 172 V CA -0.276 62.034 62.300 0.017 0.000 0.893 172 V CB 1.541 33.386 31.823 0.036 0.000 0.982 172 V HN 0.449 nan 8.190 nan 0.000 0.452 173 S N 5.847 121.518 115.700 -0.047 0.000 2.438 173 S HA 0.597 5.080 4.470 0.023 0.000 0.293 173 S C -0.278 174.382 174.600 0.100 0.000 1.141 173 S CA -0.476 57.709 58.200 -0.025 0.000 1.080 173 S CB 0.515 63.527 63.200 -0.313 0.000 0.978 173 S HN 0.495 nan 8.310 nan 0.000 0.479 174 L N 3.916 125.193 121.223 0.091 0.000 2.292 174 L HA 0.542 4.896 4.340 0.023 0.000 0.284 174 L C -0.487 176.622 176.870 0.398 0.000 1.065 174 L CA -0.779 54.094 54.840 0.054 0.000 0.806 174 L CB 0.686 42.414 42.059 -0.551 0.000 1.175 174 L HN 0.414 nan 8.230 nan 0.000 0.431 175 L N 3.619 125.119 121.223 0.462 0.000 2.356 175 L HA 0.805 5.159 4.340 0.023 0.000 0.277 175 L C -0.439 176.661 176.870 0.384 0.000 0.996 175 L CA -0.179 54.904 54.840 0.405 0.000 0.822 175 L CB 1.604 43.858 42.059 0.327 0.000 1.256 175 L HN 0.652 nan 8.230 nan 0.000 0.413 176 A N 3.361 126.305 122.820 0.207 0.000 2.318 176 A HA 0.882 5.216 4.320 0.023 0.000 0.324 176 A C -0.804 176.746 177.584 -0.056 0.000 1.170 176 A CA -0.432 51.596 52.037 -0.013 0.000 0.810 176 A CB 0.982 19.713 19.000 -0.448 0.000 1.198 176 A HN 0.714 nan 8.150 nan 0.000 0.484 177 S N 3.644 119.352 115.700 0.014 0.000 2.538 177 S HA 0.765 5.248 4.470 0.023 0.000 0.288 177 S C -3.011 171.642 174.600 0.089 0.000 1.108 177 S CA -1.120 57.089 58.200 0.014 0.000 0.971 177 S CB 2.127 65.332 63.200 0.009 0.000 1.041 177 S HN 0.663 nan 8.310 nan 0.000 0.483 178 P HA 0.333 nan 4.420 nan 0.000 0.287 178 P C -0.077 177.364 177.300 0.236 0.000 1.270 178 P CA -0.725 62.452 63.100 0.129 0.000 0.844 178 P CB 1.394 33.083 31.700 -0.019 0.000 1.068 179 W N 0.067 121.365 121.300 -0.003 0.000 2.846 179 W HA 0.072 4.746 4.660 0.022 0.000 0.273 179 W C 0.652 177.145 176.519 -0.044 0.000 1.081 179 W CA 0.580 57.939 57.345 0.025 0.000 1.692 179 W CB 0.232 29.736 29.460 0.074 0.000 1.106 179 W HN 0.224 nan 8.180 nan 0.000 0.577 180 T N 0.576 115.201 114.554 0.118 0.000 2.893 180 T HA 0.323 4.686 4.350 0.023 0.000 0.291 180 T C -0.020 174.451 174.700 -0.383 0.000 1.028 180 T CA -0.373 61.636 62.100 -0.152 0.000 0.995 180 T CB 1.484 70.274 68.868 -0.130 0.000 1.051 180 T HN -0.018 nan 8.240 nan 0.000 0.470 181 S N 4.422 119.604 115.700 -0.863 0.000 2.614 181 S HA 0.527 5.011 4.470 0.023 0.000 0.265 181 S C -2.598 171.583 174.600 -0.698 0.000 1.303 181 S CA -1.021 56.395 58.200 -1.306 0.000 1.000 181 S CB 0.047 62.081 63.200 -1.945 0.000 0.935 181 S HN 0.536 nan 8.310 nan 0.000 0.551 182 P HA -0.022 nan 4.420 nan 0.000 0.265 182 P C 1.106 178.015 177.300 -0.652 0.000 1.167 182 P CA 0.494 63.245 63.100 -0.581 0.000 0.760 182 P CB 0.196 31.314 31.700 -0.970 0.000 0.783 183 T N -1.066 113.284 114.554 -0.340 0.000 3.023 183 T HA -0.094 4.269 4.350 0.023 0.000 0.266 183 T C 1.237 175.851 174.700 -0.143 0.000 1.093 183 T CA 0.432 62.406 62.100 -0.210 0.000 1.129 183 T CB -0.589 68.244 68.868 -0.057 0.000 0.899 183 T HN 0.570 nan 8.240 nan 0.000 0.491 184 W N 1.082 122.338 121.300 -0.075 0.000 3.047 184 W HA 0.356 5.030 4.660 0.023 0.000 0.250 184 W C 0.774 177.314 176.519 0.034 0.000 1.314 184 W CA -0.476 56.853 57.345 -0.026 0.000 1.540 184 W CB -0.828 28.607 29.460 -0.042 0.000 1.127 184 W HN 0.244 nan 8.180 nan 0.000 0.679 185 L N 0.898 121.853 121.223 -0.447 0.000 2.558 185 L HA 0.168 4.521 4.340 0.023 0.000 0.225 185 L C 0.672 177.338 176.870 -0.340 0.000 1.128 185 L CA 0.761 55.421 54.840 -0.300 0.000 0.868 185 L CB -0.309 41.399 42.059 -0.586 0.000 1.006 185 L HN -0.260 nan 8.230 nan 0.000 0.454 186 K N -0.431 119.774 120.400 -0.324 0.000 2.182 186 K HA 0.214 4.547 4.320 0.023 0.000 0.262 186 K C 1.217 177.673 176.600 -0.241 0.000 0.957 186 K CA -0.044 56.043 56.287 -0.333 0.000 0.842 186 K CB 1.872 34.176 32.500 -0.327 0.000 1.099 186 K HN -0.051 nan 8.250 nan 0.000 0.438 187 T N -0.890 113.515 114.554 -0.247 0.000 2.685 187 T HA -0.233 4.131 4.350 0.023 0.000 0.268 187 T C 1.323 175.946 174.700 -0.128 0.000 1.034 187 T CA 1.870 63.860 62.100 -0.183 0.000 1.149 187 T CB -0.289 68.478 68.868 -0.169 0.000 0.860 187 T HN 0.689 nan 8.240 nan 0.000 0.449 188 N N 1.814 120.436 118.700 -0.129 0.000 2.412 188 N HA 0.157 4.911 4.740 0.023 0.000 0.184 188 N C 1.542 177.010 175.510 -0.069 0.000 1.101 188 N CA 0.761 53.757 53.050 -0.090 0.000 0.881 188 N CB -0.635 37.798 38.487 -0.090 0.000 0.969 188 N HN 0.752 nan 8.380 nan 0.000 0.459 189 G N -0.505 108.247 108.800 -0.079 0.000 2.198 189 G HA2 -0.011 3.962 3.960 0.023 0.000 0.260 189 G HA3 -0.011 3.962 3.960 0.023 0.000 0.260 189 G C -0.017 174.857 174.900 -0.042 0.000 1.025 189 G CA 0.438 45.513 45.100 -0.043 0.000 0.769 189 G HN 0.921 nan 8.290 nan 0.000 0.507 190 A N -1.721 121.056 122.820 -0.072 0.000 2.594 190 A HA 0.884 5.217 4.320 0.023 0.000 0.295 190 A C 1.150 178.691 177.584 -0.071 0.000 1.071 190 A CA 0.328 52.336 52.037 -0.050 0.000 0.685 190 A CB 0.956 19.943 19.000 -0.022 0.000 1.285 190 A HN 1.553 nan 8.150 nan 0.000 0.405 191 V N -0.722 119.163 119.914 -0.049 0.000 2.626 191 V HA 0.028 4.162 4.120 0.023 0.000 0.252 191 V C 0.641 176.750 176.094 0.025 0.000 1.067 191 V CA 1.982 64.251 62.300 -0.051 0.000 1.081 191 V CB -1.513 30.268 31.823 -0.070 0.000 0.686 191 V HN 0.973 nan 8.190 nan 0.000 0.468 192 N N 0.108 118.849 118.700 0.069 0.000 3.100 192 N HA 0.695 5.449 4.740 0.023 0.000 0.344 192 N C 0.371 175.908 175.510 0.045 0.000 1.413 192 N CA 0.152 53.272 53.050 0.116 0.000 0.752 192 N CB 0.710 39.316 38.487 0.200 0.000 1.519 192 N HN 0.926 nan 8.380 nan 0.000 0.620 193 G N -0.618 108.219 108.800 0.061 0.000 2.725 193 G HA2 -0.176 3.798 3.960 0.023 0.000 0.220 193 G HA3 -0.176 3.798 3.960 0.023 0.000 0.220 193 G C -1.026 173.861 174.900 -0.021 0.000 1.357 193 G CA -0.148 44.961 45.100 0.016 0.000 0.866 193 G HN 0.889 nan 8.290 nan 0.000 0.548 194 K N 0.435 120.808 120.400 -0.045 0.000 2.276 194 K HA 0.587 4.921 4.320 0.023 0.000 0.285 194 K C 0.313 176.846 176.600 -0.111 0.000 1.062 194 K CA 0.238 56.477 56.287 -0.081 0.000 0.918 194 K CB 0.311 32.772 32.500 -0.065 0.000 1.055 194 K HN 1.922 nan 8.250 nan 0.000 0.477 195 G N 1.978 110.683 108.800 -0.159 0.000 2.503 195 G HA2 0.224 4.198 3.960 0.023 0.000 0.305 195 G HA3 0.224 4.198 3.960 0.023 0.000 0.305 195 G C -1.320 173.403 174.900 -0.295 0.000 1.575 195 G CA -0.664 44.317 45.100 -0.199 0.000 0.890 195 G HN 0.649 nan 8.290 nan 0.000 0.612 196 S N 1.009 116.515 115.700 -0.324 0.000 2.759 196 S HA 0.812 5.296 4.470 0.023 0.000 0.310 196 S C 0.246 174.555 174.600 -0.484 0.000 1.123 196 S CA -0.992 56.918 58.200 -0.483 0.000 0.959 196 S CB 1.227 64.198 63.200 -0.380 0.000 1.172 196 S HN 0.740 nan 8.310 nan 0.000 0.539 197 L N 1.481 122.329 121.223 -0.625 0.000 2.514 197 L HA 0.152 4.506 4.340 0.023 0.000 0.280 197 L C 0.802 177.468 176.870 -0.340 0.000 1.223 197 L CA 0.025 54.527 54.840 -0.564 0.000 0.864 197 L CB 0.149 41.731 42.059 -0.796 0.000 1.118 197 L HN 0.657 nan 8.230 nan 0.000 0.494 198 K N 1.983 122.123 120.400 -0.434 0.000 2.276 198 K HA 0.365 4.699 4.320 0.023 0.000 0.259 198 K C 0.773 177.235 176.600 -0.230 0.000 1.001 198 K CA 0.402 56.369 56.287 -0.534 0.000 0.927 198 K CB 0.516 32.276 32.500 -1.234 0.000 0.969 198 K HN 0.833 nan 8.250 nan 0.000 0.490 199 G N 0.774 109.502 108.800 -0.121 0.000 2.527 199 G HA2 -0.237 3.737 3.960 0.023 0.000 0.268 199 G HA3 -0.237 3.737 3.960 0.023 0.000 0.268 199 G C -0.998 173.975 174.900 0.121 0.000 1.175 199 G CA -0.336 44.819 45.100 0.093 0.000 0.962 199 G HN 0.478 nan 8.290 nan 0.000 0.560 200 Q N 0.391 120.236 119.800 0.074 0.000 2.345 200 Q HA 0.536 4.889 4.340 0.023 0.000 0.275 200 Q C -2.653 173.002 176.000 -0.575 0.000 1.063 200 Q CA -1.614 54.064 55.803 -0.209 0.000 0.819 200 Q CB 1.960 30.634 28.738 -0.107 0.000 1.356 200 Q HN 0.372 nan 8.270 nan 0.000 0.418 201 P HA 0.025 nan 4.420 nan 0.000 0.264 201 P C 0.748 177.932 177.300 -0.193 0.000 1.179 201 P CA 1.630 64.370 63.100 -0.600 0.000 0.763 201 P CB 0.414 32.002 31.700 -0.186 0.000 0.806 202 G N 1.486 110.281 108.800 -0.008 0.000 2.234 202 G HA2 -0.194 3.779 3.960 0.023 0.000 0.235 202 G HA3 -0.194 3.779 3.960 0.023 0.000 0.235 202 G C 0.139 175.089 174.900 0.083 0.000 0.997 202 G CA 0.352 45.475 45.100 0.038 0.000 0.623 202 G HN 0.718 nan 8.290 nan 0.000 0.514 203 D N -0.027 120.448 120.400 0.125 0.000 2.529 203 D HA 0.493 5.146 4.640 0.023 0.000 0.273 203 D C 1.787 178.212 176.300 0.208 0.000 1.197 203 D CA -0.487 53.607 54.000 0.158 0.000 1.070 203 D CB 0.252 41.158 40.800 0.175 0.000 1.134 203 D HN 0.209 nan 8.370 nan 0.000 0.590 204 I N -0.587 120.027 120.570 0.075 0.000 2.264 204 I HA -0.315 3.868 4.170 0.023 0.000 0.248 204 I C 1.525 177.704 176.117 0.103 0.000 1.111 204 I CA 1.231 62.507 61.300 -0.040 0.000 1.382 204 I CB -0.074 37.697 38.000 -0.382 0.000 1.060 204 I HN 0.320 nan 8.210 nan 0.000 0.418 205 Y N 0.183 120.658 120.300 0.292 0.000 2.145 205 Y HA -0.291 4.273 4.550 0.023 0.000 0.286 205 Y C 2.578 178.640 175.900 0.270 0.000 1.145 205 Y CA 2.124 60.410 58.100 0.310 0.000 1.148 205 Y CB -0.958 37.613 38.460 0.185 0.000 0.981 205 Y HN 0.264 nan 8.280 nan 0.000 0.507 206 H N -0.887 118.440 119.070 0.429 0.000 2.326 206 H HA -0.129 4.440 4.556 0.023 0.000 0.301 206 H C 2.173 177.796 175.328 0.491 0.000 1.081 206 H CA 1.569 57.900 56.048 0.471 0.000 1.334 206 H CB -0.113 29.913 29.762 0.440 0.000 1.385 206 H HN 0.170 nan 8.280 nan 0.000 0.504 207 Q N -0.052 120.022 119.800 0.457 0.000 2.096 207 Q HA -0.114 4.239 4.340 0.023 0.000 0.204 207 Q C 2.292 178.504 176.000 0.354 0.000 0.982 207 Q CA 1.786 57.784 55.803 0.325 0.000 0.850 207 Q CB -0.650 28.216 28.738 0.214 0.000 0.901 207 Q HN 0.485 nan 8.270 nan 0.000 0.422 208 T N 0.416 115.215 114.554 0.408 0.000 2.788 208 T HA -0.146 4.218 4.350 0.023 0.000 0.268 208 T C 1.229 176.238 174.700 0.513 0.000 1.044 208 T CA 0.882 63.255 62.100 0.456 0.000 1.139 208 T CB -0.340 68.863 68.868 0.558 0.000 0.867 208 T HN 0.512 nan 8.240 nan 0.000 0.454 209 W N 1.592 123.062 121.300 0.284 0.000 2.388 209 W HA -0.053 4.620 4.660 0.022 0.000 0.294 209 W C 2.425 179.255 176.519 0.518 0.000 1.212 209 W CA 0.755 58.265 57.345 0.274 0.000 1.271 209 W CB -0.150 29.358 29.460 0.079 0.000 1.126 209 W HN 0.281 nan 8.180 nan 0.000 0.535 210 A N 1.053 124.133 122.820 0.433 0.000 1.930 210 A HA -0.171 4.163 4.320 0.023 0.000 0.217 210 A C 1.962 179.645 177.584 0.166 0.000 1.175 210 A CA 1.372 53.508 52.037 0.166 0.000 0.627 210 A CB -0.849 18.166 19.000 0.025 0.000 0.815 210 A HN 0.312 nan 8.150 nan 0.000 0.443 211 R N -2.270 118.362 120.500 0.219 0.000 2.189 211 R HA -0.116 4.238 4.340 0.023 0.000 0.223 211 R C 1.972 178.367 176.300 0.158 0.000 1.092 211 R CA 1.390 57.589 56.100 0.165 0.000 0.989 211 R CB -0.372 30.033 30.300 0.176 0.000 0.876 211 R HN 0.781 nan 8.270 nan 0.000 0.457 212 Y N 0.080 120.446 120.300 0.109 0.000 2.242 212 Y HA -0.207 4.356 4.550 0.023 0.000 0.291 212 Y C 1.636 177.521 175.900 -0.025 0.000 1.137 212 Y CA 1.294 59.442 58.100 0.080 0.000 1.181 212 Y CB -0.117 38.469 38.460 0.210 0.000 0.989 212 Y HN -0.126 nan 8.280 nan 0.000 0.527 213 F N -0.482 119.469 119.950 0.001 0.000 2.095 213 F HA -0.286 4.255 4.527 0.023 0.000 0.298 213 F C 2.338 178.096 175.800 -0.070 0.000 1.104 213 F CA 1.807 59.766 58.000 -0.068 0.000 1.232 213 F CB -1.011 37.878 39.000 -0.185 0.000 0.987 213 F HN -0.101 nan 8.300 nan 0.000 0.475 214 V N -0.257 119.712 119.914 0.092 0.000 2.358 214 V HA -0.244 3.890 4.120 0.023 0.000 0.246 214 V C 2.425 178.425 176.094 -0.157 0.000 1.047 214 V CA 1.494 63.793 62.300 -0.001 0.000 1.035 214 V CB -0.539 31.310 31.823 0.043 0.000 0.658 214 V HN 0.196 nan 8.190 nan 0.000 0.452 215 K N -0.227 119.964 120.400 -0.348 0.000 2.057 215 K HA -0.171 4.163 4.320 0.023 0.000 0.207 215 K C 2.062 178.216 176.600 -0.743 0.000 1.049 215 K CA 1.647 57.470 56.287 -0.773 0.000 0.931 215 K CB -0.782 30.757 32.500 -1.602 0.000 0.714 215 K HN 0.509 nan 8.250 nan 0.000 0.440 216 F N 2.014 121.606 119.950 -0.597 0.000 2.095 216 F HA -0.188 4.352 4.527 0.022 0.000 0.298 216 F C 2.001 177.702 175.800 -0.166 0.000 1.104 216 F CA 1.314 59.204 58.000 -0.184 0.000 1.232 216 F CB -0.419 38.507 39.000 -0.123 0.000 0.987 216 F HN -0.113 nan 8.300 nan 0.000 0.475 217 L N 0.003 120.951 121.223 -0.460 0.000 2.017 217 L HA -0.233 4.120 4.340 0.023 0.000 0.208 217 L C 2.265 178.825 176.870 -0.517 0.000 1.073 217 L CA 1.570 56.023 54.840 -0.645 0.000 0.745 217 L CB -0.931 40.672 42.059 -0.761 0.000 0.894 217 L HN 0.082 nan 8.230 nan 0.000 0.432 218 D N 0.146 120.360 120.400 -0.310 0.000 2.149 218 D HA -0.185 4.469 4.640 0.023 0.000 0.198 218 D C 2.145 178.420 176.300 -0.042 0.000 0.990 218 D CA 1.622 55.612 54.000 -0.018 0.000 0.839 218 D CB -0.017 40.777 40.800 -0.010 0.000 0.948 218 D HN 0.365 nan 8.370 nan 0.000 0.460 219 A N -0.265 122.500 122.820 -0.091 0.000 1.898 219 A HA -0.120 4.214 4.320 0.023 0.000 0.214 219 A C 2.015 179.616 177.584 0.028 0.000 1.183 219 A CA 0.642 52.678 52.037 -0.001 0.000 0.622 219 A CB -0.908 18.142 19.000 0.082 0.000 0.824 219 A HN 0.143 nan 8.150 nan 0.000 0.444 220 Y N 0.386 120.551 120.300 -0.226 0.000 2.151 220 Y HA -0.242 4.322 4.550 0.023 0.000 0.284 220 Y C 2.945 178.857 175.900 0.020 0.000 1.166 220 Y CA 1.082 59.117 58.100 -0.108 0.000 1.163 220 Y CB -0.706 37.674 38.460 -0.133 0.000 0.974 220 Y HN 0.335 nan 8.280 nan 0.000 0.511 221 A N -0.018 122.868 122.820 0.110 0.000 1.940 221 A HA -0.262 4.071 4.320 0.023 0.000 0.219 221 A C 2.071 179.688 177.584 0.054 0.000 1.176 221 A CA 1.965 54.065 52.037 0.105 0.000 0.631 221 A CB -0.739 18.363 19.000 0.170 0.000 0.814 221 A HN 0.559 nan 8.150 nan 0.000 0.446 222 E N -0.921 119.283 120.200 0.007 0.000 2.209 222 E HA -0.180 4.183 4.350 0.023 0.000 0.196 222 E C 0.980 177.467 176.600 -0.188 0.000 0.993 222 E CA 1.098 57.440 56.400 -0.097 0.000 0.819 222 E CB -0.186 29.421 29.700 -0.156 0.000 0.745 222 E HN 0.729 nan 8.360 nan 0.000 0.477 223 H N 0.106 119.151 119.070 -0.042 0.000 2.537 223 H HA 0.168 4.738 4.556 0.023 0.000 0.295 223 H C -0.094 175.303 175.328 0.116 0.000 1.054 223 H CA 0.192 56.239 56.048 -0.001 0.000 1.156 223 H CB 0.217 29.916 29.762 -0.106 0.000 1.468 223 H HN 0.033 nan 8.280 nan 0.000 0.551 224 K N 0.634 121.116 120.400 0.137 0.000 3.035 224 K HA -0.178 4.155 4.320 0.023 0.000 0.262 224 K C -0.679 176.025 176.600 0.174 0.000 1.024 224 K CA 0.236 56.604 56.287 0.136 0.000 0.748 224 K CB -1.417 31.133 32.500 0.083 0.000 1.247 224 K HN 0.284 nan 8.250 nan 0.000 0.482 225 L N 0.513 121.813 121.223 0.128 0.000 2.329 225 L HA 0.367 4.721 4.340 0.023 0.000 0.279 225 L C 0.209 177.095 176.870 0.026 0.000 1.014 225 L CA -0.738 54.123 54.840 0.036 0.000 0.814 225 L CB 1.694 43.762 42.059 0.015 0.000 1.257 225 L HN 0.101 nan 8.230 nan 0.000 0.424 226 Q N 2.178 121.934 119.800 -0.074 0.000 2.337 226 Q HA 0.479 4.833 4.340 0.023 0.000 0.266 226 Q C -1.542 174.346 176.000 -0.187 0.000 1.023 226 Q CA -0.707 55.088 55.803 -0.014 0.000 0.829 226 Q CB 2.253 31.006 28.738 0.025 0.000 1.306 226 Q HN 0.372 nan 8.270 nan 0.000 0.449 227 F N 1.454 121.426 119.950 0.036 0.000 2.385 227 F HA 0.157 4.697 4.527 0.023 0.000 0.336 227 F C 0.866 176.725 175.800 0.098 0.000 1.100 227 F CA -0.471 57.565 58.000 0.060 0.000 1.116 227 F CB 0.632 39.640 39.000 0.013 0.000 1.166 227 F HN 0.728 nan 8.300 nan 0.000 0.511 228 W N 3.402 124.751 121.300 0.082 0.000 2.494 228 W HA 0.478 5.152 4.660 0.023 0.000 0.286 228 W C -0.243 176.289 176.519 0.022 0.000 1.218 228 W CA 0.894 58.250 57.345 0.018 0.000 1.313 228 W CB -0.016 29.426 29.460 -0.031 0.000 1.105 228 W HN 0.461 nan 8.180 nan 0.000 0.561 229 A N 0.183 122.765 122.820 -0.398 0.000 2.601 229 A HA 0.574 4.908 4.320 0.023 0.000 0.291 229 A C -1.307 176.111 177.584 -0.278 0.000 1.075 229 A CA -0.224 51.393 52.037 -0.700 0.000 0.671 229 A CB 0.693 18.707 19.000 -1.642 0.000 1.277 229 A HN 0.627 nan 8.150 nan 0.000 0.417 230 V N -1.365 118.396 119.914 -0.255 0.000 3.040 230 V HA 0.965 5.099 4.120 0.023 0.000 0.312 230 V C -0.051 175.979 176.094 -0.106 0.000 1.115 230 V CA 0.119 62.356 62.300 -0.105 0.000 0.998 230 V CB 1.435 33.276 31.823 0.030 0.000 1.042 230 V HN 1.850 nan 8.190 nan 0.000 0.433 231 T N 0.057 114.592 114.554 -0.031 0.000 2.944 231 T HA 0.755 5.118 4.350 0.023 0.000 0.284 231 T C 1.052 175.781 174.700 0.048 0.000 1.010 231 T CA -0.056 62.018 62.100 -0.042 0.000 1.025 231 T CB 1.670 70.500 68.868 -0.064 0.000 1.079 231 T HN 1.636 nan 8.240 nan 0.000 0.516 232 A N 0.295 123.101 122.820 -0.024 0.000 2.067 232 A HA 0.381 4.714 4.320 0.023 0.000 0.217 232 A C 0.788 178.451 177.584 0.132 0.000 1.156 232 A CA 1.040 53.075 52.037 -0.004 0.000 0.683 232 A CB -0.697 18.234 19.000 -0.115 0.000 0.808 232 A HN 0.980 nan 8.150 nan 0.000 0.455 233 E N -1.622 118.585 120.200 0.013 0.000 3.097 233 E HA 0.122 4.485 4.350 0.023 0.000 0.325 233 E C -1.416 175.048 176.600 -0.227 0.000 1.093 233 E CA -0.327 56.059 56.400 -0.024 0.000 0.893 233 E CB -0.257 29.423 29.700 -0.032 0.000 1.209 233 E HN 0.189 nan 8.360 nan 0.000 0.462 234 N N 3.158 121.621 118.700 -0.395 0.000 2.452 234 N HA 0.136 4.889 4.740 0.023 0.000 0.266 234 N C -0.724 174.447 175.510 -0.565 0.000 1.175 234 N CA 0.673 53.316 53.050 -0.679 0.000 0.945 234 N CB 0.359 37.919 38.487 -1.547 0.000 1.063 234 N HN 0.564 nan 8.380 nan 0.000 0.472 235 E N 1.678 121.545 120.200 -0.555 0.000 2.210 235 E HA -0.188 4.176 4.350 0.023 0.000 0.201 235 E C -1.686 174.692 176.600 -0.369 0.000 1.339 235 E CA 0.092 56.203 56.400 -0.482 0.000 0.699 235 E CB -0.659 28.815 29.700 -0.378 0.000 1.126 235 E HN 0.691 nan 8.360 nan 0.000 0.355 236 P HA -0.278 nan 4.420 nan 0.000 0.216 236 P C 1.570 178.836 177.300 -0.057 0.000 1.150 236 P CA 2.029 65.107 63.100 -0.036 0.000 0.843 236 P CB -0.018 31.769 31.700 0.145 0.000 0.787 237 S N -0.192 115.414 115.700 -0.157 0.000 2.447 237 S HA -0.047 4.436 4.470 0.023 0.000 0.233 237 S C 2.187 176.651 174.600 -0.227 0.000 1.006 237 S CA 0.976 59.117 58.200 -0.098 0.000 0.957 237 S CB -1.232 61.890 63.200 -0.130 0.000 0.773 237 S HN 0.154 nan 8.310 nan 0.000 0.507 238 A N 1.864 124.439 122.820 -0.409 0.000 1.908 238 A HA 0.176 4.510 4.320 0.023 0.000 0.218 238 A C 2.293 179.475 177.584 -0.669 0.000 1.181 238 A CA 1.452 53.022 52.037 -0.777 0.000 0.627 238 A CB -1.638 16.632 19.000 -1.216 0.000 0.818 238 A HN 0.719 nan 8.150 nan 0.000 0.445 239 G N -1.058 107.481 108.800 -0.436 0.000 2.956 239 G HA2 0.242 4.215 3.960 0.023 0.000 0.207 239 G HA3 0.242 4.215 3.960 0.023 0.000 0.207 239 G C 0.979 175.755 174.900 -0.207 0.000 1.162 239 G CA 0.325 45.243 45.100 -0.302 0.000 0.796 239 G HN 0.439 nan 8.290 nan 0.000 0.527 240 L N -0.202 120.918 121.223 -0.171 0.000 2.640 240 L HA 0.408 4.762 4.340 0.023 0.000 0.230 240 L C 0.150 176.970 176.870 -0.084 0.000 1.123 240 L CA 0.012 54.791 54.840 -0.102 0.000 0.900 240 L CB 0.234 42.264 42.059 -0.049 0.000 1.146 240 L HN 0.063 nan 8.230 nan 0.000 0.484 241 L N 0.449 121.614 121.223 -0.097 0.000 2.305 241 L HA 0.344 4.697 4.340 0.023 0.000 0.284 241 L C 0.507 177.370 176.870 -0.012 0.000 1.013 241 L CA -0.473 54.341 54.840 -0.043 0.000 0.819 241 L CB 1.835 43.886 42.059 -0.014 0.000 1.227 241 L HN 0.079 nan 8.230 nan 0.000 0.417 242 S N 1.126 116.814 115.700 -0.020 0.000 2.572 242 S HA 0.415 4.898 4.470 0.023 0.000 0.279 242 S C 1.190 175.781 174.600 -0.015 0.000 1.341 242 S CA 0.109 58.297 58.200 -0.020 0.000 1.043 242 S CB 1.318 64.501 63.200 -0.029 0.000 0.887 242 S HN 1.057 nan 8.310 nan 0.000 0.516 243 G N 0.465 109.253 108.800 -0.021 0.000 2.168 243 G HA2 -0.327 3.647 3.960 0.023 0.000 0.263 243 G HA3 -0.327 3.647 3.960 0.023 0.000 0.263 243 G C -0.112 174.742 174.900 -0.078 0.000 0.977 243 G CA 0.435 45.508 45.100 -0.046 0.000 0.659 243 G HN 1.102 nan 8.290 nan 0.000 0.533 244 Y N 2.146 122.354 120.300 -0.153 0.000 2.729 244 Y HA 0.277 4.840 4.550 0.022 0.000 0.331 244 Y C -0.230 175.521 175.900 -0.249 0.000 1.208 244 Y CA -0.530 57.429 58.100 -0.235 0.000 1.521 244 Y CB 0.982 39.289 38.460 -0.255 0.000 1.233 244 Y HN 0.099 nan 8.280 nan 0.000 0.539 245 P HA -0.063 nan 4.420 nan 0.000 0.227 245 P C -0.561 176.605 177.300 -0.224 0.000 1.161 245 P CA 1.012 63.838 63.100 -0.456 0.000 0.788 245 P CB 0.005 31.428 31.700 -0.461 0.000 0.822 246 F N -2.127 117.750 119.950 -0.122 0.000 2.746 246 F HA 0.686 5.227 4.527 0.023 0.000 0.378 246 F C 0.007 176.059 175.800 0.420 0.000 1.165 246 F CA -2.125 56.002 58.000 0.212 0.000 1.089 246 F CB -0.610 38.470 39.000 0.133 0.000 1.439 246 F HN -0.476 nan 8.300 nan 0.000 0.516 247 Q N 0.877 121.127 119.800 0.750 0.000 2.269 247 Q HA 0.377 4.730 4.340 0.023 0.000 0.300 247 Q C -0.512 175.767 176.000 0.466 0.000 1.070 247 Q CA 0.546 56.636 55.803 0.478 0.000 0.957 247 Q CB 0.124 29.070 28.738 0.347 0.000 1.131 247 Q HN 0.835 nan 8.270 nan 0.000 0.377 248 C N 0.750 120.155 119.300 0.175 0.000 3.307 248 C HA 0.828 5.302 4.460 0.023 0.000 0.333 248 C C -1.679 173.231 174.990 -0.133 0.000 1.291 248 C CA -1.297 57.711 59.018 -0.018 0.000 1.273 248 C CB 0.687 28.309 27.740 -0.197 0.000 1.580 248 C HN 0.797 nan 8.230 nan 0.000 0.481 249 L N 2.199 123.305 121.223 -0.194 0.000 2.491 249 L HA 0.767 5.121 4.340 0.023 0.000 0.267 249 L C 0.179 176.864 176.870 -0.309 0.000 0.971 249 L CA 0.229 54.877 54.840 -0.319 0.000 0.857 249 L CB 1.373 43.221 42.059 -0.352 0.000 1.226 249 L HN 1.330 nan 8.230 nan 0.000 0.408 250 G N 3.737 112.287 108.800 -0.417 0.000 2.370 250 G HA2 0.505 4.479 3.960 0.023 0.000 0.272 250 G HA3 0.505 4.479 3.960 0.023 0.000 0.272 250 G C -1.210 173.380 174.900 -0.516 0.000 1.208 250 G CA -0.085 44.821 45.100 -0.323 0.000 0.856 250 G HN 0.399 nan 8.290 nan 0.000 0.500 251 F N 0.705 120.605 119.950 -0.082 0.000 2.547 251 F HA 0.387 4.927 4.527 0.023 0.000 0.316 251 F C 0.937 176.823 175.800 0.144 0.000 1.121 251 F CA -0.820 57.170 58.000 -0.017 0.000 0.911 251 F CB 2.295 41.305 39.000 0.017 0.000 1.179 251 F HN 0.593 nan 8.300 nan 0.000 0.443 252 T N 0.106 114.797 114.554 0.229 0.000 2.860 252 T HA 0.196 4.559 4.350 0.023 0.000 0.299 252 T C -1.879 172.638 174.700 -0.305 0.000 1.045 252 T CA -1.607 60.515 62.100 0.037 0.000 1.071 252 T CB 1.157 70.030 68.868 0.008 0.000 0.985 252 T HN 0.310 nan 8.240 nan 0.000 0.537 253 P HA -0.134 nan 4.420 nan 0.000 0.216 253 P C 1.080 178.055 177.300 -0.542 0.000 1.150 253 P CA 1.230 63.492 63.100 -1.397 0.000 0.843 253 P CB 0.091 30.929 31.700 -1.438 0.000 0.787 254 E N -1.556 118.467 120.200 -0.295 0.000 2.072 254 E HA -0.185 4.178 4.350 0.023 0.000 0.191 254 E C 2.205 178.827 176.600 0.037 0.000 0.985 254 E CA 1.036 57.365 56.400 -0.119 0.000 0.801 254 E CB -1.067 28.582 29.700 -0.086 0.000 0.750 254 E HN 0.494 nan 8.360 nan 0.000 0.452 255 H N -0.063 119.016 119.070 0.014 0.000 2.357 255 H HA -0.108 4.461 4.556 0.023 0.000 0.301 255 H C 2.262 177.782 175.328 0.321 0.000 1.082 255 H CA 1.400 57.562 56.048 0.191 0.000 1.342 255 H CB 0.277 30.180 29.762 0.235 0.000 1.389 255 H HN 0.130 nan 8.280 nan 0.000 0.511 256 Q N 0.721 120.724 119.800 0.338 0.000 2.061 256 Q HA -0.222 4.131 4.340 0.023 0.000 0.204 256 Q C 2.571 178.622 176.000 0.086 0.000 0.984 256 Q CA 1.737 57.594 55.803 0.089 0.000 0.846 256 Q CB -0.094 28.651 28.738 0.010 0.000 0.902 256 Q HN 0.353 nan 8.270 nan 0.000 0.421 257 R N 0.004 120.506 120.500 0.003 0.000 2.094 257 R HA -0.200 4.154 4.340 0.023 0.000 0.239 257 R C 1.432 177.758 176.300 0.043 0.000 1.137 257 R CA 2.136 58.225 56.100 -0.019 0.000 0.943 257 R CB -0.278 29.975 30.300 -0.079 0.000 0.850 257 R HN 0.418 nan 8.270 nan 0.000 0.433 258 D N -0.343 120.118 120.400 0.102 0.000 2.183 258 D HA -0.141 4.512 4.640 0.023 0.000 0.203 258 D C 1.614 178.030 176.300 0.193 0.000 0.969 258 D CA 0.729 54.791 54.000 0.104 0.000 0.842 258 D CB -0.335 40.502 40.800 0.062 0.000 0.957 258 D HN 0.197 nan 8.370 nan 0.000 0.484 259 F N 1.838 121.902 119.950 0.189 0.000 2.126 259 F HA -0.145 4.395 4.527 0.023 0.000 0.299 259 F C 2.084 177.900 175.800 0.026 0.000 1.096 259 F CA 1.018 59.148 58.000 0.216 0.000 1.255 259 F CB -0.428 38.781 39.000 0.349 0.000 0.997 259 F HN -0.150 nan 8.300 nan 0.000 0.479 260 I N 0.139 120.595 120.570 -0.191 0.000 2.142 260 I HA -0.297 3.887 4.170 0.023 0.000 0.240 260 I C 2.731 178.682 176.117 -0.276 0.000 1.078 260 I CA 1.297 62.373 61.300 -0.373 0.000 1.343 260 I CB -1.043 36.840 38.000 -0.195 0.000 1.046 260 I HN 0.218 nan 8.210 nan 0.000 0.405 261 A N 0.712 123.492 122.820 -0.066 0.000 1.883 261 A HA -0.188 4.145 4.320 0.023 0.000 0.217 261 A C 2.408 179.974 177.584 -0.031 0.000 1.186 261 A CA 1.528 53.590 52.037 0.041 0.000 0.624 261 A CB -0.461 18.571 19.000 0.052 0.000 0.822 261 A HN 0.272 nan 8.150 nan 0.000 0.444 262 R N -0.866 119.605 120.500 -0.049 0.000 2.127 262 R HA 0.013 4.367 4.340 0.023 0.000 0.217 262 R C 0.678 176.930 176.300 -0.080 0.000 1.074 262 R CA 1.434 57.515 56.100 -0.032 0.000 0.991 262 R CB -0.166 30.139 30.300 0.009 0.000 0.895 262 R HN 0.626 nan 8.270 nan 0.000 0.450 263 D N -0.697 119.594 120.400 -0.182 0.000 3.195 263 D HA -0.035 4.619 4.640 0.023 0.000 0.245 263 D C 1.747 177.783 176.300 -0.440 0.000 1.462 263 D CA -0.165 53.719 54.000 -0.192 0.000 1.259 263 D CB -0.429 40.409 40.800 0.063 0.000 1.199 263 D HN -0.078 nan 8.370 nan 0.000 0.345 264 L N 2.137 122.858 121.223 -0.836 0.000 2.027 264 L HA 0.073 4.426 4.340 0.023 0.000 0.206 264 L C 2.209 178.630 176.870 -0.749 0.000 1.074 264 L CA 2.294 56.580 54.840 -0.922 0.000 0.745 264 L CB -1.051 40.187 42.059 -1.369 0.000 0.898 264 L HN 0.132 nan 8.230 nan 0.000 0.433 265 G N -0.319 107.932 108.800 -0.914 0.000 2.480 265 G HA2 -0.213 3.761 3.960 0.023 0.000 0.216 265 G HA3 -0.213 3.761 3.960 0.023 0.000 0.216 265 G C -0.683 173.496 174.900 -1.203 0.000 1.200 265 G CA 0.958 45.201 45.100 -1.429 0.000 0.782 265 G HN 0.388 nan 8.290 nan 0.000 0.554 266 P HA -0.004 nan 4.420 nan 0.000 0.217 266 P C 2.003 179.174 177.300 -0.215 0.000 1.150 266 P CA 1.611 64.508 63.100 -0.338 0.000 0.832 266 P CB -0.226 31.363 31.700 -0.184 0.000 0.787 267 T N -0.092 114.316 114.554 -0.242 0.000 2.708 267 T HA -0.085 4.278 4.350 0.023 0.000 0.266 267 T C 1.803 176.431 174.700 -0.120 0.000 1.037 267 T CA 1.033 63.047 62.100 -0.143 0.000 1.146 267 T CB -0.950 67.845 68.868 -0.121 0.000 0.865 267 T HN 0.042 nan 8.240 nan 0.000 0.435 268 L N 0.652 121.762 121.223 -0.189 0.000 2.046 268 L HA -0.107 4.246 4.340 0.023 0.000 0.208 268 L C 3.012 179.874 176.870 -0.013 0.000 1.077 268 L CA 1.229 56.005 54.840 -0.108 0.000 0.747 268 L CB -0.605 41.346 42.059 -0.180 0.000 0.896 268 L HN 0.261 nan 8.230 nan 0.000 0.432 269 A N 0.129 122.927 122.820 -0.036 0.000 1.933 269 A HA -0.201 4.133 4.320 0.023 0.000 0.218 269 A C 1.840 179.437 177.584 0.022 0.000 1.175 269 A CA 1.862 53.926 52.037 0.046 0.000 0.628 269 A CB -0.531 18.522 19.000 0.088 0.000 0.814 269 A HN 0.462 nan 8.150 nan 0.000 0.444 270 N N 0.413 119.110 118.700 -0.004 0.000 2.550 270 N HA -0.017 4.736 4.740 0.023 0.000 0.186 270 N C 0.822 176.344 175.510 0.019 0.000 1.110 270 N CA 0.844 53.891 53.050 -0.005 0.000 0.912 270 N CB -0.258 38.221 38.487 -0.013 0.000 0.968 270 N HN 0.616 nan 8.380 nan 0.000 0.448 271 S N -0.818 114.911 115.700 0.048 0.000 2.693 271 S HA 0.199 4.683 4.470 0.023 0.000 0.276 271 S C 1.460 176.095 174.600 0.058 0.000 1.192 271 S CA -0.287 57.941 58.200 0.047 0.000 0.994 271 S CB 1.279 64.525 63.200 0.077 0.000 1.012 271 S HN 0.260 nan 8.310 nan 0.000 0.550 272 T N -1.644 112.849 114.554 -0.102 0.000 3.113 272 T HA 0.003 4.367 4.350 0.023 0.000 0.263 272 T C 0.699 175.157 174.700 -0.403 0.000 1.143 272 T CA 0.669 62.646 62.100 -0.205 0.000 1.090 272 T CB -0.710 67.976 68.868 -0.304 0.000 0.922 272 T HN 0.765 nan 8.240 nan 0.000 0.521 273 H N 0.869 119.908 119.070 -0.050 0.000 2.507 273 H HA 0.166 4.736 4.556 0.023 0.000 0.294 273 H C 1.548 176.778 175.328 -0.164 0.000 1.064 273 H CA 0.489 56.467 56.048 -0.116 0.000 1.138 273 H CB -0.341 29.393 29.762 -0.046 0.000 1.515 273 H HN 0.833 nan 8.280 nan 0.000 0.547 274 H N -0.551 118.537 119.070 0.031 0.000 2.489 274 H HA -0.075 4.495 4.556 0.023 0.000 0.295 274 H C 1.385 176.715 175.328 0.003 0.000 1.082 274 H CA 1.042 57.095 56.048 0.008 0.000 1.295 274 H CB -0.016 29.744 29.762 -0.005 0.000 1.380 274 H HN 0.059 nan 8.280 nan 0.000 0.548 275 N N 0.842 119.343 118.700 -0.330 0.000 2.459 275 N HA -0.035 4.719 4.740 0.023 0.000 0.181 275 N C -0.105 175.353 175.510 -0.087 0.000 1.046 275 N CA 0.513 53.480 53.050 -0.138 0.000 0.904 275 N CB 0.079 38.472 38.487 -0.156 0.000 0.964 275 N HN 0.211 nan 8.380 nan 0.000 0.444 276 V N 3.711 123.582 119.914 -0.071 0.000 2.529 276 V HA -0.003 4.130 4.120 0.023 0.000 0.292 276 V C 0.782 176.772 176.094 -0.174 0.000 1.028 276 V CA -0.136 62.112 62.300 -0.087 0.000 1.074 276 V CB 0.354 32.165 31.823 -0.020 0.000 0.958 276 V HN 0.119 nan 8.190 nan 0.000 0.481 277 R N 3.748 124.048 120.500 -0.332 0.000 2.560 277 R HA 0.545 4.899 4.340 0.023 0.000 0.270 277 R C -0.546 175.562 176.300 -0.319 0.000 1.074 277 R CA -0.857 55.017 56.100 -0.377 0.000 1.140 277 R CB 0.817 30.734 30.300 -0.639 0.000 1.073 277 R HN 0.528 nan 8.270 nan 0.000 0.527 278 L N 2.179 123.283 121.223 -0.199 0.000 2.313 278 L HA 0.442 4.796 4.340 0.023 0.000 0.283 278 L C -1.115 175.674 176.870 -0.134 0.000 1.013 278 L CA -0.316 54.416 54.840 -0.180 0.000 0.816 278 L CB 1.221 43.181 42.059 -0.165 0.000 1.236 278 L HN 0.431 nan 8.230 nan 0.000 0.419 279 L N 5.754 126.881 121.223 -0.160 0.000 2.329 279 L HA 0.592 4.945 4.340 0.023 0.000 0.279 279 L C 0.196 177.008 176.870 -0.097 0.000 1.014 279 L CA -0.735 54.037 54.840 -0.114 0.000 0.814 279 L CB 1.703 43.684 42.059 -0.131 0.000 1.257 279 L HN 0.754 nan 8.230 nan 0.000 0.424 280 M N 1.813 121.369 119.600 -0.073 0.000 2.513 280 M HA 0.569 5.062 4.480 0.023 0.000 0.291 280 M C 0.558 176.810 176.300 -0.079 0.000 1.190 280 M CA -0.329 54.935 55.300 -0.060 0.000 0.960 280 M CB 1.495 34.081 32.600 -0.024 0.000 1.517 280 M HN 0.503 nan 8.290 nan 0.000 0.499 281 L N 0.163 121.325 121.223 -0.102 0.000 3.838 281 L HA -0.334 4.020 4.340 0.023 0.000 0.053 281 L C 0.255 176.873 176.870 -0.420 0.000 4.244 281 L CA 2.928 57.579 54.840 -0.316 0.000 0.724 281 L CB -1.861 40.053 42.059 -0.242 0.000 3.466 281 L HN 1.184 nan 8.230 nan 0.000 0.932 282 D N 0.710 120.918 120.400 -0.320 0.000 2.697 282 D HA -0.066 4.588 4.640 0.023 0.000 0.235 282 D C -0.406 175.390 176.300 -0.839 0.000 1.167 282 D CA 1.499 55.261 54.000 -0.397 0.000 0.656 282 D CB -0.744 39.892 40.800 -0.275 0.000 1.025 282 D HN 0.746 nan 8.370 nan 0.000 0.419 283 D N -0.675 119.240 120.400 -0.807 0.000 2.713 283 D HA 0.171 4.824 4.640 0.023 0.000 0.306 283 D C -0.566 175.509 176.300 -0.374 0.000 1.299 283 D CA -0.466 53.073 54.000 -0.769 0.000 0.823 283 D CB 0.572 40.958 40.800 -0.690 0.000 1.353 283 D HN 0.118 nan 8.370 nan 0.000 0.447 284 Q N 0.537 120.232 119.800 -0.175 0.000 2.333 284 Q HA 0.040 4.394 4.340 0.023 0.000 0.299 284 Q C 1.273 177.341 176.000 0.114 0.000 1.067 284 Q CA 0.378 56.253 55.803 0.120 0.000 0.943 284 Q CB 1.086 29.878 28.738 0.089 0.000 1.233 284 Q HN 0.313 nan 8.270 nan 0.000 0.401 285 R N 3.033 123.688 120.500 0.258 0.000 2.236 285 R HA -0.081 4.273 4.340 0.023 0.000 0.208 285 R C 1.609 177.929 176.300 0.034 0.000 1.036 285 R CA 0.751 56.871 56.100 0.034 0.000 1.001 285 R CB -0.482 29.748 30.300 -0.118 0.000 0.896 285 R HN 0.737 nan 8.270 nan 0.000 0.464 286 L N -0.418 120.911 121.223 0.178 0.000 2.450 286 L HA -0.021 4.333 4.340 0.023 0.000 0.224 286 L C 1.235 178.157 176.870 0.086 0.000 1.149 286 L CA 1.411 56.332 54.840 0.134 0.000 0.816 286 L CB -0.510 41.689 42.059 0.233 0.000 0.932 286 L HN 0.234 nan 8.230 nan 0.000 0.449 287 L N 0.251 121.504 121.223 0.049 0.000 2.591 287 L HA 0.223 4.576 4.340 0.023 0.000 0.228 287 L C 0.804 177.788 176.870 0.190 0.000 1.133 287 L CA -0.037 54.855 54.840 0.086 0.000 0.880 287 L CB 0.075 42.020 42.059 -0.191 0.000 1.033 287 L HN 0.225 nan 8.230 nan 0.000 0.450 288 L N 0.606 121.898 121.223 0.115 0.000 2.334 288 L HA 0.292 4.646 4.340 0.023 0.000 0.275 288 L C -1.277 175.665 176.870 0.120 0.000 1.036 288 L CA -1.536 53.383 54.840 0.132 0.000 0.807 288 L CB 1.293 43.394 42.059 0.070 0.000 1.231 288 L HN -0.189 nan 8.230 nan 0.000 0.438 289 P HA -0.072 nan 4.420 nan 0.000 0.245 289 P C 1.055 178.497 177.300 0.236 0.000 1.206 289 P CA 0.697 63.905 63.100 0.180 0.000 0.781 289 P CB 0.118 31.908 31.700 0.150 0.000 0.994 290 H N -0.605 118.557 119.070 0.153 0.000 2.289 290 H HA -0.188 4.381 4.556 0.023 0.000 0.294 290 H C 1.616 177.030 175.328 0.142 0.000 1.095 290 H CA 2.267 58.396 56.048 0.134 0.000 1.256 290 H CB -0.874 28.958 29.762 0.117 0.000 1.359 290 H HN 0.028 nan 8.280 nan 0.000 0.487 291 W N 0.510 121.794 121.300 -0.027 0.000 2.338 291 W HA -0.152 4.522 4.660 0.023 0.000 0.304 291 W C 2.921 179.346 176.519 -0.157 0.000 1.212 291 W CA 2.331 59.606 57.345 -0.116 0.000 1.264 291 W CB -0.820 28.618 29.460 -0.038 0.000 1.142 291 W HN 0.388 nan 8.180 nan 0.000 0.512 292 A N 0.091 122.985 122.820 0.124 0.000 1.902 292 A HA -0.243 4.090 4.320 0.023 0.000 0.217 292 A C 1.893 179.358 177.584 -0.197 0.000 1.181 292 A CA 2.157 54.160 52.037 -0.057 0.000 0.623 292 A CB -0.691 18.340 19.000 0.051 0.000 0.818 292 A HN 0.327 nan 8.150 nan 0.000 0.443 293 K N -0.466 119.951 120.400 0.027 0.000 2.002 293 K HA -0.079 4.255 4.320 0.023 0.000 0.209 293 K C 1.867 178.403 176.600 -0.108 0.000 1.048 293 K CA 1.483 57.819 56.287 0.081 0.000 0.930 293 K CB -0.539 32.029 32.500 0.114 0.000 0.714 293 K HN 0.263 nan 8.250 nan 0.000 0.438 294 V N 1.129 120.886 119.914 -0.263 0.000 2.252 294 V HA -0.266 3.867 4.120 0.023 0.000 0.249 294 V C 2.268 178.232 176.094 -0.216 0.000 1.056 294 V CA 1.836 63.962 62.300 -0.291 0.000 1.022 294 V CB -0.460 31.080 31.823 -0.472 0.000 0.641 294 V HN 0.120 nan 8.190 nan 0.000 0.445 295 V N -0.783 118.995 119.914 -0.225 0.000 2.379 295 V HA -0.139 3.994 4.120 0.023 0.000 0.245 295 V C 2.138 178.108 176.094 -0.207 0.000 1.044 295 V CA 1.693 63.883 62.300 -0.183 0.000 1.036 295 V CB -0.405 31.335 31.823 -0.138 0.000 0.664 295 V HN 0.417 nan 8.190 nan 0.000 0.453 296 L N 0.432 121.454 121.223 -0.335 0.000 2.249 296 L HA -0.033 4.320 4.340 0.023 0.000 0.207 296 L C 2.598 179.344 176.870 -0.207 0.000 1.090 296 L CA 1.465 56.036 54.840 -0.449 0.000 0.802 296 L CB -0.684 40.708 42.059 -1.112 0.000 0.947 296 L HN 0.527 nan 8.230 nan 0.000 0.453 297 T N -3.589 110.920 114.554 -0.076 0.000 3.155 297 T HA -0.120 4.244 4.350 0.023 0.000 0.264 297 T C 0.607 175.301 174.700 -0.011 0.000 1.160 297 T CA 0.139 62.268 62.100 0.048 0.000 1.075 297 T CB -0.416 68.507 68.868 0.093 0.000 0.921 297 T HN 0.064 nan 8.240 nan 0.000 0.533 298 D N 2.325 122.693 120.400 -0.052 0.000 2.412 298 D HA 0.248 4.902 4.640 0.023 0.000 0.224 298 D C -1.471 174.797 176.300 -0.054 0.000 1.093 298 D CA -2.713 51.258 54.000 -0.048 0.000 0.850 298 D CB 2.042 42.809 40.800 -0.055 0.000 1.046 298 D HN 0.040 nan 8.370 nan 0.000 0.507 299 P HA -0.119 nan 4.420 nan 0.000 0.222 299 P C 0.761 178.003 177.300 -0.095 0.000 1.147 299 P CA 0.770 63.831 63.100 -0.065 0.000 0.790 299 P CB 0.667 32.336 31.700 -0.053 0.000 0.780 300 E N 0.185 120.344 120.200 -0.067 0.000 2.107 300 E HA -0.044 4.320 4.350 0.023 0.000 0.191 300 E C 2.168 178.770 176.600 0.004 0.000 0.982 300 E CA 1.137 57.505 56.400 -0.054 0.000 0.809 300 E CB -0.784 28.913 29.700 -0.005 0.000 0.756 300 E HN 0.230 nan 8.360 nan 0.000 0.459 301 A N 1.820 124.648 122.820 0.014 0.000 1.854 301 A HA 0.015 4.349 4.320 0.023 0.000 0.214 301 A C 2.475 180.054 177.584 -0.009 0.000 1.192 301 A CA 1.850 53.913 52.037 0.043 0.000 0.611 301 A CB -0.722 18.267 19.000 -0.018 0.000 0.832 301 A HN 0.248 nan 8.150 nan 0.000 0.442 302 A N 1.013 123.785 122.820 -0.080 0.000 1.917 302 A HA -0.248 4.085 4.320 0.023 0.000 0.219 302 A C 2.116 179.629 177.584 -0.118 0.000 1.182 302 A CA 2.254 54.227 52.037 -0.105 0.000 0.633 302 A CB -0.582 18.356 19.000 -0.104 0.000 0.819 302 A HN 0.665 nan 8.150 nan 0.000 0.448 303 K N -1.448 118.824 120.400 -0.214 0.000 2.362 303 K HA -0.123 4.210 4.320 0.023 0.000 0.200 303 K C 1.231 177.646 176.600 -0.308 0.000 1.046 303 K CA 1.545 57.652 56.287 -0.299 0.000 0.952 303 K CB -0.360 31.883 32.500 -0.429 0.000 0.753 303 K HN 0.639 nan 8.250 nan 0.000 0.466 304 Y N 0.871 121.125 120.300 -0.077 0.000 2.497 304 Y HA 0.131 4.695 4.550 0.023 0.000 0.265 304 Y C 0.706 176.550 175.900 -0.093 0.000 1.111 304 Y CA -0.669 57.375 58.100 -0.094 0.000 1.288 304 Y CB 0.997 39.377 38.460 -0.133 0.000 1.082 304 Y HN -0.228 nan 8.280 nan 0.000 0.536 305 V N 0.885 120.829 119.914 0.051 0.000 2.406 305 V HA -0.006 4.128 4.120 0.023 0.000 0.272 305 V C 0.594 176.710 176.094 0.036 0.000 1.043 305 V CA -0.133 62.169 62.300 0.005 0.000 0.915 305 V CB 1.024 32.817 31.823 -0.049 0.000 0.988 305 V HN 0.317 nan 8.190 nan 0.000 0.466 306 H N 3.821 122.851 119.070 -0.066 0.000 2.465 306 H HA 0.416 4.986 4.556 0.023 0.000 0.289 306 H C 0.738 176.054 175.328 -0.019 0.000 1.022 306 H CA 0.987 57.009 56.048 -0.044 0.000 1.340 306 H CB 0.618 30.337 29.762 -0.071 0.000 1.437 306 H HN 0.758 nan 8.280 nan 0.000 0.539 307 G N -0.694 108.058 108.800 -0.082 0.000 2.600 307 G HA2 0.431 4.404 3.960 0.023 0.000 0.293 307 G HA3 0.431 4.404 3.960 0.023 0.000 0.293 307 G C -1.647 173.233 174.900 -0.035 0.000 1.408 307 G CA -0.744 44.297 45.100 -0.097 0.000 0.782 307 G HN 0.128 nan 8.290 nan 0.000 0.482 308 I N 1.193 121.770 120.570 0.012 0.000 2.362 308 I HA 0.570 4.754 4.170 0.023 0.000 0.289 308 I C 0.534 176.696 176.117 0.074 0.000 0.994 308 I CA -0.687 60.625 61.300 0.020 0.000 1.158 308 I CB 1.922 39.937 38.000 0.026 0.000 1.315 308 I HN 0.621 nan 8.210 nan 0.000 0.451 309 A N 6.748 129.596 122.820 0.046 0.000 2.301 309 A HA 0.770 5.103 4.320 0.023 0.000 0.298 309 A C -0.305 177.295 177.584 0.027 0.000 1.185 309 A CA -0.475 51.632 52.037 0.117 0.000 0.830 309 A CB 0.896 19.965 19.000 0.114 0.000 1.112 309 A HN 0.620 nan 8.150 nan 0.000 0.508 310 V N 0.793 120.740 119.914 0.055 0.000 2.769 310 V HA 0.656 4.789 4.120 0.023 0.000 0.312 310 V C -0.493 175.670 176.094 0.114 0.000 1.061 310 V CA -0.698 61.612 62.300 0.017 0.000 0.931 310 V CB 1.285 33.105 31.823 -0.005 0.000 1.010 310 V HN 0.934 nan 8.190 nan 0.000 0.433 311 H N 2.763 121.788 119.070 -0.075 0.000 2.573 311 H HA 0.516 5.085 4.556 0.023 0.000 0.351 311 H C -1.518 173.895 175.328 0.141 0.000 1.163 311 H CA -0.615 55.366 56.048 -0.113 0.000 1.205 311 H CB 2.397 32.081 29.762 -0.130 0.000 1.605 311 H HN 0.786 nan 8.280 nan 0.000 0.525 312 W N 2.131 123.310 121.300 -0.202 0.000 3.033 312 W HA 0.229 4.903 4.660 0.022 0.000 0.336 312 W C -1.784 174.609 176.519 -0.210 0.000 1.173 312 W CA -0.732 56.571 57.345 -0.070 0.000 1.185 312 W CB 2.112 31.571 29.460 -0.003 0.000 1.425 312 W HN 0.562 nan 8.180 nan 0.000 0.536 313 Y N 4.285 124.310 120.300 -0.458 0.000 2.417 313 Y HA 0.204 4.768 4.550 0.023 0.000 0.336 313 Y C 1.105 176.965 175.900 -0.068 0.000 0.961 313 Y CA -0.326 57.660 58.100 -0.190 0.000 1.215 313 Y CB 0.905 39.308 38.460 -0.096 0.000 1.120 313 Y HN 0.219 nan 8.280 nan 0.000 0.499 314 L N 1.653 122.998 121.223 0.203 0.000 2.465 314 L HA -0.091 4.263 4.340 0.023 0.000 0.224 314 L C 1.024 178.030 176.870 0.227 0.000 1.145 314 L CA 0.619 55.651 54.840 0.321 0.000 0.834 314 L CB -0.006 42.233 42.059 0.301 0.000 0.944 314 L HN 0.627 nan 8.230 nan 0.000 0.451 315 D N 0.456 120.906 120.400 0.083 0.000 2.350 315 D HA -0.074 4.579 4.640 0.023 0.000 0.216 315 D C 0.202 176.330 176.300 -0.287 0.000 0.968 315 D CA 1.025 54.931 54.000 -0.157 0.000 0.894 315 D CB 0.048 40.648 40.800 -0.334 0.000 0.909 315 D HN 0.211 nan 8.370 nan 0.000 0.520 316 F N 1.451 121.471 119.950 0.116 0.000 2.293 316 F HA 0.207 4.748 4.527 0.023 0.000 0.370 316 F C 0.004 176.051 175.800 0.412 0.000 1.090 316 F CA -1.440 56.669 58.000 0.182 0.000 1.133 316 F CB 0.548 39.567 39.000 0.032 0.000 1.360 316 F HN -0.270 nan 8.300 nan 0.000 0.489 317 L N 2.115 123.593 121.223 0.425 0.000 2.565 317 L HA 0.655 5.009 4.340 0.023 0.000 0.275 317 L C -0.122 176.967 176.870 0.366 0.000 1.137 317 L CA -0.645 54.422 54.840 0.379 0.000 0.915 317 L CB -0.724 41.482 42.059 0.245 0.000 1.232 317 L HN 0.509 nan 8.230 nan 0.000 0.473 318 A N 3.898 126.934 122.820 0.361 0.000 2.398 318 A HA 0.880 5.214 4.320 0.023 0.000 0.301 318 A C -2.439 175.121 177.584 -0.040 0.000 1.041 318 A CA -1.305 50.853 52.037 0.203 0.000 0.711 318 A CB 0.574 19.794 19.000 0.367 0.000 1.240 318 A HN 0.668 nan 8.150 nan 0.000 0.420 319 P HA 0.384 nan 4.420 nan 0.000 0.267 319 P C 0.525 177.678 177.300 -0.246 0.000 1.201 319 P CA 0.505 63.532 63.100 -0.121 0.000 0.775 319 P CB 0.953 32.618 31.700 -0.059 0.000 0.854 320 A N 1.778 124.388 122.820 -0.350 0.000 2.600 320 A HA 0.096 4.429 4.320 0.023 0.000 0.252 320 A C 1.750 178.906 177.584 -0.715 0.000 1.200 320 A CA 0.125 51.858 52.037 -0.506 0.000 0.981 320 A CB -0.305 18.369 19.000 -0.545 0.000 1.207 320 A HN 0.537 nan 8.150 nan 0.000 0.577 321 K N 0.848 120.837 120.400 -0.685 0.000 2.026 321 K HA -0.018 4.316 4.320 0.023 0.000 0.208 321 K C 1.889 178.372 176.600 -0.194 0.000 1.048 321 K CA 1.573 57.567 56.287 -0.488 0.000 0.929 321 K CB -0.319 32.097 32.500 -0.139 0.000 0.713 321 K HN 0.297 nan 8.250 nan 0.000 0.439 322 A N 0.250 122.981 122.820 -0.148 0.000 2.131 322 A HA -0.152 4.181 4.320 0.023 0.000 0.220 322 A C 1.935 179.484 177.584 -0.059 0.000 1.158 322 A CA 2.149 54.143 52.037 -0.071 0.000 0.665 322 A CB -0.767 18.200 19.000 -0.056 0.000 0.795 322 A HN 0.707 nan 8.150 nan 0.000 0.460 323 T N -3.133 111.354 114.554 -0.111 0.000 3.391 323 T HA 0.212 4.575 4.350 0.023 0.000 0.233 323 T C 1.771 176.452 174.700 -0.031 0.000 0.960 323 T CA 0.515 62.573 62.100 -0.069 0.000 1.342 323 T CB -0.688 68.107 68.868 -0.121 0.000 1.124 323 T HN 0.127 nan 8.240 nan 0.000 0.396 324 L N 1.568 122.744 121.223 -0.078 0.000 2.046 324 L HA 0.117 4.471 4.340 0.023 0.000 0.208 324 L C 3.080 180.050 176.870 0.167 0.000 1.077 324 L CA 1.651 56.514 54.840 0.038 0.000 0.747 324 L CB -1.169 40.909 42.059 0.031 0.000 0.896 324 L HN 0.576 nan 8.230 nan 0.000 0.432 325 G N -0.153 108.727 108.800 0.133 0.000 2.434 325 G HA2 -0.311 3.663 3.960 0.023 0.000 0.214 325 G HA3 -0.311 3.663 3.960 0.023 0.000 0.214 325 G C 1.442 176.440 174.900 0.162 0.000 1.202 325 G CA 0.868 46.139 45.100 0.286 0.000 0.788 325 G HN 0.323 nan 8.290 nan 0.000 0.539 326 E N 0.429 120.678 120.200 0.083 0.000 2.085 326 E HA -0.109 4.254 4.350 0.023 0.000 0.194 326 E C 2.593 179.220 176.600 0.044 0.000 0.994 326 E CA 1.881 58.309 56.400 0.046 0.000 0.801 326 E CB -0.693 29.026 29.700 0.031 0.000 0.743 326 E HN 0.347 nan 8.360 nan 0.000 0.453 327 T N 0.068 114.679 114.554 0.096 0.000 2.708 327 T HA -0.204 4.160 4.350 0.023 0.000 0.266 327 T C 1.672 176.451 174.700 0.131 0.000 1.037 327 T CA 1.450 63.644 62.100 0.158 0.000 1.146 327 T CB -0.601 68.373 68.868 0.178 0.000 0.865 327 T HN 0.411 nan 8.240 nan 0.000 0.435 328 H N 1.467 120.540 119.070 0.005 0.000 2.352 328 H HA -0.032 4.538 4.556 0.023 0.000 0.299 328 H C 2.614 177.855 175.328 -0.144 0.000 1.097 328 H CA 1.652 57.633 56.048 -0.110 0.000 1.311 328 H CB -0.114 29.391 29.762 -0.429 0.000 1.377 328 H HN 0.242 nan 8.280 nan 0.000 0.504 329 R N 0.396 120.809 120.500 -0.145 0.000 2.083 329 R HA -0.125 4.228 4.340 0.023 0.000 0.237 329 R C 2.727 178.846 176.300 -0.302 0.000 1.137 329 R CA 1.653 57.637 56.100 -0.193 0.000 0.951 329 R CB -0.192 30.068 30.300 -0.067 0.000 0.851 329 R HN 0.329 nan 8.270 nan 0.000 0.434 330 L N -0.628 120.380 121.223 -0.358 0.000 2.141 330 L HA -0.063 4.290 4.340 0.023 0.000 0.209 330 L C 0.420 176.627 176.870 -1.107 0.000 1.094 330 L CA 0.991 55.374 54.840 -0.761 0.000 0.763 330 L CB 0.052 41.560 42.059 -0.918 0.000 0.908 330 L HN 0.119 nan 8.230 nan 0.000 0.437 331 F N -1.101 118.770 119.950 -0.131 0.000 2.646 331 F HA 0.292 4.832 4.527 0.022 0.000 0.336 331 F C -1.734 173.954 175.800 -0.187 0.000 1.437 331 F CA -1.455 56.472 58.000 -0.122 0.000 1.142 331 F CB 0.336 39.297 39.000 -0.065 0.000 1.530 331 F HN -0.183 nan 8.300 nan 0.000 0.591 332 P HA -0.084 nan 4.420 nan 0.000 0.230 332 P C 0.271 177.513 177.300 -0.098 0.000 1.158 332 P CA 1.131 63.954 63.100 -0.462 0.000 0.769 332 P CB 0.400 31.799 31.700 -0.502 0.000 0.807 333 N N -0.601 118.093 118.700 -0.010 0.000 2.235 333 N HA 0.052 4.806 4.740 0.023 0.000 0.209 333 N C -0.158 175.370 175.510 0.029 0.000 1.122 333 N CA 0.383 53.452 53.050 0.032 0.000 0.845 333 N CB 0.471 38.975 38.487 0.028 0.000 1.004 333 N HN 0.044 nan 8.380 nan 0.000 0.499 334 T N 2.655 117.237 114.554 0.046 0.000 2.947 334 T HA 0.263 4.626 4.350 0.023 0.000 0.337 334 T C 0.498 175.212 174.700 0.023 0.000 1.139 334 T CA -0.735 61.365 62.100 -0.001 0.000 0.992 334 T CB 0.501 69.373 68.868 0.005 0.000 1.043 334 T HN 0.123 nan 8.240 nan 0.000 0.498 335 M N 3.108 122.686 119.600 -0.037 0.000 2.240 335 M HA 0.206 4.700 4.480 0.023 0.000 0.346 335 M C -0.755 175.607 176.300 0.104 0.000 1.236 335 M CA 0.440 55.769 55.300 0.048 0.000 0.986 335 M CB -0.462 32.149 32.600 0.020 0.000 1.786 335 M HN 0.317 nan 8.290 nan 0.000 0.457 336 L N 4.199 125.519 121.223 0.161 0.000 2.312 336 L HA 0.652 5.006 4.340 0.023 0.000 0.281 336 L C -0.782 176.223 176.870 0.227 0.000 1.070 336 L CA -0.134 54.807 54.840 0.168 0.000 0.805 336 L CB 0.795 42.945 42.059 0.151 0.000 1.174 336 L HN 0.808 nan 8.230 nan 0.000 0.434 337 F N 2.482 122.458 119.950 0.043 0.000 2.574 337 F HA 0.672 5.213 4.527 0.024 0.000 0.313 337 F C -0.454 175.341 175.800 -0.007 0.000 1.130 337 F CA -0.749 57.276 58.000 0.042 0.000 0.936 337 F CB 1.480 40.548 39.000 0.113 0.000 1.219 337 F HN 0.414 nan 8.300 nan 0.000 0.445 338 A N 3.531 125.917 122.820 -0.724 0.000 2.316 338 A HA 0.452 4.785 4.320 0.023 0.000 0.311 338 A C 0.519 177.647 177.584 -0.760 0.000 1.339 338 A CA 0.220 51.896 52.037 -0.602 0.000 0.960 338 A CB -0.052 18.570 19.000 -0.631 0.000 1.152 338 A HN 0.974 nan 8.150 nan 0.000 0.547 339 S N 1.238 116.793 115.700 -0.241 0.000 2.524 339 S HA 0.193 4.676 4.470 0.023 0.000 0.216 339 S C 0.334 174.765 174.600 -0.282 0.000 0.987 339 S CA 0.410 58.625 58.200 0.025 0.000 0.909 339 S CB 0.057 63.445 63.200 0.313 0.000 0.781 339 S HN 0.791 nan 8.310 nan 0.000 0.521 340 E N -0.267 119.565 120.200 -0.614 0.000 2.397 340 E HA 0.571 4.934 4.350 0.023 0.000 0.293 340 E C -1.802 174.260 176.600 -0.895 0.000 0.930 340 E CA -0.460 55.433 56.400 -0.845 0.000 0.793 340 E CB 1.656 30.548 29.700 -1.348 0.000 1.259 340 E HN 0.326 nan 8.360 nan 0.000 0.406 341 A N 2.421 124.713 122.820 -0.880 0.000 2.374 341 A HA 0.918 5.252 4.320 0.023 0.000 0.317 341 A C -0.662 176.675 177.584 -0.412 0.000 1.094 341 A CA -0.357 51.224 52.037 -0.760 0.000 0.765 341 A CB 0.991 19.286 19.000 -1.176 0.000 1.268 341 A HN 0.901 nan 8.150 nan 0.000 0.438 342 C N -0.111 119.021 119.300 -0.280 0.000 3.312 342 C HA 0.898 5.372 4.460 0.023 0.000 0.332 342 C C -0.602 174.489 174.990 0.169 0.000 1.340 342 C CA -0.103 58.959 59.018 0.072 0.000 1.265 342 C CB 0.683 28.531 27.740 0.180 0.000 1.563 342 C HN 1.806 nan 8.230 nan 0.000 0.471 343 V N -1.154 118.929 119.914 0.282 0.000 3.141 343 V HA 1.048 5.181 4.120 0.023 0.000 0.312 343 V C 0.534 176.714 176.094 0.143 0.000 1.157 343 V CA 0.075 62.492 62.300 0.196 0.000 1.041 343 V CB 1.068 32.997 31.823 0.176 0.000 1.071 343 V HN 2.706 nan 8.190 nan 0.000 0.441 344 G N -0.242 108.593 108.800 0.057 0.000 2.559 344 G HA2 -0.080 3.894 3.960 0.023 0.000 0.202 344 G HA3 -0.080 3.894 3.960 0.023 0.000 0.202 344 G C 0.156 175.059 174.900 0.005 0.000 0.992 344 G CA 0.421 45.539 45.100 0.031 0.000 0.764 344 G HN 1.084 nan 8.290 nan 0.000 0.525 345 S N -0.470 115.215 115.700 -0.025 0.000 2.505 345 S HA 0.739 5.222 4.470 0.023 0.000 0.273 345 S C -0.097 174.305 174.600 -0.331 0.000 1.123 345 S CA 0.707 58.841 58.200 -0.110 0.000 1.006 345 S CB 0.622 63.803 63.200 -0.030 0.000 1.243 345 S HN 0.863 nan 8.310 nan 0.000 0.498 346 K N 0.579 120.711 120.400 -0.446 0.000 4.683 346 K HA -0.099 4.234 4.320 0.023 0.000 0.872 346 K C 0.328 176.554 176.600 -0.622 0.000 1.421 346 K CA 0.666 56.375 56.287 -0.963 0.000 1.471 346 K CB -2.097 29.483 32.500 -1.534 0.000 2.620 346 K HN 0.553 nan 8.250 nan 0.000 0.261 347 F N 0.548 120.386 119.950 -0.186 0.000 2.225 347 F HA -0.205 4.336 4.527 0.024 0.000 0.302 347 F C 1.573 177.417 175.800 0.073 0.000 1.068 347 F CA 1.431 59.433 58.000 0.003 0.000 1.327 347 F CB -0.402 38.660 39.000 0.103 0.000 1.043 347 F HN 0.646 nan 8.300 nan 0.000 0.506 348 W N 0.805 121.624 121.300 -0.802 0.000 3.077 348 W HA 0.419 5.092 4.660 0.021 0.000 0.245 348 W C 0.299 176.684 176.519 -0.222 0.000 1.316 348 W CA -0.004 56.991 57.345 -0.584 0.000 1.537 348 W CB -0.323 28.656 29.460 -0.802 0.000 1.131 348 W HN -0.023 nan 8.180 nan 0.000 0.695 349 E N 0.128 120.109 120.200 -0.365 0.000 2.460 349 E HA 0.155 4.519 4.350 0.023 0.000 0.277 349 E C -0.711 175.797 176.600 -0.153 0.000 1.010 349 E CA -0.873 55.422 56.400 -0.173 0.000 0.838 349 E CB 1.454 31.069 29.700 -0.143 0.000 1.448 349 E HN 0.003 nan 8.360 nan 0.000 0.462 350 Q N -0.124 119.617 119.800 -0.098 0.000 2.368 350 Q HA 0.231 4.584 4.340 0.023 0.000 0.237 350 Q C 1.127 177.083 176.000 -0.074 0.000 0.987 350 Q CA -0.138 55.633 55.803 -0.054 0.000 0.896 350 Q CB 0.606 29.331 28.738 -0.023 0.000 1.241 350 Q HN 0.413 nan 8.270 nan 0.000 0.485 351 S N -0.031 115.668 115.700 -0.002 0.000 2.370 351 S HA -0.086 4.397 4.470 0.023 0.000 0.226 351 S C 0.792 175.386 174.600 -0.010 0.000 1.033 351 S CA 0.788 59.014 58.200 0.043 0.000 1.011 351 S CB 0.057 63.351 63.200 0.156 0.000 0.852 351 S HN 0.426 nan 8.310 nan 0.000 0.457 352 V N 2.573 122.456 119.914 -0.052 0.000 2.357 352 V HA 0.393 4.526 4.120 0.023 0.000 0.284 352 V C -0.069 175.933 176.094 -0.155 0.000 1.018 352 V CA -0.548 61.698 62.300 -0.091 0.000 0.841 352 V CB 1.219 32.995 31.823 -0.079 0.000 0.991 352 V HN 0.216 nan 8.190 nan 0.000 0.437 353 R N 4.902 125.254 120.500 -0.246 0.000 2.310 353 R HA 0.496 4.849 4.340 0.023 0.000 0.316 353 R C -0.955 175.185 176.300 -0.266 0.000 1.004 353 R CA -0.613 55.193 56.100 -0.489 0.000 0.900 353 R CB 1.382 31.215 30.300 -0.778 0.000 1.152 353 R HN 0.617 nan 8.270 nan 0.000 0.513 354 L N 2.464 123.645 121.223 -0.071 0.000 2.456 354 L HA 0.158 4.512 4.340 0.023 0.000 0.277 354 L C 1.215 178.212 176.870 0.211 0.000 1.124 354 L CA 0.614 55.405 54.840 -0.083 0.000 0.880 354 L CB 0.896 42.561 42.059 -0.656 0.000 1.192 354 L HN 1.006 nan 8.230 nan 0.000 0.463 355 G N 2.017 110.909 108.800 0.153 0.000 2.131 355 G HA2 -0.264 3.710 3.960 0.023 0.000 0.223 355 G HA3 -0.264 3.710 3.960 0.023 0.000 0.223 355 G C 0.328 175.367 174.900 0.231 0.000 0.990 355 G CA 0.133 45.376 45.100 0.238 0.000 0.671 355 G HN 0.600 nan 8.290 nan 0.000 0.521 356 S N 0.061 115.822 115.700 0.102 0.000 2.429 356 S HA 0.265 4.749 4.470 0.023 0.000 0.292 356 S C 1.268 175.929 174.600 0.103 0.000 1.183 356 S CA 0.331 58.559 58.200 0.047 0.000 1.088 356 S CB -0.150 62.977 63.200 -0.121 0.000 1.018 356 S HN 0.430 nan 8.310 nan 0.000 0.511 357 W N 4.515 125.811 121.300 -0.007 0.000 2.388 357 W HA -0.130 4.547 4.660 0.028 0.000 0.294 357 W C 1.406 177.884 176.519 -0.067 0.000 1.212 357 W CA 1.545 58.883 57.345 -0.013 0.000 1.271 357 W CB -0.397 29.056 29.460 -0.012 0.000 1.126 357 W HN 0.841 nan 8.180 nan 0.000 0.535 358 D N 0.108 120.510 120.400 0.004 0.000 2.116 358 D HA -0.236 4.418 4.640 0.023 0.000 0.193 358 D C 2.227 178.424 176.300 -0.172 0.000 0.998 358 D CA 2.027 55.982 54.000 -0.074 0.000 0.836 358 D CB -0.163 40.629 40.800 -0.014 0.000 0.951 358 D HN 0.027 nan 8.370 nan 0.000 0.449 359 R N -0.700 119.700 120.500 -0.167 0.000 2.092 359 R HA 0.026 4.380 4.340 0.023 0.000 0.231 359 R C 2.470 178.608 176.300 -0.269 0.000 1.119 359 R CA 1.114 57.121 56.100 -0.155 0.000 0.970 359 R CB -0.459 29.753 30.300 -0.148 0.000 0.864 359 R HN 0.249 nan 8.270 nan 0.000 0.440 360 G N 0.817 109.333 108.800 -0.474 0.000 2.440 360 G HA2 -0.288 3.685 3.960 0.023 0.000 0.218 360 G HA3 -0.288 3.685 3.960 0.023 0.000 0.218 360 G C 1.393 175.613 174.900 -1.133 0.000 1.154 360 G CA 0.877 45.469 45.100 -0.847 0.000 0.767 360 G HN 0.199 nan 8.290 nan 0.000 0.552 361 M N 0.079 119.121 119.600 -0.931 0.000 2.229 361 M HA -0.051 4.442 4.480 0.023 0.000 0.264 361 M C 2.753 179.000 176.300 -0.089 0.000 1.063 361 M CA 0.895 55.928 55.300 -0.445 0.000 1.114 361 M CB -0.270 32.210 32.600 -0.201 0.000 1.387 361 M HN 0.110 nan 8.290 nan 0.000 0.420 362 Q N -0.012 119.772 119.800 -0.027 0.000 2.077 362 Q HA -0.186 4.168 4.340 0.023 0.000 0.206 362 Q C 1.896 178.038 176.000 0.236 0.000 0.989 362 Q CA 1.904 57.801 55.803 0.157 0.000 0.853 362 Q CB -0.891 27.968 28.738 0.200 0.000 0.907 362 Q HN 0.532 nan 8.270 nan 0.000 0.418 363 Y N 1.464 121.744 120.300 -0.033 0.000 2.089 363 Y HA -0.210 4.354 4.550 0.022 0.000 0.282 363 Y C 2.817 178.565 175.900 -0.255 0.000 1.139 363 Y CA 1.574 59.628 58.100 -0.077 0.000 1.123 363 Y CB -0.854 37.582 38.460 -0.039 0.000 0.980 363 Y HN 0.243 nan 8.280 nan 0.000 0.493 364 S N -1.358 114.402 115.700 0.099 0.000 2.406 364 S HA -0.207 4.277 4.470 0.023 0.000 0.228 364 S C 1.975 176.612 174.600 0.062 0.000 1.020 364 S CA 1.186 59.477 58.200 0.153 0.000 0.965 364 S CB -0.926 62.638 63.200 0.606 0.000 0.798 364 S HN 0.608 nan 8.310 nan 0.000 0.488 365 H N 1.285 120.372 119.070 0.028 0.000 2.352 365 H HA -0.086 4.483 4.556 0.022 0.000 0.299 365 H C 2.357 177.656 175.328 -0.049 0.000 1.097 365 H CA 1.777 57.839 56.048 0.024 0.000 1.311 365 H CB -0.207 29.589 29.762 0.057 0.000 1.377 365 H HN 0.587 nan 8.280 nan 0.000 0.504 366 S N -0.202 115.415 115.700 -0.138 0.000 2.425 366 S HA -0.006 4.477 4.470 0.023 0.000 0.225 366 S C 2.324 176.712 174.600 -0.353 0.000 1.024 366 S CA 0.517 58.631 58.200 -0.143 0.000 0.951 366 S CB -0.185 63.092 63.200 0.128 0.000 0.796 366 S HN 0.413 nan 8.310 nan 0.000 0.498 367 I N 1.346 121.407 120.570 -0.848 0.000 2.264 367 I HA -0.168 4.015 4.170 0.023 0.000 0.248 367 I C 2.197 177.948 176.117 -0.610 0.000 1.111 367 I CA 1.320 61.944 61.300 -1.127 0.000 1.382 367 I CB -0.373 36.559 38.000 -1.780 0.000 1.060 367 I HN 0.332 nan 8.210 nan 0.000 0.418 368 I N 0.107 120.424 120.570 -0.423 0.000 2.233 368 I HA -0.234 3.950 4.170 0.023 0.000 0.243 368 I C 2.547 178.565 176.117 -0.164 0.000 1.093 368 I CA 1.454 62.658 61.300 -0.159 0.000 1.380 368 I CB -0.429 37.581 38.000 0.017 0.000 1.067 368 I HN 0.200 nan 8.210 nan 0.000 0.413 369 T N 0.471 114.893 114.554 -0.221 0.000 2.746 369 T HA -0.146 4.217 4.350 0.023 0.000 0.267 369 T C 1.731 176.418 174.700 -0.021 0.000 1.039 369 T CA 1.287 63.312 62.100 -0.124 0.000 1.142 369 T CB -0.345 68.407 68.868 -0.193 0.000 0.866 369 T HN 0.350 nan 8.240 nan 0.000 0.444 370 N N 0.936 119.597 118.700 -0.064 0.000 2.084 370 N HA -0.009 4.744 4.740 0.023 0.000 0.190 370 N C 1.889 177.376 175.510 -0.038 0.000 1.030 370 N CA 1.013 54.062 53.050 -0.002 0.000 0.849 370 N CB -0.238 38.291 38.487 0.070 0.000 1.012 370 N HN 0.330 nan 8.380 nan 0.000 0.423 371 L N 1.091 122.260 121.223 -0.090 0.000 2.191 371 L HA -0.095 4.259 4.340 0.023 0.000 0.212 371 L C 2.159 178.910 176.870 -0.199 0.000 1.103 371 L CA 0.609 55.395 54.840 -0.090 0.000 0.769 371 L CB -0.234 41.810 42.059 -0.025 0.000 0.908 371 L HN 0.170 nan 8.230 nan 0.000 0.438 372 L N -1.784 119.281 121.223 -0.263 0.000 2.395 372 L HA -0.137 4.216 4.340 0.023 0.000 0.218 372 L C 0.682 176.993 176.870 -0.932 0.000 1.130 372 L CA 0.763 55.291 54.840 -0.519 0.000 0.826 372 L CB -0.057 41.729 42.059 -0.455 0.000 0.941 372 L HN 0.235 nan 8.230 nan 0.000 0.451 373 Y N -0.672 119.390 120.300 -0.397 0.000 2.722 373 Y HA 0.219 4.783 4.550 0.023 0.000 0.314 373 Y C 0.368 176.074 175.900 -0.323 0.000 1.008 373 Y CA -0.558 57.274 58.100 -0.446 0.000 1.294 373 Y CB -0.315 38.046 38.460 -0.165 0.000 1.231 373 Y HN 0.156 nan 8.280 nan 0.000 0.558 374 H N -3.052 115.945 119.070 -0.122 0.000 3.636 374 H HA -0.151 4.419 4.556 0.024 0.000 0.179 374 H C 0.027 175.339 175.328 -0.027 0.000 0.968 374 H CA 0.544 56.510 56.048 -0.137 0.000 1.220 374 H CB -1.561 28.039 29.762 -0.271 0.000 1.023 374 H HN 0.110 nan 8.280 nan 0.000 0.366 375 V N 3.019 122.970 119.914 0.062 0.000 2.555 375 V HA 0.050 4.184 4.120 0.023 0.000 0.286 375 V C 2.052 178.164 176.094 0.030 0.000 1.044 375 V CA 0.673 63.007 62.300 0.058 0.000 1.026 375 V CB 1.554 33.391 31.823 0.023 0.000 0.981 375 V HN 0.332 nan 8.190 nan 0.000 0.480 376 V N 2.098 122.053 119.914 0.068 0.000 3.406 376 V HA 0.525 4.659 4.120 0.023 0.000 0.263 376 V C 0.756 176.819 176.094 -0.052 0.000 1.172 376 V CA 1.069 63.408 62.300 0.064 0.000 1.140 376 V CB -0.359 31.560 31.823 0.161 0.000 0.784 376 V HN 0.905 nan 8.190 nan 0.000 0.467 377 G N -1.600 107.073 108.800 -0.211 0.000 2.698 377 G HA2 0.490 4.463 3.960 0.023 0.000 0.293 377 G HA3 0.490 4.463 3.960 0.023 0.000 0.293 377 G C -2.565 171.850 174.900 -0.808 0.000 1.437 377 G CA -0.692 44.078 45.100 -0.551 0.000 0.852 377 G HN 0.281 nan 8.290 nan 0.000 0.499 378 W N 0.968 121.687 121.300 -0.969 0.000 3.211 378 W HA 0.610 5.286 4.660 0.026 0.000 0.335 378 W C -0.807 175.450 176.519 -0.438 0.000 1.113 378 W CA -0.437 56.526 57.345 -0.637 0.000 1.235 378 W CB 2.466 31.724 29.460 -0.337 0.000 1.365 378 W HN 0.565 nan 8.180 nan 0.000 0.476 379 T N 3.981 118.219 114.554 -0.527 0.000 2.847 379 T HA 0.147 4.510 4.350 0.023 0.000 0.291 379 T C -0.779 173.654 174.700 -0.445 0.000 0.998 379 T CA -0.552 61.366 62.100 -0.302 0.000 0.967 379 T CB 1.406 70.204 68.868 -0.116 0.000 0.954 379 T HN 0.371 nan 8.240 nan 0.000 0.441 380 D N 1.231 121.528 120.400 -0.173 0.000 2.371 380 D HA 0.188 4.842 4.640 0.023 0.000 0.242 380 D C 0.360 176.709 176.300 0.081 0.000 1.218 380 D CA -0.520 53.445 54.000 -0.058 0.000 0.945 380 D CB 0.886 41.871 40.800 0.310 0.000 1.137 380 D HN 0.554 nan 8.370 nan 0.000 0.464 381 W N 1.241 122.453 121.300 -0.147 0.000 1.663 381 W HA 0.100 4.773 4.660 0.022 0.000 0.571 381 W C 0.312 176.772 176.519 -0.098 0.000 2.004 381 W CA -0.838 56.420 57.345 -0.144 0.000 2.260 381 W CB 0.116 29.465 29.460 -0.184 0.000 2.488 381 W HN 0.244 nan 8.180 nan 0.000 0.814 382 N N 2.586 120.917 118.700 -0.614 0.000 1.920 382 N HA -0.195 4.558 4.740 0.023 0.000 0.307 382 N C 0.918 176.320 175.510 -0.179 0.000 1.305 382 N CA 0.861 53.542 53.050 -0.615 0.000 0.800 382 N CB 0.434 38.360 38.487 -0.935 0.000 1.035 382 N HN 0.366 nan 8.380 nan 0.000 0.498 383 L N 1.299 122.470 121.223 -0.087 0.000 2.042 383 L HA -0.156 4.198 4.340 0.023 0.000 0.210 383 L C 1.106 178.072 176.870 0.159 0.000 1.076 383 L CA 1.280 56.146 54.840 0.044 0.000 0.749 383 L CB -0.146 41.935 42.059 0.037 0.000 0.893 383 L HN 0.641 nan 8.230 nan 0.000 0.432 384 A N -0.982 121.856 122.820 0.029 0.000 2.547 384 A HA 0.748 5.082 4.320 0.023 0.000 0.297 384 A C -1.164 176.390 177.584 -0.050 0.000 1.056 384 A CA -0.488 51.560 52.037 0.018 0.000 0.688 384 A CB 1.429 20.435 19.000 0.011 0.000 1.282 384 A HN 0.013 nan 8.150 nan 0.000 0.400 385 L N 1.123 122.330 121.223 -0.026 0.000 2.341 385 L HA 0.512 4.865 4.340 0.023 0.000 0.254 385 L C -0.133 176.742 176.870 0.009 0.000 1.040 385 L CA -1.259 53.572 54.840 -0.015 0.000 0.837 385 L CB 2.252 44.296 42.059 -0.025 0.000 1.425 385 L HN 0.963 nan 8.230 nan 0.000 0.414 386 N N -0.237 118.471 118.700 0.013 0.000 2.413 386 N HA 0.307 5.060 4.740 0.023 0.000 0.266 386 N C -2.376 173.119 175.510 -0.025 0.000 1.238 386 N CA -1.841 51.209 53.050 0.001 0.000 0.972 386 N CB -0.168 38.317 38.487 -0.004 0.000 1.210 386 N HN 0.181 nan 8.380 nan 0.000 0.547 387 P HA -0.079 nan 4.420 nan 0.000 0.231 387 P C 0.531 177.758 177.300 -0.122 0.000 1.158 387 P CA 1.114 64.180 63.100 -0.058 0.000 0.763 387 P CB 0.182 31.862 31.700 -0.033 0.000 0.805 388 E N -1.028 119.056 120.200 -0.193 0.000 2.340 388 E HA 0.099 4.463 4.350 0.023 0.000 0.194 388 E C 0.924 177.231 176.600 -0.488 0.000 0.996 388 E CA 0.603 56.766 56.400 -0.395 0.000 0.869 388 E CB -0.083 29.298 29.700 -0.531 0.000 0.835 388 E HN 0.157 nan 8.360 nan 0.000 0.493 389 G N 0.288 108.960 108.800 -0.214 0.000 2.135 389 G HA2 -0.158 3.815 3.960 0.023 0.000 0.183 389 G HA3 -0.158 3.815 3.960 0.023 0.000 0.183 389 G C 0.167 175.253 174.900 0.311 0.000 1.004 389 G CA -0.010 45.116 45.100 0.043 0.000 0.677 389 G HN 0.541 nan 8.290 nan 0.000 0.512 390 G N -0.821 108.076 108.800 0.162 0.000 3.247 390 G HA2 0.834 4.808 3.960 0.023 0.000 0.226 390 G HA3 0.834 4.808 3.960 0.023 0.000 0.226 390 G C -3.020 172.013 174.900 0.221 0.000 1.220 390 G CA -0.870 44.459 45.100 0.382 0.000 0.875 390 G HN 0.144 nan 8.290 nan 0.000 0.606 391 P HA 0.159 nan 4.420 nan 0.000 0.268 391 P C -0.865 176.556 177.300 0.202 0.000 1.204 391 P CA -0.040 63.193 63.100 0.221 0.000 0.768 391 P CB 0.625 32.413 31.700 0.147 0.000 0.842 392 N N 3.056 121.826 118.700 0.117 0.000 2.549 392 N HA 0.054 4.808 4.740 0.023 0.000 0.281 392 N C 0.885 176.224 175.510 -0.285 0.000 1.084 392 N CA -0.726 52.112 53.050 -0.352 0.000 0.862 392 N CB 0.828 38.796 38.487 -0.866 0.000 1.333 392 N HN 0.501 nan 8.380 nan 0.000 0.523 393 W N 3.786 124.936 121.300 -0.249 0.000 2.359 393 W HA -0.019 4.654 4.660 0.023 0.000 0.275 393 W C -0.166 176.243 176.519 -0.184 0.000 1.217 393 W CA 0.379 57.631 57.345 -0.155 0.000 1.196 393 W CB -0.552 28.846 29.460 -0.104 0.000 1.129 393 W HN 0.286 nan 8.180 nan 0.000 0.566 394 V N 1.786 121.053 119.914 -1.079 0.000 3.578 394 V HA 0.219 4.353 4.120 0.023 0.000 0.290 394 V C 1.239 176.902 176.094 -0.718 0.000 1.376 394 V CA 0.249 61.920 62.300 -1.048 0.000 1.083 394 V CB -0.626 30.378 31.823 -1.365 0.000 0.911 394 V HN 0.191 nan 8.190 nan 0.000 0.433 395 R N 0.481 120.478 120.500 -0.840 0.000 3.872 395 R HA -0.192 4.162 4.340 0.023 0.000 0.341 395 R C 0.673 176.220 176.300 -1.255 0.000 1.172 395 R CA 0.997 56.362 56.100 -1.225 0.000 0.901 395 R CB -2.334 27.599 30.300 -0.611 0.000 1.422 395 R HN 0.603 nan 8.270 nan 0.000 0.523 396 N N 1.032 119.141 118.700 -0.985 0.000 3.259 396 N HA 0.055 4.808 4.740 0.023 0.000 0.308 396 N C -0.589 174.732 175.510 -0.314 0.000 1.334 396 N CA -0.246 52.474 53.050 -0.549 0.000 1.202 396 N CB 0.135 38.351 38.487 -0.451 0.000 1.485 396 N HN -0.002 nan 8.380 nan 0.000 0.549 397 F N 0.683 120.631 119.950 -0.003 0.000 2.518 397 F HA 0.139 4.679 4.527 0.023 0.000 0.359 397 F C 1.044 176.977 175.800 0.221 0.000 1.118 397 F CA -0.551 57.535 58.000 0.144 0.000 1.287 397 F CB 0.402 39.446 39.000 0.074 0.000 1.132 397 F HN -0.124 nan 8.300 nan 0.000 0.587 398 V N -1.513 118.694 119.914 0.488 0.000 3.156 398 V HA 0.613 4.747 4.120 0.023 0.000 0.310 398 V C -0.833 175.368 176.094 0.179 0.000 1.234 398 V CA -1.030 61.457 62.300 0.311 0.000 1.065 398 V CB 1.846 33.885 31.823 0.361 0.000 1.088 398 V HN 0.541 nan 8.190 nan 0.000 0.451 399 D N 0.139 120.608 120.400 0.116 0.000 2.387 399 D HA 0.691 5.345 4.640 0.023 0.000 0.251 399 D C -0.541 175.781 176.300 0.036 0.000 1.141 399 D CA 0.292 54.319 54.000 0.046 0.000 0.987 399 D CB 1.937 42.739 40.800 0.002 0.000 1.116 399 D HN 0.907 nan 8.370 nan 0.000 0.491 400 S N -0.226 115.481 115.700 0.012 0.000 2.556 400 S HA 0.469 4.952 4.470 0.023 0.000 0.271 400 S C -2.290 172.343 174.600 0.056 0.000 1.135 400 S CA -1.276 56.944 58.200 0.034 0.000 0.858 400 S CB 1.761 64.957 63.200 -0.008 0.000 1.114 400 S HN 0.090 nan 8.310 nan 0.000 0.468 401 P HA 0.181 nan 4.420 nan 0.000 0.222 401 P C -0.395 177.001 177.300 0.159 0.000 1.147 401 P CA 0.994 64.197 63.100 0.171 0.000 0.790 401 P CB 0.049 31.947 31.700 0.331 0.000 0.780 402 I N -0.114 120.541 120.570 0.142 0.000 2.466 402 I HA 0.254 4.438 4.170 0.023 0.000 0.289 402 I C -0.521 175.639 176.117 0.072 0.000 1.026 402 I CA -0.950 60.392 61.300 0.070 0.000 1.078 402 I CB 2.229 40.207 38.000 -0.037 0.000 1.249 402 I HN -0.293 nan 8.210 nan 0.000 0.429 403 I N 6.956 127.589 120.570 0.106 0.000 2.362 403 I HA 0.338 4.522 4.170 0.023 0.000 0.289 403 I C -0.036 176.136 176.117 0.093 0.000 0.994 403 I CA -0.766 60.596 61.300 0.103 0.000 1.158 403 I CB 1.804 39.885 38.000 0.135 0.000 1.315 403 I HN 0.131 nan 8.210 nan 0.000 0.451 404 V N 5.512 125.453 119.914 0.045 0.000 2.383 404 V HA 0.236 4.369 4.120 0.023 0.000 0.275 404 V C 0.050 176.150 176.094 0.009 0.000 1.036 404 V CA -0.506 61.806 62.300 0.020 0.000 0.889 404 V CB 1.681 33.506 31.823 0.003 0.000 0.985 404 V HN 0.586 nan 8.190 nan 0.000 0.459 405 D N 4.474 124.849 120.400 -0.041 0.000 2.485 405 D HA 0.352 5.006 4.640 0.023 0.000 0.221 405 D C 0.942 177.241 176.300 -0.001 0.000 1.112 405 D CA -0.162 53.838 54.000 -0.001 0.000 0.911 405 D CB 1.102 41.918 40.800 0.026 0.000 1.019 405 D HN 0.452 nan 8.370 nan 0.000 0.516 406 I N 1.486 122.065 120.570 0.015 0.000 2.315 406 I HA -0.239 3.945 4.170 0.023 0.000 0.248 406 I C 2.440 178.568 176.117 0.018 0.000 1.117 406 I CA 1.212 62.522 61.300 0.016 0.000 1.404 406 I CB -0.115 37.895 38.000 0.017 0.000 1.071 406 I HN 0.414 nan 8.210 nan 0.000 0.419 407 T N -1.299 113.269 114.554 0.023 0.000 2.881 407 T HA -0.133 4.231 4.350 0.023 0.000 0.270 407 T C 1.533 176.246 174.700 0.022 0.000 1.068 407 T CA 0.914 63.029 62.100 0.024 0.000 1.131 407 T CB -0.242 68.644 68.868 0.030 0.000 0.871 407 T HN 0.357 nan 8.240 nan 0.000 0.479 408 K N 0.754 121.166 120.400 0.020 0.000 2.374 408 K HA 0.129 4.463 4.320 0.023 0.000 0.196 408 K C 0.409 177.004 176.600 -0.008 0.000 1.023 408 K CA 0.371 56.664 56.287 0.011 0.000 1.103 408 K CB 0.087 32.602 32.500 0.025 0.000 0.848 408 K HN 0.222 nan 8.250 nan 0.000 0.528 409 D N 2.445 122.844 120.400 -0.001 0.000 2.737 409 D HA -0.151 4.503 4.640 0.023 0.000 0.233 409 D C -0.673 175.621 176.300 -0.011 0.000 1.155 409 D CA 1.338 55.343 54.000 0.008 0.000 0.667 409 D CB -0.825 39.983 40.800 0.014 0.000 1.060 409 D HN 0.460 nan 8.370 nan 0.000 0.427 410 T N -1.668 112.845 114.554 -0.068 0.000 2.908 410 T HA 0.716 5.080 4.350 0.023 0.000 0.290 410 T C -0.157 174.406 174.700 -0.229 0.000 1.034 410 T CA -0.939 61.040 62.100 -0.200 0.000 1.010 410 T CB 1.472 70.169 68.868 -0.286 0.000 1.068 410 T HN 0.293 nan 8.240 nan 0.000 0.481 411 F N -0.025 119.692 119.950 -0.388 0.000 2.563 411 F HA 0.789 5.329 4.527 0.023 0.000 0.316 411 F C -1.633 173.887 175.800 -0.467 0.000 1.076 411 F CA -1.787 55.954 58.000 -0.433 0.000 0.921 411 F CB 1.158 40.020 39.000 -0.230 0.000 1.209 411 F HN 0.575 nan 8.300 nan 0.000 0.462 412 Y N 1.146 121.509 120.300 0.106 0.000 2.331 412 Y HA 0.498 5.062 4.550 0.023 0.000 0.338 412 Y C -0.343 175.580 175.900 0.039 0.000 0.992 412 Y CA -1.000 57.118 58.100 0.031 0.000 1.121 412 Y CB 1.858 40.322 38.460 0.006 0.000 1.184 412 Y HN 0.468 nan 8.280 nan 0.000 0.469 413 K N 4.050 124.537 120.400 0.145 0.000 2.281 413 K HA 0.232 4.565 4.320 0.023 0.000 0.272 413 K C -0.372 176.355 176.600 0.211 0.000 1.048 413 K CA -0.681 55.596 56.287 -0.018 0.000 0.898 413 K CB 0.873 33.140 32.500 -0.389 0.000 1.128 413 K HN 0.556 nan 8.250 nan 0.000 0.460 414 Q N 2.260 122.180 119.800 0.200 0.000 2.382 414 Q HA 0.070 4.424 4.340 0.023 0.000 0.229 414 Q C -1.697 174.538 176.000 0.391 0.000 1.006 414 Q CA -1.674 54.270 55.803 0.235 0.000 0.916 414 Q CB 0.397 29.206 28.738 0.118 0.000 1.235 414 Q HN 0.283 nan 8.270 nan 0.000 0.512 415 P HA -0.187 nan 4.420 nan 0.000 0.217 415 P C 1.248 178.738 177.300 0.317 0.000 1.148 415 P CA 1.661 65.018 63.100 0.428 0.000 0.834 415 P CB 0.102 31.961 31.700 0.266 0.000 0.783 416 M N -2.720 116.915 119.600 0.058 0.000 2.108 416 M HA -0.179 4.315 4.480 0.023 0.000 0.261 416 M C 2.008 178.369 176.300 0.102 0.000 1.066 416 M CA 1.797 57.018 55.300 -0.131 0.000 1.107 416 M CB -0.892 31.410 32.600 -0.495 0.000 1.356 416 M HN -0.097 nan 8.290 nan 0.000 0.406 417 F N 0.089 120.045 119.950 0.010 0.000 2.120 417 F HA -0.310 4.229 4.527 0.021 0.000 0.300 417 F C 1.733 177.459 175.800 -0.122 0.000 1.095 417 F CA 1.784 59.734 58.000 -0.082 0.000 1.249 417 F CB -0.250 38.570 39.000 -0.301 0.000 0.995 417 F HN 0.061 nan 8.300 nan 0.000 0.480 418 Y N -1.225 119.287 120.300 0.352 0.000 2.365 418 Y HA -0.099 4.466 4.550 0.025 0.000 0.293 418 Y C 2.687 178.723 175.900 0.227 0.000 1.119 418 Y CA 1.320 59.581 58.100 0.270 0.000 1.203 418 Y CB -0.903 37.788 38.460 0.385 0.000 1.026 418 Y HN 0.135 nan 8.280 nan 0.000 0.549 419 H N -0.221 119.018 119.070 0.282 0.000 2.321 419 H HA -0.156 4.413 4.556 0.023 0.000 0.300 419 H C 2.285 177.783 175.328 0.283 0.000 1.087 419 H CA 1.799 57.985 56.048 0.230 0.000 1.319 419 H CB -0.395 29.412 29.762 0.076 0.000 1.379 419 H HN 0.316 nan 8.280 nan 0.000 0.501 420 L N 0.094 121.501 121.223 0.306 0.000 1.990 420 L HA -0.181 4.173 4.340 0.023 0.000 0.213 420 L C 2.908 179.801 176.870 0.038 0.000 1.072 420 L CA 1.421 56.380 54.840 0.198 0.000 0.755 420 L CB -0.773 41.425 42.059 0.233 0.000 0.889 420 L HN 0.333 nan 8.230 nan 0.000 0.432 421 G N -1.816 106.882 108.800 -0.171 0.000 2.469 421 G HA2 -0.292 3.682 3.960 0.023 0.000 0.220 421 G HA3 -0.292 3.682 3.960 0.023 0.000 0.220 421 G C 1.362 176.056 174.900 -0.345 0.000 1.136 421 G CA 0.703 45.588 45.100 -0.359 0.000 0.759 421 G HN 0.458 nan 8.290 nan 0.000 0.562 422 H N -0.638 118.335 119.070 -0.161 0.000 2.489 422 H HA -0.041 4.528 4.556 0.022 0.000 0.295 422 H C 2.076 177.150 175.328 -0.423 0.000 1.082 422 H CA 1.293 57.214 56.048 -0.212 0.000 1.295 422 H CB 0.002 29.561 29.762 -0.339 0.000 1.380 422 H HN 0.501 nan 8.280 nan 0.000 0.548 423 F N 0.045 119.869 119.950 -0.209 0.000 2.298 423 F HA -0.085 4.458 4.527 0.025 0.000 0.282 423 F C 2.902 178.263 175.800 -0.732 0.000 1.045 423 F CA 0.728 58.426 58.000 -0.503 0.000 1.280 423 F CB -0.647 37.848 39.000 -0.840 0.000 1.114 423 F HN 0.018 nan 8.300 nan 0.000 0.546 424 S N 0.465 115.796 115.700 -0.615 0.000 2.383 424 S HA -0.260 4.224 4.470 0.023 0.000 0.229 424 S C 1.993 176.387 174.600 -0.343 0.000 1.030 424 S CA 1.520 59.473 58.200 -0.412 0.000 1.002 424 S CB -0.648 62.531 63.200 -0.037 0.000 0.829 424 S HN 0.371 nan 8.310 nan 0.000 0.467 425 K N 0.197 120.219 120.400 -0.630 0.000 2.097 425 K HA 0.059 4.393 4.320 0.023 0.000 0.205 425 K C 0.632 176.682 176.600 -0.916 0.000 1.050 425 K CA 1.268 56.975 56.287 -0.967 0.000 0.938 425 K CB -0.132 31.403 32.500 -1.608 0.000 0.718 425 K HN 0.582 nan 8.250 nan 0.000 0.442 426 F N -0.146 119.650 119.950 -0.257 0.000 2.688 426 F HA 0.320 4.862 4.527 0.026 0.000 0.310 426 F C -0.025 175.723 175.800 -0.086 0.000 1.098 426 F CA -0.555 57.347 58.000 -0.163 0.000 1.228 426 F CB 0.858 39.760 39.000 -0.163 0.000 1.042 426 F HN -0.194 nan 8.300 nan 0.000 0.557 427 I N 2.932 123.500 120.570 -0.004 0.000 2.595 427 I HA 0.276 4.459 4.170 0.023 0.000 0.275 427 I C -2.505 173.622 176.117 0.017 0.000 1.092 427 I CA -2.054 59.275 61.300 0.047 0.000 1.145 427 I CB 0.855 39.007 38.000 0.252 0.000 1.276 427 I HN -0.218 nan 8.210 nan 0.000 0.497 428 P HA 0.050 nan 4.420 nan 0.000 0.272 428 P C -0.117 177.177 177.300 -0.010 0.000 1.240 428 P CA -0.326 62.726 63.100 -0.080 0.000 0.791 428 P CB 0.650 32.263 31.700 -0.144 0.000 0.978 429 E N 0.295 120.494 120.200 -0.001 0.000 2.652 429 E HA 0.128 4.491 4.350 0.023 0.000 0.255 429 E C 0.926 177.522 176.600 -0.006 0.000 0.952 429 E CA 1.136 57.526 56.400 -0.017 0.000 0.947 429 E CB -0.752 28.919 29.700 -0.048 0.000 0.912 429 E HN 0.784 nan 8.360 nan 0.000 0.489 430 G N 2.996 111.802 108.800 0.009 0.000 2.184 430 G HA2 -0.228 3.746 3.960 0.023 0.000 0.206 430 G HA3 -0.228 3.746 3.960 0.023 0.000 0.206 430 G C 0.153 175.079 174.900 0.043 0.000 0.995 430 G CA 0.039 45.154 45.100 0.025 0.000 0.651 430 G HN 0.564 nan 8.290 nan 0.000 0.511 431 S N 0.104 115.836 115.700 0.053 0.000 2.572 431 S HA 0.487 4.970 4.470 0.023 0.000 0.279 431 S C 0.177 174.831 174.600 0.090 0.000 1.341 431 S CA 0.222 58.474 58.200 0.087 0.000 1.043 431 S CB 1.624 64.892 63.200 0.113 0.000 0.887 431 S HN 0.624 nan 8.310 nan 0.000 0.516 432 Q N 1.770 121.623 119.800 0.088 0.000 2.316 432 Q HA 0.344 4.697 4.340 0.023 0.000 0.264 432 Q C -0.367 175.693 176.000 0.101 0.000 0.987 432 Q CA -0.753 55.099 55.803 0.082 0.000 0.852 432 Q CB 0.960 29.725 28.738 0.045 0.000 1.287 432 Q HN 0.578 nan 8.270 nan 0.000 0.448 433 R N 3.029 123.613 120.500 0.140 0.000 2.438 433 R HA 0.371 4.725 4.340 0.023 0.000 0.287 433 R C -0.747 175.703 176.300 0.250 0.000 1.077 433 R CA -0.012 56.196 56.100 0.181 0.000 1.034 433 R CB 0.479 30.884 30.300 0.175 0.000 0.993 433 R HN 0.543 nan 8.270 nan 0.000 0.459 434 V N 0.682 120.723 119.914 0.213 0.000 3.155 434 V HA 0.734 4.868 4.120 0.023 0.000 0.313 434 V C 0.379 176.653 176.094 0.300 0.000 1.162 434 V CA -0.875 61.519 62.300 0.157 0.000 1.048 434 V CB 1.381 33.216 31.823 0.019 0.000 1.092 434 V HN 0.829 nan 8.190 nan 0.000 0.447 435 G N 0.089 109.067 108.800 0.296 0.000 2.527 435 G HA2 0.529 4.502 3.960 0.023 0.000 0.248 435 G HA3 0.529 4.502 3.960 0.023 0.000 0.248 435 G C -0.999 173.980 174.900 0.131 0.000 1.231 435 G CA -0.130 45.141 45.100 0.285 0.000 0.838 435 G HN 1.364 nan 8.290 nan 0.000 0.570 436 L N 2.209 123.487 121.223 0.090 0.000 2.617 436 L HA 0.389 4.743 4.340 0.023 0.000 0.259 436 L C -0.691 176.199 176.870 0.034 0.000 0.995 436 L CA -0.456 54.418 54.840 0.057 0.000 0.899 436 L CB 1.743 43.837 42.059 0.058 0.000 1.181 436 L HN 0.319 nan 8.230 nan 0.000 0.437 437 V N 3.709 123.641 119.914 0.030 0.000 2.465 437 V HA 0.800 4.934 4.120 0.023 0.000 0.279 437 V C 0.839 176.941 176.094 0.014 0.000 1.045 437 V CA -0.038 62.275 62.300 0.022 0.000 0.938 437 V CB 1.272 33.112 31.823 0.027 0.000 0.986 437 V HN 0.864 nan 8.190 nan 0.000 0.467 438 A N 3.419 126.247 122.820 0.013 0.000 2.309 438 A HA 0.539 4.872 4.320 0.023 0.000 0.298 438 A C 1.155 178.749 177.584 0.017 0.000 1.165 438 A CA 0.159 52.203 52.037 0.011 0.000 0.821 438 A CB 0.898 19.905 19.000 0.012 0.000 1.102 438 A HN 1.108 nan 8.150 nan 0.000 0.500 439 S N 0.974 116.685 115.700 0.019 0.000 2.527 439 S HA 0.152 4.636 4.470 0.023 0.000 0.222 439 S C 0.414 175.030 174.600 0.026 0.000 0.985 439 S CA 0.695 58.911 58.200 0.027 0.000 0.921 439 S CB -0.473 62.750 63.200 0.038 0.000 0.772 439 S HN 0.943 nan 8.310 nan 0.000 0.529 440 Q N -0.745 119.068 119.800 0.021 0.000 2.594 440 Q HA 0.442 4.795 4.340 0.023 0.000 0.278 440 Q C -1.361 174.651 176.000 0.019 0.000 0.961 440 Q CA -1.133 54.682 55.803 0.021 0.000 0.844 440 Q CB 0.810 29.560 28.738 0.021 0.000 1.475 440 Q HN 0.046 nan 8.270 nan 0.000 0.389 441 K N 0.980 121.392 120.400 0.020 0.000 2.494 441 K HA 0.096 4.430 4.320 0.023 0.000 0.273 441 K C -0.709 175.903 176.600 0.019 0.000 0.970 441 K CA 1.232 57.532 56.287 0.021 0.000 0.963 441 K CB 0.214 32.727 32.500 0.022 0.000 0.913 441 K HN 0.863 nan 8.250 nan 0.000 0.502 442 N N -0.162 118.551 118.700 0.022 0.000 3.227 442 N HA 0.116 4.869 4.740 0.023 0.000 0.241 442 N C -1.615 173.909 175.510 0.025 0.000 1.480 442 N CA -0.810 52.252 53.050 0.019 0.000 0.886 442 N CB 0.857 39.353 38.487 0.016 0.000 1.406 442 N HN 0.301 nan 8.380 nan 0.000 0.514 443 D N 0.075 120.487 120.400 0.020 0.000 2.525 443 D HA 0.251 4.904 4.640 0.023 0.000 0.229 443 D C -0.413 175.908 176.300 0.034 0.000 1.202 443 D CA 0.152 54.167 54.000 0.025 0.000 0.828 443 D CB 0.317 41.122 40.800 0.009 0.000 1.008 443 D HN 0.327 nan 8.370 nan 0.000 0.493 444 L N 0.862 122.109 121.223 0.041 0.000 2.325 444 L HA 0.349 4.703 4.340 0.023 0.000 0.278 444 L C 0.040 176.958 176.870 0.080 0.000 1.023 444 L CA -0.781 54.090 54.840 0.052 0.000 0.811 444 L CB 2.003 44.081 42.059 0.032 0.000 1.249 444 L HN -0.258 nan 8.230 nan 0.000 0.431 445 D N 2.839 123.307 120.400 0.114 0.000 2.233 445 D HA 0.606 5.260 4.640 0.023 0.000 0.240 445 D C -0.480 175.887 176.300 0.112 0.000 1.074 445 D CA -0.004 54.075 54.000 0.131 0.000 0.838 445 D CB 2.426 43.355 40.800 0.215 0.000 1.124 445 D HN 0.582 nan 8.370 nan 0.000 0.475 446 A N 1.620 124.492 122.820 0.086 0.000 2.556 446 A HA 0.733 5.067 4.320 0.023 0.000 0.294 446 A C -1.344 176.287 177.584 0.079 0.000 1.091 446 A CA -0.761 51.330 52.037 0.090 0.000 0.704 446 A CB 2.294 21.336 19.000 0.070 0.000 1.300 446 A HN 0.362 nan 8.150 nan 0.000 0.406 447 V N -0.138 119.837 119.914 0.103 0.000 2.969 447 V HA 0.796 4.930 4.120 0.023 0.000 0.304 447 V C -0.784 175.374 176.094 0.107 0.000 1.192 447 V CA 0.261 62.616 62.300 0.092 0.000 0.962 447 V CB 1.953 33.844 31.823 0.114 0.000 1.045 447 V HN 2.139 nan 8.190 nan 0.000 0.428 448 A N 5.816 128.692 122.820 0.092 0.000 2.374 448 A HA 1.029 5.363 4.320 0.023 0.000 0.317 448 A C -1.638 175.996 177.584 0.082 0.000 1.094 448 A CA -0.553 51.532 52.037 0.081 0.000 0.765 448 A CB 1.635 20.680 19.000 0.076 0.000 1.268 448 A HN 0.950 nan 8.150 nan 0.000 0.438 449 L N 0.692 121.947 121.223 0.053 0.000 2.479 449 L HA 0.652 5.006 4.340 0.023 0.000 0.255 449 L C -0.437 176.443 176.870 0.016 0.000 1.026 449 L CA -0.171 54.715 54.840 0.076 0.000 0.842 449 L CB 2.044 44.190 42.059 0.145 0.000 1.444 449 L HN 0.727 nan 8.230 nan 0.000 0.409 450 M N 0.290 119.912 119.600 0.037 0.000 2.311 450 M HA 0.460 4.954 4.480 0.023 0.000 0.325 450 M C -0.697 175.686 176.300 0.138 0.000 1.061 450 M CA -0.517 54.781 55.300 -0.003 0.000 0.957 450 M CB 1.777 34.347 32.600 -0.050 0.000 1.646 450 M HN 0.564 nan 8.290 nan 0.000 0.434 451 H N 2.087 121.137 119.070 -0.032 0.000 2.671 451 H HA 0.060 4.629 4.556 0.023 0.000 0.372 451 H C -1.555 173.769 175.328 -0.007 0.000 1.227 451 H CA -1.657 54.396 56.048 0.007 0.000 1.426 451 H CB 0.296 30.080 29.762 0.035 0.000 1.480 451 H HN 0.423 nan 8.280 nan 0.000 0.611 452 P HA -0.185 nan 4.420 nan 0.000 0.220 452 P C 0.782 178.106 177.300 0.041 0.000 1.144 452 P CA 1.446 64.586 63.100 0.066 0.000 0.800 452 P CB 0.048 31.779 31.700 0.051 0.000 0.772 453 D N -2.079 118.352 120.400 0.053 0.000 2.349 453 D HA 0.069 4.723 4.640 0.023 0.000 0.224 453 D C 1.496 177.738 176.300 -0.096 0.000 1.029 453 D CA 0.709 54.692 54.000 -0.028 0.000 0.879 453 D CB -0.751 40.023 40.800 -0.045 0.000 0.906 453 D HN 0.239 nan 8.370 nan 0.000 0.528 454 G N 0.039 108.794 108.800 -0.074 0.000 2.258 454 G HA2 -0.286 3.687 3.960 0.023 0.000 0.233 454 G HA3 -0.286 3.687 3.960 0.023 0.000 0.233 454 G C 0.505 175.287 174.900 -0.196 0.000 1.006 454 G CA 0.346 45.374 45.100 -0.119 0.000 0.620 454 G HN 0.863 nan 8.290 nan 0.000 0.511 455 S N 0.505 116.037 115.700 -0.280 0.000 2.600 455 S HA 0.750 5.233 4.470 0.023 0.000 0.265 455 S C 0.473 174.756 174.600 -0.528 0.000 1.325 455 S CA 0.722 58.685 58.200 -0.395 0.000 1.002 455 S CB 1.785 64.764 63.200 -0.369 0.000 0.921 455 S HN 1.974 nan 8.310 nan 0.000 0.554 456 A N 0.447 122.813 122.820 -0.757 0.000 2.320 456 A HA 0.792 5.125 4.320 0.023 0.000 0.334 456 A C -0.429 176.680 177.584 -0.792 0.000 1.147 456 A CA -0.770 50.707 52.037 -0.933 0.000 0.820 456 A CB 1.276 19.313 19.000 -1.605 0.000 1.218 456 A HN 1.674 nan 8.150 nan 0.000 0.482 457 V N 2.076 121.711 119.914 -0.466 0.000 2.808 457 V HA 0.712 4.845 4.120 0.023 0.000 0.308 457 V C -1.549 174.518 176.094 -0.045 0.000 1.099 457 V CA -0.350 61.848 62.300 -0.169 0.000 0.920 457 V CB 1.914 33.788 31.823 0.084 0.000 1.014 457 V HN 0.881 nan 8.190 nan 0.000 0.425 458 V N 6.457 126.427 119.914 0.093 0.000 2.623 458 V HA 0.579 4.713 4.120 0.023 0.000 0.304 458 V C -0.576 175.628 176.094 0.184 0.000 1.054 458 V CA -0.556 61.849 62.300 0.175 0.000 0.882 458 V CB 2.124 34.117 31.823 0.284 0.000 1.002 458 V HN 0.773 nan 8.190 nan 0.000 0.424 459 V N 5.086 125.060 119.914 0.100 0.000 2.459 459 V HA 0.650 4.784 4.120 0.023 0.000 0.295 459 V C -0.334 175.812 176.094 0.087 0.000 1.029 459 V CA -0.643 61.655 62.300 -0.003 0.000 0.874 459 V CB 1.905 33.552 31.823 -0.294 0.000 0.985 459 V HN 0.592 nan 8.190 nan 0.000 0.438 460 V N 5.566 125.542 119.914 0.103 0.000 2.540 460 V HA 0.564 4.697 4.120 0.023 0.000 0.302 460 V C -0.647 175.472 176.094 0.041 0.000 1.035 460 V CA -0.601 61.763 62.300 0.106 0.000 0.873 460 V CB 1.823 33.744 31.823 0.164 0.000 0.992 460 V HN 0.706 nan 8.190 nan 0.000 0.428 461 L N 4.263 125.530 121.223 0.075 0.000 2.346 461 L HA 0.729 5.083 4.340 0.023 0.000 0.276 461 L C -0.683 176.240 176.870 0.089 0.000 1.006 461 L CA -0.072 54.825 54.840 0.095 0.000 0.817 461 L CB 1.902 44.071 42.059 0.182 0.000 1.272 461 L HN 0.643 nan 8.230 nan 0.000 0.421 462 N N 3.567 122.321 118.700 0.090 0.000 2.483 462 N HA 0.410 5.163 4.740 0.023 0.000 0.267 462 N C -0.148 175.437 175.510 0.125 0.000 0.998 462 N CA -0.315 52.768 53.050 0.056 0.000 0.918 462 N CB 1.339 39.812 38.487 -0.024 0.000 1.215 462 N HN 0.740 nan 8.380 nan 0.000 0.500 463 R N 0.607 121.168 120.500 0.102 0.000 2.362 463 R HA 0.151 4.505 4.340 0.023 0.000 0.227 463 R C 0.470 176.810 176.300 0.068 0.000 0.905 463 R CA -0.108 56.095 56.100 0.172 0.000 1.067 463 R CB 0.286 30.651 30.300 0.107 0.000 1.078 463 R HN 0.594 nan 8.270 nan 0.000 0.516 464 S N -0.558 115.075 115.700 -0.112 0.000 2.693 464 S HA 0.118 4.601 4.470 0.023 0.000 0.276 464 S C 1.232 175.411 174.600 -0.702 0.000 1.192 464 S CA -0.485 57.571 58.200 -0.241 0.000 0.994 464 S CB 1.761 64.884 63.200 -0.129 0.000 1.012 464 S HN 0.123 nan 8.310 nan 0.000 0.550 465 S N -0.174 115.164 115.700 -0.603 0.000 2.489 465 S HA 0.073 4.557 4.470 0.023 0.000 0.228 465 S C 0.153 174.575 174.600 -0.298 0.000 0.995 465 S CA -0.054 57.779 58.200 -0.611 0.000 0.934 465 S CB -0.680 62.424 63.200 -0.160 0.000 0.771 465 S HN 0.741 nan 8.310 nan 0.000 0.522 466 K N 2.320 122.599 120.400 -0.202 0.000 2.227 466 K HA 0.404 4.738 4.320 0.023 0.000 0.280 466 K C -1.144 175.397 176.600 -0.097 0.000 1.041 466 K CA -0.673 55.549 56.287 -0.108 0.000 0.905 466 K CB 0.431 32.891 32.500 -0.067 0.000 1.068 466 K HN -0.006 nan 8.250 nan 0.000 0.470 467 D N 1.501 121.862 120.400 -0.064 0.000 2.506 467 D HA 0.019 4.673 4.640 0.023 0.000 0.234 467 D C -0.655 175.627 176.300 -0.031 0.000 1.143 467 D CA 0.322 54.298 54.000 -0.039 0.000 0.871 467 D CB 0.601 41.392 40.800 -0.014 0.000 1.190 467 D HN 0.079 nan 8.370 nan 0.000 0.459 468 V N 4.293 124.192 119.914 -0.024 0.000 2.419 468 V HA 0.285 4.418 4.120 0.023 0.000 0.287 468 V C -2.267 173.824 176.094 -0.004 0.000 1.017 468 V CA -1.618 60.672 62.300 -0.016 0.000 0.844 468 V CB 1.753 33.562 31.823 -0.023 0.000 1.011 468 V HN 0.445 nan 8.190 nan 0.000 0.429 469 P HA 0.411 nan 4.420 nan 0.000 0.269 469 P C -0.934 176.365 177.300 -0.002 0.000 1.209 469 P CA -0.205 62.901 63.100 0.010 0.000 0.776 469 P CB 0.910 32.619 31.700 0.016 0.000 0.876 470 L N 1.813 123.025 121.223 -0.018 0.000 2.549 470 L HA 0.517 4.871 4.340 0.023 0.000 0.259 470 L C -1.308 175.493 176.870 -0.115 0.000 0.934 470 L CA 0.085 54.890 54.840 -0.058 0.000 0.865 470 L CB 2.021 44.044 42.059 -0.060 0.000 1.352 470 L HN 0.271 nan 8.230 nan 0.000 0.410 471 T N 5.437 119.898 114.554 -0.155 0.000 2.841 471 T HA 0.694 5.058 4.350 0.023 0.000 0.283 471 T C -0.448 174.103 174.700 -0.248 0.000 1.000 471 T CA -0.226 61.732 62.100 -0.238 0.000 0.977 471 T CB 1.364 69.992 68.868 -0.400 0.000 0.979 471 T HN 0.461 nan 8.240 nan 0.000 0.446 472 I N 2.508 122.881 120.570 -0.328 0.000 2.378 472 I HA 0.428 4.612 4.170 0.023 0.000 0.291 472 I C 0.198 176.097 176.117 -0.363 0.000 0.992 472 I CA -0.789 60.316 61.300 -0.326 0.000 1.154 472 I CB 1.488 39.239 38.000 -0.415 0.000 1.315 472 I HN 0.296 nan 8.210 nan 0.000 0.448 473 K N 5.237 125.453 120.400 -0.306 0.000 2.213 473 K HA 0.249 4.582 4.320 0.023 0.000 0.270 473 K C -1.254 175.151 176.600 -0.324 0.000 1.002 473 K CA -0.476 55.513 56.287 -0.496 0.000 0.868 473 K CB 1.129 33.331 32.500 -0.496 0.000 1.093 473 K HN 0.514 nan 8.250 nan 0.000 0.454 474 D N 5.950 126.137 120.400 -0.354 0.000 2.381 474 D HA 0.254 4.907 4.640 0.023 0.000 0.235 474 D C -1.958 174.237 176.300 -0.175 0.000 1.068 474 D CA -2.468 51.472 54.000 -0.101 0.000 0.832 474 D CB 2.024 42.914 40.800 0.151 0.000 1.101 474 D HN 0.251 nan 8.370 nan 0.000 0.515 475 P HA -0.018 nan 4.420 nan 0.000 0.222 475 P C 0.865 178.133 177.300 -0.053 0.000 1.147 475 P CA 0.757 63.793 63.100 -0.107 0.000 0.790 475 P CB 0.237 31.903 31.700 -0.057 0.000 0.780 476 A N -0.804 122.014 122.820 -0.004 0.000 2.168 476 A HA 0.035 4.369 4.320 0.023 0.000 0.215 476 A C 1.858 179.457 177.584 0.025 0.000 1.152 476 A CA 1.757 53.808 52.037 0.024 0.000 0.716 476 A CB -0.848 18.186 19.000 0.055 0.000 0.794 476 A HN 0.236 nan 8.150 nan 0.000 0.465 477 V N -6.557 113.352 119.914 -0.009 0.000 3.180 477 V HA 0.622 4.756 4.120 0.023 0.000 0.246 477 V C 0.917 176.959 176.094 -0.087 0.000 1.545 477 V CA 0.859 63.149 62.300 -0.017 0.000 1.138 477 V CB -0.298 31.542 31.823 0.028 0.000 0.978 477 V HN 1.582 nan 8.190 nan 0.000 0.437 478 G N 0.858 109.527 108.800 -0.218 0.000 2.255 478 G HA2 0.127 4.100 3.960 0.023 0.000 0.216 478 G HA3 0.127 4.100 3.960 0.023 0.000 0.216 478 G C -1.300 173.277 174.900 -0.539 0.000 1.307 478 G CA -0.244 44.696 45.100 -0.267 0.000 1.162 478 G HN 0.506 nan 8.290 nan 0.000 0.494 479 F N 1.069 120.918 119.950 -0.168 0.000 2.469 479 F HA 0.729 5.268 4.527 0.021 0.000 0.332 479 F C 0.576 176.203 175.800 -0.288 0.000 1.103 479 F CA -0.876 56.980 58.000 -0.240 0.000 0.979 479 F CB 1.914 40.809 39.000 -0.174 0.000 1.137 479 F HN 0.334 nan 8.300 nan 0.000 0.463 480 L N 2.595 123.632 121.223 -0.310 0.000 2.280 480 L HA 0.508 4.861 4.340 0.023 0.000 0.287 480 L C -0.536 176.118 176.870 -0.360 0.000 1.023 480 L CA -0.557 53.992 54.840 -0.487 0.000 0.819 480 L CB 1.288 42.714 42.059 -1.056 0.000 1.212 480 L HN 0.620 nan 8.230 nan 0.000 0.420 481 E N 1.861 121.968 120.200 -0.155 0.000 2.156 481 E HA 0.539 4.903 4.350 0.023 0.000 0.279 481 E C -0.378 176.193 176.600 -0.048 0.000 0.965 481 E CA -0.034 56.318 56.400 -0.081 0.000 0.789 481 E CB 2.126 31.840 29.700 0.022 0.000 1.098 481 E HN 0.591 nan 8.360 nan 0.000 0.397 482 T N 2.193 116.709 114.554 -0.064 0.000 2.671 482 T HA 0.598 4.961 4.350 0.023 0.000 0.300 482 T C -1.490 173.249 174.700 0.065 0.000 1.238 482 T CA -0.543 61.579 62.100 0.038 0.000 1.020 482 T CB 0.678 69.564 68.868 0.029 0.000 1.503 482 T HN 0.330 nan 8.240 nan 0.000 0.497 483 I N 1.388 122.046 120.570 0.145 0.000 2.646 483 I HA 0.526 4.710 4.170 0.023 0.000 0.299 483 I C -0.222 175.974 176.117 0.130 0.000 1.036 483 I CA -0.933 60.431 61.300 0.107 0.000 1.074 483 I CB 2.271 40.327 38.000 0.094 0.000 1.258 483 I HN 0.472 nan 8.210 nan 0.000 0.430 484 S N 5.778 121.488 115.700 0.016 0.000 2.474 484 S HA 0.464 4.948 4.470 0.023 0.000 0.320 484 S C -2.471 172.079 174.600 -0.083 0.000 1.067 484 S CA -1.590 56.542 58.200 -0.114 0.000 1.127 484 S CB 0.400 63.533 63.200 -0.112 0.000 0.971 484 S HN 0.206 nan 8.310 nan 0.000 0.472 485 P HA 0.175 nan 4.420 nan 0.000 0.269 485 P C 0.311 177.576 177.300 -0.058 0.000 1.209 485 P CA -0.094 62.993 63.100 -0.022 0.000 0.776 485 P CB 0.329 32.050 31.700 0.035 0.000 0.876 486 G N 1.904 110.648 108.800 -0.093 0.000 2.414 486 G HA2 0.033 4.007 3.960 0.023 0.000 0.236 486 G HA3 0.033 4.007 3.960 0.023 0.000 0.236 486 G C -0.586 174.243 174.900 -0.118 0.000 1.293 486 G CA -0.176 44.786 45.100 -0.230 0.000 0.869 486 G HN 0.613 nan 8.290 nan 0.000 0.556 487 Y N -0.256 120.109 120.300 0.108 0.000 3.125 487 Y HA -0.260 4.304 4.550 0.024 0.000 0.200 487 Y C 1.217 177.216 175.900 0.164 0.000 1.373 487 Y CA 0.392 58.612 58.100 0.200 0.000 1.180 487 Y CB -1.958 36.484 38.460 -0.030 0.000 1.381 487 Y HN 0.940 nan 8.280 nan 0.000 0.501 488 S N -0.184 115.716 115.700 0.333 0.000 2.667 488 S HA 0.912 5.396 4.470 0.023 0.000 0.292 488 S C -0.762 173.989 174.600 0.252 0.000 1.126 488 S CA -0.889 57.481 58.200 0.284 0.000 0.881 488 S CB 3.435 66.659 63.200 0.041 0.000 1.132 488 S HN 0.421 nan 8.310 nan 0.000 0.492 489 I N 0.598 121.251 120.570 0.138 0.000 2.656 489 I HA 0.504 4.688 4.170 0.023 0.000 0.292 489 I C -1.638 174.401 176.117 -0.130 0.000 1.144 489 I CA -0.551 60.669 61.300 -0.134 0.000 1.038 489 I CB 1.897 39.663 38.000 -0.391 0.000 1.244 489 I HN 0.916 nan 8.210 nan 0.000 0.420 490 H N 4.200 123.095 119.070 -0.291 0.000 2.637 490 H HA 0.446 5.009 4.556 0.011 0.000 0.363 490 H C -1.099 174.080 175.328 -0.247 0.000 1.131 490 H CA -0.947 54.939 56.048 -0.271 0.000 1.183 490 H CB 2.386 31.971 29.762 -0.296 0.000 1.637 490 H HN 0.393 nan 8.280 nan 0.000 0.531 491 T N 3.189 117.703 114.554 -0.068 0.000 2.791 491 T HA 0.231 4.595 4.350 0.023 0.000 0.288 491 T C -0.824 173.713 174.700 -0.271 0.000 0.999 491 T CA -0.660 61.366 62.100 -0.124 0.000 0.952 491 T CB 0.191 68.956 68.868 -0.171 0.000 0.938 491 T HN 0.298 nan 8.240 nan 0.000 0.444 492 Y N 2.801 123.155 120.300 0.089 0.000 2.320 492 Y HA 0.627 5.185 4.550 0.013 0.000 0.334 492 Y C 0.006 176.026 175.900 0.200 0.000 1.055 492 Y CA -1.139 57.075 58.100 0.191 0.000 1.143 492 Y CB 0.841 39.432 38.460 0.218 0.000 1.193 492 Y HN 0.424 nan 8.280 nan 0.000 0.477 493 L N 3.583 125.031 121.223 0.375 0.000 2.386 493 L HA 0.625 4.979 4.340 0.023 0.000 0.271 493 L C -1.187 175.971 176.870 0.480 0.000 0.993 493 L CA -0.656 54.324 54.840 0.232 0.000 0.819 493 L CB 1.527 43.635 42.059 0.082 0.000 1.294 493 L HN 0.775 nan 8.230 nan 0.000 0.414 494 W N 0.219 121.606 121.300 0.144 0.000 3.213 494 W HA 0.616 5.292 4.660 0.026 0.000 0.318 494 W C -1.057 175.613 176.519 0.253 0.000 1.248 494 W CA -0.809 56.646 57.345 0.184 0.000 1.187 494 W CB 0.410 29.971 29.460 0.168 0.000 1.403 494 W HN 0.280 nan 8.180 nan 0.000 0.556 495 H N 1.541 120.757 119.070 0.244 0.000 2.615 495 H HA 0.416 4.986 4.556 0.023 0.000 0.363 495 H C 0.925 176.381 175.328 0.214 0.000 1.148 495 H CA -0.420 55.700 56.048 0.119 0.000 1.401 495 H CB 1.478 31.299 29.762 0.099 0.000 1.461 495 H HN 0.525 nan 8.280 nan 0.000 0.588 496 R N 0.335 120.926 120.500 0.152 0.000 2.307 496 R HA 0.080 4.433 4.340 0.023 0.000 0.200 496 R C -0.301 176.070 176.300 0.117 0.000 0.893 496 R CA 0.142 56.340 56.100 0.164 0.000 1.042 496 R CB 0.617 30.943 30.300 0.044 0.000 1.059 496 R HN 0.739 nan 8.270 nan 0.000 0.530 497 Q N 0.000 119.851 119.800 0.084 0.000 2.315 497 Q HA 0.000 4.354 4.340 0.023 0.000 0.214 497 Q CA 0.000 55.838 55.803 0.058 0.000 1.022 497 Q CB 0.000 28.756 28.738 0.029 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481