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 1y7v_1_A 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 0.000 177.559 177.584 -0.042 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 2 R N 0.654 121.100 120.500 -0.089 0.000 2.515 2 R HA 0.483 4.819 4.340 -0.006 0.000 0.278 2 R C -3.215 173.039 176.300 -0.076 0.000 1.107 2 R CA -1.510 54.531 56.100 -0.098 0.000 0.945 2 R CB 2.776 32.877 30.300 -0.331 0.000 1.219 2 R HN 0.234 nan 8.270 nan 0.000 0.434 3 P HA 0.135 nan 4.420 nan 0.000 0.282 3 P C -0.231 177.127 177.300 0.095 0.000 1.287 3 P CA -0.623 62.494 63.100 0.028 0.000 0.792 3 P CB 0.784 32.504 31.700 0.033 0.000 1.163 4 c N 1.686 120.307 118.600 0.035 0.000 2.576 4 c HA 0.305 4.871 4.570 -0.006 0.000 0.401 4 c C 0.528 174.653 174.090 0.058 0.000 1.314 4 c CA -0.644 55.716 56.329 0.051 0.000 1.855 4 c CB -2.037 40.452 42.510 -0.035 0.000 2.537 4 c HN 0.235 nan 8.230 nan 0.000 0.578 5 I N 9.718 130.336 120.570 0.080 0.000 2.294 5 I HA 0.282 4.448 4.170 -0.006 0.000 0.295 5 I C -1.429 174.694 176.117 0.010 0.000 1.098 5 I CA -2.344 58.946 61.300 -0.017 0.000 1.277 5 I CB 0.367 38.301 38.000 -0.110 0.000 1.434 5 I HN 0.603 nan 8.210 nan 0.000 0.498 6 P HA 0.259 nan 4.420 nan 0.000 0.274 6 P C -0.701 176.597 177.300 -0.003 0.000 1.246 6 P CA -0.535 62.572 63.100 0.012 0.000 0.795 6 P CB 1.554 33.250 31.700 -0.008 0.000 1.006 7 K N 0.195 120.603 120.400 0.013 0.000 2.575 7 K HA 0.367 4.683 4.320 -0.006 0.000 0.255 7 K C -1.297 175.273 176.600 -0.051 0.000 0.953 7 K CA -0.471 55.774 56.287 -0.069 0.000 0.840 7 K CB 1.383 33.835 32.500 -0.079 0.000 1.303 7 K HN 0.384 nan 8.250 nan 0.000 0.438 8 S N 3.298 118.911 115.700 -0.145 0.000 2.578 8 S HA 0.560 5.026 4.470 -0.006 0.000 0.283 8 S C -0.471 174.011 174.600 -0.197 0.000 1.195 8 S CA -0.482 57.682 58.200 -0.059 0.000 1.050 8 S CB 0.395 63.559 63.200 -0.060 0.000 1.012 8 S HN 0.540 nan 8.310 nan 0.000 0.511 9 F N 2.137 122.053 119.950 -0.057 0.000 2.735 9 F HA 0.410 4.933 4.527 -0.006 0.000 0.308 9 F C 1.549 177.201 175.800 -0.247 0.000 1.112 9 F CA 0.140 58.084 58.000 -0.094 0.000 1.235 9 F CB 0.903 39.891 39.000 -0.021 0.000 1.027 9 F HN 0.910 nan 8.300 nan 0.000 0.528 10 G N -0.485 108.239 108.800 -0.126 0.000 2.148 10 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.203 10 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.203 10 G C -0.296 174.292 174.900 -0.520 0.000 0.993 10 G CA -0.471 44.422 45.100 -0.345 0.000 0.661 10 G HN 0.335 nan 8.290 nan 0.000 0.518 11 Y N -0.043 120.302 120.300 0.074 0.000 2.659 11 Y HA 0.499 5.045 4.550 -0.006 0.000 0.333 11 Y C 2.006 177.941 175.900 0.058 0.000 1.064 11 Y CA -0.231 57.908 58.100 0.064 0.000 1.141 11 Y CB 1.147 39.652 38.460 0.075 0.000 1.316 11 Y HN 0.239 nan 8.280 nan 0.000 0.509 12 S N -0.940 114.898 115.700 0.229 0.000 2.428 12 S HA -0.177 4.290 4.470 -0.006 0.000 0.240 12 S C 0.756 175.414 174.600 0.097 0.000 1.036 12 S CA 1.544 59.814 58.200 0.117 0.000 1.009 12 S CB -0.304 62.955 63.200 0.099 0.000 0.803 12 S HN 0.519 nan 8.310 nan 0.000 0.486 13 S N -0.932 114.883 115.700 0.191 0.000 2.840 13 S HA 0.686 5.152 4.470 -0.006 0.000 0.307 13 S C -0.741 173.970 174.600 0.186 0.000 1.180 13 S CA -0.317 57.975 58.200 0.154 0.000 0.846 13 S CB 1.168 64.526 63.200 0.263 0.000 1.233 13 S HN 0.808 nan 8.310 nan 0.000 0.548 14 V N 0.602 120.614 119.914 0.163 0.000 2.975 14 V HA 0.971 5.087 4.120 -0.006 0.000 0.318 14 V C 0.086 176.311 176.094 0.218 0.000 1.077 14 V CA -0.412 61.986 62.300 0.163 0.000 1.000 14 V CB 0.993 32.867 31.823 0.085 0.000 1.066 14 V HN 0.949 nan 8.190 nan 0.000 0.452 15 V N -1.195 118.853 119.914 0.224 0.000 2.994 15 V HA 0.723 4.839 4.120 -0.006 0.000 0.318 15 V C -0.103 176.126 176.094 0.225 0.000 1.085 15 V CA -0.609 61.840 62.300 0.247 0.000 0.998 15 V CB 1.410 33.360 31.823 0.211 0.000 1.063 15 V HN 1.093 nan 8.190 nan 0.000 0.447 16 c N 2.265 121.017 118.600 0.253 0.000 2.264 16 c HA 0.650 5.217 4.570 -0.006 0.000 0.324 16 c C 0.308 174.503 174.090 0.176 0.000 1.267 16 c CA -0.682 55.759 56.329 0.186 0.000 1.618 16 c CB 0.103 42.728 42.510 0.192 0.000 2.278 16 c HN 0.753 nan 8.230 nan 0.000 0.499 17 V N 3.045 123.055 119.914 0.160 0.000 2.555 17 V HA 0.275 4.391 4.120 -0.006 0.000 0.286 17 V C 0.398 176.437 176.094 -0.092 0.000 1.044 17 V CA 0.089 62.460 62.300 0.118 0.000 1.026 17 V CB 0.383 32.289 31.823 0.139 0.000 0.981 17 V HN 1.046 nan 8.190 nan 0.000 0.480 18 c N 5.051 123.409 118.600 -0.403 0.000 2.802 18 c HA 0.817 5.383 4.570 -0.006 0.000 0.307 18 c C 0.114 173.762 174.090 -0.738 0.000 1.222 18 c CA -0.662 55.263 56.329 -0.672 0.000 1.580 18 c CB 1.669 43.350 42.510 -1.381 0.000 2.119 18 c HN 1.149 nan 8.230 nan 0.000 0.479 19 N N 0.244 118.688 118.700 -0.427 0.000 3.506 19 N HA 0.559 5.296 4.740 -0.006 0.000 0.331 19 N C 0.324 175.799 175.510 -0.058 0.000 1.631 19 N CA -0.076 52.845 53.050 -0.215 0.000 0.786 19 N CB 0.192 38.614 38.487 -0.109 0.000 2.023 19 N HN 0.490 nan 8.380 nan 0.000 0.621 20 A N -1.057 121.765 122.820 0.004 0.000 2.019 20 A HA -0.035 4.282 4.320 -0.006 0.000 0.219 20 A C 1.562 179.168 177.584 0.038 0.000 1.164 20 A CA 2.443 54.504 52.037 0.040 0.000 0.644 20 A CB -1.353 17.666 19.000 0.031 0.000 0.805 20 A HN 0.874 nan 8.150 nan 0.000 0.449 21 T N -6.003 108.574 114.554 0.038 0.000 3.010 21 T HA 0.393 4.740 4.350 -0.006 0.000 0.257 21 T C -0.060 174.704 174.700 0.106 0.000 1.020 21 T CA 0.005 62.139 62.100 0.057 0.000 0.938 21 T CB -0.156 68.743 68.868 0.052 0.000 1.049 21 T HN 0.373 nan 8.240 nan 0.000 0.522 22 Y N -0.356 119.902 120.300 -0.070 0.000 2.552 22 Y HA 0.556 5.102 4.550 -0.006 0.000 0.337 22 Y C -1.817 174.003 175.900 -0.134 0.000 1.094 22 Y CA -1.447 56.603 58.100 -0.083 0.000 1.028 22 Y CB 1.986 40.397 38.460 -0.082 0.000 1.321 22 Y HN 0.252 nan 8.280 nan 0.000 0.456 23 c N 5.770 124.003 118.600 -0.612 0.000 3.199 23 c HA 0.255 4.821 4.570 -0.006 0.000 0.392 23 c C -1.692 172.082 174.090 -0.527 0.000 1.050 23 c CA -0.954 55.151 56.329 -0.375 0.000 1.222 23 c CB 0.395 42.796 42.510 -0.182 0.000 1.595 23 c HN 0.908 nan 8.230 nan 0.000 0.560 24 D N 3.532 123.765 120.400 -0.278 0.000 2.458 24 D HA 0.343 4.979 4.640 -0.006 0.000 0.243 24 D C 0.054 176.209 176.300 -0.240 0.000 1.146 24 D CA 0.491 54.354 54.000 -0.228 0.000 0.877 24 D CB 1.066 41.826 40.800 -0.067 0.000 1.176 24 D HN 0.782 nan 8.370 nan 0.000 0.461 25 S N 0.825 116.358 115.700 -0.279 0.000 2.661 25 S HA 0.715 5.182 4.470 -0.006 0.000 0.285 25 S C -0.870 173.555 174.600 -0.291 0.000 1.138 25 S CA -1.004 57.060 58.200 -0.226 0.000 0.855 25 S CB 1.122 64.257 63.200 -0.109 0.000 1.136 25 S HN 0.349 nan 8.310 nan 0.000 0.484 26 F N 0.862 120.837 119.950 0.042 0.000 2.450 26 F HA 0.542 5.065 4.527 -0.006 0.000 0.328 26 F C 0.836 176.663 175.800 0.044 0.000 1.068 26 F CA -0.660 57.381 58.000 0.068 0.000 1.007 26 F CB 0.885 39.934 39.000 0.082 0.000 1.251 26 F HN 0.517 nan 8.300 nan 0.000 0.492 27 D N 0.597 121.158 120.400 0.268 0.000 2.388 27 D HA 0.297 4.933 4.640 -0.006 0.000 0.254 27 D C -2.320 174.066 176.300 0.143 0.000 1.111 27 D CA -1.217 52.874 54.000 0.152 0.000 0.993 27 D CB 0.557 41.429 40.800 0.119 0.000 1.118 27 D HN 0.098 nan 8.370 nan 0.000 0.502 28 P HA 0.133 nan 4.420 nan 0.000 0.267 28 P C -2.415 174.917 177.300 0.052 0.000 1.200 28 P CA -0.541 62.593 63.100 0.058 0.000 0.772 28 P CB -0.184 31.543 31.700 0.045 0.000 0.855 29 P HA 0.092 nan 4.420 nan 0.000 0.264 29 P C -0.616 176.668 177.300 -0.027 0.000 1.193 29 P CA 0.579 63.657 63.100 -0.037 0.000 0.763 29 P CB 0.390 32.004 31.700 -0.144 0.000 0.810 30 T N 3.655 118.216 114.554 0.011 0.000 2.841 30 T HA 0.442 4.788 4.350 -0.006 0.000 0.283 30 T C -0.765 174.025 174.700 0.151 0.000 1.000 30 T CA -0.245 61.902 62.100 0.077 0.000 0.977 30 T CB 0.460 69.385 68.868 0.094 0.000 0.979 30 T HN 0.149 nan 8.240 nan 0.000 0.446 31 F N 5.584 125.624 119.950 0.150 0.000 2.332 31 F HA 0.322 4.845 4.527 -0.006 0.000 0.368 31 F C -1.418 174.451 175.800 0.115 0.000 1.110 31 F CA -2.386 55.757 58.000 0.237 0.000 1.087 31 F CB 1.342 40.570 39.000 0.380 0.000 1.235 31 F HN 0.355 nan 8.300 nan 0.000 0.470 32 P HA 0.058 nan 4.420 nan 0.000 0.268 32 P C -0.642 176.592 177.300 -0.111 0.000 1.208 32 P CA -0.281 62.880 63.100 0.102 0.000 0.777 32 P CB 0.972 32.751 31.700 0.131 0.000 0.875 33 A N 3.155 125.897 122.820 -0.130 0.000 2.366 33 A HA 0.207 4.524 4.320 -0.006 0.000 0.249 33 A C 0.456 177.952 177.584 -0.146 0.000 1.084 33 A CA -0.661 51.249 52.037 -0.211 0.000 0.794 33 A CB -0.227 18.706 19.000 -0.111 0.000 1.034 33 A HN 0.739 nan 8.150 nan 0.000 0.491 34 L N 1.120 122.258 121.223 -0.142 0.000 2.578 34 L HA 0.347 4.683 4.340 -0.006 0.000 0.279 34 L C 1.314 178.188 176.870 0.007 0.000 1.227 34 L CA 1.698 56.532 54.840 -0.011 0.000 0.900 34 L CB 0.257 42.321 42.059 0.008 0.000 1.144 34 L HN 1.344 nan 8.230 nan 0.000 0.496 35 G N 1.895 110.717 108.800 0.038 0.000 2.238 35 G HA2 -0.244 3.713 3.960 -0.006 0.000 0.217 35 G HA3 -0.244 3.713 3.960 -0.006 0.000 0.217 35 G C 0.188 175.101 174.900 0.020 0.000 0.996 35 G CA 0.126 45.237 45.100 0.019 0.000 0.632 35 G HN 0.917 nan 8.290 nan 0.000 0.503 36 T N -0.566 114.004 114.554 0.026 0.000 2.912 36 T HA 0.796 5.142 4.350 -0.006 0.000 0.288 36 T C -0.392 174.378 174.700 0.116 0.000 1.030 36 T CA -0.319 61.769 62.100 -0.019 0.000 1.020 36 T CB 2.380 71.200 68.868 -0.080 0.000 1.056 36 T HN 1.470 nan 8.240 nan 0.000 0.480 37 F N -0.724 119.281 119.950 0.091 0.000 2.577 37 F HA 0.874 5.397 4.527 -0.006 0.000 0.318 37 F C -0.559 175.339 175.800 0.163 0.000 1.065 37 F CA -1.289 56.828 58.000 0.194 0.000 0.929 37 F CB 1.426 40.525 39.000 0.166 0.000 1.237 37 F HN 0.572 nan 8.300 nan 0.000 0.468 38 S N 1.791 117.773 115.700 0.470 0.000 2.549 38 S HA 0.659 5.126 4.470 -0.006 0.000 0.297 38 S C -0.972 173.792 174.600 0.274 0.000 1.115 38 S CA -0.856 57.476 58.200 0.219 0.000 1.059 38 S CB 1.425 64.729 63.200 0.173 0.000 1.046 38 S HN 0.784 nan 8.310 nan 0.000 0.506 39 R N 1.958 122.446 120.500 -0.020 0.000 2.538 39 R HA 0.388 4.724 4.340 -0.006 0.000 0.292 39 R C -2.132 173.925 176.300 -0.405 0.000 1.008 39 R CA -0.449 55.490 56.100 -0.268 0.000 0.896 39 R CB 0.873 31.040 30.300 -0.223 0.000 1.187 39 R HN 0.648 nan 8.270 nan 0.000 0.440 40 Y N 2.052 122.172 120.300 -0.300 0.000 2.328 40 Y HA 0.291 4.837 4.550 -0.006 0.000 0.337 40 Y C -0.009 175.899 175.900 0.014 0.000 0.966 40 Y CA -0.460 57.572 58.100 -0.114 0.000 1.136 40 Y CB 1.800 40.182 38.460 -0.130 0.000 1.170 40 Y HN 0.541 nan 8.280 nan 0.000 0.470 41 E N 2.036 122.312 120.200 0.125 0.000 2.199 41 E HA 0.686 5.032 4.350 -0.006 0.000 0.269 41 E C -1.345 175.449 176.600 0.324 0.000 0.899 41 E CA -0.584 55.921 56.400 0.175 0.000 0.772 41 E CB 1.265 30.875 29.700 -0.150 0.000 1.155 41 E HN 0.561 nan 8.360 nan 0.000 0.408 42 S N 1.875 117.818 115.700 0.405 0.000 2.538 42 S HA 0.559 5.026 4.470 -0.006 0.000 0.288 42 S C -0.973 173.828 174.600 0.336 0.000 1.108 42 S CA -0.748 57.683 58.200 0.385 0.000 0.971 42 S CB 1.790 65.318 63.200 0.546 0.000 1.041 42 S HN 0.660 nan 8.310 nan 0.000 0.483 43 T N -0.869 113.760 114.554 0.124 0.000 2.896 43 T HA 0.489 4.836 4.350 -0.006 0.000 0.297 43 T C 0.663 174.850 174.700 -0.855 0.000 1.108 43 T CA -0.962 61.029 62.100 -0.183 0.000 1.004 43 T CB 1.688 70.509 68.868 -0.079 0.000 1.159 43 T HN 0.438 nan 8.240 nan 0.000 0.499 44 R N 0.811 120.500 120.500 -1.351 0.000 2.193 44 R HA -0.089 4.247 4.340 -0.006 0.000 0.229 44 R C 2.080 178.010 176.300 -0.616 0.000 1.110 44 R CA 1.834 56.984 56.100 -1.584 0.000 0.988 44 R CB -0.600 28.867 30.300 -1.388 0.000 0.871 44 R HN 0.816 nan 8.270 nan 0.000 0.458 45 S N -1.741 113.734 115.700 -0.375 0.000 2.481 45 S HA 0.039 4.506 4.470 -0.006 0.000 0.231 45 S C 1.368 175.882 174.600 -0.144 0.000 0.996 45 S CA 0.967 59.054 58.200 -0.188 0.000 0.942 45 S CB 0.456 63.590 63.200 -0.109 0.000 0.768 45 S HN 0.528 nan 8.310 nan 0.000 0.520 46 G N 0.398 109.099 108.800 -0.165 0.000 2.672 46 G HA2 -0.083 3.873 3.960 -0.006 0.000 0.197 46 G HA3 -0.083 3.873 3.960 -0.006 0.000 0.197 46 G C 0.037 174.900 174.900 -0.061 0.000 0.995 46 G CA -0.701 44.346 45.100 -0.088 0.000 0.754 46 G HN 0.453 nan 8.290 nan 0.000 0.505 47 R N 0.799 121.269 120.500 -0.050 0.000 2.590 47 R HA 0.546 4.883 4.340 -0.006 0.000 0.274 47 R C -0.177 176.136 176.300 0.021 0.000 1.061 47 R CA 0.129 56.227 56.100 -0.003 0.000 1.081 47 R CB 0.379 30.697 30.300 0.030 0.000 0.984 47 R HN -0.007 nan 8.270 nan 0.000 0.448 48 R N 3.965 124.460 120.500 -0.008 0.000 2.472 48 R HA 0.164 4.500 4.340 -0.006 0.000 0.294 48 R C -0.245 176.115 176.300 0.100 0.000 1.243 48 R CA -0.504 55.549 56.100 -0.079 0.000 1.023 48 R CB 1.175 31.220 30.300 -0.425 0.000 1.157 48 R HN 0.805 nan 8.270 nan 0.000 0.530 49 M N 0.867 120.650 119.600 0.305 0.000 2.175 49 M HA -0.256 4.220 4.480 -0.006 0.000 0.192 49 M C -0.540 176.019 176.300 0.432 0.000 0.473 49 M CA 1.317 56.886 55.300 0.448 0.000 0.414 49 M CB -1.273 31.701 32.600 0.623 0.000 1.069 49 M HN 0.407 nan 8.290 nan 0.000 0.933 50 E N 0.906 121.230 120.200 0.206 0.000 2.313 50 E HA 0.410 4.756 4.350 -0.006 0.000 0.276 50 E C -0.301 176.254 176.600 -0.075 0.000 1.031 50 E CA -0.691 55.752 56.400 0.072 0.000 0.857 50 E CB 1.198 30.908 29.700 0.015 0.000 1.040 50 E HN 0.294 nan 8.360 nan 0.000 0.408 51 L N 2.791 123.909 121.223 -0.175 0.000 2.292 51 L HA 0.357 4.694 4.340 -0.006 0.000 0.284 51 L C -0.558 176.146 176.870 -0.276 0.000 1.065 51 L CA 0.205 54.766 54.840 -0.466 0.000 0.806 51 L CB 1.041 42.835 42.059 -0.442 0.000 1.175 51 L HN 0.571 nan 8.230 nan 0.000 0.431 52 S N 4.779 120.303 115.700 -0.294 0.000 2.579 52 S HA 0.841 5.308 4.470 -0.006 0.000 0.272 52 S C -0.746 173.734 174.600 -0.200 0.000 1.141 52 S CA -1.005 57.084 58.200 -0.185 0.000 0.843 52 S CB 1.412 64.536 63.200 -0.126 0.000 1.122 52 S HN 0.661 nan 8.310 nan 0.000 0.468 53 M N 0.734 120.197 119.600 -0.228 0.000 2.727 53 M HA 0.816 5.292 4.480 -0.006 0.000 0.300 53 M C 0.155 176.085 176.300 -0.616 0.000 1.246 53 M CA -0.587 54.466 55.300 -0.412 0.000 0.835 53 M CB 2.537 34.964 32.600 -0.289 0.000 1.755 53 M HN 1.091 nan 8.290 nan 0.000 0.473 54 G N 0.597 108.653 108.800 -1.240 0.000 2.663 54 G HA2 0.805 4.761 3.960 -0.006 0.000 0.299 54 G HA3 0.805 4.761 3.960 -0.006 0.000 0.299 54 G C -3.359 171.091 174.900 -0.750 0.000 1.372 54 G CA -0.847 43.639 45.100 -1.024 0.000 0.781 54 G HN 0.388 nan 8.290 nan 0.000 0.491 55 P HA 0.557 nan 4.420 nan 0.000 0.299 55 P C -0.837 176.570 177.300 0.179 0.000 1.323 55 P CA -0.619 62.481 63.100 -0.001 0.000 0.896 55 P CB 2.385 34.085 31.700 0.000 0.000 1.081 56 I N 2.981 123.621 120.570 0.118 0.000 2.307 56 I HA 0.196 4.363 4.170 -0.006 0.000 0.287 56 I C 1.033 177.176 176.117 0.042 0.000 1.054 56 I CA -0.467 60.867 61.300 0.057 0.000 1.218 56 I CB 0.752 38.708 38.000 -0.073 0.000 1.398 56 I HN 0.267 nan 8.210 nan 0.000 0.475 57 Q N 4.759 124.598 119.800 0.065 0.000 2.214 57 Q HA 0.625 4.961 4.340 -0.006 0.000 0.168 57 Q C 0.672 176.728 176.000 0.092 0.000 1.047 57 Q CA -0.567 55.270 55.803 0.056 0.000 1.102 57 Q CB 0.596 29.354 28.738 0.034 0.000 1.458 57 Q HN 0.702 nan 8.270 nan 0.000 0.561 58 A N -0.620 122.231 122.820 0.053 0.000 2.585 58 A HA 0.223 4.539 4.320 -0.006 0.000 0.266 58 A C -0.322 177.221 177.584 -0.068 0.000 1.178 58 A CA -0.322 51.757 52.037 0.068 0.000 0.966 58 A CB -0.079 18.951 19.000 0.050 0.000 1.170 58 A HN 0.606 nan 8.150 nan 0.000 0.558 59 N N 0.294 118.925 118.700 -0.115 0.000 2.421 59 N HA 0.238 4.974 4.740 -0.006 0.000 0.285 59 N C -1.058 174.257 175.510 -0.325 0.000 1.027 59 N CA -0.338 52.603 53.050 -0.182 0.000 0.918 59 N CB 0.711 39.142 38.487 -0.092 0.000 1.152 59 N HN 0.484 nan 8.380 nan 0.000 0.485 60 H N 1.760 120.475 119.070 -0.592 0.000 2.628 60 H HA 0.061 4.613 4.556 -0.006 0.000 0.250 60 H C 1.098 176.245 175.328 -0.302 0.000 1.442 60 H CA -0.426 55.205 56.048 -0.695 0.000 1.282 60 H CB 0.504 29.665 29.762 -1.001 0.000 1.487 60 H HN 0.639 nan 8.280 nan 0.000 0.544 61 T N 0.918 115.468 114.554 -0.007 0.000 3.113 61 T HA 0.054 4.400 4.350 -0.006 0.000 0.263 61 T C 1.038 175.727 174.700 -0.018 0.000 1.143 61 T CA 0.321 62.400 62.100 -0.035 0.000 1.090 61 T CB -0.145 68.717 68.868 -0.010 0.000 0.922 61 T HN 0.542 nan 8.240 nan 0.000 0.521 62 G N 0.350 109.218 108.800 0.114 0.000 2.476 62 G HA2 0.455 4.411 3.960 -0.006 0.000 0.269 62 G HA3 0.455 4.411 3.960 -0.006 0.000 0.269 62 G C 0.346 175.183 174.900 -0.104 0.000 1.195 62 G CA -0.003 45.149 45.100 0.087 0.000 0.843 62 G HN 0.449 nan 8.290 nan 0.000 0.545 63 T N -1.742 112.791 114.554 -0.035 0.000 3.604 63 T HA 0.563 4.910 4.350 -0.006 0.000 0.305 63 T C 0.558 175.254 174.700 -0.006 0.000 0.978 63 T CA 0.313 62.374 62.100 -0.065 0.000 0.999 63 T CB 0.233 69.056 68.868 -0.074 0.000 1.204 63 T HN 1.020 nan 8.240 nan 0.000 0.476 64 G N 1.118 109.940 108.800 0.036 0.000 3.166 64 G HA2 0.619 4.575 3.960 -0.006 0.000 0.267 64 G HA3 0.619 4.575 3.960 -0.006 0.000 0.267 64 G C -0.843 174.090 174.900 0.055 0.000 1.256 64 G CA -1.050 44.071 45.100 0.035 0.000 0.859 64 G HN 0.472 nan 8.290 nan 0.000 0.590 65 L N 0.013 121.258 121.223 0.037 0.000 2.628 65 L HA 0.378 4.714 4.340 -0.006 0.000 0.292 65 L C -0.429 176.466 176.870 0.041 0.000 1.250 65 L CA -0.047 54.813 54.840 0.034 0.000 0.892 65 L CB 0.347 42.416 42.059 0.017 0.000 1.138 65 L HN 0.460 nan 8.230 nan 0.000 0.502 66 L N 6.431 127.679 121.223 0.041 0.000 2.376 66 L HA 0.568 4.904 4.340 -0.006 0.000 0.275 66 L C -1.433 175.427 176.870 -0.017 0.000 0.987 66 L CA -0.309 54.545 54.840 0.024 0.000 0.828 66 L CB 1.501 43.611 42.059 0.086 0.000 1.249 66 L HN 0.573 nan 8.230 nan 0.000 0.409 67 L N 4.922 126.109 121.223 -0.059 0.000 2.287 67 L HA 0.562 4.898 4.340 -0.006 0.000 0.287 67 L C -0.280 176.538 176.870 -0.087 0.000 1.022 67 L CA -0.391 54.417 54.840 -0.054 0.000 0.814 67 L CB 1.656 43.686 42.059 -0.050 0.000 1.217 67 L HN 0.596 nan 8.230 nan 0.000 0.420 68 T N 4.131 118.646 114.554 -0.065 0.000 2.772 68 T HA 0.350 4.697 4.350 -0.006 0.000 0.288 68 T C -0.141 174.541 174.700 -0.030 0.000 0.994 68 T CA -0.456 61.591 62.100 -0.089 0.000 0.951 68 T CB 1.376 70.190 68.868 -0.091 0.000 0.933 68 T HN 0.267 nan 8.240 nan 0.000 0.447 69 L N 3.549 124.771 121.223 -0.003 0.000 2.485 69 L HA 0.152 4.488 4.340 -0.006 0.000 0.275 69 L C 0.265 177.151 176.870 0.027 0.000 1.207 69 L CA 0.801 55.672 54.840 0.053 0.000 0.855 69 L CB 0.386 42.530 42.059 0.141 0.000 1.114 69 L HN 0.515 nan 8.230 nan 0.000 0.485 70 Q N 6.353 126.176 119.800 0.039 0.000 2.965 70 Q HA 0.234 4.570 4.340 -0.006 0.000 0.288 70 Q C -1.836 174.179 176.000 0.024 0.000 0.974 70 Q CA -1.518 54.301 55.803 0.027 0.000 0.849 70 Q CB 1.063 29.823 28.738 0.036 0.000 1.280 70 Q HN 0.565 nan 8.270 nan 0.000 0.441 71 P HA -0.208 nan 4.420 nan 0.000 0.218 71 P C 0.647 177.940 177.300 -0.013 0.000 1.150 71 P CA 1.353 64.457 63.100 0.005 0.000 0.841 71 P CB 0.585 32.288 31.700 0.005 0.000 0.784 72 E N -0.619 119.568 120.200 -0.021 0.000 2.435 72 E HA 0.008 4.354 4.350 -0.006 0.000 0.195 72 E C 1.048 177.598 176.600 -0.084 0.000 1.029 72 E CA 0.403 56.778 56.400 -0.041 0.000 0.865 72 E CB -0.270 29.412 29.700 -0.031 0.000 0.833 72 E HN 0.490 nan 8.360 nan 0.000 0.510 73 Q N 1.887 121.628 119.800 -0.098 0.000 2.423 73 Q HA 0.083 4.419 4.340 -0.006 0.000 0.235 73 Q C -0.423 175.361 176.000 -0.360 0.000 1.100 73 Q CA -0.033 55.633 55.803 -0.228 0.000 0.908 73 Q CB 0.585 29.245 28.738 -0.129 0.000 1.312 73 Q HN -0.157 nan 8.270 nan 0.000 0.497 74 K N 2.518 122.683 120.400 -0.392 0.000 2.118 74 K HA 0.444 4.760 4.320 -0.006 0.000 0.267 74 K C -0.227 176.061 176.600 -0.519 0.000 0.991 74 K CA -0.025 56.086 56.287 -0.294 0.000 0.916 74 K CB 0.877 33.299 32.500 -0.129 0.000 1.041 74 K HN 0.267 nan 8.250 nan 0.000 0.455 75 F N -0.144 119.824 119.950 0.029 0.000 3.208 75 F HA 0.161 4.685 4.527 -0.006 0.000 0.286 75 F C 0.849 176.684 175.800 0.058 0.000 1.532 75 F CA -0.825 57.200 58.000 0.041 0.000 1.004 75 F CB 0.106 39.105 39.000 -0.002 0.000 1.777 75 F HN 0.328 nan 8.300 nan 0.000 0.384 76 Q N 2.241 122.224 119.800 0.305 0.000 2.394 76 Q HA 0.232 4.569 4.340 -0.006 0.000 0.248 76 Q C -1.354 174.734 176.000 0.147 0.000 0.992 76 Q CA -0.099 55.819 55.803 0.192 0.000 0.888 76 Q CB 0.995 29.831 28.738 0.164 0.000 1.257 76 Q HN 0.491 nan 8.270 nan 0.000 0.462 77 K N 1.337 121.809 120.400 0.121 0.000 2.183 77 K HA 0.352 4.668 4.320 -0.006 0.000 0.274 77 K C -0.687 175.964 176.600 0.084 0.000 1.009 77 K CA -0.724 55.621 56.287 0.097 0.000 0.888 77 K CB 1.726 34.276 32.500 0.084 0.000 1.078 77 K HN 0.434 nan 8.250 nan 0.000 0.459 78 V N 4.188 124.145 119.914 0.072 0.000 2.521 78 V HA -0.032 4.084 4.120 -0.006 0.000 0.286 78 V C 1.317 177.409 176.094 -0.004 0.000 1.034 78 V CA 0.117 62.440 62.300 0.038 0.000 1.045 78 V CB 0.988 32.861 31.823 0.084 0.000 0.974 78 V HN 0.734 nan 8.190 nan 0.000 0.480 79 K N 3.938 124.316 120.400 -0.036 0.000 2.044 79 K HA 0.280 4.596 4.320 -0.006 0.000 0.204 79 K C 0.677 177.170 176.600 -0.178 0.000 1.049 79 K CA 1.509 57.730 56.287 -0.109 0.000 0.945 79 K CB -0.152 32.304 32.500 -0.075 0.000 0.724 79 K HN 0.986 nan 8.250 nan 0.000 0.440 80 G N -2.026 106.639 108.800 -0.225 0.000 2.324 80 G HA2 0.347 4.303 3.960 -0.006 0.000 0.293 80 G HA3 0.347 4.303 3.960 -0.006 0.000 0.293 80 G C -1.631 172.947 174.900 -0.536 0.000 1.297 80 G CA -0.933 44.035 45.100 -0.220 0.000 0.853 80 G HN -0.000 nan 8.290 nan 0.000 0.535 81 F N -0.220 119.668 119.950 -0.103 0.000 2.576 81 F HA 0.883 5.407 4.527 -0.006 0.000 0.313 81 F C 0.814 176.332 175.800 -0.470 0.000 1.078 81 F CA 0.452 58.332 58.000 -0.200 0.000 0.921 81 F CB 2.527 41.425 39.000 -0.170 0.000 1.232 81 F HN 1.099 nan 8.300 nan 0.000 0.459 82 G N -0.109 108.393 108.800 -0.496 0.000 2.500 82 G HA2 0.619 4.575 3.960 -0.006 0.000 0.299 82 G HA3 0.619 4.575 3.960 -0.006 0.000 0.299 82 G C -1.349 173.188 174.900 -0.605 0.000 1.242 82 G CA -0.116 44.441 45.100 -0.906 0.000 0.859 82 G HN 1.032 nan 8.290 nan 0.000 0.481 83 G N -1.715 106.938 108.800 -0.245 0.000 2.645 83 G HA2 0.770 4.727 3.960 -0.006 0.000 0.292 83 G HA3 0.770 4.727 3.960 -0.006 0.000 0.292 83 G C -1.024 173.934 174.900 0.096 0.000 1.415 83 G CA 0.448 45.541 45.100 -0.013 0.000 0.785 83 G HN 1.688 nan 8.290 nan 0.000 0.483 84 A N -0.159 122.741 122.820 0.135 0.000 2.301 84 A HA 0.633 4.950 4.320 -0.006 0.000 0.312 84 A C -0.048 177.552 177.584 0.027 0.000 1.182 84 A CA -0.543 51.588 52.037 0.157 0.000 0.826 84 A CB 1.170 20.367 19.000 0.328 0.000 1.134 84 A HN 0.785 nan 8.150 nan 0.000 0.501 85 M N 3.952 123.602 119.600 0.084 0.000 3.347 85 M HA 0.218 4.695 4.480 -0.006 0.000 0.260 85 M C 0.602 176.910 176.300 0.014 0.000 1.362 85 M CA -0.221 55.111 55.300 0.052 0.000 1.497 85 M CB -0.732 31.931 32.600 0.105 0.000 1.080 85 M HN 0.773 nan 8.290 nan 0.000 0.592 86 T N -1.482 112.997 114.554 -0.125 0.000 2.816 86 T HA 0.278 4.624 4.350 -0.006 0.000 0.282 86 T C 0.857 175.513 174.700 -0.074 0.000 0.993 86 T CA -0.604 61.395 62.100 -0.169 0.000 0.994 86 T CB 0.724 69.319 68.868 -0.455 0.000 1.025 86 T HN 0.462 nan 8.240 nan 0.000 0.529 87 D N 0.850 121.232 120.400 -0.029 0.000 2.104 87 D HA -0.104 4.532 4.640 -0.006 0.000 0.194 87 D C 2.406 178.712 176.300 0.011 0.000 0.994 87 D CA 1.877 55.893 54.000 0.026 0.000 0.830 87 D CB -0.915 39.928 40.800 0.071 0.000 0.959 87 D HN 0.745 nan 8.370 nan 0.000 0.452 88 A N 1.113 123.940 122.820 0.012 0.000 1.892 88 A HA -0.157 4.159 4.320 -0.006 0.000 0.218 88 A C 2.336 179.902 177.584 -0.030 0.000 1.188 88 A CA 2.843 54.902 52.037 0.037 0.000 0.631 88 A CB -0.911 18.173 19.000 0.138 0.000 0.822 88 A HN 0.267 nan 8.150 nan 0.000 0.447 89 A N -0.286 122.472 122.820 -0.104 0.000 1.845 89 A HA 0.154 4.470 4.320 -0.006 0.000 0.215 89 A C 2.573 180.137 177.584 -0.033 0.000 1.195 89 A CA 2.387 54.373 52.037 -0.085 0.000 0.616 89 A CB -1.265 17.667 19.000 -0.114 0.000 0.832 89 A HN 1.224 nan 8.150 nan 0.000 0.443 90 A N -0.631 122.177 122.820 -0.019 0.000 1.948 90 A HA -0.112 4.204 4.320 -0.006 0.000 0.220 90 A C 2.143 179.723 177.584 -0.006 0.000 1.177 90 A CA 1.709 53.744 52.037 -0.003 0.000 0.636 90 A CB -0.556 18.451 19.000 0.011 0.000 0.815 90 A HN 0.447 nan 8.150 nan 0.000 0.449 91 L N 0.275 121.497 121.223 -0.002 0.000 1.994 91 L HA -0.178 4.158 4.340 -0.006 0.000 0.208 91 L C 2.091 178.959 176.870 -0.003 0.000 1.071 91 L CA 2.042 56.883 54.840 0.003 0.000 0.745 91 L CB -1.418 40.650 42.059 0.016 0.000 0.892 91 L HN 0.452 nan 8.230 nan 0.000 0.431 92 N N 0.009 118.704 118.700 -0.007 0.000 2.120 92 N HA -0.165 4.571 4.740 -0.006 0.000 0.188 92 N C 1.893 177.385 175.510 -0.030 0.000 1.024 92 N CA 1.373 54.415 53.050 -0.015 0.000 0.852 92 N CB -0.071 38.405 38.487 -0.019 0.000 1.003 92 N HN 0.390 nan 8.380 nan 0.000 0.424 93 I N 1.232 121.778 120.570 -0.040 0.000 2.142 93 I HA -0.219 3.947 4.170 -0.006 0.000 0.240 93 I C 1.851 177.945 176.117 -0.039 0.000 1.078 93 I CA 0.988 62.252 61.300 -0.060 0.000 1.343 93 I CB -0.288 37.684 38.000 -0.047 0.000 1.046 93 I HN 0.025 nan 8.210 nan 0.000 0.405 94 L N 0.666 121.876 121.223 -0.021 0.000 2.622 94 L HA -0.035 4.301 4.340 -0.006 0.000 0.233 94 L C 2.156 179.022 176.870 -0.007 0.000 1.156 94 L CA 0.192 55.025 54.840 -0.013 0.000 0.866 94 L CB -0.409 41.646 42.059 -0.008 0.000 0.980 94 L HN 0.213 nan 8.230 nan 0.000 0.448 95 A N -0.554 122.261 122.820 -0.008 0.000 2.275 95 A HA 0.338 4.654 4.320 -0.006 0.000 0.212 95 A C 0.726 178.313 177.584 0.004 0.000 1.201 95 A CA -0.067 51.969 52.037 -0.001 0.000 0.843 95 A CB 0.020 19.020 19.000 0.000 0.000 0.873 95 A HN 0.242 nan 8.150 nan 0.000 0.492 96 L N 0.193 121.418 121.223 0.003 0.000 2.358 96 L HA 0.388 4.724 4.340 -0.006 0.000 0.268 96 L C 0.875 177.758 176.870 0.021 0.000 1.032 96 L CA -0.764 54.089 54.840 0.021 0.000 0.805 96 L CB 1.714 43.796 42.059 0.038 0.000 1.253 96 L HN 0.266 nan 8.230 nan 0.000 0.452 97 S N 0.271 115.990 115.700 0.030 0.000 2.562 97 S HA 0.153 4.619 4.470 -0.006 0.000 0.281 97 S C -1.914 172.703 174.600 0.028 0.000 1.333 97 S CA -0.887 57.328 58.200 0.025 0.000 1.052 97 S CB 0.888 64.103 63.200 0.026 0.000 0.884 97 S HN 0.416 nan 8.310 nan 0.000 0.506 98 P HA -0.152 nan 4.420 nan 0.000 0.219 98 P C -1.552 175.764 177.300 0.027 0.000 1.158 98 P CA 1.803 64.913 63.100 0.017 0.000 0.895 98 P CB -1.058 30.650 31.700 0.013 0.000 0.792 99 P HA -0.103 nan 4.420 nan 0.000 0.216 99 P C 1.420 178.766 177.300 0.076 0.000 1.153 99 P CA 1.896 65.023 63.100 0.044 0.000 0.844 99 P CB -0.616 31.107 31.700 0.037 0.000 0.787 100 A N -0.359 122.521 122.820 0.099 0.000 1.902 100 A HA -0.261 4.055 4.320 -0.006 0.000 0.217 100 A C 2.264 179.939 177.584 0.153 0.000 1.181 100 A CA 1.545 53.707 52.037 0.210 0.000 0.623 100 A CB -1.372 17.755 19.000 0.212 0.000 0.818 100 A HN 0.147 nan 8.150 nan 0.000 0.443 101 Q N -0.181 119.644 119.800 0.042 0.000 2.029 101 Q HA -0.223 4.113 4.340 -0.006 0.000 0.209 101 Q C 1.905 177.888 176.000 -0.029 0.000 0.999 101 Q CA 1.801 57.586 55.803 -0.030 0.000 0.857 101 Q CB -0.282 28.448 28.738 -0.013 0.000 0.926 101 Q HN 0.672 nan 8.270 nan 0.000 0.415 102 N N 0.358 119.068 118.700 0.016 0.000 2.166 102 N HA -0.123 4.614 4.740 -0.006 0.000 0.186 102 N C 1.856 177.393 175.510 0.045 0.000 1.019 102 N CA 0.931 53.997 53.050 0.027 0.000 0.856 102 N CB -0.183 38.322 38.487 0.030 0.000 0.993 102 N HN 0.247 nan 8.380 nan 0.000 0.426 103 L N 0.704 121.978 121.223 0.086 0.000 2.083 103 L HA -0.096 4.241 4.340 -0.006 0.000 0.209 103 L C 2.411 179.352 176.870 0.119 0.000 1.083 103 L CA 0.622 55.549 54.840 0.145 0.000 0.752 103 L CB -0.312 41.894 42.059 0.244 0.000 0.899 103 L HN 0.145 nan 8.230 nan 0.000 0.433 104 L N -0.430 120.720 121.223 -0.122 0.000 2.044 104 L HA -0.193 4.144 4.340 -0.006 0.000 0.205 104 L C 2.453 179.223 176.870 -0.165 0.000 1.075 104 L CA 1.240 55.750 54.840 -0.549 0.000 0.747 104 L CB -0.054 41.384 42.059 -1.035 0.000 0.903 104 L HN 0.146 nan 8.230 nan 0.000 0.435 105 L N -0.311 120.912 121.223 -0.000 0.000 2.083 105 L HA -0.236 4.101 4.340 -0.006 0.000 0.209 105 L C 2.652 179.697 176.870 0.290 0.000 1.083 105 L CA 1.378 56.351 54.840 0.220 0.000 0.752 105 L CB -0.576 41.550 42.059 0.111 0.000 0.899 105 L HN 0.257 nan 8.230 nan 0.000 0.433 106 K N -0.388 120.097 120.400 0.143 0.000 2.057 106 K HA -0.124 4.193 4.320 -0.006 0.000 0.207 106 K C 2.317 178.981 176.600 0.107 0.000 1.049 106 K CA 1.405 57.772 56.287 0.133 0.000 0.931 106 K CB -0.121 32.429 32.500 0.083 0.000 0.714 106 K HN 0.123 nan 8.250 nan 0.000 0.440 107 S N 0.029 115.751 115.700 0.037 0.000 2.402 107 S HA -0.154 4.312 4.470 -0.006 0.000 0.233 107 S C 1.651 176.265 174.600 0.023 0.000 1.030 107 S CA 1.306 59.509 58.200 0.004 0.000 1.003 107 S CB -0.177 62.879 63.200 -0.241 0.000 0.813 107 S HN 0.349 nan 8.310 nan 0.000 0.477 108 Y N -1.371 118.863 120.300 -0.111 0.000 2.301 108 Y HA 0.122 4.669 4.550 -0.006 0.000 0.295 108 Y C 1.546 176.977 175.900 -0.781 0.000 1.126 108 Y CA 0.453 58.162 58.100 -0.653 0.000 1.154 108 Y CB 0.117 38.045 38.460 -0.886 0.000 1.075 108 Y HN 0.214 nan 8.280 nan 0.000 0.534 109 F N -1.430 118.572 119.950 0.087 0.000 2.717 109 F HA 0.144 4.667 4.527 -0.006 0.000 0.295 109 F C 1.371 177.199 175.800 0.046 0.000 1.117 109 F CA -0.170 57.877 58.000 0.078 0.000 1.361 109 F CB -0.153 38.900 39.000 0.088 0.000 1.112 109 F HN -0.250 nan 8.300 nan 0.000 0.594 110 S N 0.775 116.583 115.700 0.181 0.000 2.624 110 S HA 0.063 4.529 4.470 -0.006 0.000 0.263 110 S C 1.316 175.944 174.600 0.047 0.000 1.287 110 S CA -0.294 57.973 58.200 0.112 0.000 0.990 110 S CB 0.831 64.095 63.200 0.106 0.000 0.950 110 S HN 0.501 nan 8.310 nan 0.000 0.561 111 E N 0.382 120.600 120.200 0.031 0.000 2.435 111 E HA 0.011 4.358 4.350 -0.006 0.000 0.195 111 E C 0.872 177.490 176.600 0.029 0.000 1.029 111 E CA 0.547 56.935 56.400 -0.019 0.000 0.865 111 E CB -0.165 29.522 29.700 -0.022 0.000 0.833 111 E HN 0.810 nan 8.360 nan 0.000 0.510 112 E N 1.194 121.451 120.200 0.096 0.000 2.489 112 E HA 0.138 4.485 4.350 -0.006 0.000 0.193 112 E C 0.924 177.702 176.600 0.296 0.000 1.057 112 E CA 0.249 56.760 56.400 0.184 0.000 0.866 112 E CB 0.656 30.422 29.700 0.109 0.000 0.916 112 E HN 0.333 nan 8.360 nan 0.000 0.500 113 G N 1.704 110.619 108.800 0.191 0.000 3.135 113 G HA2 0.397 4.354 3.960 -0.006 0.000 0.159 113 G HA3 0.397 4.354 3.960 -0.006 0.000 0.159 113 G C 0.427 175.342 174.900 0.025 0.000 1.244 113 G CA -0.704 44.514 45.100 0.197 0.000 0.965 113 G HN 0.195 nan 8.290 nan 0.000 0.599 114 I N -1.968 118.526 120.570 -0.127 0.000 3.856 114 I HA 0.465 4.631 4.170 -0.006 0.000 0.333 114 I C 1.165 177.111 176.117 -0.285 0.000 1.525 114 I CA 0.116 61.205 61.300 -0.353 0.000 1.173 114 I CB 0.159 37.848 38.000 -0.518 0.000 1.175 114 I HN 0.702 nan 8.210 nan 0.000 0.424 115 G N 1.523 110.210 108.800 -0.189 0.000 2.422 115 G HA2 -0.330 3.626 3.960 -0.006 0.000 0.301 115 G HA3 -0.330 3.626 3.960 -0.006 0.000 0.301 115 G C 0.099 175.023 174.900 0.040 0.000 0.981 115 G CA 0.133 45.182 45.100 -0.085 0.000 0.994 115 G HN 0.707 nan 8.290 nan 0.000 0.514 116 Y N -0.057 120.107 120.300 -0.227 0.000 2.788 116 Y HA -0.021 4.525 4.550 -0.006 0.000 0.341 116 Y C 1.666 177.557 175.900 -0.016 0.000 1.258 116 Y CA 0.498 58.471 58.100 -0.211 0.000 1.503 116 Y CB 0.521 38.609 38.460 -0.620 0.000 1.325 116 Y HN 0.515 nan 8.280 nan 0.000 0.614 117 N N 2.651 121.435 118.700 0.141 0.000 2.240 117 N HA 0.204 4.940 4.740 -0.006 0.000 0.240 117 N C -0.956 174.589 175.510 0.058 0.000 1.277 117 N CA 0.170 53.287 53.050 0.112 0.000 0.873 117 N CB 0.389 38.902 38.487 0.043 0.000 1.222 117 N HN 0.478 nan 8.380 nan 0.000 0.507 118 I N 1.128 121.743 120.570 0.075 0.000 2.607 118 I HA 0.448 4.615 4.170 -0.006 0.000 0.290 118 I C -1.130 175.073 176.117 0.143 0.000 1.129 118 I CA -0.728 60.613 61.300 0.067 0.000 1.042 118 I CB 2.553 40.570 38.000 0.029 0.000 1.242 118 I HN -0.137 nan 8.210 nan 0.000 0.421 119 I N 5.445 126.125 120.570 0.182 0.000 2.468 119 I HA 0.401 4.567 4.170 -0.006 0.000 0.285 119 I C -0.246 176.005 176.117 0.223 0.000 1.039 119 I CA -0.555 60.871 61.300 0.209 0.000 1.074 119 I CB 2.144 40.263 38.000 0.199 0.000 1.228 119 I HN 0.512 nan 8.210 nan 0.000 0.436 120 R N 5.129 125.776 120.500 0.245 0.000 2.357 120 R HA 0.659 4.996 4.340 -0.006 0.000 0.296 120 R C -1.356 175.133 176.300 0.314 0.000 1.052 120 R CA -0.329 55.952 56.100 0.301 0.000 0.988 120 R CB 1.320 31.808 30.300 0.314 0.000 1.025 120 R HN 0.434 nan 8.270 nan 0.000 0.469 121 V N 7.001 127.128 119.914 0.355 0.000 2.443 121 V HA 0.342 4.458 4.120 -0.006 0.000 0.293 121 V C -2.286 173.977 176.094 0.282 0.000 1.021 121 V CA -2.107 60.393 62.300 0.333 0.000 0.848 121 V CB 1.782 33.876 31.823 0.451 0.000 0.998 121 V HN 0.837 nan 8.190 nan 0.000 0.424 122 P HA 0.298 nan 4.420 nan 0.000 0.275 122 P C -0.189 177.176 177.300 0.108 0.000 1.227 122 P CA -0.202 63.040 63.100 0.236 0.000 0.781 122 P CB 0.464 32.113 31.700 -0.084 0.000 0.906 123 M N 3.120 122.739 119.600 0.032 0.000 2.775 123 M HA 0.402 4.879 4.480 -0.006 0.000 0.313 123 M C 0.619 176.901 176.300 -0.029 0.000 1.429 123 M CA 0.215 55.444 55.300 -0.117 0.000 1.494 123 M CB -1.096 31.297 32.600 -0.346 0.000 1.274 123 M HN 0.600 nan 8.290 nan 0.000 0.491 124 A N 1.210 123.925 122.820 -0.174 0.000 5.757 124 A HA -0.147 4.169 4.320 -0.006 0.000 0.240 124 A C 0.232 177.480 177.584 -0.561 0.000 2.324 124 A CA 0.168 51.789 52.037 -0.694 0.000 0.706 124 A CB -1.665 16.708 19.000 -1.046 0.000 0.942 124 A HN 0.832 nan 8.150 nan 0.000 0.337 125 S N -0.069 115.040 115.700 -0.985 0.000 2.610 125 S HA 0.677 5.143 4.470 -0.006 0.000 0.273 125 S C 0.526 174.871 174.600 -0.424 0.000 1.274 125 S CA 0.346 58.110 58.200 -0.726 0.000 1.023 125 S CB 0.689 63.309 63.200 -0.966 0.000 0.962 125 S HN 2.527 nan 8.310 nan 0.000 0.523 126 C N 0.512 119.573 119.300 -0.398 0.000 3.312 126 C HA 0.655 5.111 4.460 -0.006 0.000 0.368 126 C C 1.164 176.105 174.990 -0.081 0.000 2.465 126 C CA 0.009 58.724 59.018 -0.505 0.000 1.359 126 C CB 0.461 27.283 27.740 -1.529 0.000 2.896 126 C HN 0.863 nan 8.230 nan 0.000 0.470 127 D N 0.240 120.510 120.400 -0.216 0.000 2.317 127 D HA -0.042 4.595 4.640 -0.006 0.000 0.211 127 D C 0.470 176.542 176.300 -0.380 0.000 0.966 127 D CA 0.753 54.529 54.000 -0.374 0.000 0.876 127 D CB -0.366 39.685 40.800 -1.250 0.000 0.927 127 D HN 0.580 nan 8.370 nan 0.000 0.519 128 F N 1.284 121.147 119.950 -0.144 0.000 2.753 128 F HA 0.317 4.840 4.527 -0.006 0.000 0.314 128 F C 0.221 175.968 175.800 -0.089 0.000 1.215 128 F CA -0.236 57.680 58.000 -0.139 0.000 1.243 128 F CB 0.384 39.202 39.000 -0.303 0.000 1.400 128 F HN -0.260 nan 8.300 nan 0.000 0.548 129 S N 0.376 116.142 115.700 0.110 0.000 2.595 129 S HA 0.452 4.918 4.470 -0.006 0.000 0.281 129 S C 0.739 175.420 174.600 0.136 0.000 1.117 129 S CA -0.728 57.537 58.200 0.107 0.000 0.873 129 S CB 1.793 65.030 63.200 0.062 0.000 1.108 129 S HN 0.395 nan 8.310 nan 0.000 0.477 130 I N -0.755 119.869 120.570 0.091 0.000 3.883 130 I HA 0.397 4.564 4.170 -0.006 0.000 0.326 130 I C 0.345 176.468 176.117 0.009 0.000 1.283 130 I CA -0.152 61.197 61.300 0.083 0.000 1.161 130 I CB -0.203 37.830 38.000 0.055 0.000 1.012 130 I HN 0.530 nan 8.210 nan 0.000 0.421 131 R N 0.516 120.967 120.500 -0.082 0.000 2.664 131 R HA 0.427 4.764 4.340 -0.006 0.000 0.266 131 R C -0.796 175.321 176.300 -0.304 0.000 1.046 131 R CA -0.489 55.481 56.100 -0.218 0.000 0.885 131 R CB 0.510 30.754 30.300 -0.093 0.000 1.254 131 R HN 0.096 nan 8.270 nan 0.000 0.465 132 T N -0.290 113.947 114.554 -0.528 0.000 2.909 132 T HA 0.636 4.983 4.350 -0.006 0.000 0.289 132 T C -0.389 174.229 174.700 -0.136 0.000 1.005 132 T CA -0.281 61.514 62.100 -0.507 0.000 1.084 132 T CB 0.548 69.028 68.868 -0.647 0.000 0.975 132 T HN 0.771 nan 8.240 nan 0.000 0.509 133 Y N -1.441 118.710 120.300 -0.249 0.000 2.786 133 Y HA 0.563 5.110 4.550 -0.006 0.000 0.365 133 Y C -0.768 175.012 175.900 -0.201 0.000 1.171 133 Y CA -0.926 57.061 58.100 -0.189 0.000 1.214 133 Y CB 0.325 38.682 38.460 -0.172 0.000 1.411 133 Y HN 1.048 nan 8.280 nan 0.000 0.485 134 T N -2.395 112.088 114.554 -0.119 0.000 2.831 134 T HA 0.438 4.785 4.350 -0.006 0.000 0.287 134 T C -0.491 174.189 174.700 -0.034 0.000 1.070 134 T CA -0.687 61.295 62.100 -0.197 0.000 1.010 134 T CB 1.175 70.003 68.868 -0.067 0.000 1.264 134 T HN 0.776 nan 8.240 nan 0.000 0.532 135 Y N 0.059 120.411 120.300 0.086 0.000 2.529 135 Y HA 0.494 5.040 4.550 -0.006 0.000 0.290 135 Y C 1.497 177.190 175.900 -0.345 0.000 1.177 135 Y CA -0.049 57.826 58.100 -0.375 0.000 1.305 135 Y CB 0.367 38.154 38.460 -1.121 0.000 1.047 135 Y HN 0.825 nan 8.280 nan 0.000 0.522 136 A N -0.244 122.705 122.820 0.214 0.000 3.307 136 A HA 0.229 4.545 4.320 -0.006 0.000 0.289 136 A C -0.242 177.589 177.584 0.412 0.000 1.138 136 A CA -0.503 51.731 52.037 0.328 0.000 0.860 136 A CB -0.148 19.181 19.000 0.548 0.000 1.318 136 A HN 0.189 nan 8.150 nan 0.000 0.551 137 D N 0.526 121.095 120.400 0.282 0.000 2.347 137 D HA -0.010 4.627 4.640 -0.006 0.000 0.213 137 D C 0.261 176.739 176.300 0.297 0.000 0.985 137 D CA 0.858 55.032 54.000 0.290 0.000 0.879 137 D CB 0.368 41.259 40.800 0.151 0.000 0.919 137 D HN 0.446 nan 8.370 nan 0.000 0.526 138 T N 3.763 118.442 114.554 0.209 0.000 2.765 138 T HA 0.094 4.440 4.350 -0.006 0.000 0.284 138 T C -2.334 172.246 174.700 -0.201 0.000 0.946 138 T CA -0.959 61.162 62.100 0.036 0.000 1.185 138 T CB 0.937 69.818 68.868 0.022 0.000 0.887 138 T HN -0.034 nan 8.240 nan 0.000 0.532 139 P HA -0.012 nan 4.420 nan 0.000 0.266 139 P C 0.248 176.851 177.300 -1.162 0.000 1.186 139 P CA 0.144 62.780 63.100 -0.774 0.000 0.767 139 P CB 0.264 31.796 31.700 -0.280 0.000 0.820 140 D N -0.077 119.217 120.400 -1.842 0.000 2.702 140 D HA -0.228 4.409 4.640 -0.006 0.000 0.233 140 D C -0.085 175.473 176.300 -1.236 0.000 1.164 140 D CA 1.152 54.259 54.000 -1.488 0.000 0.638 140 D CB -1.349 39.229 40.800 -0.370 0.000 1.041 140 D HN 0.472 nan 8.370 nan 0.000 0.422 141 D N -0.727 118.746 120.400 -1.545 0.000 2.639 141 D HA 0.158 4.794 4.640 -0.006 0.000 0.233 141 D C 0.874 177.080 176.300 -0.157 0.000 1.161 141 D CA -0.540 53.171 54.000 -0.482 0.000 1.003 141 D CB -0.558 40.155 40.800 -0.145 0.000 1.034 141 D HN 0.047 nan 8.370 nan 0.000 0.514 142 F N 0.374 120.365 119.950 0.068 0.000 2.365 142 F HA -0.075 4.448 4.527 -0.007 0.000 0.300 142 F C 2.331 178.259 175.800 0.213 0.000 1.090 142 F CA 0.572 58.728 58.000 0.259 0.000 1.408 142 F CB 0.094 39.175 39.000 0.135 0.000 1.060 142 F HN 0.301 nan 8.300 nan 0.000 0.534 143 Q N 0.101 120.078 119.800 0.295 0.000 2.451 143 Q HA 0.091 4.427 4.340 -0.006 0.000 0.206 143 Q C 0.883 176.846 176.000 -0.062 0.000 0.947 143 Q CA 0.265 56.139 55.803 0.118 0.000 0.937 143 Q CB -0.077 28.791 28.738 0.217 0.000 1.025 143 Q HN 0.470 nan 8.270 nan 0.000 0.511 144 L N 0.976 122.286 121.223 0.146 0.000 3.677 144 L HA -0.291 4.045 4.340 -0.006 0.000 0.464 144 L C 0.327 177.242 176.870 0.075 0.000 1.278 144 L CA 0.053 55.019 54.840 0.210 0.000 0.806 144 L CB -1.704 40.496 42.059 0.236 0.000 1.610 144 L HN 0.344 nan 8.230 nan 0.000 0.867 145 H N -1.300 117.884 119.070 0.189 0.000 2.497 145 H HA 0.104 4.656 4.556 -0.006 0.000 0.282 145 H C 1.642 177.068 175.328 0.164 0.000 1.003 145 H CA 0.938 57.076 56.048 0.150 0.000 1.307 145 H CB 0.254 30.076 29.762 0.100 0.000 1.437 145 H HN 0.396 nan 8.280 nan 0.000 0.544 146 N N 0.661 119.525 118.700 0.273 0.000 2.346 146 N HA -0.023 4.713 4.740 -0.006 0.000 0.225 146 N C -0.710 174.934 175.510 0.223 0.000 1.144 146 N CA -0.033 53.143 53.050 0.210 0.000 0.837 146 N CB -0.018 38.561 38.487 0.154 0.000 1.069 146 N HN 0.186 nan 8.380 nan 0.000 0.487 147 F N 2.355 122.387 119.950 0.137 0.000 2.467 147 F HA 0.193 4.716 4.527 -0.007 0.000 0.362 147 F C 0.481 176.334 175.800 0.088 0.000 1.090 147 F CA -0.273 57.797 58.000 0.115 0.000 1.202 147 F CB 0.540 39.565 39.000 0.041 0.000 1.113 147 F HN -0.063 nan 8.300 nan 0.000 0.541 148 S N 5.806 121.348 115.700 -0.264 0.000 2.567 148 S HA 0.558 5.024 4.470 -0.006 0.000 0.270 148 S C -1.512 173.031 174.600 -0.094 0.000 1.152 148 S CA -1.210 56.960 58.200 -0.050 0.000 0.835 148 S CB 1.043 64.270 63.200 0.046 0.000 1.115 148 S HN 0.660 nan 8.310 nan 0.000 0.459 149 L N 2.697 123.933 121.223 0.021 0.000 2.276 149 L HA 0.524 4.860 4.340 -0.006 0.000 0.286 149 L C -1.700 175.231 176.870 0.103 0.000 1.061 149 L CA -1.768 53.144 54.840 0.119 0.000 0.807 149 L CB 0.881 42.965 42.059 0.042 0.000 1.177 149 L HN 0.602 nan 8.230 nan 0.000 0.429 150 P HA 0.117 nan 4.420 nan 0.000 0.289 150 P C 0.189 177.462 177.300 -0.044 0.000 1.299 150 P CA -0.408 62.672 63.100 -0.034 0.000 0.766 150 P CB 1.027 32.593 31.700 -0.225 0.000 1.226 151 E N -0.367 119.774 120.200 -0.099 0.000 2.110 151 E HA -0.204 4.142 4.350 -0.006 0.000 0.193 151 E C 1.718 178.284 176.600 -0.057 0.000 0.988 151 E CA 1.277 57.634 56.400 -0.072 0.000 0.804 151 E CB -0.151 29.501 29.700 -0.081 0.000 0.745 151 E HN 0.453 nan 8.360 nan 0.000 0.458 152 E N 0.759 120.907 120.200 -0.087 0.000 2.171 152 E HA -0.200 4.146 4.350 -0.006 0.000 0.197 152 E C 1.447 178.087 176.600 0.066 0.000 0.997 152 E CA 1.269 57.662 56.400 -0.012 0.000 0.810 152 E CB 0.023 29.731 29.700 0.013 0.000 0.738 152 E HN 0.288 nan 8.360 nan 0.000 0.467 153 D N -1.152 119.302 120.400 0.089 0.000 2.232 153 D HA -0.048 4.589 4.640 -0.006 0.000 0.220 153 D C 2.089 178.337 176.300 -0.087 0.000 0.982 153 D CA 1.875 55.931 54.000 0.094 0.000 0.892 153 D CB -0.327 40.594 40.800 0.201 0.000 1.040 153 D HN 0.300 nan 8.370 nan 0.000 0.463 154 T N -0.640 113.839 114.554 -0.125 0.000 2.881 154 T HA -0.089 4.257 4.350 -0.006 0.000 0.270 154 T C 1.843 176.505 174.700 -0.063 0.000 1.068 154 T CA 1.059 63.063 62.100 -0.160 0.000 1.131 154 T CB 0.146 68.973 68.868 -0.068 0.000 0.871 154 T HN -0.152 nan 8.240 nan 0.000 0.479 155 K N 0.049 120.427 120.400 -0.037 0.000 2.244 155 K HA 0.473 4.789 4.320 -0.006 0.000 0.200 155 K C 1.995 178.588 176.600 -0.012 0.000 1.052 155 K CA 0.401 56.677 56.287 -0.018 0.000 0.980 155 K CB 0.032 32.520 32.500 -0.020 0.000 0.838 155 K HN 0.347 nan 8.250 nan 0.000 0.481 156 L N -0.549 120.669 121.223 -0.009 0.000 2.379 156 L HA 0.138 4.474 4.340 -0.006 0.000 0.190 156 L C 1.881 178.757 176.870 0.010 0.000 1.111 156 L CA 0.487 55.328 54.840 0.002 0.000 0.820 156 L CB -0.384 41.680 42.059 0.008 0.000 1.046 156 L HN -0.090 nan 8.230 nan 0.000 0.485 157 K N 0.868 121.288 120.400 0.034 0.000 1.984 157 K HA -0.067 4.249 4.320 -0.006 0.000 0.209 157 K C 2.040 178.645 176.600 0.009 0.000 1.046 157 K CA 1.421 57.744 56.287 0.061 0.000 0.934 157 K CB -0.248 32.350 32.500 0.163 0.000 0.717 157 K HN 0.096 nan 8.250 nan 0.000 0.438 158 I N 1.051 121.584 120.570 -0.062 0.000 2.194 158 I HA -0.233 3.933 4.170 -0.006 0.000 0.246 158 I C -1.022 175.030 176.117 -0.108 0.000 1.093 158 I CA 1.278 62.456 61.300 -0.203 0.000 1.355 158 I CB -0.808 36.950 38.000 -0.404 0.000 1.046 158 I HN 0.134 nan 8.210 nan 0.000 0.413 159 P HA -0.093 nan 4.420 nan 0.000 0.220 159 P C 1.882 179.197 177.300 0.025 0.000 1.152 159 P CA 1.189 64.335 63.100 0.077 0.000 0.812 159 P CB 0.088 31.815 31.700 0.045 0.000 0.792 160 L N -1.456 119.755 121.223 -0.020 0.000 2.156 160 L HA -0.097 4.239 4.340 -0.006 0.000 0.208 160 L C 2.259 179.061 176.870 -0.114 0.000 1.095 160 L CA 1.157 55.968 54.840 -0.048 0.000 0.770 160 L CB -0.576 41.465 42.059 -0.031 0.000 0.914 160 L HN -0.044 nan 8.230 nan 0.000 0.439 161 I N -1.207 119.286 120.570 -0.129 0.000 2.233 161 I HA -0.282 3.884 4.170 -0.006 0.000 0.243 161 I C 2.612 178.605 176.117 -0.207 0.000 1.093 161 I CA 0.881 62.060 61.300 -0.202 0.000 1.380 161 I CB -0.485 37.411 38.000 -0.173 0.000 1.067 161 I HN 0.271 nan 8.210 nan 0.000 0.413 162 H N 1.165 120.183 119.070 -0.087 0.000 2.353 162 H HA -0.156 4.396 4.556 -0.006 0.000 0.298 162 H C 2.440 177.711 175.328 -0.096 0.000 1.103 162 H CA 1.560 57.563 56.048 -0.075 0.000 1.293 162 H CB -0.225 29.508 29.762 -0.049 0.000 1.372 162 H HN 0.308 nan 8.280 nan 0.000 0.501 163 R N -0.033 120.476 120.500 0.015 0.000 2.115 163 R HA 0.029 4.366 4.340 -0.006 0.000 0.226 163 R C 2.518 178.740 176.300 -0.130 0.000 1.100 163 R CA 0.838 56.915 56.100 -0.040 0.000 0.980 163 R CB 0.004 30.285 30.300 -0.032 0.000 0.875 163 R HN 0.213 nan 8.270 nan 0.000 0.445 164 A N 1.053 123.695 122.820 -0.297 0.000 1.897 164 A HA -0.047 4.270 4.320 -0.006 0.000 0.215 164 A C 2.084 179.441 177.584 -0.378 0.000 1.181 164 A CA 0.850 52.509 52.037 -0.630 0.000 0.620 164 A CB -0.371 17.750 19.000 -1.465 0.000 0.821 164 A HN 0.140 nan 8.150 nan 0.000 0.443 165 L N -0.809 120.270 121.223 -0.240 0.000 2.141 165 L HA -0.204 4.132 4.340 -0.006 0.000 0.209 165 L C 2.803 179.659 176.870 -0.023 0.000 1.094 165 L CA 1.661 56.448 54.840 -0.088 0.000 0.763 165 L CB -0.587 41.441 42.059 -0.052 0.000 0.908 165 L HN 0.580 nan 8.230 nan 0.000 0.437 166 Q N 0.353 120.139 119.800 -0.023 0.000 2.224 166 Q HA -0.132 4.204 4.340 -0.006 0.000 0.203 166 Q C 2.082 178.091 176.000 0.015 0.000 0.970 166 Q CA 1.011 56.816 55.803 0.003 0.000 0.865 166 Q CB 0.200 28.940 28.738 0.004 0.000 0.922 166 Q HN 0.556 nan 8.270 nan 0.000 0.445 167 L N -0.239 120.995 121.223 0.018 0.000 2.554 167 L HA 0.314 4.651 4.340 -0.006 0.000 0.225 167 L C 0.820 177.751 176.870 0.103 0.000 1.104 167 L CA -0.350 54.526 54.840 0.059 0.000 0.866 167 L CB -0.018 42.088 42.059 0.078 0.000 1.047 167 L HN 0.010 nan 8.230 nan 0.000 0.468 168 A N 0.689 123.577 122.820 0.113 0.000 2.546 168 A HA -0.047 4.269 4.320 -0.006 0.000 0.243 168 A C 1.283 178.927 177.584 0.101 0.000 1.063 168 A CA 0.135 52.271 52.037 0.165 0.000 0.757 168 A CB 0.454 19.555 19.000 0.169 0.000 0.991 168 A HN 0.418 nan 8.150 nan 0.000 0.503 169 Q N 2.385 122.242 119.800 0.094 0.000 1.942 169 Q HA -0.132 4.204 4.340 -0.006 0.000 0.203 169 Q C 0.794 176.816 176.000 0.036 0.000 0.987 169 Q CA 1.402 57.232 55.803 0.045 0.000 0.844 169 Q CB -0.090 28.656 28.738 0.013 0.000 0.911 169 Q HN 0.846 nan 8.270 nan 0.000 0.423 170 R N 0.852 121.375 120.500 0.038 0.000 2.674 170 R HA 0.509 4.845 4.340 -0.006 0.000 0.266 170 R C -2.543 173.781 176.300 0.040 0.000 1.016 170 R CA -2.230 53.885 56.100 0.025 0.000 1.062 170 R CB -0.349 29.954 30.300 0.004 0.000 1.142 170 R HN 0.057 nan 8.270 nan 0.000 0.517 171 P HA -0.002 nan 4.420 nan 0.000 0.266 171 P C -0.678 176.632 177.300 0.017 0.000 1.195 171 P CA -0.080 63.029 63.100 0.014 0.000 0.768 171 P CB 0.500 32.198 31.700 -0.004 0.000 0.838 172 V N 2.945 122.875 119.914 0.026 0.000 2.483 172 V HA 0.319 4.435 4.120 -0.006 0.000 0.295 172 V C 0.264 176.350 176.094 -0.013 0.000 1.035 172 V CA -0.268 62.056 62.300 0.039 0.000 0.896 172 V CB 1.764 33.645 31.823 0.096 0.000 0.986 172 V HN 0.463 nan 8.190 nan 0.000 0.447 173 S N 5.020 120.696 115.700 -0.041 0.000 2.451 173 S HA 0.662 5.128 4.470 -0.006 0.000 0.301 173 S C -0.454 174.190 174.600 0.074 0.000 1.116 173 S CA -0.512 57.668 58.200 -0.032 0.000 1.093 173 S CB 0.970 63.993 63.200 -0.296 0.000 1.017 173 S HN 0.493 nan 8.310 nan 0.000 0.482 174 L N 3.622 124.874 121.223 0.048 0.000 2.289 174 L HA 0.559 4.895 4.340 -0.006 0.000 0.285 174 L C -0.689 176.354 176.870 0.289 0.000 1.049 174 L CA -0.809 53.984 54.840 -0.078 0.000 0.804 174 L CB 1.016 42.564 42.059 -0.853 0.000 1.195 174 L HN 0.425 nan 8.230 nan 0.000 0.428 175 L N 3.829 125.299 121.223 0.412 0.000 2.356 175 L HA 0.836 5.173 4.340 -0.006 0.000 0.277 175 L C -0.404 176.729 176.870 0.439 0.000 0.996 175 L CA -0.136 54.945 54.840 0.401 0.000 0.822 175 L CB 1.559 43.806 42.059 0.313 0.000 1.256 175 L HN 0.626 nan 8.230 nan 0.000 0.413 176 A N 3.251 126.230 122.820 0.265 0.000 2.325 176 A HA 0.937 5.254 4.320 -0.006 0.000 0.333 176 A C -0.741 176.797 177.584 -0.077 0.000 1.155 176 A CA -0.434 51.597 52.037 -0.010 0.000 0.814 176 A CB 1.119 19.783 19.000 -0.560 0.000 1.206 176 A HN 0.762 nan 8.150 nan 0.000 0.482 177 S N 2.423 118.095 115.700 -0.046 0.000 2.566 177 S HA 0.652 5.118 4.470 -0.006 0.000 0.273 177 S C -3.175 171.470 174.600 0.076 0.000 1.157 177 S CA -0.781 57.399 58.200 -0.034 0.000 0.938 177 S CB 2.318 65.497 63.200 -0.035 0.000 1.087 177 S HN 0.648 nan 8.310 nan 0.000 0.474 178 P HA 0.332 nan 4.420 nan 0.000 0.293 178 P C -0.034 177.402 177.300 0.227 0.000 1.291 178 P CA -0.687 62.493 63.100 0.133 0.000 0.867 178 P CB 1.375 33.067 31.700 -0.013 0.000 1.074 179 W N 0.835 122.152 121.300 0.029 0.000 2.678 179 W HA 0.049 4.706 4.660 -0.006 0.000 0.282 179 W C 0.785 177.311 176.519 0.013 0.000 1.137 179 W CA 0.728 58.114 57.345 0.068 0.000 1.515 179 W CB 0.440 29.984 29.460 0.140 0.000 1.101 179 W HN 0.262 nan 8.180 nan 0.000 0.564 180 T N -0.260 114.396 114.554 0.171 0.000 2.896 180 T HA 0.375 4.721 4.350 -0.006 0.000 0.297 180 T C -0.173 174.347 174.700 -0.300 0.000 1.108 180 T CA -0.389 61.661 62.100 -0.082 0.000 1.004 180 T CB 1.612 70.432 68.868 -0.080 0.000 1.159 180 T HN -0.055 nan 8.240 nan 0.000 0.499 181 S N 2.643 117.916 115.700 -0.712 0.000 2.745 181 S HA 0.763 5.229 4.470 -0.006 0.000 0.292 181 S C -2.820 171.310 174.600 -0.784 0.000 1.127 181 S CA -1.440 56.020 58.200 -1.233 0.000 1.007 181 S CB 0.614 62.456 63.200 -2.264 0.000 1.165 181 S HN 0.533 nan 8.310 nan 0.000 0.544 182 P HA 0.095 nan 4.420 nan 0.000 0.266 182 P C 1.062 177.943 177.300 -0.698 0.000 1.195 182 P CA 0.213 62.893 63.100 -0.700 0.000 0.768 182 P CB 0.377 31.403 31.700 -1.124 0.000 0.838 183 T N -0.792 113.539 114.554 -0.373 0.000 2.962 183 T HA -0.126 4.221 4.350 -0.006 0.000 0.270 183 T C 1.151 175.772 174.700 -0.131 0.000 1.088 183 T CA 0.612 62.579 62.100 -0.221 0.000 1.127 183 T CB -0.661 68.162 68.868 -0.074 0.000 0.883 183 T HN 0.575 nan 8.240 nan 0.000 0.493 184 W N 0.788 122.035 121.300 -0.088 0.000 3.292 184 W HA 0.397 5.053 4.660 -0.007 0.000 0.263 184 W C 0.476 177.004 176.519 0.015 0.000 1.318 184 W CA -0.583 56.739 57.345 -0.039 0.000 1.663 184 W CB -0.750 28.675 29.460 -0.060 0.000 1.114 184 W HN 0.271 nan 8.180 nan 0.000 0.706 185 L N 0.781 121.828 121.223 -0.293 0.000 2.766 185 L HA 0.237 4.573 4.340 -0.006 0.000 0.242 185 L C 0.540 177.284 176.870 -0.209 0.000 1.136 185 L CA 0.254 55.002 54.840 -0.153 0.000 0.933 185 L CB 0.048 41.770 42.059 -0.561 0.000 1.241 185 L HN -0.275 nan 8.230 nan 0.000 0.522 186 K N -0.364 119.896 120.400 -0.234 0.000 2.156 186 K HA 0.259 4.575 4.320 -0.006 0.000 0.250 186 K C 1.163 177.656 176.600 -0.178 0.000 0.955 186 K CA -0.083 56.048 56.287 -0.260 0.000 0.855 186 K CB 1.668 34.001 32.500 -0.278 0.000 1.101 186 K HN -0.105 nan 8.250 nan 0.000 0.434 187 T N -1.946 112.490 114.554 -0.196 0.000 3.007 187 T HA -0.126 4.220 4.350 -0.006 0.000 0.270 187 T C 0.973 175.614 174.700 -0.099 0.000 1.107 187 T CA 1.283 63.294 62.100 -0.149 0.000 1.118 187 T CB -0.278 68.502 68.868 -0.147 0.000 0.889 187 T HN 0.684 nan 8.240 nan 0.000 0.506 188 N N 0.420 119.062 118.700 -0.096 0.000 2.171 188 N HA 0.178 4.914 4.740 -0.006 0.000 0.212 188 N C 1.312 176.796 175.510 -0.044 0.000 1.184 188 N CA 0.365 53.377 53.050 -0.063 0.000 0.888 188 N CB -0.309 38.141 38.487 -0.063 0.000 1.038 188 N HN 0.515 nan 8.380 nan 0.000 0.517 189 G N 0.383 109.153 108.800 -0.051 0.000 2.356 189 G HA2 0.026 3.982 3.960 -0.006 0.000 0.296 189 G HA3 0.026 3.982 3.960 -0.006 0.000 0.296 189 G C -0.034 174.851 174.900 -0.025 0.000 1.022 189 G CA 0.519 45.605 45.100 -0.022 0.000 0.961 189 G HN 0.919 nan 8.290 nan 0.000 0.510 190 A N -1.353 121.437 122.820 -0.051 0.000 2.520 190 A HA 0.840 5.156 4.320 -0.006 0.000 0.298 190 A C 1.109 178.665 177.584 -0.048 0.000 1.051 190 A CA 0.259 52.278 52.037 -0.030 0.000 0.690 190 A CB 1.166 20.162 19.000 -0.007 0.000 1.281 190 A HN 1.575 nan 8.150 nan 0.000 0.402 191 V N -0.010 119.886 119.914 -0.031 0.000 2.568 191 V HA -0.087 4.030 4.120 -0.006 0.000 0.253 191 V C 0.801 176.922 176.094 0.045 0.000 1.072 191 V CA 2.303 64.587 62.300 -0.026 0.000 1.084 191 V CB -1.578 30.232 31.823 -0.023 0.000 0.676 191 V HN 1.003 nan 8.190 nan 0.000 0.469 192 N N 0.325 119.075 118.700 0.083 0.000 3.178 192 N HA 0.644 5.380 4.740 -0.006 0.000 0.352 192 N C 0.666 176.203 175.510 0.045 0.000 1.423 192 N CA 0.242 53.354 53.050 0.103 0.000 0.698 192 N CB 0.200 38.783 38.487 0.160 0.000 1.400 192 N HN 0.889 nan 8.380 nan 0.000 0.586 193 G N -0.367 108.464 108.800 0.053 0.000 2.697 193 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.240 193 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.240 193 G C -0.834 174.069 174.900 0.005 0.000 1.346 193 G CA 0.187 45.304 45.100 0.027 0.000 0.887 193 G HN 0.889 nan 8.290 nan 0.000 0.569 194 K N 0.609 120.998 120.400 -0.018 0.000 2.267 194 K HA 0.586 4.902 4.320 -0.006 0.000 0.282 194 K C 0.328 176.886 176.600 -0.070 0.000 1.078 194 K CA 0.216 56.475 56.287 -0.047 0.000 0.903 194 K CB 0.149 32.626 32.500 -0.037 0.000 1.111 194 K HN 1.649 nan 8.250 nan 0.000 0.475 195 G N 1.692 110.429 108.800 -0.104 0.000 2.655 195 G HA2 0.322 4.278 3.960 -0.006 0.000 0.296 195 G HA3 0.322 4.278 3.960 -0.006 0.000 0.296 195 G C -1.276 173.504 174.900 -0.199 0.000 1.485 195 G CA -0.600 44.419 45.100 -0.135 0.000 0.869 195 G HN 0.645 nan 8.290 nan 0.000 0.540 196 S N -0.021 115.533 115.700 -0.243 0.000 2.921 196 S HA 0.803 5.269 4.470 -0.006 0.000 0.315 196 S C -0.086 174.250 174.600 -0.439 0.000 1.087 196 S CA -0.930 57.039 58.200 -0.386 0.000 0.877 196 S CB 0.741 63.741 63.200 -0.334 0.000 1.340 196 S HN 0.676 nan 8.310 nan 0.000 0.622 197 L N 1.432 122.303 121.223 -0.587 0.000 2.417 197 L HA 0.363 4.699 4.340 -0.006 0.000 0.268 197 L C 0.400 177.106 176.870 -0.274 0.000 1.158 197 L CA -0.408 54.112 54.840 -0.533 0.000 0.819 197 L CB 0.516 42.066 42.059 -0.850 0.000 1.112 197 L HN 0.632 nan 8.230 nan 0.000 0.458 198 K N 1.577 121.770 120.400 -0.344 0.000 2.237 198 K HA 0.462 4.778 4.320 -0.006 0.000 0.270 198 K C 0.558 176.934 176.600 -0.374 0.000 1.015 198 K CA 0.354 56.319 56.287 -0.537 0.000 0.949 198 K CB 0.902 32.709 32.500 -1.155 0.000 0.976 198 K HN 0.819 nan 8.250 nan 0.000 0.472 199 G N 1.391 110.020 108.800 -0.285 0.000 2.525 199 G HA2 -0.297 3.659 3.960 -0.006 0.000 0.248 199 G HA3 -0.297 3.659 3.960 -0.006 0.000 0.248 199 G C -1.081 173.799 174.900 -0.034 0.000 1.238 199 G CA 0.042 45.100 45.100 -0.071 0.000 0.926 199 G HN 0.686 nan 8.290 nan 0.000 0.574 200 Q N -0.986 118.746 119.800 -0.115 0.000 2.421 200 Q HA 0.694 5.030 4.340 -0.006 0.000 0.280 200 Q C -3.088 172.485 176.000 -0.711 0.000 1.085 200 Q CA -2.138 53.455 55.803 -0.350 0.000 0.807 200 Q CB 2.143 30.752 28.738 -0.215 0.000 1.405 200 Q HN 0.468 nan 8.270 nan 0.000 0.419 201 P HA -0.041 nan 4.420 nan 0.000 0.261 201 P C 0.607 177.795 177.300 -0.187 0.000 1.165 201 P CA 2.169 64.957 63.100 -0.521 0.000 0.759 201 P CB 0.326 31.989 31.700 -0.061 0.000 0.772 202 G N 1.882 110.687 108.800 0.007 0.000 2.254 202 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.225 202 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.225 202 G C 0.234 175.187 174.900 0.088 0.000 1.003 202 G CA 0.316 45.450 45.100 0.057 0.000 0.622 202 G HN 0.688 nan 8.290 nan 0.000 0.507 203 D N 0.106 120.563 120.400 0.095 0.000 2.376 203 D HA 0.433 5.069 4.640 -0.006 0.000 0.268 203 D C 1.858 178.282 176.300 0.207 0.000 1.252 203 D CA -0.105 53.986 54.000 0.151 0.000 1.041 203 D CB 0.058 40.978 40.800 0.200 0.000 1.109 203 D HN 0.260 nan 8.370 nan 0.000 0.552 204 I N -1.293 119.350 120.570 0.121 0.000 2.500 204 I HA -0.186 3.980 4.170 -0.006 0.000 0.252 204 I C 1.460 177.665 176.117 0.147 0.000 1.142 204 I CA 0.623 61.934 61.300 0.019 0.000 1.451 204 I CB -0.060 37.756 38.000 -0.306 0.000 1.093 204 I HN 0.304 nan 8.210 nan 0.000 0.430 205 Y N 0.446 120.939 120.300 0.321 0.000 2.114 205 Y HA -0.292 4.255 4.550 -0.005 0.000 0.284 205 Y C 2.570 178.652 175.900 0.304 0.000 1.143 205 Y CA 2.116 60.435 58.100 0.365 0.000 1.135 205 Y CB -0.777 37.843 38.460 0.268 0.000 0.980 205 Y HN 0.248 nan 8.280 nan 0.000 0.499 206 H N -0.957 118.352 119.070 0.399 0.000 2.423 206 H HA -0.114 4.438 4.556 -0.006 0.000 0.297 206 H C 2.051 177.646 175.328 0.445 0.000 1.075 206 H CA 1.369 57.671 56.048 0.423 0.000 1.342 206 H CB -0.063 29.944 29.762 0.409 0.000 1.395 206 H HN 0.238 nan 8.280 nan 0.000 0.530 207 Q N -0.304 119.758 119.800 0.435 0.000 2.123 207 Q HA -0.051 4.285 4.340 -0.006 0.000 0.199 207 Q C 2.105 178.306 176.000 0.335 0.000 0.966 207 Q CA 1.365 57.358 55.803 0.318 0.000 0.845 207 Q CB -0.191 28.677 28.738 0.216 0.000 0.907 207 Q HN 0.474 nan 8.270 nan 0.000 0.439 208 T N 0.359 115.150 114.554 0.396 0.000 2.737 208 T HA -0.145 4.201 4.350 -0.006 0.000 0.265 208 T C 1.274 176.278 174.700 0.506 0.000 1.038 208 T CA 0.821 63.180 62.100 0.433 0.000 1.144 208 T CB -0.414 68.766 68.868 0.520 0.000 0.866 208 T HN 0.499 nan 8.240 nan 0.000 0.434 209 W N 1.695 123.126 121.300 0.219 0.000 2.335 209 W HA -0.211 4.446 4.660 -0.006 0.000 0.311 209 W C 2.589 179.386 176.519 0.463 0.000 1.213 209 W CA 0.865 58.333 57.345 0.205 0.000 1.274 209 W CB -0.183 29.300 29.460 0.039 0.000 1.148 209 W HN 0.287 nan 8.180 nan 0.000 0.498 210 A N 0.825 123.914 122.820 0.448 0.000 1.933 210 A HA -0.214 4.102 4.320 -0.006 0.000 0.218 210 A C 1.938 179.628 177.584 0.178 0.000 1.175 210 A CA 1.691 53.827 52.037 0.164 0.000 0.628 210 A CB -0.899 18.134 19.000 0.056 0.000 0.814 210 A HN 0.368 nan 8.150 nan 0.000 0.444 211 R N -2.275 118.358 120.500 0.222 0.000 2.096 211 R HA -0.155 4.182 4.340 -0.006 0.000 0.235 211 R C 2.051 178.438 176.300 0.145 0.000 1.127 211 R CA 1.512 57.703 56.100 0.152 0.000 0.968 211 R CB -0.520 29.870 30.300 0.149 0.000 0.861 211 R HN 0.728 nan 8.270 nan 0.000 0.440 212 Y N 0.469 120.842 120.300 0.121 0.000 2.241 212 Y HA -0.298 4.249 4.550 -0.005 0.000 0.286 212 Y C 1.658 177.507 175.900 -0.085 0.000 1.166 212 Y CA 1.522 59.673 58.100 0.085 0.000 1.203 212 Y CB -0.153 38.477 38.460 0.284 0.000 0.977 212 Y HN -0.071 nan 8.280 nan 0.000 0.529 213 F N -1.337 118.575 119.950 -0.064 0.000 2.113 213 F HA -0.206 4.317 4.527 -0.007 0.000 0.297 213 F C 2.335 178.047 175.800 -0.147 0.000 1.103 213 F CA 1.563 59.477 58.000 -0.142 0.000 1.248 213 F CB -1.029 37.830 39.000 -0.235 0.000 0.999 213 F HN -0.169 nan 8.300 nan 0.000 0.475 214 V N 0.114 120.064 119.914 0.059 0.000 2.343 214 V HA -0.272 3.845 4.120 -0.006 0.000 0.247 214 V C 2.452 178.441 176.094 -0.174 0.000 1.051 214 V CA 1.548 63.843 62.300 -0.007 0.000 1.036 214 V CB -0.580 31.268 31.823 0.043 0.000 0.654 214 V HN 0.198 nan 8.190 nan 0.000 0.451 215 K N -0.283 119.898 120.400 -0.365 0.000 2.063 215 K HA -0.205 4.111 4.320 -0.006 0.000 0.208 215 K C 2.056 178.199 176.600 -0.763 0.000 1.048 215 K CA 1.819 57.643 56.287 -0.771 0.000 0.928 215 K CB -0.830 30.728 32.500 -1.570 0.000 0.713 215 K HN 0.528 nan 8.250 nan 0.000 0.442 216 F N 1.799 121.310 119.950 -0.731 0.000 2.102 216 F HA -0.142 4.382 4.527 -0.006 0.000 0.298 216 F C 2.000 177.617 175.800 -0.305 0.000 1.105 216 F CA 1.243 59.001 58.000 -0.403 0.000 1.239 216 F CB -0.344 38.412 39.000 -0.406 0.000 0.991 216 F HN -0.118 nan 8.300 nan 0.000 0.474 217 L N -0.017 120.901 121.223 -0.509 0.000 2.141 217 L HA -0.190 4.146 4.340 -0.006 0.000 0.209 217 L C 2.092 178.655 176.870 -0.512 0.000 1.094 217 L CA 1.169 55.578 54.840 -0.718 0.000 0.763 217 L CB -0.797 40.658 42.059 -1.007 0.000 0.908 217 L HN 0.126 nan 8.230 nan 0.000 0.437 218 D N 0.266 120.508 120.400 -0.263 0.000 2.117 218 D HA -0.129 4.507 4.640 -0.006 0.000 0.198 218 D C 2.243 178.515 176.300 -0.047 0.000 0.982 218 D CA 1.431 55.426 54.000 -0.008 0.000 0.828 218 D CB 0.033 40.829 40.800 -0.006 0.000 0.967 218 D HN 0.305 nan 8.370 nan 0.000 0.464 219 A N 0.497 123.248 122.820 -0.114 0.000 1.858 219 A HA -0.216 4.100 4.320 -0.006 0.000 0.216 219 A C 2.086 179.692 177.584 0.037 0.000 1.190 219 A CA 1.174 53.209 52.037 -0.003 0.000 0.617 219 A CB -1.127 17.899 19.000 0.043 0.000 0.827 219 A HN 0.188 nan 8.150 nan 0.000 0.443 220 Y N -0.055 120.056 120.300 -0.315 0.000 2.352 220 Y HA -0.030 4.516 4.550 -0.006 0.000 0.292 220 Y C 2.846 178.749 175.900 0.006 0.000 1.136 220 Y CA 0.485 58.491 58.100 -0.157 0.000 1.227 220 Y CB -0.528 37.784 38.460 -0.245 0.000 0.991 220 Y HN 0.344 nan 8.280 nan 0.000 0.545 221 A N -0.036 122.843 122.820 0.100 0.000 1.898 221 A HA -0.197 4.119 4.320 -0.006 0.000 0.216 221 A C 2.055 179.676 177.584 0.062 0.000 1.181 221 A CA 1.671 53.774 52.037 0.111 0.000 0.620 221 A CB -0.598 18.502 19.000 0.166 0.000 0.819 221 A HN 0.485 nan 8.150 nan 0.000 0.442 222 E N -0.833 119.382 120.200 0.026 0.000 2.209 222 E HA -0.187 4.159 4.350 -0.006 0.000 0.196 222 E C 1.071 177.565 176.600 -0.176 0.000 0.993 222 E CA 1.066 57.426 56.400 -0.066 0.000 0.819 222 E CB -0.186 29.464 29.700 -0.084 0.000 0.745 222 E HN 0.707 nan 8.360 nan 0.000 0.477 223 H N 0.050 119.095 119.070 -0.042 0.000 2.517 223 H HA 0.164 4.716 4.556 -0.006 0.000 0.282 223 H C -0.164 175.227 175.328 0.106 0.000 1.023 223 H CA 0.232 56.274 56.048 -0.011 0.000 1.169 223 H CB 0.318 29.992 29.762 -0.146 0.000 1.454 223 H HN 0.034 nan 8.280 nan 0.000 0.556 224 K N 0.685 121.164 120.400 0.131 0.000 3.162 224 K HA -0.154 4.162 4.320 -0.006 0.000 0.268 224 K C -0.879 175.824 176.600 0.171 0.000 1.062 224 K CA 0.256 56.630 56.287 0.144 0.000 0.769 224 K CB -1.509 31.063 32.500 0.120 0.000 1.274 224 K HN 0.269 nan 8.250 nan 0.000 0.478 225 L N 1.284 122.577 121.223 0.118 0.000 2.439 225 L HA 0.302 4.638 4.340 -0.006 0.000 0.270 225 L C -0.142 176.779 176.870 0.086 0.000 0.972 225 L CA -0.902 53.969 54.840 0.051 0.000 0.836 225 L CB 1.838 43.919 42.059 0.037 0.000 1.255 225 L HN 0.036 nan 8.230 nan 0.000 0.404 226 Q N 2.431 122.238 119.800 0.013 0.000 2.266 226 Q HA 0.551 4.887 4.340 -0.006 0.000 0.261 226 Q C -1.093 174.883 176.000 -0.040 0.000 0.985 226 Q CA -0.529 55.322 55.803 0.080 0.000 0.873 226 Q CB 2.808 31.595 28.738 0.082 0.000 1.306 226 Q HN 0.294 nan 8.270 nan 0.000 0.447 227 F N 0.384 120.363 119.950 0.047 0.000 2.422 227 F HA 0.168 4.691 4.527 -0.006 0.000 0.333 227 F C 0.921 176.777 175.800 0.093 0.000 1.095 227 F CA -0.706 57.335 58.000 0.069 0.000 1.038 227 F CB 0.888 39.900 39.000 0.020 0.000 1.156 227 F HN 0.707 nan 8.300 nan 0.000 0.483 228 W N 3.553 124.895 121.300 0.071 0.000 2.453 228 W HA 0.481 5.138 4.660 -0.006 0.000 0.289 228 W C -0.262 176.258 176.519 0.003 0.000 1.215 228 W CA 0.882 58.227 57.345 0.000 0.000 1.297 228 W CB -0.041 29.389 29.460 -0.051 0.000 1.113 228 W HN 0.471 nan 8.180 nan 0.000 0.551 229 A N 0.067 122.695 122.820 -0.320 0.000 2.586 229 A HA 0.568 4.884 4.320 -0.006 0.000 0.291 229 A C -1.334 176.086 177.584 -0.272 0.000 1.062 229 A CA -0.237 51.423 52.037 -0.628 0.000 0.666 229 A CB 0.614 18.670 19.000 -1.574 0.000 1.281 229 A HN 0.634 nan 8.150 nan 0.000 0.421 230 V N -1.481 118.267 119.914 -0.276 0.000 3.040 230 V HA 0.957 5.073 4.120 -0.006 0.000 0.312 230 V C -0.063 175.934 176.094 -0.162 0.000 1.115 230 V CA 0.058 62.266 62.300 -0.153 0.000 0.998 230 V CB 1.402 33.197 31.823 -0.046 0.000 1.042 230 V HN 1.788 nan 8.190 nan 0.000 0.433 231 T N 0.172 114.667 114.554 -0.098 0.000 2.934 231 T HA 0.730 5.077 4.350 -0.006 0.000 0.283 231 T C 1.186 175.858 174.700 -0.047 0.000 1.005 231 T CA -0.026 62.006 62.100 -0.114 0.000 1.041 231 T CB 1.618 70.409 68.868 -0.128 0.000 1.042 231 T HN 1.618 nan 8.240 nan 0.000 0.505 232 A N 0.462 123.209 122.820 -0.122 0.000 2.015 232 A HA 0.280 4.596 4.320 -0.006 0.000 0.219 232 A C 0.862 178.414 177.584 -0.054 0.000 1.163 232 A CA 1.494 53.457 52.037 -0.122 0.000 0.646 232 A CB -0.786 18.104 19.000 -0.182 0.000 0.806 232 A HN 1.059 nan 8.150 nan 0.000 0.448 233 E N -1.951 118.164 120.200 -0.141 0.000 2.857 233 E HA 0.171 4.517 4.350 -0.006 0.000 0.309 233 E C -1.271 175.140 176.600 -0.315 0.000 1.113 233 E CA -0.350 55.950 56.400 -0.167 0.000 0.906 233 E CB -0.268 29.257 29.700 -0.292 0.000 1.191 233 E HN 0.190 nan 8.360 nan 0.000 0.449 234 N N 2.982 121.420 118.700 -0.436 0.000 2.497 234 N HA 0.120 4.856 4.740 -0.006 0.000 0.268 234 N C -0.691 174.479 175.510 -0.566 0.000 1.171 234 N CA 0.536 53.170 53.050 -0.693 0.000 0.948 234 N CB 0.463 38.017 38.487 -1.555 0.000 1.069 234 N HN 0.541 nan 8.380 nan 0.000 0.460 235 E N 1.834 121.711 120.200 -0.539 0.000 2.106 235 E HA -0.194 4.153 4.350 -0.006 0.000 0.175 235 E C -1.638 174.718 176.600 -0.407 0.000 1.448 235 E CA 0.190 56.300 56.400 -0.482 0.000 0.672 235 E CB -0.720 28.774 29.700 -0.344 0.000 1.057 235 E HN 0.704 nan 8.360 nan 0.000 0.321 236 P HA -0.243 nan 4.420 nan 0.000 0.218 236 P C 1.474 178.722 177.300 -0.086 0.000 1.146 236 P CA 1.843 64.851 63.100 -0.154 0.000 0.813 236 P CB 0.045 31.688 31.700 -0.095 0.000 0.778 237 S N -0.600 114.980 115.700 -0.200 0.000 2.507 237 S HA 0.035 4.502 4.470 -0.006 0.000 0.235 237 S C 2.117 176.583 174.600 -0.223 0.000 0.988 237 S CA 0.728 58.869 58.200 -0.098 0.000 0.944 237 S CB -1.026 62.107 63.200 -0.111 0.000 0.762 237 S HN 0.142 nan 8.310 nan 0.000 0.526 238 A N 1.960 124.532 122.820 -0.415 0.000 1.902 238 A HA 0.229 4.545 4.320 -0.006 0.000 0.217 238 A C 2.366 179.577 177.584 -0.621 0.000 1.181 238 A CA 1.322 52.883 52.037 -0.794 0.000 0.623 238 A CB -1.732 16.461 19.000 -1.344 0.000 0.818 238 A HN 0.691 nan 8.150 nan 0.000 0.443 239 G N -0.456 108.115 108.800 -0.381 0.000 2.586 239 G HA2 -0.020 3.936 3.960 -0.006 0.000 0.215 239 G HA3 -0.020 3.936 3.960 -0.006 0.000 0.215 239 G C 1.180 175.995 174.900 -0.141 0.000 1.128 239 G CA 0.805 45.772 45.100 -0.222 0.000 0.774 239 G HN 0.473 nan 8.290 nan 0.000 0.543 240 L N -0.302 120.849 121.223 -0.119 0.000 2.592 240 L HA 0.338 4.674 4.340 -0.006 0.000 0.227 240 L C 0.381 177.219 176.870 -0.054 0.000 1.127 240 L CA -0.112 54.694 54.840 -0.058 0.000 0.884 240 L CB -0.060 41.995 42.059 -0.006 0.000 1.065 240 L HN 0.079 nan 8.230 nan 0.000 0.457 241 L N 0.578 121.754 121.223 -0.077 0.000 2.282 241 L HA 0.274 4.610 4.340 -0.006 0.000 0.288 241 L C 0.649 177.520 176.870 0.002 0.000 1.033 241 L CA -0.425 54.399 54.840 -0.027 0.000 0.807 241 L CB 1.535 43.593 42.059 -0.001 0.000 1.209 241 L HN 0.072 nan 8.230 nan 0.000 0.423 242 S N 1.273 116.972 115.700 -0.002 0.000 2.549 242 S HA 0.439 4.905 4.470 -0.006 0.000 0.283 242 S C 1.140 175.742 174.600 0.004 0.000 1.320 242 S CA 0.051 58.248 58.200 -0.004 0.000 1.058 242 S CB 1.237 64.430 63.200 -0.012 0.000 0.882 242 S HN 1.065 nan 8.310 nan 0.000 0.498 243 G N 0.862 109.661 108.800 -0.001 0.000 2.179 243 G HA2 -0.304 3.653 3.960 -0.006 0.000 0.260 243 G HA3 -0.304 3.653 3.960 -0.006 0.000 0.260 243 G C -0.117 174.758 174.900 -0.042 0.000 0.977 243 G CA 0.180 45.267 45.100 -0.022 0.000 0.641 243 G HN 1.021 nan 8.290 nan 0.000 0.533 244 Y N 2.859 123.079 120.300 -0.133 0.000 2.802 244 Y HA 0.223 4.769 4.550 -0.007 0.000 0.333 244 Y C 0.215 175.989 175.900 -0.209 0.000 1.244 244 Y CA -0.532 57.441 58.100 -0.212 0.000 1.558 244 Y CB 0.873 39.177 38.460 -0.261 0.000 1.233 244 Y HN 0.123 nan 8.280 nan 0.000 0.547 245 P HA -0.188 nan 4.420 nan 0.000 0.216 245 P C -0.244 176.905 177.300 -0.252 0.000 1.150 245 P CA 1.565 64.410 63.100 -0.425 0.000 0.837 245 P CB -0.048 31.399 31.700 -0.421 0.000 0.786 246 F N -2.794 117.004 119.950 -0.253 0.000 2.764 246 F HA 0.675 5.199 4.527 -0.005 0.000 0.347 246 F C -0.287 175.719 175.800 0.343 0.000 1.151 246 F CA -2.183 55.861 58.000 0.074 0.000 1.021 246 F CB -0.461 38.502 39.000 -0.062 0.000 1.438 246 F HN -0.454 nan 8.300 nan 0.000 0.516 247 Q N 1.176 121.405 119.800 0.716 0.000 2.687 247 Q HA 0.310 4.646 4.340 -0.006 0.000 0.341 247 Q C -0.206 176.086 176.000 0.488 0.000 1.074 247 Q CA 0.817 56.919 55.803 0.499 0.000 1.115 247 Q CB -0.181 28.817 28.738 0.434 0.000 0.996 247 Q HN 0.870 nan 8.270 nan 0.000 0.397 248 C N 0.441 119.865 119.300 0.207 0.000 3.293 248 C HA 0.895 5.351 4.460 -0.006 0.000 0.362 248 C C -1.617 173.340 174.990 -0.055 0.000 1.539 248 C CA -1.263 57.779 59.018 0.041 0.000 1.201 248 C CB 0.966 28.631 27.740 -0.125 0.000 1.770 248 C HN 0.773 nan 8.230 nan 0.000 0.440 249 L N 1.724 122.887 121.223 -0.101 0.000 2.811 249 L HA 0.627 4.964 4.340 -0.006 0.000 0.251 249 L C 0.177 177.028 176.870 -0.031 0.000 0.971 249 L CA 0.697 55.466 54.840 -0.119 0.000 0.990 249 L CB 0.591 42.595 42.059 -0.091 0.000 1.320 249 L HN 1.492 nan 8.230 nan 0.000 0.473 250 G N 2.622 111.341 108.800 -0.135 0.000 2.432 250 G HA2 0.402 4.358 3.960 -0.006 0.000 0.239 250 G HA3 0.402 4.358 3.960 -0.006 0.000 0.239 250 G C -1.003 173.829 174.900 -0.114 0.000 1.291 250 G CA 0.248 45.305 45.100 -0.071 0.000 0.863 250 G HN 0.400 nan 8.290 nan 0.000 0.560 251 F N -0.369 119.542 119.950 -0.065 0.000 2.615 251 F HA 0.385 4.909 4.527 -0.005 0.000 0.312 251 F C 0.624 176.502 175.800 0.130 0.000 1.119 251 F CA -0.733 57.241 58.000 -0.042 0.000 0.979 251 F CB 2.221 41.204 39.000 -0.028 0.000 1.266 251 F HN 0.710 nan 8.300 nan 0.000 0.444 252 T N -0.163 114.550 114.554 0.266 0.000 2.902 252 T HA 0.354 4.700 4.350 -0.006 0.000 0.280 252 T C -1.997 172.509 174.700 -0.323 0.000 0.992 252 T CA -1.954 60.171 62.100 0.042 0.000 1.015 252 T CB 1.707 70.578 68.868 0.006 0.000 1.044 252 T HN 0.314 nan 8.240 nan 0.000 0.520 253 P HA -0.146 nan 4.420 nan 0.000 0.216 253 P C 0.991 177.945 177.300 -0.577 0.000 1.150 253 P CA 1.298 63.499 63.100 -1.499 0.000 0.843 253 P CB 0.162 30.878 31.700 -1.642 0.000 0.787 254 E N -1.315 118.688 120.200 -0.329 0.000 2.051 254 E HA -0.204 4.142 4.350 -0.006 0.000 0.192 254 E C 2.295 178.911 176.600 0.027 0.000 0.991 254 E CA 1.004 57.321 56.400 -0.137 0.000 0.799 254 E CB -1.127 28.511 29.700 -0.104 0.000 0.748 254 E HN 0.339 nan 8.360 nan 0.000 0.449 255 H N 0.793 119.860 119.070 -0.004 0.000 2.319 255 H HA -0.108 4.445 4.556 -0.005 0.000 0.299 255 H C 2.079 177.630 175.328 0.371 0.000 1.092 255 H CA 2.061 58.206 56.048 0.162 0.000 1.302 255 H CB -0.115 29.733 29.762 0.143 0.000 1.373 255 H HN 0.237 nan 8.280 nan 0.000 0.497 256 Q N 0.337 120.411 119.800 0.456 0.000 2.050 256 Q HA -0.167 4.169 4.340 -0.006 0.000 0.202 256 Q C 2.623 178.750 176.000 0.212 0.000 0.980 256 Q CA 1.711 57.712 55.803 0.330 0.000 0.840 256 Q CB -0.025 28.809 28.738 0.161 0.000 0.898 256 Q HN 0.359 nan 8.270 nan 0.000 0.424 257 R N 0.162 120.705 120.500 0.072 0.000 2.097 257 R HA -0.205 4.132 4.340 -0.006 0.000 0.236 257 R C 1.463 177.807 176.300 0.074 0.000 1.135 257 R CA 2.225 58.336 56.100 0.017 0.000 0.934 257 R CB -0.361 29.908 30.300 -0.052 0.000 0.846 257 R HN 0.410 nan 8.270 nan 0.000 0.431 258 D N -0.170 120.308 120.400 0.130 0.000 2.178 258 D HA -0.158 4.479 4.640 -0.006 0.000 0.202 258 D C 1.694 178.124 176.300 0.218 0.000 0.974 258 D CA 0.809 54.888 54.000 0.132 0.000 0.841 258 D CB -0.393 40.465 40.800 0.097 0.000 0.953 258 D HN 0.230 nan 8.370 nan 0.000 0.478 259 F N 2.039 122.132 119.950 0.239 0.000 2.095 259 F HA -0.145 4.379 4.527 -0.006 0.000 0.298 259 F C 2.094 177.954 175.800 0.100 0.000 1.104 259 F CA 1.011 59.196 58.000 0.308 0.000 1.232 259 F CB -0.547 38.763 39.000 0.516 0.000 0.987 259 F HN -0.158 nan 8.300 nan 0.000 0.475 260 I N 0.225 120.612 120.570 -0.305 0.000 2.202 260 I HA -0.253 3.913 4.170 -0.006 0.000 0.242 260 I C 2.721 178.659 176.117 -0.298 0.000 1.091 260 I CA 1.149 62.168 61.300 -0.469 0.000 1.368 260 I CB -1.062 36.793 38.000 -0.241 0.000 1.058 260 I HN 0.228 nan 8.210 nan 0.000 0.410 261 A N 1.075 123.848 122.820 -0.078 0.000 1.858 261 A HA -0.192 4.125 4.320 -0.006 0.000 0.216 261 A C 2.419 180.000 177.584 -0.006 0.000 1.190 261 A CA 1.654 53.716 52.037 0.042 0.000 0.617 261 A CB -0.520 18.513 19.000 0.055 0.000 0.827 261 A HN 0.327 nan 8.150 nan 0.000 0.443 262 R N -1.254 119.233 120.500 -0.021 0.000 2.173 262 R HA 0.044 4.381 4.340 -0.006 0.000 0.208 262 R C 0.821 177.092 176.300 -0.048 0.000 1.035 262 R CA 1.225 57.321 56.100 -0.006 0.000 1.004 262 R CB 0.008 30.332 30.300 0.040 0.000 0.917 262 R HN 0.579 nan 8.270 nan 0.000 0.462 263 D N -0.170 120.156 120.400 -0.122 0.000 3.234 263 D HA -0.042 4.594 4.640 -0.006 0.000 0.281 263 D C 1.716 177.772 176.300 -0.406 0.000 1.405 263 D CA -0.052 53.867 54.000 -0.134 0.000 1.115 263 D CB -0.395 40.520 40.800 0.191 0.000 1.198 263 D HN -0.082 nan 8.370 nan 0.000 0.388 264 L N 2.254 122.979 121.223 -0.831 0.000 1.970 264 L HA -0.039 4.297 4.340 -0.006 0.000 0.212 264 L C 2.247 178.666 176.870 -0.752 0.000 1.071 264 L CA 2.462 56.746 54.840 -0.926 0.000 0.751 264 L CB -1.220 40.039 42.059 -1.333 0.000 0.889 264 L HN 0.140 nan 8.230 nan 0.000 0.432 265 G N -0.695 107.577 108.800 -0.879 0.000 2.545 265 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.217 265 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.217 265 G C -0.558 173.612 174.900 -1.217 0.000 1.218 265 G CA 1.032 45.312 45.100 -1.368 0.000 0.787 265 G HN 0.373 nan 8.290 nan 0.000 0.571 266 P HA -0.105 nan 4.420 nan 0.000 0.215 266 P C 2.159 179.317 177.300 -0.237 0.000 1.163 266 P CA 2.315 65.188 63.100 -0.379 0.000 0.894 266 P CB -0.368 31.211 31.700 -0.201 0.000 0.791 267 T N -0.183 114.223 114.554 -0.246 0.000 2.635 267 T HA -0.171 4.175 4.350 -0.006 0.000 0.267 267 T C 1.795 176.418 174.700 -0.129 0.000 1.040 267 T CA 1.286 63.297 62.100 -0.149 0.000 1.156 267 T CB -1.095 67.686 68.868 -0.145 0.000 0.863 267 T HN 0.045 nan 8.240 nan 0.000 0.430 268 L N 0.688 121.789 121.223 -0.203 0.000 1.994 268 L HA -0.114 4.223 4.340 -0.006 0.000 0.208 268 L C 3.111 179.963 176.870 -0.029 0.000 1.071 268 L CA 1.367 56.134 54.840 -0.122 0.000 0.745 268 L CB -0.756 41.184 42.059 -0.198 0.000 0.892 268 L HN 0.267 nan 8.230 nan 0.000 0.431 269 A N -0.009 122.781 122.820 -0.051 0.000 1.978 269 A HA -0.263 4.053 4.320 -0.006 0.000 0.220 269 A C 1.948 179.563 177.584 0.051 0.000 1.170 269 A CA 2.238 54.310 52.037 0.058 0.000 0.636 269 A CB -0.694 18.378 19.000 0.120 0.000 0.810 269 A HN 0.485 nan 8.150 nan 0.000 0.448 270 N N -0.429 118.275 118.700 0.007 0.000 2.398 270 N HA 0.011 4.748 4.740 -0.006 0.000 0.188 270 N C 0.482 176.002 175.510 0.017 0.000 1.122 270 N CA 0.744 53.797 53.050 0.005 0.000 0.866 270 N CB -0.087 38.394 38.487 -0.009 0.000 0.970 270 N HN 0.548 nan 8.380 nan 0.000 0.462 271 S N -2.400 113.321 115.700 0.036 0.000 2.767 271 S HA 0.244 4.710 4.470 -0.006 0.000 0.300 271 S C 1.288 175.887 174.600 -0.001 0.000 1.123 271 S CA -0.146 58.060 58.200 0.010 0.000 0.992 271 S CB 0.657 63.872 63.200 0.025 0.000 1.138 271 S HN 0.222 nan 8.310 nan 0.000 0.550 272 T N -1.982 112.458 114.554 -0.189 0.000 3.113 272 T HA 0.013 4.359 4.350 -0.006 0.000 0.263 272 T C 0.621 175.006 174.700 -0.525 0.000 1.143 272 T CA 0.719 62.633 62.100 -0.311 0.000 1.090 272 T CB -0.676 67.946 68.868 -0.410 0.000 0.922 272 T HN 0.741 nan 8.240 nan 0.000 0.521 273 H N 0.817 119.823 119.070 -0.105 0.000 2.505 273 H HA 0.180 4.732 4.556 -0.006 0.000 0.289 273 H C 1.632 176.846 175.328 -0.191 0.000 1.052 273 H CA 0.392 56.348 56.048 -0.154 0.000 1.156 273 H CB -0.335 29.383 29.762 -0.072 0.000 1.507 273 H HN 0.792 nan 8.280 nan 0.000 0.548 274 H N -0.136 118.944 119.070 0.016 0.000 2.492 274 H HA -0.091 4.461 4.556 -0.006 0.000 0.296 274 H C 1.254 176.584 175.328 0.003 0.000 1.095 274 H CA 1.273 57.322 56.048 0.002 0.000 1.281 274 H CB -0.094 29.662 29.762 -0.009 0.000 1.374 274 H HN 0.077 nan 8.280 nan 0.000 0.545 275 N N 0.772 119.309 118.700 -0.273 0.000 2.494 275 N HA -0.001 4.736 4.740 -0.006 0.000 0.182 275 N C -0.133 175.341 175.510 -0.061 0.000 1.076 275 N CA 0.402 53.409 53.050 -0.072 0.000 0.908 275 N CB 0.258 38.678 38.487 -0.112 0.000 0.967 275 N HN 0.198 nan 8.380 nan 0.000 0.449 276 V N 3.076 122.953 119.914 -0.062 0.000 2.655 276 V HA -0.001 4.115 4.120 -0.006 0.000 0.300 276 V C 0.902 176.892 176.094 -0.173 0.000 1.044 276 V CA -0.111 62.139 62.300 -0.084 0.000 1.095 276 V CB 0.581 32.385 31.823 -0.033 0.000 0.952 276 V HN 0.106 nan 8.190 nan 0.000 0.485 277 R N 3.286 123.585 120.500 -0.335 0.000 2.531 277 R HA 0.514 4.850 4.340 -0.006 0.000 0.273 277 R C -0.583 175.503 176.300 -0.356 0.000 1.070 277 R CA -0.758 55.092 56.100 -0.417 0.000 1.112 277 R CB 1.052 30.905 30.300 -0.744 0.000 1.049 277 R HN 0.512 nan 8.270 nan 0.000 0.508 278 L N 2.838 123.925 121.223 -0.228 0.000 2.341 278 L HA 0.458 4.795 4.340 -0.006 0.000 0.278 278 L C -1.143 175.626 176.870 -0.169 0.000 1.005 278 L CA -0.315 54.397 54.840 -0.213 0.000 0.818 278 L CB 1.291 43.236 42.059 -0.190 0.000 1.259 278 L HN 0.424 nan 8.230 nan 0.000 0.418 279 L N 5.621 126.722 121.223 -0.203 0.000 2.329 279 L HA 0.589 4.925 4.340 -0.006 0.000 0.279 279 L C 0.178 176.962 176.870 -0.143 0.000 1.014 279 L CA -0.786 53.960 54.840 -0.157 0.000 0.814 279 L CB 1.761 43.710 42.059 -0.183 0.000 1.257 279 L HN 0.778 nan 8.230 nan 0.000 0.424 280 M N 1.548 121.078 119.600 -0.116 0.000 2.527 280 M HA 0.535 5.011 4.480 -0.006 0.000 0.283 280 M C 0.668 176.882 176.300 -0.143 0.000 1.188 280 M CA -0.331 54.904 55.300 -0.107 0.000 0.941 280 M CB 1.111 33.675 32.600 -0.061 0.000 1.498 280 M HN 0.460 nan 8.290 nan 0.000 0.510 281 L N 0.301 121.425 121.223 -0.165 0.000 3.730 281 L HA -0.375 3.961 4.340 -0.006 0.000 0.053 281 L C 0.463 177.028 176.870 -0.508 0.000 4.266 281 L CA 3.128 57.724 54.840 -0.407 0.000 0.726 281 L CB -1.908 39.946 42.059 -0.341 0.000 3.467 281 L HN 1.190 nan 8.230 nan 0.000 0.870 282 D N 0.162 120.309 120.400 -0.423 0.000 2.708 282 D HA -0.128 4.509 4.640 -0.006 0.000 0.236 282 D C -0.296 175.374 176.300 -1.049 0.000 1.146 282 D CA 1.366 55.052 54.000 -0.522 0.000 0.662 282 D CB -0.803 39.786 40.800 -0.352 0.000 1.059 282 D HN 0.722 nan 8.370 nan 0.000 0.428 283 D N -0.828 119.022 120.400 -0.917 0.000 2.652 283 D HA 0.222 4.859 4.640 -0.006 0.000 0.285 283 D C -0.373 175.652 176.300 -0.458 0.000 1.173 283 D CA -0.432 53.072 54.000 -0.827 0.000 0.981 283 D CB 0.891 41.253 40.800 -0.730 0.000 1.440 283 D HN 0.275 nan 8.370 nan 0.000 0.485 284 Q N 0.196 119.913 119.800 -0.140 0.000 2.333 284 Q HA 0.011 4.347 4.340 -0.006 0.000 0.299 284 Q C 1.004 177.034 176.000 0.049 0.000 1.067 284 Q CA 0.141 56.087 55.803 0.240 0.000 0.943 284 Q CB 0.767 29.830 28.738 0.541 0.000 1.233 284 Q HN 0.439 nan 8.270 nan 0.000 0.401 285 R N 2.563 123.066 120.500 0.005 0.000 2.241 285 R HA -0.124 4.212 4.340 -0.006 0.000 0.224 285 R C 1.344 177.509 176.300 -0.225 0.000 1.101 285 R CA 1.333 57.303 56.100 -0.216 0.000 0.995 285 R CB -0.376 29.696 30.300 -0.380 0.000 0.870 285 R HN 0.765 nan 8.270 nan 0.000 0.463 286 L N 0.860 121.971 121.223 -0.187 0.000 2.456 286 L HA -0.017 4.319 4.340 -0.006 0.000 0.224 286 L C 1.725 178.588 176.870 -0.012 0.000 1.148 286 L CA 0.635 55.415 54.840 -0.099 0.000 0.825 286 L CB -0.029 42.028 42.059 -0.004 0.000 0.937 286 L HN 0.301 nan 8.230 nan 0.000 0.450 287 L N -0.656 120.550 121.223 -0.029 0.000 2.599 287 L HA 0.036 4.373 4.340 -0.006 0.000 0.230 287 L C 0.532 177.476 176.870 0.125 0.000 1.141 287 L CA 0.081 54.943 54.840 0.035 0.000 0.877 287 L CB -0.002 41.915 42.059 -0.237 0.000 1.009 287 L HN 0.166 nan 8.230 nan 0.000 0.447 288 L N 0.460 121.709 121.223 0.043 0.000 2.344 288 L HA 0.285 4.621 4.340 -0.006 0.000 0.272 288 L C -1.191 175.732 176.870 0.089 0.000 1.035 288 L CA -1.547 53.340 54.840 0.078 0.000 0.807 288 L CB 1.300 43.366 42.059 0.011 0.000 1.237 288 L HN -0.210 nan 8.230 nan 0.000 0.442 289 P HA -0.133 nan 4.420 nan 0.000 0.231 289 P C 1.117 178.552 177.300 0.224 0.000 1.168 289 P CA 0.907 64.109 63.100 0.169 0.000 0.779 289 P CB 0.164 31.967 31.700 0.173 0.000 0.844 290 H N -0.256 118.893 119.070 0.132 0.000 2.325 290 H HA -0.192 4.360 4.556 -0.007 0.000 0.293 290 H C 1.524 176.933 175.328 0.135 0.000 1.106 290 H CA 2.099 58.223 56.048 0.126 0.000 1.247 290 H CB -1.080 28.752 29.762 0.117 0.000 1.359 290 H HN 0.084 nan 8.280 nan 0.000 0.488 291 W N 0.292 121.474 121.300 -0.197 0.000 2.374 291 W HA -0.013 4.643 4.660 -0.006 0.000 0.288 291 W C 2.878 179.249 176.519 -0.246 0.000 1.218 291 W CA 2.017 59.196 57.345 -0.276 0.000 1.245 291 W CB -0.695 28.658 29.460 -0.178 0.000 1.126 291 W HN 0.370 nan 8.180 nan 0.000 0.545 292 A N 0.010 122.843 122.820 0.022 0.000 1.898 292 A HA -0.197 4.119 4.320 -0.006 0.000 0.216 292 A C 1.945 179.336 177.584 -0.323 0.000 1.181 292 A CA 1.804 53.705 52.037 -0.226 0.000 0.620 292 A CB -0.621 18.248 19.000 -0.218 0.000 0.819 292 A HN 0.256 nan 8.150 nan 0.000 0.442 293 K N -0.402 119.991 120.400 -0.011 0.000 1.991 293 K HA -0.129 4.187 4.320 -0.006 0.000 0.212 293 K C 1.936 178.529 176.600 -0.012 0.000 1.049 293 K CA 1.739 58.120 56.287 0.157 0.000 0.932 293 K CB -0.557 32.071 32.500 0.212 0.000 0.717 293 K HN 0.282 nan 8.250 nan 0.000 0.441 294 V N 1.031 120.849 119.914 -0.160 0.000 2.231 294 V HA -0.266 3.850 4.120 -0.006 0.000 0.248 294 V C 2.303 178.292 176.094 -0.175 0.000 1.054 294 V CA 1.890 64.063 62.300 -0.211 0.000 1.015 294 V CB -0.509 31.058 31.823 -0.426 0.000 0.638 294 V HN 0.128 nan 8.190 nan 0.000 0.444 295 V N -0.516 119.273 119.914 -0.208 0.000 2.453 295 V HA -0.160 3.956 4.120 -0.006 0.000 0.247 295 V C 2.159 178.163 176.094 -0.151 0.000 1.048 295 V CA 1.661 63.865 62.300 -0.159 0.000 1.049 295 V CB -0.512 31.233 31.823 -0.130 0.000 0.672 295 V HN 0.440 nan 8.190 nan 0.000 0.457 296 L N 0.604 121.681 121.223 -0.243 0.000 2.418 296 L HA -0.032 4.304 4.340 -0.006 0.000 0.218 296 L C 2.495 179.370 176.870 0.008 0.000 1.125 296 L CA 1.417 56.112 54.840 -0.241 0.000 0.835 296 L CB -0.675 40.917 42.059 -0.779 0.000 0.953 296 L HN 0.540 nan 8.230 nan 0.000 0.454 297 T N -4.422 110.174 114.554 0.070 0.000 3.148 297 T HA -0.071 4.275 4.350 -0.006 0.000 0.253 297 T C 0.645 175.368 174.700 0.038 0.000 1.134 297 T CA -0.069 62.099 62.100 0.115 0.000 1.051 297 T CB -0.245 68.694 68.868 0.118 0.000 0.959 297 T HN 0.051 nan 8.240 nan 0.000 0.525 298 D N 2.623 123.023 120.400 0.001 0.000 2.443 298 D HA 0.229 4.865 4.640 -0.006 0.000 0.221 298 D C -1.462 174.827 176.300 -0.018 0.000 1.097 298 D CA -2.578 51.416 54.000 -0.011 0.000 0.865 298 D CB 2.020 42.807 40.800 -0.022 0.000 1.034 298 D HN 0.045 nan 8.370 nan 0.000 0.511 299 P HA -0.143 nan 4.420 nan 0.000 0.221 299 P C 0.782 178.040 177.300 -0.069 0.000 1.145 299 P CA 0.751 63.827 63.100 -0.041 0.000 0.795 299 P CB 0.660 32.338 31.700 -0.036 0.000 0.775 300 E N -0.096 120.079 120.200 -0.042 0.000 2.208 300 E HA -0.036 4.310 4.350 -0.006 0.000 0.193 300 E C 2.065 178.677 176.600 0.021 0.000 0.988 300 E CA 1.134 57.516 56.400 -0.029 0.000 0.828 300 E CB -0.659 29.047 29.700 0.011 0.000 0.763 300 E HN 0.285 nan 8.360 nan 0.000 0.478 301 A N 0.984 123.815 122.820 0.018 0.000 1.887 301 A HA 0.233 4.549 4.320 -0.006 0.000 0.212 301 A C 2.318 179.911 177.584 0.015 0.000 1.198 301 A CA 1.112 53.179 52.037 0.051 0.000 0.628 301 A CB -0.445 18.556 19.000 0.002 0.000 0.847 301 A HN 0.216 nan 8.150 nan 0.000 0.449 302 A N 1.176 123.970 122.820 -0.043 0.000 2.070 302 A HA -0.145 4.171 4.320 -0.006 0.000 0.220 302 A C 1.970 179.499 177.584 -0.091 0.000 1.159 302 A CA 1.756 53.754 52.037 -0.064 0.000 0.656 302 A CB -0.603 18.364 19.000 -0.056 0.000 0.800 302 A HN 0.702 nan 8.150 nan 0.000 0.453 303 K N -1.848 118.442 120.400 -0.183 0.000 2.362 303 K HA -0.084 4.232 4.320 -0.006 0.000 0.200 303 K C 1.233 177.634 176.600 -0.332 0.000 1.046 303 K CA 1.457 57.566 56.287 -0.297 0.000 0.952 303 K CB -0.397 31.829 32.500 -0.456 0.000 0.753 303 K HN 0.593 nan 8.250 nan 0.000 0.466 304 Y N 1.053 121.311 120.300 -0.069 0.000 2.509 304 Y HA 0.151 4.697 4.550 -0.006 0.000 0.270 304 Y C 0.544 176.390 175.900 -0.090 0.000 1.103 304 Y CA -0.793 57.253 58.100 -0.089 0.000 1.278 304 Y CB 0.984 39.365 38.460 -0.131 0.000 1.087 304 Y HN -0.216 nan 8.280 nan 0.000 0.542 305 V N 1.914 121.860 119.914 0.052 0.000 2.455 305 V HA -0.053 4.063 4.120 -0.006 0.000 0.273 305 V C 0.995 177.103 176.094 0.024 0.000 1.045 305 V CA -0.011 62.288 62.300 -0.002 0.000 0.976 305 V CB 0.795 32.585 31.823 -0.055 0.000 0.993 305 V HN 0.425 nan 8.190 nan 0.000 0.475 306 H N 3.774 122.799 119.070 -0.075 0.000 2.582 306 H HA 0.302 4.854 4.556 -0.006 0.000 0.269 306 H C 0.537 175.844 175.328 -0.035 0.000 0.962 306 H CA 0.935 56.951 56.048 -0.053 0.000 1.230 306 H CB 1.230 30.949 29.762 -0.073 0.000 1.445 306 H HN 0.720 nan 8.280 nan 0.000 0.528 307 G N 0.330 109.076 108.800 -0.090 0.000 2.576 307 G HA2 0.405 4.361 3.960 -0.006 0.000 0.290 307 G HA3 0.405 4.361 3.960 -0.006 0.000 0.290 307 G C -1.644 173.221 174.900 -0.058 0.000 1.442 307 G CA -0.750 44.290 45.100 -0.100 0.000 0.792 307 G HN 0.126 nan 8.290 nan 0.000 0.491 308 I N 1.502 122.057 120.570 -0.025 0.000 2.328 308 I HA 0.526 4.692 4.170 -0.006 0.000 0.287 308 I C 0.679 176.803 176.117 0.011 0.000 1.012 308 I CA -0.647 60.631 61.300 -0.037 0.000 1.195 308 I CB 1.720 39.694 38.000 -0.042 0.000 1.350 308 I HN 0.608 nan 8.210 nan 0.000 0.464 309 A N 7.022 129.833 122.820 -0.015 0.000 2.328 309 A HA 0.709 5.025 4.320 -0.006 0.000 0.284 309 A C -0.136 177.419 177.584 -0.048 0.000 1.160 309 A CA -0.411 51.662 52.037 0.059 0.000 0.818 309 A CB 0.650 19.679 19.000 0.049 0.000 1.087 309 A HN 0.604 nan 8.150 nan 0.000 0.504 310 V N 0.893 120.800 119.914 -0.010 0.000 2.864 310 V HA 0.691 4.808 4.120 -0.006 0.000 0.314 310 V C -0.413 175.701 176.094 0.033 0.000 1.073 310 V CA -0.786 61.468 62.300 -0.077 0.000 0.956 310 V CB 1.261 33.033 31.823 -0.085 0.000 1.023 310 V HN 0.954 nan 8.190 nan 0.000 0.435 311 H N 1.695 120.653 119.070 -0.188 0.000 2.710 311 H HA 0.605 5.157 4.556 -0.006 0.000 0.361 311 H C -1.548 173.720 175.328 -0.100 0.000 1.175 311 H CA -0.679 55.197 56.048 -0.285 0.000 1.206 311 H CB 2.498 32.037 29.762 -0.372 0.000 1.750 311 H HN 0.800 nan 8.280 nan 0.000 0.553 312 W N 1.552 122.509 121.300 -0.572 0.000 3.363 312 W HA 0.183 4.839 4.660 -0.007 0.000 0.306 312 W C -2.027 174.057 176.519 -0.725 0.000 1.253 312 W CA -0.659 56.367 57.345 -0.533 0.000 1.195 312 W CB 1.889 31.218 29.460 -0.218 0.000 1.366 312 W HN 0.599 nan 8.180 nan 0.000 0.551 313 Y N 5.015 124.485 120.300 -1.383 0.000 2.721 313 Y HA 0.190 4.736 4.550 -0.006 0.000 0.328 313 Y C 1.333 176.957 175.900 -0.460 0.000 1.003 313 Y CA -0.573 57.073 58.100 -0.757 0.000 1.275 313 Y CB 0.450 38.427 38.460 -0.804 0.000 1.097 313 Y HN 0.224 nan 8.280 nan 0.000 0.514 314 L N 0.937 122.129 121.223 -0.053 0.000 2.151 314 L HA -0.297 4.039 4.340 -0.006 0.000 0.215 314 L C 1.168 178.150 176.870 0.186 0.000 1.084 314 L CA 1.450 56.386 54.840 0.160 0.000 0.764 314 L CB -0.172 41.990 42.059 0.172 0.000 0.891 314 L HN 0.639 nan 8.230 nan 0.000 0.435 315 D N -0.472 120.003 120.400 0.125 0.000 2.348 315 D HA -0.036 4.600 4.640 -0.006 0.000 0.216 315 D C 0.559 176.768 176.300 -0.151 0.000 0.970 315 D CA 0.835 54.791 54.000 -0.073 0.000 0.889 315 D CB 0.029 40.652 40.800 -0.296 0.000 0.912 315 D HN 0.223 nan 8.370 nan 0.000 0.524 316 F N 0.313 120.317 119.950 0.090 0.000 2.497 316 F HA 0.397 4.920 4.527 -0.006 0.000 0.331 316 F C 0.579 176.659 175.800 0.468 0.000 1.060 316 F CA -1.049 57.080 58.000 0.215 0.000 0.989 316 F CB 1.185 40.257 39.000 0.120 0.000 1.245 316 F HN -0.311 nan 8.300 nan 0.000 0.486 317 L N 1.422 123.020 121.223 0.624 0.000 2.357 317 L HA 0.730 5.066 4.340 -0.006 0.000 0.273 317 L C -0.395 176.723 176.870 0.415 0.000 1.080 317 L CA -0.572 54.534 54.840 0.443 0.000 0.803 317 L CB 1.464 43.687 42.059 0.272 0.000 1.174 317 L HN 0.811 nan 8.230 nan 0.000 0.443 318 A N 4.295 127.169 122.820 0.090 0.000 3.024 318 A HA 0.321 4.637 4.320 -0.006 0.000 0.251 318 A C -2.520 174.888 177.584 -0.294 0.000 1.267 318 A CA -0.794 51.085 52.037 -0.263 0.000 1.050 318 A CB -0.299 18.065 19.000 -1.059 0.000 1.400 318 A HN 0.440 nan 8.150 nan 0.000 0.756 319 P HA -0.022 nan 4.420 nan 0.000 0.260 319 P C 1.127 178.252 177.300 -0.291 0.000 1.147 319 P CA 1.203 64.203 63.100 -0.168 0.000 0.758 319 P CB 0.655 32.301 31.700 -0.091 0.000 0.744 320 A N 4.573 127.135 122.820 -0.431 0.000 1.929 320 A HA -0.157 4.160 4.320 -0.006 0.000 0.216 320 A C 2.236 179.423 177.584 -0.662 0.000 1.176 320 A CA 1.487 53.124 52.037 -0.667 0.000 0.628 320 A CB -0.674 17.678 19.000 -1.080 0.000 0.816 320 A HN 0.556 nan 8.150 nan 0.000 0.444 321 K N -0.090 119.983 120.400 -0.545 0.000 2.026 321 K HA -0.085 4.231 4.320 -0.006 0.000 0.208 321 K C 2.032 178.607 176.600 -0.042 0.000 1.048 321 K CA 1.242 57.448 56.287 -0.136 0.000 0.929 321 K CB -0.317 32.226 32.500 0.072 0.000 0.713 321 K HN 0.346 nan 8.250 nan 0.000 0.439 322 A N 0.326 123.104 122.820 -0.071 0.000 2.121 322 A HA -0.111 4.205 4.320 -0.006 0.000 0.218 322 A C 1.858 179.422 177.584 -0.034 0.000 1.154 322 A CA 1.995 54.013 52.037 -0.031 0.000 0.679 322 A CB -0.533 18.445 19.000 -0.036 0.000 0.795 322 A HN 0.666 nan 8.150 nan 0.000 0.458 323 T N -3.660 110.842 114.554 -0.087 0.000 3.499 323 T HA 0.199 4.546 4.350 -0.006 0.000 0.227 323 T C 1.608 176.290 174.700 -0.031 0.000 0.946 323 T CA 0.378 62.430 62.100 -0.080 0.000 1.368 323 T CB -0.472 68.288 68.868 -0.181 0.000 1.227 323 T HN -0.010 nan 8.240 nan 0.000 0.398 324 L N 2.024 123.204 121.223 -0.073 0.000 2.056 324 L HA 0.160 4.496 4.340 -0.006 0.000 0.207 324 L C 3.008 179.993 176.870 0.191 0.000 1.078 324 L CA 2.298 57.162 54.840 0.039 0.000 0.749 324 L CB -2.055 40.008 42.059 0.007 0.000 0.901 324 L HN 0.628 nan 8.230 nan 0.000 0.433 325 G N -0.506 108.415 108.800 0.202 0.000 2.459 325 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.217 325 G HA3 -0.328 3.629 3.960 -0.006 0.000 0.217 325 G C 1.564 176.606 174.900 0.237 0.000 1.183 325 G CA 0.906 46.219 45.100 0.355 0.000 0.776 325 G HN 0.335 nan 8.290 nan 0.000 0.552 326 E N 0.304 120.592 120.200 0.146 0.000 2.085 326 E HA -0.093 4.253 4.350 -0.006 0.000 0.194 326 E C 2.721 179.394 176.600 0.123 0.000 0.994 326 E CA 1.695 58.162 56.400 0.110 0.000 0.801 326 E CB -0.696 29.052 29.700 0.080 0.000 0.743 326 E HN 0.336 nan 8.360 nan 0.000 0.453 327 T N -0.786 113.862 114.554 0.156 0.000 2.759 327 T HA -0.202 4.144 4.350 -0.006 0.000 0.269 327 T C 1.544 176.376 174.700 0.220 0.000 1.042 327 T CA 1.686 63.917 62.100 0.217 0.000 1.140 327 T CB -0.541 68.433 68.868 0.176 0.000 0.864 327 T HN 0.387 nan 8.240 nan 0.000 0.455 328 H N 1.048 120.153 119.070 0.058 0.000 2.357 328 H HA 0.142 4.694 4.556 -0.006 0.000 0.301 328 H C 2.491 177.771 175.328 -0.080 0.000 1.082 328 H CA 1.370 57.378 56.048 -0.067 0.000 1.342 328 H CB -0.072 29.474 29.762 -0.361 0.000 1.389 328 H HN 0.102 nan 8.280 nan 0.000 0.511 329 R N -0.239 120.239 120.500 -0.037 0.000 2.127 329 R HA -0.091 4.245 4.340 -0.006 0.000 0.238 329 R C 1.871 178.054 176.300 -0.194 0.000 1.134 329 R CA 1.579 57.623 56.100 -0.094 0.000 0.975 329 R CB -0.055 30.247 30.300 0.004 0.000 0.865 329 R HN 0.394 nan 8.270 nan 0.000 0.447 330 L N -1.439 119.652 121.223 -0.219 0.000 2.354 330 L HA 0.088 4.424 4.340 -0.006 0.000 0.212 330 L C 0.157 176.438 176.870 -0.982 0.000 1.091 330 L CA 0.445 54.951 54.840 -0.556 0.000 0.828 330 L CB 0.350 42.093 42.059 -0.527 0.000 0.973 330 L HN 0.027 nan 8.230 nan 0.000 0.461 331 F N -0.509 119.370 119.950 -0.119 0.000 2.593 331 F HA 0.303 4.826 4.527 -0.007 0.000 0.336 331 F C -1.627 174.053 175.800 -0.201 0.000 1.491 331 F CA -1.641 56.285 58.000 -0.123 0.000 1.114 331 F CB 0.187 39.145 39.000 -0.069 0.000 1.468 331 F HN -0.181 nan 8.300 nan 0.000 0.579 332 P HA -0.183 nan 4.420 nan 0.000 0.222 332 P C 0.226 177.429 177.300 -0.162 0.000 1.142 332 P CA 1.440 64.249 63.100 -0.485 0.000 0.788 332 P CB 0.338 31.754 31.700 -0.474 0.000 0.767 333 N N -0.908 117.764 118.700 -0.048 0.000 2.214 333 N HA 0.056 4.793 4.740 -0.006 0.000 0.214 333 N C -0.182 175.328 175.510 -0.001 0.000 1.132 333 N CA 0.313 53.361 53.050 -0.004 0.000 0.856 333 N CB 0.432 38.917 38.487 -0.004 0.000 1.020 333 N HN 0.072 nan 8.380 nan 0.000 0.509 334 T N 2.279 116.844 114.554 0.019 0.000 2.842 334 T HA 0.325 4.671 4.350 -0.006 0.000 0.308 334 T C 0.579 175.282 174.700 0.005 0.000 1.041 334 T CA -0.768 61.316 62.100 -0.025 0.000 0.964 334 T CB 0.934 69.793 68.868 -0.015 0.000 0.972 334 T HN 0.127 nan 8.240 nan 0.000 0.460 335 M N 3.130 122.701 119.600 -0.048 0.000 2.252 335 M HA 0.370 4.846 4.480 -0.006 0.000 0.329 335 M C -0.921 175.435 176.300 0.093 0.000 1.101 335 M CA 0.374 55.701 55.300 0.044 0.000 1.117 335 M CB -0.147 32.470 32.600 0.028 0.000 1.563 335 M HN 0.374 nan 8.290 nan 0.000 0.445 336 L N 3.546 124.859 121.223 0.150 0.000 2.296 336 L HA 0.674 5.011 4.340 -0.006 0.000 0.286 336 L C -1.182 175.809 176.870 0.202 0.000 1.023 336 L CA -0.334 54.594 54.840 0.147 0.000 0.812 336 L CB 1.228 43.367 42.059 0.133 0.000 1.223 336 L HN 0.831 nan 8.230 nan 0.000 0.421 337 F N 2.753 122.719 119.950 0.027 0.000 2.569 337 F HA 0.710 5.233 4.527 -0.006 0.000 0.312 337 F C -0.351 175.429 175.800 -0.033 0.000 1.109 337 F CA -0.665 57.353 58.000 0.029 0.000 0.919 337 F CB 1.579 40.652 39.000 0.122 0.000 1.211 337 F HN 0.425 nan 8.300 nan 0.000 0.446 338 A N 3.261 125.642 122.820 -0.733 0.000 2.269 338 A HA 0.467 4.784 4.320 -0.006 0.000 0.302 338 A C 0.348 177.514 177.584 -0.698 0.000 1.266 338 A CA 0.182 51.851 52.037 -0.614 0.000 0.894 338 A CB 0.100 18.671 19.000 -0.715 0.000 1.147 338 A HN 0.968 nan 8.150 nan 0.000 0.537 339 S N 1.181 116.736 115.700 -0.240 0.000 2.524 339 S HA 0.284 4.750 4.470 -0.006 0.000 0.215 339 S C 0.235 174.586 174.600 -0.415 0.000 0.986 339 S CA 0.176 58.325 58.200 -0.087 0.000 0.911 339 S CB 0.105 63.434 63.200 0.214 0.000 0.805 339 S HN 0.802 nan 8.310 nan 0.000 0.501 340 E N -0.268 119.499 120.200 -0.721 0.000 2.388 340 E HA 0.597 4.943 4.350 -0.006 0.000 0.289 340 E C -1.921 174.152 176.600 -0.878 0.000 0.944 340 E CA -0.473 55.392 56.400 -0.892 0.000 0.792 340 E CB 1.797 30.623 29.700 -1.457 0.000 1.239 340 E HN 0.314 nan 8.360 nan 0.000 0.412 341 A N 2.296 124.664 122.820 -0.754 0.000 2.454 341 A HA 0.846 5.162 4.320 -0.006 0.000 0.302 341 A C -1.303 176.089 177.584 -0.319 0.000 1.079 341 A CA -0.512 51.118 52.037 -0.678 0.000 0.731 341 A CB 1.807 20.192 19.000 -1.026 0.000 1.299 341 A HN 0.609 nan 8.150 nan 0.000 0.413 342 C N 0.509 119.678 119.300 -0.217 0.000 2.985 342 C HA 0.815 5.272 4.460 -0.006 0.000 0.314 342 C C -0.862 174.217 174.990 0.148 0.000 1.215 342 C CA -0.255 58.786 59.018 0.039 0.000 1.414 342 C CB 1.503 29.262 27.740 0.030 0.000 1.842 342 C HN 1.169 nan 8.230 nan 0.000 0.477 343 V N 0.282 120.328 119.914 0.220 0.000 2.971 343 V HA 0.957 5.074 4.120 -0.006 0.000 0.309 343 V C 0.407 176.559 176.094 0.095 0.000 1.130 343 V CA 0.094 62.492 62.300 0.162 0.000 0.964 343 V CB 1.044 32.987 31.823 0.200 0.000 1.029 343 V HN 1.850 nan 8.190 nan 0.000 0.427 344 G N 2.111 110.907 108.800 -0.008 0.000 2.182 344 G HA2 -0.209 3.748 3.960 -0.006 0.000 0.248 344 G HA3 -0.209 3.748 3.960 -0.006 0.000 0.248 344 G C 0.489 175.375 174.900 -0.024 0.000 1.042 344 G CA 0.518 45.576 45.100 -0.070 0.000 0.775 344 G HN 1.079 nan 8.290 nan 0.000 0.501 345 S N -0.530 115.174 115.700 0.007 0.000 2.404 345 S HA 0.136 4.602 4.470 -0.006 0.000 0.223 345 S C 1.255 175.859 174.600 0.007 0.000 1.040 345 S CA 0.649 58.903 58.200 0.090 0.000 0.957 345 S CB 0.154 63.501 63.200 0.245 0.000 0.826 345 S HN 0.623 nan 8.310 nan 0.000 0.491 346 K N 2.269 122.573 120.400 -0.160 0.000 2.511 346 K HA -0.028 4.289 4.320 -0.006 0.000 0.280 346 K C 1.020 177.396 176.600 -0.374 0.000 1.008 346 K CA -0.028 56.074 56.287 -0.308 0.000 1.050 346 K CB 0.138 32.158 32.500 -0.800 0.000 0.889 346 K HN 0.377 nan 8.250 nan 0.000 0.484 347 F N 3.500 123.374 119.950 -0.128 0.000 2.141 347 F HA -0.260 4.263 4.527 -0.006 0.000 0.300 347 F C 1.496 177.300 175.800 0.007 0.000 1.079 347 F CA 0.982 58.968 58.000 -0.023 0.000 1.264 347 F CB -0.508 38.538 39.000 0.077 0.000 1.011 347 F HN 0.681 nan 8.300 nan 0.000 0.487 348 W N 1.566 122.279 121.300 -0.978 0.000 2.770 348 W HA 0.261 4.917 4.660 -0.007 0.000 0.256 348 W C -0.187 176.178 176.519 -0.257 0.000 1.291 348 W CA -0.163 56.810 57.345 -0.620 0.000 1.396 348 W CB -1.350 27.636 29.460 -0.791 0.000 1.114 348 W HN 0.143 nan 8.180 nan 0.000 0.637 349 E N 2.654 122.423 120.200 -0.719 0.000 2.316 349 E HA 0.063 4.409 4.350 -0.006 0.000 0.275 349 E C 0.005 176.491 176.600 -0.190 0.000 1.029 349 E CA -0.112 55.983 56.400 -0.509 0.000 0.871 349 E CB 0.737 29.995 29.700 -0.737 0.000 1.022 349 E HN 0.117 nan 8.360 nan 0.000 0.418 350 Q N 1.823 121.572 119.800 -0.085 0.000 2.300 350 Q HA 0.007 4.343 4.340 -0.006 0.000 0.280 350 Q C 0.807 176.775 176.000 -0.053 0.000 1.033 350 Q CA -0.124 55.662 55.803 -0.028 0.000 0.903 350 Q CB 0.785 29.520 28.738 -0.005 0.000 1.195 350 Q HN 0.523 nan 8.270 nan 0.000 0.386 351 S N 1.279 116.983 115.700 0.008 0.000 2.377 351 S HA -0.113 4.354 4.470 -0.006 0.000 0.224 351 S C 0.839 175.433 174.600 -0.010 0.000 1.042 351 S CA 0.911 59.139 58.200 0.047 0.000 1.086 351 S CB 0.170 63.454 63.200 0.140 0.000 0.995 351 S HN 0.473 nan 8.310 nan 0.000 0.428 352 V N 1.715 121.599 119.914 -0.050 0.000 2.435 352 V HA 0.435 4.551 4.120 -0.006 0.000 0.290 352 V C -0.041 175.937 176.094 -0.193 0.000 1.030 352 V CA -0.485 61.755 62.300 -0.101 0.000 0.881 352 V CB 1.498 33.265 31.823 -0.093 0.000 0.983 352 V HN 0.230 nan 8.190 nan 0.000 0.445 353 R N 4.408 124.722 120.500 -0.310 0.000 2.494 353 R HA 0.431 4.767 4.340 -0.006 0.000 0.284 353 R C -0.884 175.115 176.300 -0.502 0.000 1.525 353 R CA -0.567 55.111 56.100 -0.703 0.000 1.460 353 R CB 0.950 30.712 30.300 -0.897 0.000 1.134 353 R HN 0.637 nan 8.270 nan 0.000 0.592 354 L N 2.210 123.275 121.223 -0.263 0.000 2.780 354 L HA -0.076 4.260 4.340 -0.006 0.000 0.275 354 L C 1.241 178.172 176.870 0.102 0.000 1.153 354 L CA 1.032 55.763 54.840 -0.181 0.000 0.993 354 L CB 0.148 41.821 42.059 -0.644 0.000 1.319 354 L HN 0.993 nan 8.230 nan 0.000 0.479 355 G N 2.000 110.856 108.800 0.094 0.000 2.141 355 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.231 355 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.231 355 G C 0.346 175.383 174.900 0.228 0.000 0.984 355 G CA 0.140 45.372 45.100 0.220 0.000 0.660 355 G HN 0.643 nan 8.290 nan 0.000 0.525 356 S N -0.222 115.524 115.700 0.077 0.000 2.515 356 S HA 0.251 4.718 4.470 -0.006 0.000 0.285 356 S C 1.225 175.902 174.600 0.129 0.000 1.265 356 S CA 0.495 58.728 58.200 0.054 0.000 1.079 356 S CB 0.034 63.154 63.200 -0.134 0.000 0.877 356 S HN 0.446 nan 8.310 nan 0.000 0.493 357 W N 4.395 125.704 121.300 0.015 0.000 2.453 357 W HA -0.073 4.584 4.660 -0.006 0.000 0.289 357 W C 1.026 177.521 176.519 -0.041 0.000 1.215 357 W CA 1.071 58.426 57.345 0.016 0.000 1.297 357 W CB -0.345 29.117 29.460 0.003 0.000 1.113 357 W HN 0.788 nan 8.180 nan 0.000 0.551 358 D N -0.020 120.389 120.400 0.016 0.000 2.133 358 D HA -0.232 4.405 4.640 -0.006 0.000 0.195 358 D C 2.264 178.482 176.300 -0.137 0.000 0.997 358 D CA 2.064 56.033 54.000 -0.050 0.000 0.840 358 D CB -0.229 40.578 40.800 0.012 0.000 0.947 358 D HN 0.084 nan 8.370 nan 0.000 0.452 359 R N -0.145 120.276 120.500 -0.132 0.000 2.120 359 R HA -0.014 4.322 4.340 -0.006 0.000 0.234 359 R C 2.341 178.503 176.300 -0.230 0.000 1.123 359 R CA 1.118 57.147 56.100 -0.117 0.000 0.975 359 R CB -0.432 29.803 30.300 -0.108 0.000 0.866 359 R HN 0.204 nan 8.270 nan 0.000 0.446 360 G N 1.377 109.886 108.800 -0.485 0.000 2.464 360 G HA2 -0.254 3.702 3.960 -0.006 0.000 0.214 360 G HA3 -0.254 3.702 3.960 -0.006 0.000 0.214 360 G C 1.477 175.729 174.900 -1.079 0.000 1.218 360 G CA 0.628 45.194 45.100 -0.889 0.000 0.794 360 G HN 0.103 nan 8.290 nan 0.000 0.542 361 M N 0.145 119.080 119.600 -1.109 0.000 2.116 361 M HA -0.254 4.223 4.480 -0.006 0.000 0.255 361 M C 2.746 178.972 176.300 -0.123 0.000 1.075 361 M CA 1.854 56.863 55.300 -0.484 0.000 1.087 361 M CB -0.612 31.850 32.600 -0.230 0.000 1.340 361 M HN 0.329 nan 8.290 nan 0.000 0.402 362 Q N -0.818 118.945 119.800 -0.063 0.000 2.084 362 Q HA -0.193 4.143 4.340 -0.006 0.000 0.202 362 Q C 1.972 178.087 176.000 0.192 0.000 0.978 362 Q CA 1.625 57.499 55.803 0.119 0.000 0.844 362 Q CB -0.249 28.578 28.738 0.148 0.000 0.898 362 Q HN 0.479 nan 8.270 nan 0.000 0.426 363 Y N 0.895 121.163 120.300 -0.054 0.000 2.097 363 Y HA -0.279 4.267 4.550 -0.006 0.000 0.282 363 Y C 2.886 178.639 175.900 -0.245 0.000 1.152 363 Y CA 1.655 59.708 58.100 -0.078 0.000 1.136 363 Y CB -0.630 37.789 38.460 -0.068 0.000 0.975 363 Y HN 0.193 nan 8.280 nan 0.000 0.498 364 S N -1.236 114.502 115.700 0.064 0.000 2.368 364 S HA -0.257 4.209 4.470 -0.006 0.000 0.224 364 S C 2.034 176.636 174.600 0.003 0.000 1.029 364 S CA 1.418 59.659 58.200 0.069 0.000 0.988 364 S CB -1.038 62.478 63.200 0.526 0.000 0.838 364 S HN 0.643 nan 8.310 nan 0.000 0.462 365 H N 1.168 120.251 119.070 0.022 0.000 2.422 365 H HA -0.052 4.501 4.556 -0.006 0.000 0.298 365 H C 2.258 177.583 175.328 -0.005 0.000 1.098 365 H CA 1.614 57.685 56.048 0.038 0.000 1.315 365 H CB -0.265 29.534 29.762 0.062 0.000 1.382 365 H HN 0.562 nan 8.280 nan 0.000 0.523 366 S N -0.218 115.429 115.700 -0.088 0.000 2.414 366 S HA -0.017 4.449 4.470 -0.006 0.000 0.227 366 S C 2.269 176.735 174.600 -0.224 0.000 1.022 366 S CA 0.628 58.784 58.200 -0.074 0.000 0.958 366 S CB -0.132 63.162 63.200 0.156 0.000 0.797 366 S HN 0.421 nan 8.310 nan 0.000 0.493 367 I N 1.150 121.349 120.570 -0.617 0.000 2.353 367 I HA -0.061 4.106 4.170 -0.006 0.000 0.248 367 I C 2.081 177.896 176.117 -0.504 0.000 1.119 367 I CA 0.867 61.616 61.300 -0.919 0.000 1.417 367 I CB -0.237 36.783 38.000 -1.633 0.000 1.078 367 I HN 0.313 nan 8.210 nan 0.000 0.421 368 I N 0.188 120.542 120.570 -0.361 0.000 2.202 368 I HA -0.262 3.904 4.170 -0.006 0.000 0.242 368 I C 2.522 178.565 176.117 -0.123 0.000 1.091 368 I CA 1.508 62.736 61.300 -0.119 0.000 1.368 368 I CB -0.643 37.368 38.000 0.018 0.000 1.058 368 I HN 0.203 nan 8.210 nan 0.000 0.410 369 T N 0.701 115.143 114.554 -0.188 0.000 2.720 369 T HA -0.175 4.172 4.350 -0.006 0.000 0.268 369 T C 1.760 176.475 174.700 0.025 0.000 1.037 369 T CA 1.426 63.477 62.100 -0.083 0.000 1.144 369 T CB -0.380 68.374 68.868 -0.191 0.000 0.864 369 T HN 0.338 nan 8.240 nan 0.000 0.444 370 N N 0.931 119.618 118.700 -0.021 0.000 2.120 370 N HA -0.010 4.726 4.740 -0.006 0.000 0.188 370 N C 1.925 177.430 175.510 -0.008 0.000 1.024 370 N CA 1.019 54.086 53.050 0.028 0.000 0.852 370 N CB -0.271 38.288 38.487 0.120 0.000 1.003 370 N HN 0.349 nan 8.380 nan 0.000 0.424 371 L N 0.998 122.188 121.223 -0.056 0.000 2.093 371 L HA -0.084 4.252 4.340 -0.006 0.000 0.208 371 L C 2.235 178.987 176.870 -0.196 0.000 1.085 371 L CA 0.627 55.420 54.840 -0.077 0.000 0.755 371 L CB -0.278 41.771 42.059 -0.018 0.000 0.904 371 L HN 0.146 nan 8.230 nan 0.000 0.435 372 L N -1.636 119.460 121.223 -0.212 0.000 2.291 372 L HA -0.163 4.173 4.340 -0.006 0.000 0.214 372 L C 0.757 177.170 176.870 -0.762 0.000 1.120 372 L CA 0.828 55.402 54.840 -0.442 0.000 0.799 372 L CB -0.107 41.752 42.059 -0.333 0.000 0.925 372 L HN 0.240 nan 8.230 nan 0.000 0.446 373 Y N -0.758 119.315 120.300 -0.378 0.000 2.781 373 Y HA 0.213 4.760 4.550 -0.006 0.000 0.326 373 Y C 0.486 176.186 175.900 -0.333 0.000 1.019 373 Y CA -0.716 57.131 58.100 -0.421 0.000 1.372 373 Y CB -0.586 37.781 38.460 -0.155 0.000 1.260 373 Y HN 0.151 nan 8.280 nan 0.000 0.546 374 H N -3.280 115.697 119.070 -0.155 0.000 3.642 374 H HA -0.162 4.390 4.556 -0.006 0.000 0.185 374 H C 0.231 175.534 175.328 -0.040 0.000 0.992 374 H CA 0.615 56.569 56.048 -0.157 0.000 1.216 374 H CB -1.585 27.977 29.762 -0.334 0.000 1.055 374 H HN 0.110 nan 8.280 nan 0.000 0.351 375 V N 3.027 122.979 119.914 0.064 0.000 2.585 375 V HA 0.012 4.129 4.120 -0.006 0.000 0.296 375 V C 2.055 178.162 176.094 0.022 0.000 1.035 375 V CA 0.839 63.167 62.300 0.046 0.000 1.084 375 V CB 1.445 33.270 31.823 0.003 0.000 0.953 375 V HN 0.359 nan 8.190 nan 0.000 0.483 376 V N 1.795 121.746 119.914 0.061 0.000 3.649 376 V HA 0.604 4.720 4.120 -0.006 0.000 0.275 376 V C 0.725 176.784 176.094 -0.058 0.000 1.281 376 V CA 0.889 63.224 62.300 0.057 0.000 1.143 376 V CB -0.312 31.604 31.823 0.154 0.000 0.892 376 V HN 0.933 nan 8.190 nan 0.000 0.441 377 G N -1.358 107.302 108.800 -0.233 0.000 2.646 377 G HA2 0.483 4.440 3.960 -0.006 0.000 0.291 377 G HA3 0.483 4.440 3.960 -0.006 0.000 0.291 377 G C -2.602 171.814 174.900 -0.806 0.000 1.445 377 G CA -0.683 44.059 45.100 -0.597 0.000 0.814 377 G HN 0.272 nan 8.290 nan 0.000 0.495 378 W N 1.304 121.987 121.300 -1.028 0.000 2.884 378 W HA 0.588 5.244 4.660 -0.006 0.000 0.336 378 W C -0.654 175.558 176.519 -0.510 0.000 1.038 378 W CA -0.394 56.532 57.345 -0.698 0.000 1.247 378 W CB 2.177 31.383 29.460 -0.424 0.000 1.351 378 W HN 0.539 nan 8.180 nan 0.000 0.446 379 T N 4.418 118.629 114.554 -0.572 0.000 2.771 379 T HA 0.140 4.486 4.350 -0.006 0.000 0.281 379 T C -0.530 173.896 174.700 -0.458 0.000 0.982 379 T CA -0.369 61.537 62.100 -0.323 0.000 0.978 379 T CB 1.315 70.117 68.868 -0.111 0.000 0.930 379 T HN 0.326 nan 8.240 nan 0.000 0.447 380 D N 0.963 121.285 120.400 -0.131 0.000 2.377 380 D HA 0.191 4.828 4.640 -0.006 0.000 0.245 380 D C 0.374 176.747 176.300 0.121 0.000 1.196 380 D CA -0.690 53.318 54.000 0.013 0.000 0.962 380 D CB 0.881 41.905 40.800 0.373 0.000 1.127 380 D HN 0.566 nan 8.370 nan 0.000 0.471 381 W N 1.123 122.364 121.300 -0.098 0.000 1.592 381 W HA 0.069 4.725 4.660 -0.006 0.000 0.624 381 W C 0.356 176.820 176.519 -0.091 0.000 1.311 381 W CA -0.623 56.650 57.345 -0.120 0.000 1.187 381 W CB -0.020 29.352 29.460 -0.146 0.000 3.278 381 W HN 0.223 nan 8.180 nan 0.000 0.762 382 N N 2.623 120.996 118.700 -0.544 0.000 2.411 382 N HA -0.074 4.663 4.740 -0.006 0.000 0.261 382 N C 0.890 176.280 175.510 -0.200 0.000 1.248 382 N CA 0.460 53.123 53.050 -0.643 0.000 0.885 382 N CB 1.022 38.955 38.487 -0.923 0.000 1.062 382 N HN 0.340 nan 8.380 nan 0.000 0.471 383 L N 1.152 122.308 121.223 -0.111 0.000 2.083 383 L HA -0.112 4.225 4.340 -0.006 0.000 0.209 383 L C 1.019 177.992 176.870 0.172 0.000 1.083 383 L CA 1.034 55.898 54.840 0.041 0.000 0.752 383 L CB -0.133 41.954 42.059 0.047 0.000 0.899 383 L HN 0.603 nan 8.230 nan 0.000 0.433 384 A N -1.016 121.817 122.820 0.023 0.000 2.589 384 A HA 0.735 5.051 4.320 -0.006 0.000 0.296 384 A C -1.271 176.274 177.584 -0.064 0.000 1.062 384 A CA -0.488 51.556 52.037 0.011 0.000 0.686 384 A CB 1.415 20.419 19.000 0.007 0.000 1.282 384 A HN -0.013 nan 8.150 nan 0.000 0.404 385 L N 0.913 122.112 121.223 -0.040 0.000 2.341 385 L HA 0.478 4.814 4.340 -0.006 0.000 0.254 385 L C -0.019 176.848 176.870 -0.006 0.000 1.040 385 L CA -1.207 53.615 54.840 -0.030 0.000 0.837 385 L CB 2.349 44.391 42.059 -0.029 0.000 1.425 385 L HN 1.019 nan 8.230 nan 0.000 0.414 386 N N -0.113 118.586 118.700 -0.002 0.000 2.327 386 N HA 0.257 4.993 4.740 -0.006 0.000 0.257 386 N C -2.365 173.123 175.510 -0.036 0.000 1.281 386 N CA -1.438 51.603 53.050 -0.015 0.000 0.942 386 N CB -0.258 38.214 38.487 -0.024 0.000 1.199 386 N HN 0.174 nan 8.380 nan 0.000 0.532 387 P HA -0.125 nan 4.420 nan 0.000 0.223 387 P C 0.515 177.744 177.300 -0.119 0.000 1.144 387 P CA 1.246 64.315 63.100 -0.052 0.000 0.783 387 P CB 0.083 31.774 31.700 -0.014 0.000 0.771 388 E N -0.605 119.474 120.200 -0.202 0.000 2.472 388 E HA 0.096 4.443 4.350 -0.006 0.000 0.196 388 E C 0.898 177.203 176.600 -0.491 0.000 1.033 388 E CA 0.563 56.732 56.400 -0.385 0.000 0.886 388 E CB -0.484 28.899 29.700 -0.529 0.000 0.944 388 E HN 0.091 nan 8.360 nan 0.000 0.492 389 G N 0.331 109.002 108.800 -0.216 0.000 2.137 389 G HA2 -0.216 3.741 3.960 -0.006 0.000 0.237 389 G HA3 -0.216 3.741 3.960 -0.006 0.000 0.237 389 G C 0.264 175.315 174.900 0.253 0.000 1.002 389 G CA 0.083 45.198 45.100 0.025 0.000 0.702 389 G HN 0.602 nan 8.290 nan 0.000 0.515 390 G N -0.594 108.232 108.800 0.042 0.000 3.107 390 G HA2 0.870 4.826 3.960 -0.006 0.000 0.232 390 G HA3 0.870 4.826 3.960 -0.006 0.000 0.232 390 G C -2.726 172.309 174.900 0.225 0.000 1.339 390 G CA -0.770 44.527 45.100 0.327 0.000 1.033 390 G HN 0.226 nan 8.290 nan 0.000 0.567 391 P HA 0.136 nan 4.420 nan 0.000 0.275 391 P C -1.147 176.286 177.300 0.220 0.000 1.227 391 P CA -0.179 63.063 63.100 0.237 0.000 0.781 391 P CB 1.263 33.052 31.700 0.148 0.000 0.906 392 N N 3.396 122.178 118.700 0.138 0.000 2.533 392 N HA 0.049 4.785 4.740 -0.006 0.000 0.289 392 N C 1.014 176.369 175.510 -0.257 0.000 1.103 392 N CA -0.632 52.206 53.050 -0.353 0.000 0.877 392 N CB 0.968 38.934 38.487 -0.868 0.000 1.419 392 N HN 0.552 nan 8.380 nan 0.000 0.517 393 W N 4.515 125.661 121.300 -0.257 0.000 2.632 393 W HA 0.020 4.676 4.660 -0.007 0.000 0.248 393 W C 0.158 176.565 176.519 -0.187 0.000 1.259 393 W CA 0.523 57.769 57.345 -0.165 0.000 1.288 393 W CB -0.564 28.833 29.460 -0.104 0.000 1.136 393 W HN 0.244 nan 8.180 nan 0.000 0.640 394 V N -1.292 118.070 119.914 -0.920 0.000 3.166 394 V HA 0.446 4.562 4.120 -0.006 0.000 0.332 394 V C 0.882 176.571 176.094 -0.675 0.000 1.434 394 V CA -0.662 61.108 62.300 -0.884 0.000 1.121 394 V CB -0.679 30.480 31.823 -1.108 0.000 1.062 394 V HN 0.144 nan 8.190 nan 0.000 0.489 395 R N 0.839 120.876 120.500 -0.772 0.000 3.422 395 R HA -0.197 4.139 4.340 -0.006 0.000 0.267 395 R C 0.340 175.940 176.300 -1.167 0.000 1.074 395 R CA 1.001 56.391 56.100 -1.183 0.000 0.718 395 R CB -2.197 27.724 30.300 -0.632 0.000 1.157 395 R HN 0.716 nan 8.270 nan 0.000 0.440 396 N N 1.041 119.142 118.700 -1.000 0.000 2.994 396 N HA 0.119 4.855 4.740 -0.006 0.000 0.306 396 N C -0.497 174.773 175.510 -0.399 0.000 1.348 396 N CA -0.284 52.405 53.050 -0.601 0.000 1.109 396 N CB 0.108 38.270 38.487 -0.541 0.000 1.415 396 N HN 0.179 nan 8.380 nan 0.000 0.529 397 F N -0.034 119.875 119.950 -0.069 0.000 2.518 397 F HA 0.211 4.734 4.527 -0.006 0.000 0.359 397 F C 1.258 177.167 175.800 0.182 0.000 1.118 397 F CA -0.493 57.569 58.000 0.103 0.000 1.287 397 F CB 0.458 39.492 39.000 0.056 0.000 1.132 397 F HN -0.056 nan 8.300 nan 0.000 0.587 398 V N -1.664 118.538 119.914 0.480 0.000 3.076 398 V HA 0.561 4.678 4.120 -0.006 0.000 0.311 398 V C -1.046 175.164 176.094 0.194 0.000 1.346 398 V CA -0.996 61.484 62.300 0.299 0.000 1.056 398 V CB 1.688 33.718 31.823 0.344 0.000 1.093 398 V HN 0.574 nan 8.190 nan 0.000 0.468 399 D N -0.131 120.346 120.400 0.128 0.000 2.432 399 D HA 0.719 5.355 4.640 -0.006 0.000 0.258 399 D C -0.662 175.673 176.300 0.058 0.000 1.146 399 D CA 0.215 54.251 54.000 0.059 0.000 1.015 399 D CB 1.991 42.800 40.800 0.015 0.000 1.107 399 D HN 0.919 nan 8.370 nan 0.000 0.529 400 S N -0.364 115.350 115.700 0.023 0.000 2.533 400 S HA 0.420 4.886 4.470 -0.006 0.000 0.271 400 S C -2.312 172.319 174.600 0.052 0.000 1.143 400 S CA -1.159 57.066 58.200 0.042 0.000 0.891 400 S CB 1.740 64.939 63.200 -0.002 0.000 1.105 400 S HN 0.093 nan 8.310 nan 0.000 0.468 401 P HA 0.079 nan 4.420 nan 0.000 0.218 401 P C -0.339 177.040 177.300 0.131 0.000 1.146 401 P CA 1.225 64.420 63.100 0.159 0.000 0.813 401 P CB 0.064 31.984 31.700 0.367 0.000 0.778 402 I N -0.675 119.964 120.570 0.117 0.000 2.499 402 I HA 0.237 4.404 4.170 -0.006 0.000 0.288 402 I C -0.624 175.525 176.117 0.053 0.000 1.048 402 I CA -1.010 60.311 61.300 0.035 0.000 1.062 402 I CB 2.352 40.302 38.000 -0.084 0.000 1.238 402 I HN -0.313 nan 8.210 nan 0.000 0.426 403 I N 6.896 127.523 120.570 0.096 0.000 2.378 403 I HA 0.351 4.517 4.170 -0.006 0.000 0.291 403 I C -0.006 176.155 176.117 0.075 0.000 0.992 403 I CA -0.812 60.547 61.300 0.098 0.000 1.154 403 I CB 1.781 39.873 38.000 0.154 0.000 1.315 403 I HN 0.112 nan 8.210 nan 0.000 0.448 404 V N 5.566 125.494 119.914 0.023 0.000 2.394 404 V HA 0.260 4.377 4.120 -0.006 0.000 0.282 404 V C 0.066 176.152 176.094 -0.012 0.000 1.031 404 V CA -0.524 61.770 62.300 -0.010 0.000 0.881 404 V CB 1.738 33.551 31.823 -0.018 0.000 0.982 404 V HN 0.592 nan 8.190 nan 0.000 0.451 405 D N 4.431 124.790 120.400 -0.068 0.000 2.505 405 D HA 0.332 4.969 4.640 -0.006 0.000 0.242 405 D C 1.155 177.451 176.300 -0.007 0.000 1.136 405 D CA -0.238 53.759 54.000 -0.005 0.000 0.954 405 D CB 0.780 41.598 40.800 0.029 0.000 1.002 405 D HN 0.476 nan 8.370 nan 0.000 0.512 406 I N 1.042 121.615 120.570 0.006 0.000 2.300 406 I HA -0.324 3.842 4.170 -0.006 0.000 0.252 406 I C 2.413 178.538 176.117 0.013 0.000 1.119 406 I CA 1.555 62.861 61.300 0.009 0.000 1.384 406 I CB -0.267 37.739 38.000 0.010 0.000 1.062 406 I HN 0.383 nan 8.210 nan 0.000 0.426 407 T N -1.919 112.648 114.554 0.022 0.000 3.072 407 T HA -0.062 4.285 4.350 -0.006 0.000 0.266 407 T C 1.325 176.039 174.700 0.024 0.000 1.127 407 T CA 0.707 62.822 62.100 0.025 0.000 1.107 407 T CB -0.131 68.757 68.868 0.034 0.000 0.910 407 T HN 0.395 nan 8.240 nan 0.000 0.513 408 K N 0.755 121.166 120.400 0.020 0.000 2.506 408 K HA 0.192 4.509 4.320 -0.006 0.000 0.204 408 K C -0.059 176.536 176.600 -0.009 0.000 1.045 408 K CA 0.029 56.324 56.287 0.013 0.000 1.074 408 K CB 0.384 32.903 32.500 0.031 0.000 0.842 408 K HN 0.158 nan 8.250 nan 0.000 0.514 409 D N 2.071 122.469 120.400 -0.003 0.000 2.706 409 D HA -0.161 4.475 4.640 -0.006 0.000 0.230 409 D C -1.117 175.173 176.300 -0.017 0.000 1.184 409 D CA 1.118 55.121 54.000 0.005 0.000 0.628 409 D CB -0.644 40.163 40.800 0.011 0.000 1.019 409 D HN 0.130 nan 8.370 nan 0.000 0.415 410 T N 0.489 115.003 114.554 -0.067 0.000 2.893 410 T HA 0.682 5.028 4.350 -0.006 0.000 0.291 410 T C -0.461 174.089 174.700 -0.250 0.000 1.028 410 T CA -0.662 61.312 62.100 -0.209 0.000 0.995 410 T CB 1.027 69.733 68.868 -0.269 0.000 1.051 410 T HN 0.199 nan 8.240 nan 0.000 0.470 411 F N 0.367 120.050 119.950 -0.447 0.000 2.578 411 F HA 0.788 5.312 4.527 -0.006 0.000 0.311 411 F C -1.837 173.685 175.800 -0.464 0.000 1.094 411 F CA -1.614 56.109 58.000 -0.462 0.000 0.923 411 F CB 0.993 39.847 39.000 -0.243 0.000 1.230 411 F HN 0.466 nan 8.300 nan 0.000 0.450 412 Y N 1.369 121.762 120.300 0.157 0.000 2.341 412 Y HA 0.494 5.040 4.550 -0.006 0.000 0.338 412 Y C -0.295 175.631 175.900 0.043 0.000 0.965 412 Y CA -1.191 56.947 58.100 0.064 0.000 1.108 412 Y CB 1.842 40.332 38.460 0.049 0.000 1.180 412 Y HN 0.441 nan 8.280 nan 0.000 0.458 413 K N 4.576 125.055 120.400 0.131 0.000 2.267 413 K HA 0.224 4.540 4.320 -0.006 0.000 0.282 413 K C -0.356 176.358 176.600 0.189 0.000 1.078 413 K CA -0.453 55.784 56.287 -0.084 0.000 0.903 413 K CB 0.883 33.077 32.500 -0.510 0.000 1.111 413 K HN 0.694 nan 8.250 nan 0.000 0.475 414 Q N 2.322 122.226 119.800 0.174 0.000 2.317 414 Q HA 0.071 4.408 4.340 -0.006 0.000 0.229 414 Q C -1.698 174.528 176.000 0.376 0.000 0.984 414 Q CA -1.854 54.091 55.803 0.236 0.000 0.911 414 Q CB 0.437 29.239 28.738 0.106 0.000 1.217 414 Q HN 0.244 nan 8.270 nan 0.000 0.501 415 P HA -0.226 nan 4.420 nan 0.000 0.217 415 P C 1.081 178.588 177.300 0.345 0.000 1.148 415 P CA 1.774 65.143 63.100 0.448 0.000 0.834 415 P CB 0.103 31.972 31.700 0.282 0.000 0.783 416 M N -2.854 116.788 119.600 0.071 0.000 2.108 416 M HA -0.168 4.308 4.480 -0.006 0.000 0.261 416 M C 2.062 178.402 176.300 0.067 0.000 1.066 416 M CA 1.800 57.022 55.300 -0.130 0.000 1.107 416 M CB -1.116 31.143 32.600 -0.568 0.000 1.356 416 M HN -0.082 nan 8.290 nan 0.000 0.406 417 F N 0.652 120.572 119.950 -0.049 0.000 2.120 417 F HA -0.283 4.240 4.527 -0.006 0.000 0.300 417 F C 1.902 177.593 175.800 -0.181 0.000 1.095 417 F CA 1.707 59.616 58.000 -0.153 0.000 1.249 417 F CB -0.390 38.359 39.000 -0.419 0.000 0.995 417 F HN -0.001 nan 8.300 nan 0.000 0.480 418 Y N -0.832 119.669 120.300 0.334 0.000 2.263 418 Y HA -0.168 4.378 4.550 -0.006 0.000 0.292 418 Y C 2.779 178.800 175.900 0.202 0.000 1.130 418 Y CA 1.679 59.926 58.100 0.246 0.000 1.179 418 Y CB -0.938 37.748 38.460 0.376 0.000 0.998 418 Y HN 0.137 nan 8.280 nan 0.000 0.532 419 H N -0.446 118.792 119.070 0.280 0.000 2.387 419 H HA -0.142 4.411 4.556 -0.006 0.000 0.299 419 H C 2.259 177.748 175.328 0.269 0.000 1.090 419 H CA 1.601 57.792 56.048 0.239 0.000 1.332 419 H CB -0.198 29.608 29.762 0.073 0.000 1.386 419 H HN 0.354 nan 8.280 nan 0.000 0.516 420 L N -0.127 121.232 121.223 0.227 0.000 2.056 420 L HA -0.070 4.266 4.340 -0.006 0.000 0.207 420 L C 2.827 179.697 176.870 -0.000 0.000 1.078 420 L CA 1.013 55.930 54.840 0.128 0.000 0.749 420 L CB -0.480 41.683 42.059 0.174 0.000 0.901 420 L HN 0.269 nan 8.230 nan 0.000 0.433 421 G N -1.691 106.990 108.800 -0.197 0.000 2.440 421 G HA2 -0.291 3.665 3.960 -0.006 0.000 0.218 421 G HA3 -0.291 3.665 3.960 -0.006 0.000 0.218 421 G C 1.343 176.034 174.900 -0.350 0.000 1.154 421 G CA 0.528 45.402 45.100 -0.377 0.000 0.767 421 G HN 0.432 nan 8.290 nan 0.000 0.552 422 H N -0.801 118.192 119.070 -0.129 0.000 2.518 422 H HA -0.057 4.496 4.556 -0.006 0.000 0.294 422 H C 1.784 176.885 175.328 -0.378 0.000 1.083 422 H CA 1.285 57.248 56.048 -0.141 0.000 1.264 422 H CB 0.051 29.688 29.762 -0.209 0.000 1.370 422 H HN 0.495 nan 8.280 nan 0.000 0.560 423 F N -0.551 119.266 119.950 -0.223 0.000 2.539 423 F HA -0.063 4.461 4.527 -0.006 0.000 0.277 423 F C 2.768 178.084 175.800 -0.807 0.000 0.925 423 F CA 0.572 58.284 58.000 -0.480 0.000 1.193 423 F CB -0.636 37.935 39.000 -0.714 0.000 1.128 423 F HN -0.022 nan 8.300 nan 0.000 0.740 424 S N 0.617 115.869 115.700 -0.746 0.000 2.392 424 S HA -0.323 4.143 4.470 -0.006 0.000 0.232 424 S C 1.931 176.259 174.600 -0.453 0.000 1.041 424 S CA 1.885 59.709 58.200 -0.625 0.000 1.026 424 S CB -0.712 62.368 63.200 -0.199 0.000 0.845 424 S HN 0.407 nan 8.310 nan 0.000 0.465 425 K N 0.024 120.007 120.400 -0.694 0.000 2.296 425 K HA 0.151 4.467 4.320 -0.006 0.000 0.200 425 K C 0.602 176.595 176.600 -1.010 0.000 1.048 425 K CA 0.813 56.494 56.287 -1.010 0.000 0.966 425 K CB -0.058 31.450 32.500 -1.654 0.000 0.754 425 K HN 0.593 nan 8.250 nan 0.000 0.466 426 F N -0.140 119.617 119.950 -0.322 0.000 2.706 426 F HA 0.314 4.837 4.527 -0.006 0.000 0.313 426 F C 0.139 175.865 175.800 -0.123 0.000 1.096 426 F CA -0.630 57.241 58.000 -0.216 0.000 1.219 426 F CB 0.933 39.804 39.000 -0.216 0.000 1.051 426 F HN -0.185 nan 8.300 nan 0.000 0.568 427 I N 3.242 123.788 120.570 -0.039 0.000 2.750 427 I HA 0.231 4.397 4.170 -0.006 0.000 0.279 427 I C -2.402 173.736 176.117 0.034 0.000 1.206 427 I CA -1.943 59.378 61.300 0.034 0.000 1.101 427 I CB 0.404 38.510 38.000 0.177 0.000 1.431 427 I HN -0.222 nan 8.210 nan 0.000 0.551 428 P HA -0.008 nan 4.420 nan 0.000 0.271 428 P C -0.100 177.190 177.300 -0.017 0.000 1.233 428 P CA -0.112 62.935 63.100 -0.088 0.000 0.789 428 P CB 0.885 32.471 31.700 -0.190 0.000 0.951 429 E N -0.274 119.918 120.200 -0.014 0.000 2.415 429 E HA 0.233 4.579 4.350 -0.006 0.000 0.263 429 E C 1.079 177.674 176.600 -0.008 0.000 0.995 429 E CA 0.820 57.210 56.400 -0.017 0.000 0.915 429 E CB -0.592 29.078 29.700 -0.049 0.000 0.951 429 E HN 0.766 nan 8.360 nan 0.000 0.449 430 G N 2.984 111.790 108.800 0.010 0.000 2.213 430 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.236 430 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.236 430 G C 0.329 175.256 174.900 0.046 0.000 0.991 430 G CA 0.122 45.238 45.100 0.026 0.000 0.629 430 G HN 0.592 nan 8.290 nan 0.000 0.517 431 S N 0.176 115.906 115.700 0.050 0.000 2.566 431 S HA 0.420 4.886 4.470 -0.006 0.000 0.280 431 S C 0.253 174.911 174.600 0.096 0.000 1.343 431 S CA 0.835 59.086 58.200 0.086 0.000 1.036 431 S CB 1.350 64.616 63.200 0.110 0.000 0.866 431 S HN 0.762 nan 8.310 nan 0.000 0.526 432 Q N 1.958 121.819 119.800 0.102 0.000 2.310 432 Q HA 0.345 4.681 4.340 -0.006 0.000 0.270 432 Q C -0.530 175.545 176.000 0.125 0.000 1.025 432 Q CA -0.759 55.108 55.803 0.106 0.000 0.772 432 Q CB 1.003 29.791 28.738 0.084 0.000 1.253 432 Q HN 0.620 nan 8.270 nan 0.000 0.450 433 R N 2.975 123.568 120.500 0.154 0.000 2.522 433 R HA 0.222 4.559 4.340 -0.006 0.000 0.284 433 R C -0.392 176.083 176.300 0.292 0.000 1.032 433 R CA 0.219 56.422 56.100 0.173 0.000 1.049 433 R CB 0.335 30.703 30.300 0.113 0.000 0.956 433 R HN 0.545 nan 8.270 nan 0.000 0.422 434 V N 1.441 121.495 119.914 0.233 0.000 3.166 434 V HA 0.773 4.889 4.120 -0.006 0.000 0.317 434 V C 0.455 176.739 176.094 0.317 0.000 1.136 434 V CA -0.623 61.834 62.300 0.261 0.000 1.035 434 V CB 1.380 33.264 31.823 0.102 0.000 1.110 434 V HN 0.824 nan 8.190 nan 0.000 0.450 435 G N -0.053 108.934 108.800 0.312 0.000 2.636 435 G HA2 0.529 4.485 3.960 -0.006 0.000 0.246 435 G HA3 0.529 4.485 3.960 -0.006 0.000 0.246 435 G C -0.979 173.993 174.900 0.121 0.000 1.216 435 G CA -0.083 45.187 45.100 0.283 0.000 0.854 435 G HN 1.464 nan 8.290 nan 0.000 0.572 436 L N 1.222 122.489 121.223 0.073 0.000 2.811 436 L HA 0.330 4.666 4.340 -0.006 0.000 0.251 436 L C -0.224 176.657 176.870 0.018 0.000 0.971 436 L CA -0.612 54.251 54.840 0.037 0.000 0.990 436 L CB 1.373 43.450 42.059 0.030 0.000 1.320 436 L HN 0.592 nan 8.230 nan 0.000 0.473 437 V N 1.688 121.612 119.914 0.017 0.000 2.567 437 V HA 0.965 5.081 4.120 -0.006 0.000 0.289 437 V C 0.737 176.834 176.094 0.005 0.000 1.049 437 V CA -0.082 62.225 62.300 0.012 0.000 0.969 437 V CB 1.177 33.010 31.823 0.017 0.000 0.995 437 V HN 0.896 nan 8.190 nan 0.000 0.471 438 A N 3.121 125.946 122.820 0.008 0.000 2.301 438 A HA 0.609 4.925 4.320 -0.006 0.000 0.312 438 A C 1.173 178.767 177.584 0.018 0.000 1.182 438 A CA 0.055 52.098 52.037 0.010 0.000 0.826 438 A CB 1.147 20.155 19.000 0.013 0.000 1.134 438 A HN 1.549 nan 8.150 nan 0.000 0.501 439 S N 0.999 116.713 115.700 0.023 0.000 2.515 439 S HA 0.081 4.547 4.470 -0.006 0.000 0.231 439 S C 0.551 175.169 174.600 0.030 0.000 0.987 439 S CA 0.857 59.077 58.200 0.032 0.000 0.936 439 S CB -0.466 62.764 63.200 0.050 0.000 0.766 439 S HN 1.031 nan 8.310 nan 0.000 0.528 440 Q N -0.877 118.939 119.800 0.026 0.000 2.804 440 Q HA 0.396 4.732 4.340 -0.006 0.000 0.302 440 Q C -1.811 174.203 176.000 0.023 0.000 0.885 440 Q CA -1.184 54.633 55.803 0.024 0.000 0.759 440 Q CB 0.435 29.188 28.738 0.024 0.000 1.465 440 Q HN -0.013 nan 8.270 nan 0.000 0.432 441 K N 1.278 121.692 120.400 0.023 0.000 2.447 441 K HA 0.133 4.449 4.320 -0.006 0.000 0.281 441 K C -0.694 175.919 176.600 0.022 0.000 1.031 441 K CA 0.854 57.155 56.287 0.024 0.000 1.019 441 K CB 0.079 32.593 32.500 0.024 0.000 0.918 441 K HN 0.676 nan 8.250 nan 0.000 0.476 442 N N 0.301 119.016 118.700 0.025 0.000 2.610 442 N HA 0.207 4.944 4.740 -0.006 0.000 0.264 442 N C -1.089 174.438 175.510 0.028 0.000 1.348 442 N CA -0.863 52.201 53.050 0.023 0.000 0.819 442 N CB 1.285 39.785 38.487 0.020 0.000 1.521 442 N HN 0.170 nan 8.380 nan 0.000 0.497 443 D N 0.043 120.457 120.400 0.023 0.000 2.342 443 D HA 0.194 4.830 4.640 -0.006 0.000 0.221 443 D C -0.101 176.223 176.300 0.040 0.000 1.101 443 D CA 0.152 54.169 54.000 0.028 0.000 0.837 443 D CB 0.092 40.899 40.800 0.013 0.000 0.938 443 D HN 0.391 nan 8.370 nan 0.000 0.508 444 L N 0.577 121.826 121.223 0.042 0.000 2.399 444 L HA 0.344 4.681 4.340 -0.006 0.000 0.265 444 L C 0.296 177.216 176.870 0.084 0.000 1.089 444 L CA -0.563 54.310 54.840 0.055 0.000 0.802 444 L CB 1.166 43.247 42.059 0.035 0.000 1.180 444 L HN -0.260 nan 8.230 nan 0.000 0.454 445 D N 1.760 122.228 120.400 0.114 0.000 2.344 445 D HA 0.617 5.253 4.640 -0.006 0.000 0.239 445 D C -0.672 175.697 176.300 0.115 0.000 1.064 445 D CA -0.054 54.029 54.000 0.140 0.000 0.829 445 D CB 2.391 43.331 40.800 0.234 0.000 1.129 445 D HN 0.601 nan 8.370 nan 0.000 0.506 446 A N 1.550 124.421 122.820 0.084 0.000 2.556 446 A HA 0.756 5.072 4.320 -0.006 0.000 0.294 446 A C -1.413 176.209 177.584 0.063 0.000 1.091 446 A CA -0.779 51.306 52.037 0.079 0.000 0.704 446 A CB 2.337 21.371 19.000 0.056 0.000 1.300 446 A HN 0.346 nan 8.150 nan 0.000 0.406 447 V N 0.046 120.008 119.914 0.079 0.000 2.891 447 V HA 0.746 4.862 4.120 -0.006 0.000 0.304 447 V C -0.440 175.692 176.094 0.063 0.000 1.171 447 V CA 0.263 62.598 62.300 0.058 0.000 0.943 447 V CB 1.777 33.656 31.823 0.092 0.000 1.037 447 V HN 2.032 nan 8.190 nan 0.000 0.427 448 A N 6.032 128.877 122.820 0.041 0.000 2.330 448 A HA 1.057 5.373 4.320 -0.006 0.000 0.329 448 A C -1.473 176.135 177.584 0.040 0.000 1.135 448 A CA -0.579 51.477 52.037 0.032 0.000 0.817 448 A CB 1.559 20.579 19.000 0.033 0.000 1.269 448 A HN 0.983 nan 8.150 nan 0.000 0.469 449 L N 0.100 121.331 121.223 0.013 0.000 2.622 449 L HA 0.555 4.891 4.340 -0.006 0.000 0.258 449 L C -0.576 176.290 176.870 -0.006 0.000 0.996 449 L CA -0.125 54.745 54.840 0.050 0.000 0.858 449 L CB 1.936 44.062 42.059 0.112 0.000 1.449 449 L HN 0.709 nan 8.230 nan 0.000 0.411 450 M N 0.783 120.401 119.600 0.030 0.000 2.243 450 M HA 0.442 4.918 4.480 -0.006 0.000 0.324 450 M C -0.461 175.904 176.300 0.109 0.000 1.031 450 M CA -0.480 54.811 55.300 -0.014 0.000 0.949 450 M CB 1.611 34.195 32.600 -0.026 0.000 1.615 450 M HN 0.622 nan 8.290 nan 0.000 0.430 451 H N 2.836 121.873 119.070 -0.055 0.000 2.801 451 H HA 0.003 4.555 4.556 -0.006 0.000 0.377 451 H C -1.599 173.725 175.328 -0.006 0.000 1.304 451 H CA -1.263 54.780 56.048 -0.008 0.000 1.451 451 H CB 0.226 29.996 29.762 0.013 0.000 1.474 451 H HN 0.428 nan 8.280 nan 0.000 0.620 452 P HA -0.165 nan 4.420 nan 0.000 0.217 452 P C 0.843 178.182 177.300 0.065 0.000 1.150 452 P CA 1.606 64.751 63.100 0.075 0.000 0.832 452 P CB 0.033 31.763 31.700 0.050 0.000 0.787 453 D N -1.727 118.725 120.400 0.086 0.000 2.378 453 D HA 0.019 4.655 4.640 -0.006 0.000 0.227 453 D C 1.394 177.679 176.300 -0.025 0.000 1.012 453 D CA 0.991 55.013 54.000 0.037 0.000 0.905 453 D CB -1.008 39.824 40.800 0.052 0.000 0.895 453 D HN 0.248 nan 8.370 nan 0.000 0.532 454 G N -0.426 108.360 108.800 -0.024 0.000 2.176 454 G HA2 -0.259 3.698 3.960 -0.006 0.000 0.232 454 G HA3 -0.259 3.698 3.960 -0.006 0.000 0.232 454 G C 0.388 175.182 174.900 -0.178 0.000 0.986 454 G CA 0.272 45.327 45.100 -0.076 0.000 0.643 454 G HN 0.773 nan 8.290 nan 0.000 0.522 455 S N 0.017 115.550 115.700 -0.278 0.000 2.632 455 S HA 0.822 5.288 4.470 -0.006 0.000 0.267 455 S C 0.489 174.713 174.600 -0.627 0.000 1.276 455 S CA 0.332 58.226 58.200 -0.510 0.000 0.998 455 S CB 2.136 64.901 63.200 -0.724 0.000 0.953 455 S HN 1.840 nan 8.310 nan 0.000 0.547 456 A N 0.337 122.631 122.820 -0.876 0.000 2.282 456 A HA 0.792 5.108 4.320 -0.006 0.000 0.319 456 A C -0.521 176.492 177.584 -0.952 0.000 1.121 456 A CA -0.877 50.528 52.037 -1.053 0.000 0.836 456 A CB 1.101 19.005 19.000 -1.826 0.000 1.146 456 A HN 1.533 nan 8.150 nan 0.000 0.494 457 V N 2.399 121.938 119.914 -0.626 0.000 2.653 457 V HA 0.543 4.659 4.120 -0.006 0.000 0.298 457 V C -1.547 174.459 176.094 -0.147 0.000 1.097 457 V CA -0.293 61.825 62.300 -0.304 0.000 0.908 457 V CB 1.633 33.427 31.823 -0.048 0.000 1.024 457 V HN 0.816 nan 8.190 nan 0.000 0.435 458 V N 6.994 126.897 119.914 -0.019 0.000 2.540 458 V HA 0.602 4.718 4.120 -0.006 0.000 0.302 458 V C -0.335 175.841 176.094 0.136 0.000 1.035 458 V CA -0.602 61.752 62.300 0.091 0.000 0.873 458 V CB 2.146 34.082 31.823 0.189 0.000 0.992 458 V HN 0.691 nan 8.190 nan 0.000 0.428 459 V N 5.409 125.358 119.914 0.059 0.000 2.398 459 V HA 0.538 4.655 4.120 -0.006 0.000 0.286 459 V C -0.271 175.865 176.094 0.069 0.000 1.026 459 V CA -0.576 61.713 62.300 -0.018 0.000 0.868 459 V CB 1.736 33.353 31.823 -0.344 0.000 0.982 459 V HN 0.589 nan 8.190 nan 0.000 0.443 460 V N 6.195 126.176 119.914 0.112 0.000 2.444 460 V HA 0.505 4.621 4.120 -0.006 0.000 0.294 460 V C -0.499 175.624 176.094 0.048 0.000 1.022 460 V CA -0.556 61.803 62.300 0.098 0.000 0.850 460 V CB 1.703 33.602 31.823 0.126 0.000 0.992 460 V HN 0.711 nan 8.190 nan 0.000 0.426 461 L N 4.692 125.964 121.223 0.081 0.000 2.322 461 L HA 0.697 5.033 4.340 -0.006 0.000 0.281 461 L C -0.447 176.484 176.870 0.100 0.000 1.014 461 L CA 0.084 54.989 54.840 0.110 0.000 0.815 461 L CB 1.720 43.899 42.059 0.200 0.000 1.247 461 L HN 0.610 nan 8.230 nan 0.000 0.421 462 N N 3.879 122.640 118.700 0.102 0.000 2.569 462 N HA 0.341 5.077 4.740 -0.006 0.000 0.254 462 N C -0.017 175.576 175.510 0.140 0.000 1.004 462 N CA -0.306 52.788 53.050 0.074 0.000 0.904 462 N CB 0.987 39.477 38.487 0.005 0.000 1.165 462 N HN 0.730 nan 8.380 nan 0.000 0.513 463 R N 0.481 121.058 120.500 0.128 0.000 2.310 463 R HA 0.082 4.418 4.340 -0.006 0.000 0.202 463 R C 0.607 176.963 176.300 0.092 0.000 0.933 463 R CA -0.026 56.188 56.100 0.189 0.000 1.054 463 R CB 0.135 30.508 30.300 0.122 0.000 0.985 463 R HN 0.538 nan 8.270 nan 0.000 0.489 464 S N -0.607 115.042 115.700 -0.085 0.000 2.672 464 S HA 0.118 4.585 4.470 -0.006 0.000 0.276 464 S C 1.243 175.433 174.600 -0.683 0.000 1.207 464 S CA -0.498 57.560 58.200 -0.237 0.000 1.002 464 S CB 1.861 64.988 63.200 -0.122 0.000 0.998 464 S HN 0.134 nan 8.310 nan 0.000 0.542 465 S N 0.329 115.659 115.700 -0.617 0.000 2.489 465 S HA 0.144 4.611 4.470 -0.006 0.000 0.228 465 S C 0.366 174.777 174.600 -0.314 0.000 0.995 465 S CA 0.054 57.852 58.200 -0.670 0.000 0.934 465 S CB -0.509 62.572 63.200 -0.197 0.000 0.771 465 S HN 0.710 nan 8.310 nan 0.000 0.522 466 K N 1.536 121.812 120.400 -0.207 0.000 2.123 466 K HA 0.416 4.732 4.320 -0.006 0.000 0.259 466 K C -1.379 175.168 176.600 -0.089 0.000 0.960 466 K CA -0.703 55.519 56.287 -0.108 0.000 0.872 466 K CB 0.773 33.235 32.500 -0.063 0.000 1.079 466 K HN 0.145 nan 8.250 nan 0.000 0.440 467 D N 0.839 121.209 120.400 -0.049 0.000 2.345 467 D HA 0.143 4.779 4.640 -0.006 0.000 0.247 467 D C -0.862 175.428 176.300 -0.017 0.000 1.108 467 D CA -0.081 53.904 54.000 -0.025 0.000 0.894 467 D CB 0.976 41.776 40.800 0.001 0.000 1.203 467 D HN -0.041 nan 8.370 nan 0.000 0.430 468 V N 4.324 124.232 119.914 -0.011 0.000 2.349 468 V HA 0.318 4.435 4.120 -0.006 0.000 0.284 468 V C -2.112 173.988 176.094 0.008 0.000 1.014 468 V CA -1.621 60.676 62.300 -0.004 0.000 0.826 468 V CB 1.333 33.150 31.823 -0.010 0.000 1.009 468 V HN 0.511 nan 8.190 nan 0.000 0.431 469 P HA 0.398 nan 4.420 nan 0.000 0.271 469 P C -0.876 176.435 177.300 0.018 0.000 1.218 469 P CA -0.059 63.055 63.100 0.024 0.000 0.780 469 P CB 1.441 33.156 31.700 0.025 0.000 0.901 470 L N -1.086 120.143 121.223 0.011 0.000 2.710 470 L HA 0.692 5.028 4.340 -0.006 0.000 0.260 470 L C -1.288 175.559 176.870 -0.039 0.000 0.993 470 L CA -0.625 54.211 54.840 -0.007 0.000 0.877 470 L CB 1.893 43.933 42.059 -0.032 0.000 1.461 470 L HN 0.116 nan 8.230 nan 0.000 0.413 471 T N 2.356 116.889 114.554 -0.034 0.000 2.856 471 T HA 0.702 5.048 4.350 -0.006 0.000 0.283 471 T C -0.355 174.240 174.700 -0.175 0.000 1.008 471 T CA -0.306 61.745 62.100 -0.082 0.000 0.997 471 T CB 1.593 70.470 68.868 0.015 0.000 0.992 471 T HN 0.498 nan 8.240 nan 0.000 0.454 472 I N 2.523 122.914 120.570 -0.298 0.000 2.441 472 I HA 0.479 4.645 4.170 -0.006 0.000 0.295 472 I C 0.012 175.870 176.117 -0.432 0.000 0.994 472 I CA -0.886 60.213 61.300 -0.336 0.000 1.144 472 I CB 1.816 39.552 38.000 -0.439 0.000 1.314 472 I HN 0.380 nan 8.210 nan 0.000 0.445 473 K N 4.964 125.108 120.400 -0.428 0.000 2.292 473 K HA 0.320 4.636 4.320 -0.006 0.000 0.257 473 K C -1.410 174.939 176.600 -0.418 0.000 0.940 473 K CA -0.539 55.342 56.287 -0.676 0.000 0.811 473 K CB 1.609 33.591 32.500 -0.863 0.000 1.120 473 K HN 0.487 nan 8.250 nan 0.000 0.428 474 D N 6.244 126.393 120.400 -0.418 0.000 2.440 474 D HA 0.208 4.845 4.640 -0.006 0.000 0.239 474 D C -1.622 174.567 176.300 -0.185 0.000 1.084 474 D CA -2.425 51.491 54.000 -0.140 0.000 0.843 474 D CB 1.874 42.697 40.800 0.039 0.000 1.097 474 D HN 0.362 nan 8.370 nan 0.000 0.531 475 P HA -0.113 nan 4.420 nan 0.000 0.226 475 P C 0.753 178.028 177.300 -0.041 0.000 1.146 475 P CA 0.595 63.633 63.100 -0.103 0.000 0.773 475 P CB 0.351 32.014 31.700 -0.061 0.000 0.772 476 A N -0.505 122.312 122.820 -0.006 0.000 2.195 476 A HA 0.188 4.504 4.320 -0.006 0.000 0.210 476 A C 1.891 179.490 177.584 0.026 0.000 1.165 476 A CA 0.977 53.028 52.037 0.023 0.000 0.806 476 A CB -0.368 18.661 19.000 0.049 0.000 0.847 476 A HN 0.218 nan 8.150 nan 0.000 0.482 477 V N -6.001 113.911 119.914 -0.004 0.000 3.294 477 V HA 0.644 4.761 4.120 -0.006 0.000 0.255 477 V C 0.806 176.871 176.094 -0.048 0.000 1.528 477 V CA 0.802 63.094 62.300 -0.013 0.000 1.086 477 V CB -0.198 31.625 31.823 -0.000 0.000 0.906 477 V HN 1.405 nan 8.190 nan 0.000 0.433 478 G N 0.559 109.285 108.800 -0.123 0.000 2.260 478 G HA2 0.237 4.193 3.960 -0.006 0.000 0.250 478 G HA3 0.237 4.193 3.960 -0.006 0.000 0.250 478 G C -1.592 173.164 174.900 -0.239 0.000 1.340 478 G CA -0.272 44.808 45.100 -0.032 0.000 1.056 478 G HN 0.343 nan 8.290 nan 0.000 0.471 479 F N -0.349 119.473 119.950 -0.214 0.000 2.508 479 F HA 0.796 5.319 4.527 -0.006 0.000 0.325 479 F C 0.048 175.679 175.800 -0.281 0.000 1.090 479 F CA -0.962 56.868 58.000 -0.283 0.000 0.945 479 F CB 2.043 40.872 39.000 -0.284 0.000 1.156 479 F HN 0.307 nan 8.300 nan 0.000 0.463 480 L N 3.506 124.585 121.223 -0.241 0.000 2.295 480 L HA 0.362 4.698 4.340 -0.006 0.000 0.281 480 L C -0.307 176.420 176.870 -0.238 0.000 1.018 480 L CA -0.402 54.225 54.840 -0.355 0.000 0.841 480 L CB 0.604 42.196 42.059 -0.779 0.000 1.218 480 L HN 0.405 nan 8.230 nan 0.000 0.424 481 E N 2.331 122.494 120.200 -0.062 0.000 2.259 481 E HA 0.432 4.778 4.350 -0.006 0.000 0.281 481 E C 0.034 176.628 176.600 -0.009 0.000 1.037 481 E CA 0.024 56.422 56.400 -0.003 0.000 0.854 481 E CB 1.605 31.342 29.700 0.062 0.000 1.051 481 E HN 0.512 nan 8.360 nan 0.000 0.409 482 T N 1.906 116.447 114.554 -0.021 0.000 2.665 482 T HA 0.662 5.008 4.350 -0.006 0.000 0.303 482 T C -1.436 173.309 174.700 0.076 0.000 1.334 482 T CA -0.547 61.581 62.100 0.048 0.000 1.011 482 T CB 0.861 69.732 68.868 0.006 0.000 1.573 482 T HN 0.344 nan 8.240 nan 0.000 0.492 483 I N 1.519 122.183 120.570 0.158 0.000 2.656 483 I HA 0.450 4.616 4.170 -0.006 0.000 0.292 483 I C -0.629 175.594 176.117 0.178 0.000 1.144 483 I CA -0.892 60.488 61.300 0.133 0.000 1.038 483 I CB 2.380 40.450 38.000 0.117 0.000 1.244 483 I HN 0.529 nan 8.210 nan 0.000 0.420 484 S N 6.915 122.647 115.700 0.053 0.000 2.434 484 S HA 0.494 4.961 4.470 -0.006 0.000 0.318 484 S C -2.492 172.085 174.600 -0.038 0.000 1.062 484 S CA -1.536 56.620 58.200 -0.073 0.000 1.116 484 S CB 0.458 63.608 63.200 -0.084 0.000 0.977 484 S HN 0.194 nan 8.310 nan 0.000 0.480 485 P HA 0.181 nan 4.420 nan 0.000 0.269 485 P C 0.390 177.681 177.300 -0.016 0.000 1.215 485 P CA -0.095 63.020 63.100 0.025 0.000 0.780 485 P CB 0.338 32.094 31.700 0.092 0.000 0.898 486 G N 1.343 110.114 108.800 -0.050 0.000 2.559 486 G HA2 0.004 3.961 3.960 -0.006 0.000 0.235 486 G HA3 0.004 3.961 3.960 -0.006 0.000 0.235 486 G C -0.647 174.225 174.900 -0.046 0.000 1.266 486 G CA -0.280 44.724 45.100 -0.160 0.000 0.847 486 G HN 0.589 nan 8.290 nan 0.000 0.583 487 Y N -0.342 120.031 120.300 0.122 0.000 2.981 487 Y HA -0.251 4.296 4.550 -0.006 0.000 0.204 487 Y C 1.347 177.421 175.900 0.290 0.000 1.265 487 Y CA 0.493 58.742 58.100 0.248 0.000 0.941 487 Y CB -1.738 36.754 38.460 0.052 0.000 1.254 487 Y HN 0.888 nan 8.280 nan 0.000 0.469 488 S N -0.111 115.833 115.700 0.406 0.000 2.732 488 S HA 0.911 5.377 4.470 -0.006 0.000 0.293 488 S C -0.825 173.939 174.600 0.273 0.000 1.159 488 S CA -0.731 57.682 58.200 0.356 0.000 0.847 488 S CB 3.309 66.587 63.200 0.130 0.000 1.169 488 S HN 0.515 nan 8.310 nan 0.000 0.501 489 I N 0.610 121.258 120.570 0.131 0.000 2.685 489 I HA 0.485 4.651 4.170 -0.006 0.000 0.289 489 I C -1.694 174.368 176.117 -0.093 0.000 1.292 489 I CA -0.303 60.931 61.300 -0.111 0.000 1.050 489 I CB 1.540 39.324 38.000 -0.361 0.000 1.301 489 I HN 0.963 nan 8.210 nan 0.000 0.425 490 H N 4.064 123.078 119.070 -0.094 0.000 2.771 490 H HA 0.647 5.199 4.556 -0.006 0.000 0.367 490 H C -1.000 174.339 175.328 0.017 0.000 1.172 490 H CA -1.113 54.924 56.048 -0.019 0.000 1.186 490 H CB 2.420 32.167 29.762 -0.026 0.000 1.790 490 H HN 0.376 nan 8.280 nan 0.000 0.556 491 T N 1.885 116.505 114.554 0.110 0.000 2.879 491 T HA 0.264 4.610 4.350 -0.006 0.000 0.290 491 T C -1.343 173.251 174.700 -0.177 0.000 0.993 491 T CA -0.695 61.405 62.100 0.000 0.000 0.975 491 T CB 0.467 69.266 68.868 -0.114 0.000 0.981 491 T HN 0.287 nan 8.240 nan 0.000 0.439 492 Y N 2.284 122.620 120.300 0.061 0.000 2.446 492 Y HA 0.765 5.311 4.550 -0.006 0.000 0.338 492 Y C -0.364 175.604 175.900 0.114 0.000 1.055 492 Y CA -1.217 56.981 58.100 0.164 0.000 1.101 492 Y CB 1.300 39.914 38.460 0.257 0.000 1.221 492 Y HN 0.396 nan 8.280 nan 0.000 0.460 493 L N 2.486 123.922 121.223 0.355 0.000 2.445 493 L HA 0.604 4.941 4.340 -0.006 0.000 0.262 493 L C -1.513 175.635 176.870 0.463 0.000 0.974 493 L CA -0.669 54.273 54.840 0.170 0.000 0.822 493 L CB 1.882 43.998 42.059 0.094 0.000 1.339 493 L HN 0.766 nan 8.230 nan 0.000 0.409 494 W N 0.142 121.501 121.300 0.098 0.000 3.464 494 W HA 0.600 5.256 4.660 -0.006 0.000 0.292 494 W C -1.278 175.242 176.519 0.002 0.000 1.262 494 W CA -0.719 56.705 57.345 0.130 0.000 1.202 494 W CB 0.141 29.695 29.460 0.157 0.000 1.334 494 W HN 0.416 nan 8.180 nan 0.000 0.561 495 H N 1.516 120.636 119.070 0.082 0.000 2.679 495 H HA 0.461 5.013 4.556 -0.006 0.000 0.369 495 H C 0.942 176.345 175.328 0.126 0.000 1.178 495 H CA 0.089 56.091 56.048 -0.077 0.000 1.419 495 H CB 1.174 30.864 29.762 -0.120 0.000 1.458 495 H HN 0.533 nan 8.280 nan 0.000 0.605 496 R N 0.250 120.829 120.500 0.132 0.000 2.509 496 R HA 0.209 4.545 4.340 -0.006 0.000 0.297 496 R C -0.094 176.264 176.300 0.096 0.000 0.951 496 R CA 0.028 56.217 56.100 0.148 0.000 1.103 496 R CB 0.890 31.233 30.300 0.072 0.000 1.283 496 R HN 0.602 nan 8.270 nan 0.000 0.534 497 Q N 0.000 119.853 119.800 0.089 0.000 2.315 497 Q HA 0.000 4.336 4.340 -0.006 0.000 0.214 497 Q CA 0.000 55.842 55.803 0.065 0.000 1.022 497 Q CB 0.000 28.760 28.738 0.037 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481