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 3gxd_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITN LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWHRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.539 177.584 -0.074 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 19.005 19.000 0.008 0.000 0.831 2 R N 1.435 121.866 120.500 -0.114 0.000 2.638 2 R HA 0.255 4.610 4.340 0.026 0.000 0.268 2 R C -2.154 174.104 176.300 -0.070 0.000 1.006 2 R CA -0.244 55.794 56.100 -0.103 0.000 1.088 2 R CB 0.331 30.436 30.300 -0.324 0.000 0.950 2 R HN 0.374 nan 8.270 nan 0.000 0.419 3 P HA 0.024 nan 4.420 nan 0.000 0.278 3 P C -0.201 177.162 177.300 0.106 0.000 1.266 3 P CA -0.668 62.447 63.100 0.027 0.000 0.807 3 P CB 0.645 32.361 31.700 0.028 0.000 1.094 4 c N 1.497 120.120 118.600 0.039 0.000 2.679 4 c HA 0.249 4.834 4.570 0.026 0.000 0.417 4 c C 0.510 174.643 174.090 0.073 0.000 1.302 4 c CA -0.017 56.347 56.329 0.059 0.000 1.973 4 c CB -1.970 40.525 42.510 -0.026 0.000 2.715 4 c HN 0.366 nan 8.230 nan 0.000 0.628 5 I N 7.640 128.257 120.570 0.080 0.000 2.382 5 I HA 0.358 4.543 4.170 0.026 0.000 0.285 5 I C -1.893 174.224 176.117 0.001 0.000 1.007 5 I CA -1.652 59.641 61.300 -0.011 0.000 1.142 5 I CB 1.743 39.673 38.000 -0.118 0.000 1.289 5 I HN 0.608 nan 8.210 nan 0.000 0.453 6 P HA 0.242 nan 4.420 nan 0.000 0.285 6 P C -1.219 176.048 177.300 -0.055 0.000 1.259 6 P CA -0.614 62.475 63.100 -0.019 0.000 0.794 6 P CB 1.312 32.992 31.700 -0.034 0.000 0.940 7 K N 1.442 121.806 120.400 -0.060 0.000 2.468 7 K HA 0.416 4.751 4.320 0.026 0.000 0.252 7 K C -0.829 175.655 176.600 -0.194 0.000 0.932 7 K CA -0.609 55.567 56.287 -0.185 0.000 0.794 7 K CB 1.807 34.139 32.500 -0.282 0.000 1.241 7 K HN 0.398 nan 8.250 nan 0.000 0.428 8 S N 3.253 118.796 115.700 -0.261 0.000 2.508 8 S HA 0.401 4.886 4.470 0.026 0.000 0.284 8 S C -0.278 174.098 174.600 -0.373 0.000 1.192 8 S CA -0.475 57.608 58.200 -0.195 0.000 1.070 8 S CB 0.295 63.406 63.200 -0.149 0.000 1.004 8 S HN 0.564 nan 8.310 nan 0.000 0.493 9 F N 2.866 122.680 119.950 -0.226 0.000 2.668 9 F HA 0.391 4.933 4.527 0.025 0.000 0.301 9 F C 1.712 177.175 175.800 -0.563 0.000 1.106 9 F CA 0.210 58.016 58.000 -0.323 0.000 1.289 9 F CB 0.650 39.487 39.000 -0.271 0.000 1.006 9 F HN 0.963 nan 8.300 nan 0.000 0.535 10 G N -0.631 107.969 108.800 -0.332 0.000 2.157 10 G HA2 -0.297 3.679 3.960 0.026 0.000 0.239 10 G HA3 -0.297 3.679 3.960 0.026 0.000 0.239 10 G C -0.025 174.647 174.900 -0.379 0.000 0.982 10 G CA -0.232 44.636 45.100 -0.387 0.000 0.650 10 G HN 0.408 nan 8.290 nan 0.000 0.527 11 Y N 0.138 120.478 120.300 0.067 0.000 2.679 11 Y HA 0.491 5.056 4.550 0.025 0.000 0.331 11 Y C 2.155 178.086 175.900 0.050 0.000 1.183 11 Y CA -0.325 57.810 58.100 0.058 0.000 1.290 11 Y CB 0.622 39.122 38.460 0.067 0.000 1.489 11 Y HN 0.202 nan 8.280 nan 0.000 0.583 12 S N -1.005 114.847 115.700 0.253 0.000 2.440 12 S HA -0.082 4.403 4.470 0.026 0.000 0.238 12 S C 0.628 175.288 174.600 0.100 0.000 1.010 12 S CA 1.146 59.420 58.200 0.125 0.000 0.972 12 S CB -0.222 63.038 63.200 0.100 0.000 0.774 12 S HN 0.465 nan 8.310 nan 0.000 0.501 13 S N -0.819 114.985 115.700 0.173 0.000 2.776 13 S HA 0.677 5.162 4.470 0.026 0.000 0.292 13 S C -0.761 173.931 174.600 0.153 0.000 1.187 13 S CA -0.326 57.962 58.200 0.147 0.000 0.834 13 S CB 1.287 64.651 63.200 0.274 0.000 1.199 13 S HN 0.704 nan 8.310 nan 0.000 0.514 14 V N 0.675 120.668 119.914 0.131 0.000 2.966 14 V HA 0.950 5.085 4.120 0.026 0.000 0.317 14 V C 0.220 176.422 176.094 0.179 0.000 1.070 14 V CA -0.481 61.885 62.300 0.109 0.000 1.008 14 V CB 0.943 32.790 31.823 0.039 0.000 1.070 14 V HN 0.879 nan 8.190 nan 0.000 0.457 15 V N -1.243 118.779 119.914 0.180 0.000 3.093 15 V HA 0.702 4.837 4.120 0.026 0.000 0.320 15 V C -0.026 176.188 176.094 0.199 0.000 1.093 15 V CA -0.647 61.790 62.300 0.228 0.000 1.016 15 V CB 1.380 33.342 31.823 0.232 0.000 1.096 15 V HN 1.080 nan 8.190 nan 0.000 0.452 16 c N 1.808 120.556 118.600 0.246 0.000 2.273 16 c HA 0.661 5.246 4.570 0.026 0.000 0.328 16 c C 0.264 174.451 174.090 0.162 0.000 1.275 16 c CA -0.629 55.808 56.329 0.181 0.000 1.704 16 c CB 0.184 42.818 42.510 0.208 0.000 2.326 16 c HN 0.727 nan 8.230 nan 0.000 0.517 17 V N 3.563 123.554 119.914 0.128 0.000 2.432 17 V HA 0.276 4.411 4.120 0.026 0.000 0.271 17 V C 0.395 176.418 176.094 -0.118 0.000 1.046 17 V CA -0.085 62.269 62.300 0.089 0.000 0.945 17 V CB 0.077 31.968 31.823 0.115 0.000 0.992 17 V HN 1.066 nan 8.190 nan 0.000 0.471 18 c N 5.271 123.592 118.600 -0.464 0.000 2.505 18 c HA 0.872 5.458 4.570 0.026 0.000 0.358 18 c C 0.343 174.063 174.090 -0.617 0.000 1.226 18 c CA -0.556 55.384 56.329 -0.647 0.000 1.900 18 c CB 1.488 43.252 42.510 -1.243 0.000 2.306 18 c HN 1.090 nan 8.230 nan 0.000 0.512 19 N N -0.633 117.851 118.700 -0.360 0.000 3.449 19 N HA 0.438 5.194 4.740 0.026 0.000 0.312 19 N C 0.119 175.599 175.510 -0.051 0.000 1.582 19 N CA -0.077 52.866 53.050 -0.179 0.000 0.850 19 N CB 0.216 38.645 38.487 -0.097 0.000 1.822 19 N HN 0.516 nan 8.380 nan 0.000 0.577 20 A N -0.935 121.886 122.820 0.002 0.000 1.972 20 A HA -0.026 4.310 4.320 0.026 0.000 0.219 20 A C 1.569 179.177 177.584 0.039 0.000 1.169 20 A CA 2.699 54.759 52.037 0.037 0.000 0.635 20 A CB -1.275 17.744 19.000 0.031 0.000 0.810 20 A HN 0.940 nan 8.150 nan 0.000 0.446 21 T N -6.165 108.414 114.554 0.042 0.000 3.040 21 T HA 0.343 4.708 4.350 0.026 0.000 0.266 21 T C -0.099 174.666 174.700 0.110 0.000 1.005 21 T CA -0.078 62.058 62.100 0.060 0.000 0.906 21 T CB -0.144 68.760 68.868 0.060 0.000 1.082 21 T HN 0.327 nan 8.240 nan 0.000 0.531 22 Y N 0.384 120.646 120.300 -0.064 0.000 2.361 22 Y HA 0.584 5.148 4.550 0.025 0.000 0.328 22 Y C -1.509 174.319 175.900 -0.120 0.000 1.044 22 Y CA -1.455 56.601 58.100 -0.073 0.000 1.085 22 Y CB 1.544 39.962 38.460 -0.070 0.000 1.194 22 Y HN 0.261 nan 8.280 nan 0.000 0.438 23 c N 7.454 125.805 118.600 -0.415 0.000 2.547 23 c HA 0.400 4.985 4.570 0.026 0.000 0.313 23 c C -0.970 172.872 174.090 -0.413 0.000 1.191 23 c CA -0.792 55.359 56.329 -0.297 0.000 1.474 23 c CB 0.470 42.902 42.510 -0.129 0.000 2.081 23 c HN 0.924 nan 8.230 nan 0.000 0.476 24 D N 3.441 123.720 120.400 -0.202 0.000 2.414 24 D HA 0.386 5.042 4.640 0.026 0.000 0.242 24 D C -0.083 176.146 176.300 -0.118 0.000 1.129 24 D CA 0.363 54.275 54.000 -0.146 0.000 0.885 24 D CB 1.149 41.953 40.800 0.006 0.000 1.198 24 D HN 0.756 nan 8.370 nan 0.000 0.437 25 S N 0.013 115.615 115.700 -0.164 0.000 2.672 25 S HA 0.670 5.155 4.470 0.026 0.000 0.271 25 S C -1.220 173.249 174.600 -0.219 0.000 1.171 25 S CA -1.054 57.093 58.200 -0.089 0.000 0.817 25 S CB 0.866 64.048 63.200 -0.030 0.000 1.150 25 S HN 0.369 nan 8.310 nan 0.000 0.478 26 F N 1.203 121.187 119.950 0.057 0.000 2.522 26 F HA 0.473 5.014 4.527 0.024 0.000 0.324 26 F C 0.600 176.440 175.800 0.066 0.000 1.077 26 F CA -0.656 57.395 58.000 0.084 0.000 0.944 26 F CB 1.154 40.212 39.000 0.096 0.000 1.175 26 F HN 0.529 nan 8.300 nan 0.000 0.468 27 D N 3.284 123.843 120.400 0.265 0.000 2.419 27 D HA 0.058 4.714 4.640 0.026 0.000 0.236 27 D C -2.195 174.224 176.300 0.198 0.000 1.165 27 D CA -0.475 53.634 54.000 0.181 0.000 0.882 27 D CB 0.409 41.294 40.800 0.143 0.000 1.201 27 D HN 0.101 nan 8.370 nan 0.000 0.443 28 P HA 0.038 nan 4.420 nan 0.000 0.264 28 P C -2.295 175.080 177.300 0.126 0.000 1.183 28 P CA -0.750 62.419 63.100 0.114 0.000 0.763 28 P CB -0.525 31.225 31.700 0.083 0.000 0.807 29 P HA 0.062 nan 4.420 nan 0.000 0.267 29 P C -0.515 176.872 177.300 0.145 0.000 1.200 29 P CA 0.463 63.655 63.100 0.153 0.000 0.772 29 P CB 0.325 32.107 31.700 0.135 0.000 0.855 30 T N -0.864 113.780 114.554 0.149 0.000 2.923 30 T HA 0.585 4.950 4.350 0.026 0.000 0.311 30 T C -0.151 174.610 174.700 0.102 0.000 1.183 30 T CA -0.824 61.309 62.100 0.055 0.000 1.020 30 T CB 0.757 69.558 68.868 -0.111 0.000 1.165 30 T HN 0.309 nan 8.240 nan 0.000 0.482 31 F N 0.741 120.757 119.950 0.110 0.000 2.399 31 F HA 0.693 5.235 4.527 0.025 0.000 0.342 31 F C -2.197 173.629 175.800 0.044 0.000 1.106 31 F CA -2.483 55.591 58.000 0.123 0.000 1.196 31 F CB -0.479 38.647 39.000 0.210 0.000 1.163 31 F HN 0.310 nan 8.300 nan 0.000 0.547 32 P HA 0.231 nan 4.420 nan 0.000 0.274 32 P C -0.688 176.695 177.300 0.138 0.000 1.231 32 P CA -0.360 62.804 63.100 0.107 0.000 0.790 32 P CB 0.890 32.684 31.700 0.156 0.000 0.951 33 A N 2.762 125.599 122.820 0.030 0.000 2.483 33 A HA 0.165 4.500 4.320 0.026 0.000 0.238 33 A C 0.237 177.876 177.584 0.091 0.000 1.070 33 A CA -0.376 51.692 52.037 0.052 0.000 0.770 33 A CB -0.344 18.656 19.000 0.000 0.000 1.008 33 A HN 0.613 nan 8.150 nan 0.000 0.497 34 L N 2.153 123.433 121.223 0.095 0.000 2.540 34 L HA 0.421 4.776 4.340 0.026 0.000 0.276 34 L C 1.330 178.258 176.870 0.096 0.000 1.212 34 L CA 2.039 56.955 54.840 0.127 0.000 0.893 34 L CB -0.012 42.113 42.059 0.110 0.000 1.138 34 L HN 1.559 nan 8.230 nan 0.000 0.491 35 G N 2.302 111.168 108.800 0.109 0.000 2.259 35 G HA2 -0.213 3.763 3.960 0.026 0.000 0.217 35 G HA3 -0.213 3.763 3.960 0.026 0.000 0.217 35 G C 0.317 175.254 174.900 0.062 0.000 1.001 35 G CA 0.257 45.399 45.100 0.069 0.000 0.627 35 G HN 1.086 nan 8.290 nan 0.000 0.501 36 T N -0.328 114.273 114.554 0.078 0.000 2.885 36 T HA 0.755 5.121 4.350 0.026 0.000 0.285 36 T C -0.159 174.645 174.700 0.173 0.000 1.019 36 T CA -0.328 61.787 62.100 0.026 0.000 1.010 36 T CB 2.135 70.967 68.868 -0.060 0.000 1.022 36 T HN 1.375 nan 8.240 nan 0.000 0.466 37 F N 0.133 120.146 119.950 0.105 0.000 2.483 37 F HA 0.860 5.395 4.527 0.012 0.000 0.329 37 F C -0.306 175.575 175.800 0.135 0.000 1.064 37 F CA -1.140 56.981 58.000 0.202 0.000 0.986 37 F CB 1.190 40.308 39.000 0.197 0.000 1.218 37 F HN 0.559 nan 8.300 nan 0.000 0.484 38 S N 1.576 117.493 115.700 0.362 0.000 2.549 38 S HA 0.637 5.123 4.470 0.026 0.000 0.297 38 S C -0.908 173.820 174.600 0.213 0.000 1.115 38 S CA -0.926 57.340 58.200 0.111 0.000 1.059 38 S CB 1.509 64.740 63.200 0.051 0.000 1.046 38 S HN 0.816 nan 8.310 nan 0.000 0.506 39 R N 1.796 122.271 120.500 -0.042 0.000 2.538 39 R HA 0.410 4.765 4.340 0.026 0.000 0.292 39 R C -2.065 174.016 176.300 -0.365 0.000 1.008 39 R CA -0.481 55.508 56.100 -0.186 0.000 0.896 39 R CB 0.774 30.980 30.300 -0.156 0.000 1.187 39 R HN 0.631 nan 8.270 nan 0.000 0.440 40 Y N 1.771 121.960 120.300 -0.184 0.000 2.330 40 Y HA 0.336 4.903 4.550 0.029 0.000 0.336 40 Y C 0.166 176.153 175.900 0.147 0.000 1.036 40 Y CA -0.379 57.737 58.100 0.026 0.000 1.125 40 Y CB 1.834 40.362 38.460 0.113 0.000 1.194 40 Y HN 0.604 nan 8.280 nan 0.000 0.469 41 E N 1.290 121.692 120.200 0.336 0.000 2.288 41 E HA 0.725 5.090 4.350 0.026 0.000 0.268 41 E C -1.545 175.293 176.600 0.397 0.000 0.885 41 E CA -0.683 55.948 56.400 0.385 0.000 0.767 41 E CB 1.394 31.229 29.700 0.225 0.000 1.220 41 E HN 0.587 nan 8.360 nan 0.000 0.427 42 S N 1.633 117.575 115.700 0.403 0.000 2.575 42 S HA 0.503 4.988 4.470 0.026 0.000 0.278 42 S C -1.029 173.748 174.600 0.294 0.000 1.139 42 S CA -0.834 57.592 58.200 0.377 0.000 0.954 42 S CB 1.717 65.269 63.200 0.585 0.000 1.054 42 S HN 0.636 nan 8.310 nan 0.000 0.483 43 T N -0.662 113.907 114.554 0.024 0.000 2.907 43 T HA 0.529 4.895 4.350 0.026 0.000 0.292 43 T C 0.964 175.049 174.700 -1.025 0.000 1.043 43 T CA -0.963 60.910 62.100 -0.378 0.000 1.003 43 T CB 1.732 70.476 68.868 -0.206 0.000 1.084 43 T HN 0.419 nan 8.240 nan 0.000 0.483 44 R N 0.931 120.385 120.500 -1.743 0.000 2.136 44 R HA -0.193 4.163 4.340 0.026 0.000 0.242 44 R C 2.502 178.469 176.300 -0.556 0.000 1.131 44 R CA 2.686 57.949 56.100 -1.396 0.000 0.937 44 R CB -1.033 28.618 30.300 -1.082 0.000 0.863 44 R HN 0.906 nan 8.270 nan 0.000 0.435 45 S N -1.767 113.716 115.700 -0.363 0.000 2.440 45 S HA -0.085 4.400 4.470 0.026 0.000 0.240 45 S C 1.415 175.929 174.600 -0.144 0.000 1.014 45 S CA 1.323 59.410 58.200 -0.189 0.000 0.980 45 S CB 0.102 63.228 63.200 -0.123 0.000 0.775 45 S HN 0.670 nan 8.310 nan 0.000 0.499 46 G N -0.062 108.642 108.800 -0.159 0.000 2.870 46 G HA2 -0.044 3.932 3.960 0.026 0.000 0.216 46 G HA3 -0.044 3.932 3.960 0.026 0.000 0.216 46 G C -0.045 174.813 174.900 -0.070 0.000 0.973 46 G CA -0.755 44.289 45.100 -0.092 0.000 0.807 46 G HN 0.413 nan 8.290 nan 0.000 0.573 47 R N 0.914 121.376 120.500 -0.063 0.000 2.491 47 R HA 0.606 4.962 4.340 0.026 0.000 0.283 47 R C -0.033 176.262 176.300 -0.008 0.000 1.072 47 R CA 0.082 56.169 56.100 -0.022 0.000 1.048 47 R CB 0.444 30.751 30.300 0.010 0.000 0.983 47 R HN 0.003 nan 8.270 nan 0.000 0.450 48 R N 4.297 124.771 120.500 -0.043 0.000 2.468 48 R HA 0.185 4.540 4.340 0.026 0.000 0.302 48 R C -0.163 176.137 176.300 0.002 0.000 1.041 48 R CA -0.515 55.507 56.100 -0.129 0.000 0.899 48 R CB 1.458 31.500 30.300 -0.431 0.000 1.167 48 R HN 0.816 nan 8.270 nan 0.000 0.483 49 M N 1.151 120.857 119.600 0.176 0.000 2.173 49 M HA -0.243 4.252 4.480 0.026 0.000 0.197 49 M C -0.404 176.113 176.300 0.361 0.000 0.296 49 M CA 1.340 56.866 55.300 0.377 0.000 0.385 49 M CB -1.247 31.687 32.600 0.556 0.000 1.141 49 M HN 0.439 nan 8.290 nan 0.000 0.938 50 E N 1.380 121.689 120.200 0.182 0.000 2.415 50 E HA 0.152 4.518 4.350 0.026 0.000 0.260 50 E C -0.094 176.492 176.600 -0.024 0.000 1.016 50 E CA -0.287 56.154 56.400 0.068 0.000 0.924 50 E CB 0.827 30.541 29.700 0.023 0.000 0.961 50 E HN 0.240 nan 8.360 nan 0.000 0.459 51 L N 3.685 124.834 121.223 -0.122 0.000 2.315 51 L HA 0.089 4.445 4.340 0.026 0.000 0.283 51 L C -0.209 176.513 176.870 -0.247 0.000 1.089 51 L CA 0.219 54.824 54.840 -0.392 0.000 0.833 51 L CB 0.448 42.308 42.059 -0.332 0.000 1.170 51 L HN 0.493 nan 8.230 nan 0.000 0.442 52 S N 6.120 121.662 115.700 -0.264 0.000 2.599 52 S HA 0.845 5.331 4.470 0.026 0.000 0.294 52 S C -0.593 173.876 174.600 -0.218 0.000 1.094 52 S CA -0.954 57.134 58.200 -0.187 0.000 0.931 52 S CB 1.928 65.054 63.200 -0.123 0.000 1.093 52 S HN 0.736 nan 8.310 nan 0.000 0.488 53 M N 1.391 120.849 119.600 -0.238 0.000 2.572 53 M HA 0.759 5.255 4.480 0.026 0.000 0.299 53 M C -0.558 175.431 176.300 -0.519 0.000 1.205 53 M CA -0.067 55.024 55.300 -0.348 0.000 0.876 53 M CB 1.603 34.059 32.600 -0.241 0.000 1.728 53 M HN 1.171 nan 8.290 nan 0.000 0.458 54 G N 2.897 111.101 108.800 -0.993 0.000 2.721 54 G HA2 0.824 4.800 3.960 0.026 0.000 0.296 54 G HA3 0.824 4.800 3.960 0.026 0.000 0.296 54 G C -3.378 171.033 174.900 -0.814 0.000 1.383 54 G CA -0.806 43.664 45.100 -1.051 0.000 0.788 54 G HN 0.435 nan 8.290 nan 0.000 0.500 55 P HA 0.510 nan 4.420 nan 0.000 0.298 55 P C -0.543 176.866 177.300 0.181 0.000 1.314 55 P CA -0.632 62.443 63.100 -0.041 0.000 0.854 55 P CB 1.701 33.395 31.700 -0.010 0.000 1.019 56 I N 3.024 123.676 120.570 0.137 0.000 2.294 56 I HA 0.135 4.320 4.170 0.026 0.000 0.295 56 I C 1.031 177.189 176.117 0.069 0.000 1.098 56 I CA -0.379 60.977 61.300 0.094 0.000 1.277 56 I CB -0.065 37.938 38.000 0.004 0.000 1.434 56 I HN 0.146 nan 8.210 nan 0.000 0.498 57 Q N 4.892 124.742 119.800 0.084 0.000 2.340 57 Q HA 0.342 4.697 4.340 0.026 0.000 0.249 57 Q C 0.835 176.902 176.000 0.112 0.000 0.957 57 Q CA -0.367 55.477 55.803 0.069 0.000 0.882 57 Q CB 1.441 30.202 28.738 0.039 0.000 1.235 57 Q HN 0.784 nan 8.270 nan 0.000 0.439 58 A N 2.535 125.398 122.820 0.071 0.000 2.169 58 A HA 0.012 4.347 4.320 0.026 0.000 0.212 58 A C 0.181 177.776 177.584 0.019 0.000 1.153 58 A CA 0.478 52.577 52.037 0.103 0.000 0.756 58 A CB 0.046 19.084 19.000 0.063 0.000 0.813 58 A HN 0.663 nan 8.150 nan 0.000 0.471 59 N N -0.701 117.916 118.700 -0.137 0.000 2.335 59 N HA 0.509 5.265 4.740 0.026 0.000 0.304 59 N C -1.037 174.134 175.510 -0.564 0.000 1.135 59 N CA -0.358 52.495 53.050 -0.328 0.000 0.817 59 N CB 1.138 39.521 38.487 -0.172 0.000 1.294 59 N HN 0.385 nan 8.380 nan 0.000 0.497 60 H N -0.518 118.036 119.070 -0.860 0.000 3.026 60 H HA 0.342 4.911 4.556 0.023 0.000 0.352 60 H C -1.502 173.604 175.328 -0.371 0.000 1.090 60 H CA -0.636 55.028 56.048 -0.641 0.000 1.268 60 H CB 1.200 30.451 29.762 -0.852 0.000 1.816 60 H HN 0.635 nan 8.280 nan 0.000 0.518 61 T N 2.296 116.433 114.554 -0.695 0.000 2.770 61 T HA 0.428 4.793 4.350 0.026 0.000 0.283 61 T C 1.128 175.328 174.700 -0.832 0.000 0.988 61 T CA -0.288 61.461 62.100 -0.585 0.000 0.957 61 T CB 1.580 70.268 68.868 -0.300 0.000 0.930 61 T HN 0.697 nan 8.240 nan 0.000 0.443 62 G N 1.929 110.378 108.800 -0.586 0.000 2.711 62 G HA2 0.259 4.234 3.960 0.026 0.000 0.367 62 G HA3 0.259 4.234 3.960 0.026 0.000 0.367 62 G C 0.635 175.435 174.900 -0.167 0.000 1.276 62 G CA 0.375 45.300 45.100 -0.292 0.000 1.193 62 G HN 1.366 nan 8.290 nan 0.000 0.704 63 T N -2.961 111.573 114.554 -0.034 0.000 3.633 63 T HA 0.545 4.911 4.350 0.026 0.000 0.278 63 T C 0.755 175.488 174.700 0.055 0.000 0.991 63 T CA 0.413 62.522 62.100 0.016 0.000 1.036 63 T CB 0.128 68.995 68.868 -0.002 0.000 1.148 63 T HN 0.950 nan 8.240 nan 0.000 0.501 64 G N 1.307 110.165 108.800 0.096 0.000 2.611 64 G HA2 0.501 4.477 3.960 0.026 0.000 0.273 64 G HA3 0.501 4.477 3.960 0.026 0.000 0.273 64 G C -0.119 174.831 174.900 0.084 0.000 1.305 64 G CA -0.908 44.241 45.100 0.082 0.000 1.010 64 G HN 0.621 nan 8.290 nan 0.000 0.509 65 L N -0.738 120.513 121.223 0.048 0.000 2.453 65 L HA 0.487 4.842 4.340 0.026 0.000 0.272 65 L C -0.387 176.497 176.870 0.023 0.000 1.182 65 L CA -0.205 54.654 54.840 0.032 0.000 0.858 65 L CB 0.895 42.962 42.059 0.014 0.000 1.120 65 L HN 0.355 nan 8.230 nan 0.000 0.474 66 L N 6.050 127.290 121.223 0.029 0.000 2.376 66 L HA 0.556 4.911 4.340 0.026 0.000 0.275 66 L C -1.439 175.420 176.870 -0.019 0.000 0.987 66 L CA -0.224 54.622 54.840 0.009 0.000 0.828 66 L CB 1.518 43.631 42.059 0.089 0.000 1.249 66 L HN 0.516 nan 8.230 nan 0.000 0.409 67 L N 4.636 125.821 121.223 -0.062 0.000 2.296 67 L HA 0.606 4.962 4.340 0.026 0.000 0.286 67 L C -0.248 176.575 176.870 -0.078 0.000 1.023 67 L CA -0.488 54.319 54.840 -0.054 0.000 0.812 67 L CB 1.636 43.665 42.059 -0.051 0.000 1.223 67 L HN 0.568 nan 8.230 nan 0.000 0.421 68 T N 3.539 118.063 114.554 -0.050 0.000 2.771 68 T HA 0.415 4.780 4.350 0.026 0.000 0.281 68 T C -0.248 174.438 174.700 -0.023 0.000 0.982 68 T CA -0.513 61.549 62.100 -0.064 0.000 0.978 68 T CB 1.822 70.662 68.868 -0.046 0.000 0.930 68 T HN 0.230 nan 8.240 nan 0.000 0.447 69 L N 3.525 124.739 121.223 -0.016 0.000 2.416 69 L HA 0.227 4.582 4.340 0.026 0.000 0.272 69 L C 0.254 177.144 176.870 0.032 0.000 1.161 69 L CA 0.505 55.370 54.840 0.041 0.000 0.845 69 L CB 0.442 42.563 42.059 0.102 0.000 1.119 69 L HN 0.610 nan 8.230 nan 0.000 0.464 70 Q N 6.718 126.551 119.800 0.054 0.000 2.849 70 Q HA 0.251 4.607 4.340 0.026 0.000 0.289 70 Q C -1.828 174.206 176.000 0.056 0.000 1.012 70 Q CA -1.592 54.242 55.803 0.052 0.000 0.899 70 Q CB 0.810 29.588 28.738 0.068 0.000 1.235 70 Q HN 0.557 nan 8.270 nan 0.000 0.457 71 P HA -0.199 nan 4.420 nan 0.000 0.224 71 P C 0.717 178.031 177.300 0.023 0.000 1.142 71 P CA 1.181 64.305 63.100 0.039 0.000 0.778 71 P CB 0.581 32.303 31.700 0.036 0.000 0.764 72 E N 0.202 120.412 120.200 0.017 0.000 2.060 72 E HA -0.025 4.340 4.350 0.026 0.000 0.189 72 E C 1.064 177.643 176.600 -0.035 0.000 0.974 72 E CA 0.557 56.954 56.400 -0.005 0.000 0.808 72 E CB -0.722 28.976 29.700 -0.004 0.000 0.768 72 E HN 0.416 nan 8.360 nan 0.000 0.453 73 Q N 2.376 122.157 119.800 -0.032 0.000 2.364 73 Q HA -0.024 4.332 4.340 0.026 0.000 0.263 73 Q C -0.230 175.633 176.000 -0.229 0.000 1.276 73 Q CA 0.346 56.069 55.803 -0.133 0.000 0.923 73 Q CB 0.215 28.962 28.738 0.015 0.000 1.477 73 Q HN -0.060 nan 8.270 nan 0.000 0.484 74 K N 2.194 122.409 120.400 -0.308 0.000 2.219 74 K HA 0.326 4.661 4.320 0.026 0.000 0.258 74 K C -0.111 176.124 176.600 -0.609 0.000 1.008 74 K CA 0.421 56.554 56.287 -0.257 0.000 0.928 74 K CB 0.557 32.973 32.500 -0.139 0.000 0.983 74 K HN 0.281 nan 8.250 nan 0.000 0.484 75 F N -0.962 119.008 119.950 0.034 0.000 3.456 75 F HA 0.072 4.615 4.527 0.026 0.000 0.329 75 F C 0.108 175.937 175.800 0.050 0.000 1.251 75 F CA -1.000 57.024 58.000 0.040 0.000 0.964 75 F CB 0.315 39.304 39.000 -0.018 0.000 1.587 75 F HN 0.342 nan 8.300 nan 0.000 0.522 76 Q N 2.796 122.762 119.800 0.276 0.000 2.361 76 Q HA 0.151 4.506 4.340 0.026 0.000 0.276 76 Q C -0.880 175.200 176.000 0.133 0.000 1.022 76 Q CA 0.027 55.934 55.803 0.173 0.000 0.898 76 Q CB 0.775 29.593 28.738 0.134 0.000 1.246 76 Q HN 0.352 nan 8.270 nan 0.000 0.410 77 K N 1.407 121.876 120.400 0.115 0.000 2.180 77 K HA 0.331 4.666 4.320 0.026 0.000 0.251 77 K C -0.446 176.203 176.600 0.081 0.000 1.014 77 K CA -0.559 55.782 56.287 0.091 0.000 0.913 77 K CB 0.784 33.334 32.500 0.084 0.000 1.008 77 K HN 0.499 nan 8.250 nan 0.000 0.490 78 V N 2.313 122.263 119.914 0.060 0.000 2.448 78 V HA 0.076 4.211 4.120 0.026 0.000 0.295 78 V C 0.998 177.097 176.094 0.008 0.000 1.025 78 V CA -0.441 61.881 62.300 0.036 0.000 0.859 78 V CB 1.602 33.462 31.823 0.061 0.000 0.988 78 V HN 0.745 nan 8.190 nan 0.000 0.431 79 K N 4.202 124.593 120.400 -0.016 0.000 2.029 79 K HA 0.454 4.789 4.320 0.026 0.000 0.205 79 K C 0.686 177.212 176.600 -0.124 0.000 1.042 79 K CA 1.532 57.781 56.287 -0.063 0.000 0.949 79 K CB -0.014 32.481 32.500 -0.009 0.000 0.740 79 K HN 0.928 nan 8.250 nan 0.000 0.442 80 G N -2.041 106.655 108.800 -0.173 0.000 2.325 80 G HA2 0.362 4.337 3.960 0.026 0.000 0.295 80 G HA3 0.362 4.337 3.960 0.026 0.000 0.295 80 G C -1.628 172.997 174.900 -0.459 0.000 1.274 80 G CA -0.913 44.090 45.100 -0.162 0.000 0.857 80 G HN 0.037 nan 8.290 nan 0.000 0.499 81 F N -0.397 119.496 119.950 -0.095 0.000 2.588 81 F HA 0.831 5.375 4.527 0.028 0.000 0.310 81 F C 0.716 176.228 175.800 -0.480 0.000 1.082 81 F CA 0.578 58.468 58.000 -0.183 0.000 0.929 81 F CB 2.674 41.599 39.000 -0.124 0.000 1.254 81 F HN 1.152 nan 8.300 nan 0.000 0.455 82 G N 0.045 108.492 108.800 -0.588 0.000 2.341 82 G HA2 0.557 4.533 3.960 0.026 0.000 0.299 82 G HA3 0.557 4.533 3.960 0.026 0.000 0.299 82 G C -1.452 173.074 174.900 -0.623 0.000 1.274 82 G CA -0.028 44.422 45.100 -1.083 0.000 0.853 82 G HN 1.043 nan 8.290 nan 0.000 0.493 83 G N -1.672 106.987 108.800 -0.235 0.000 2.827 83 G HA2 0.815 4.790 3.960 0.026 0.000 0.296 83 G HA3 0.815 4.790 3.960 0.026 0.000 0.296 83 G C -1.013 173.972 174.900 0.141 0.000 1.362 83 G CA 0.423 45.545 45.100 0.038 0.000 0.809 83 G HN 1.776 nan 8.290 nan 0.000 0.522 84 A N -0.235 122.707 122.820 0.204 0.000 2.276 84 A HA 0.603 4.939 4.320 0.026 0.000 0.316 84 A C -0.031 177.655 177.584 0.169 0.000 1.229 84 A CA -0.596 51.595 52.037 0.257 0.000 0.851 84 A CB 1.100 20.382 19.000 0.469 0.000 1.165 84 A HN 0.643 nan 8.150 nan 0.000 0.513 85 M N 4.108 123.813 119.600 0.175 0.000 3.442 85 M HA 0.138 4.634 4.480 0.026 0.000 0.232 85 M C 0.824 177.190 176.300 0.109 0.000 1.508 85 M CA -0.008 55.369 55.300 0.129 0.000 1.647 85 M CB -1.134 31.551 32.600 0.141 0.000 1.126 85 M HN 0.743 nan 8.290 nan 0.000 0.557 86 T N -1.496 113.078 114.554 0.033 0.000 2.860 86 T HA 0.154 4.520 4.350 0.026 0.000 0.299 86 T C 0.965 175.670 174.700 0.008 0.000 1.045 86 T CA -0.690 61.394 62.100 -0.026 0.000 1.071 86 T CB 0.750 69.469 68.868 -0.249 0.000 0.985 86 T HN 0.471 nan 8.240 nan 0.000 0.537 87 D N 1.547 121.966 120.400 0.032 0.000 2.106 87 D HA -0.160 4.496 4.640 0.026 0.000 0.191 87 D C 2.392 178.720 176.300 0.047 0.000 0.997 87 D CA 1.977 56.017 54.000 0.065 0.000 0.834 87 D CB -0.839 40.018 40.800 0.095 0.000 0.956 87 D HN 0.786 nan 8.370 nan 0.000 0.448 88 A N 1.078 123.927 122.820 0.049 0.000 1.892 88 A HA -0.154 4.181 4.320 0.026 0.000 0.218 88 A C 2.360 179.942 177.584 -0.004 0.000 1.188 88 A CA 2.834 54.900 52.037 0.048 0.000 0.631 88 A CB -0.888 18.191 19.000 0.131 0.000 0.822 88 A HN 0.270 nan 8.150 nan 0.000 0.447 89 A N -0.244 122.545 122.820 -0.053 0.000 1.908 89 A HA 0.105 4.440 4.320 0.026 0.000 0.218 89 A C 2.535 180.118 177.584 -0.003 0.000 1.181 89 A CA 2.357 54.367 52.037 -0.044 0.000 0.627 89 A CB -1.106 17.860 19.000 -0.056 0.000 0.818 89 A HN 1.167 nan 8.150 nan 0.000 0.445 90 A N -0.772 122.058 122.820 0.015 0.000 1.908 90 A HA -0.072 4.263 4.320 0.026 0.000 0.218 90 A C 2.175 179.768 177.584 0.016 0.000 1.181 90 A CA 1.712 53.764 52.037 0.024 0.000 0.627 90 A CB -0.606 18.417 19.000 0.039 0.000 0.818 90 A HN 0.497 nan 8.150 nan 0.000 0.445 91 L N 0.140 121.375 121.223 0.019 0.000 2.046 91 L HA -0.177 4.178 4.340 0.026 0.000 0.208 91 L C 2.201 179.077 176.870 0.010 0.000 1.077 91 L CA 1.677 56.528 54.840 0.018 0.000 0.747 91 L CB -0.413 41.663 42.059 0.028 0.000 0.896 91 L HN 0.376 nan 8.230 nan 0.000 0.432 92 N N -0.442 118.260 118.700 0.003 0.000 2.188 92 N HA -0.130 4.625 4.740 0.026 0.000 0.184 92 N C 1.918 177.416 175.510 -0.019 0.000 1.018 92 N CA 1.631 54.677 53.050 -0.007 0.000 0.858 92 N CB -0.151 38.327 38.487 -0.015 0.000 0.989 92 N HN 0.373 nan 8.380 nan 0.000 0.426 93 I N 1.061 121.616 120.570 -0.025 0.000 2.202 93 I HA -0.191 3.994 4.170 0.026 0.000 0.242 93 I C 1.891 177.997 176.117 -0.019 0.000 1.091 93 I CA 0.846 62.121 61.300 -0.041 0.000 1.368 93 I CB -0.149 37.834 38.000 -0.028 0.000 1.058 93 I HN 0.006 nan 8.210 nan 0.000 0.410 94 L N 0.466 121.687 121.223 -0.003 0.000 2.551 94 L HA -0.034 4.322 4.340 0.026 0.000 0.228 94 L C 2.368 179.242 176.870 0.007 0.000 1.153 94 L CA 0.380 55.222 54.840 0.004 0.000 0.851 94 L CB -0.448 41.616 42.059 0.008 0.000 0.959 94 L HN 0.205 nan 8.230 nan 0.000 0.451 95 A N -0.447 122.377 122.820 0.006 0.000 2.238 95 A HA 0.197 4.533 4.320 0.026 0.000 0.208 95 A C 0.998 178.590 177.584 0.014 0.000 1.177 95 A CA 0.169 52.212 52.037 0.010 0.000 0.804 95 A CB -0.160 18.846 19.000 0.010 0.000 0.823 95 A HN 0.248 nan 8.150 nan 0.000 0.482 96 L N 0.327 121.559 121.223 0.016 0.000 2.416 96 L HA 0.323 4.678 4.340 0.026 0.000 0.262 96 L C 0.939 177.828 176.870 0.031 0.000 1.093 96 L CA -0.651 54.208 54.840 0.031 0.000 0.801 96 L CB 1.415 43.504 42.059 0.051 0.000 1.191 96 L HN 0.307 nan 8.230 nan 0.000 0.459 97 S N 0.104 115.826 115.700 0.038 0.000 2.576 97 S HA 0.204 4.690 4.470 0.026 0.000 0.276 97 S C -1.987 172.634 174.600 0.036 0.000 1.339 97 S CA -1.057 57.162 58.200 0.032 0.000 1.039 97 S CB 1.083 64.301 63.200 0.031 0.000 0.902 97 S HN 0.373 nan 8.310 nan 0.000 0.516 98 P HA -0.112 nan 4.420 nan 0.000 0.216 98 P C -1.480 175.843 177.300 0.039 0.000 1.167 98 P CA 1.741 64.859 63.100 0.029 0.000 0.914 98 P CB -1.318 30.396 31.700 0.023 0.000 0.793 99 P HA -0.111 nan 4.420 nan 0.000 0.220 99 P C 1.291 178.636 177.300 0.075 0.000 1.148 99 P CA 1.857 64.986 63.100 0.048 0.000 0.803 99 P CB -0.678 31.046 31.700 0.040 0.000 0.782 100 A N -0.228 122.647 122.820 0.092 0.000 1.968 100 A HA -0.212 4.123 4.320 0.026 0.000 0.217 100 A C 2.222 179.907 177.584 0.169 0.000 1.169 100 A CA 1.208 53.350 52.037 0.174 0.000 0.638 100 A CB -1.243 17.866 19.000 0.182 0.000 0.812 100 A HN 0.162 nan 8.150 nan 0.000 0.446 101 Q N -0.092 119.751 119.800 0.072 0.000 2.248 101 Q HA -0.193 4.162 4.340 0.026 0.000 0.208 101 Q C 1.435 177.448 176.000 0.022 0.000 0.984 101 Q CA 1.586 57.397 55.803 0.015 0.000 0.875 101 Q CB -0.152 28.595 28.738 0.015 0.000 0.910 101 Q HN 0.678 nan 8.270 nan 0.000 0.433 102 N N -0.100 118.634 118.700 0.056 0.000 2.368 102 N HA 0.001 4.757 4.740 0.026 0.000 0.178 102 N C 1.795 177.353 175.510 0.080 0.000 1.021 102 N CA 0.583 53.669 53.050 0.060 0.000 0.875 102 N CB -0.141 38.378 38.487 0.053 0.000 1.020 102 N HN 0.188 nan 8.380 nan 0.000 0.433 103 L N 1.009 122.301 121.223 0.116 0.000 2.081 103 L HA -0.149 4.207 4.340 0.026 0.000 0.212 103 L C 2.371 179.357 176.870 0.193 0.000 1.080 103 L CA 0.886 55.826 54.840 0.166 0.000 0.754 103 L CB -0.534 41.646 42.059 0.201 0.000 0.893 103 L HN 0.128 nan 8.230 nan 0.000 0.433 104 L N -0.241 120.997 121.223 0.024 0.000 2.012 104 L HA -0.245 4.110 4.340 0.026 0.000 0.210 104 L C 2.452 179.242 176.870 -0.134 0.000 1.073 104 L CA 1.546 56.110 54.840 -0.460 0.000 0.748 104 L CB -0.078 41.492 42.059 -0.815 0.000 0.891 104 L HN 0.178 nan 8.230 nan 0.000 0.431 105 L N -1.014 120.238 121.223 0.049 0.000 2.179 105 L HA -0.141 4.214 4.340 0.026 0.000 0.208 105 L C 2.566 179.616 176.870 0.299 0.000 1.096 105 L CA 0.799 55.798 54.840 0.265 0.000 0.779 105 L CB -0.479 41.697 42.059 0.194 0.000 0.922 105 L HN 0.207 nan 8.230 nan 0.000 0.443 106 K N -0.180 120.317 120.400 0.162 0.000 2.057 106 K HA -0.124 4.211 4.320 0.026 0.000 0.207 106 K C 2.329 178.997 176.600 0.114 0.000 1.049 106 K CA 1.346 57.721 56.287 0.145 0.000 0.931 106 K CB -0.174 32.387 32.500 0.102 0.000 0.714 106 K HN 0.094 nan 8.250 nan 0.000 0.440 107 S N 0.173 115.902 115.700 0.049 0.000 2.392 107 S HA -0.182 4.304 4.470 0.026 0.000 0.232 107 S C 1.726 176.333 174.600 0.012 0.000 1.041 107 S CA 1.458 59.656 58.200 -0.004 0.000 1.026 107 S CB -0.216 62.826 63.200 -0.264 0.000 0.845 107 S HN 0.348 nan 8.310 nan 0.000 0.465 108 Y N -1.784 118.445 120.300 -0.118 0.000 2.343 108 Y HA 0.150 4.715 4.550 0.026 0.000 0.294 108 Y C 1.596 177.070 175.900 -0.710 0.000 1.122 108 Y CA 0.540 58.246 58.100 -0.657 0.000 1.173 108 Y CB 0.156 38.045 38.460 -0.952 0.000 1.077 108 Y HN 0.217 nan 8.280 nan 0.000 0.542 109 F N -1.739 118.284 119.950 0.121 0.000 2.680 109 F HA 0.129 4.673 4.527 0.027 0.000 0.290 109 F C 1.436 177.279 175.800 0.072 0.000 1.114 109 F CA -0.200 57.866 58.000 0.109 0.000 1.333 109 F CB 0.037 39.108 39.000 0.118 0.000 1.091 109 F HN -0.268 nan 8.300 nan 0.000 0.606 110 S N 0.444 116.267 115.700 0.205 0.000 2.600 110 S HA 0.015 4.500 4.470 0.026 0.000 0.265 110 S C 1.415 176.057 174.600 0.070 0.000 1.325 110 S CA -0.423 57.856 58.200 0.132 0.000 1.002 110 S CB 0.759 64.029 63.200 0.117 0.000 0.921 110 S HN 0.206 nan 8.310 nan 0.000 0.554 111 E N 1.477 121.712 120.200 0.058 0.000 2.152 111 E HA -0.073 4.293 4.350 0.026 0.000 0.192 111 E C 1.563 178.175 176.600 0.020 0.000 0.983 111 E CA 0.847 57.256 56.400 0.015 0.000 0.818 111 E CB -0.210 29.511 29.700 0.036 0.000 0.758 111 E HN 0.679 nan 8.360 nan 0.000 0.467 112 E N 0.527 120.778 120.200 0.085 0.000 2.409 112 E HA -0.029 4.336 4.350 0.026 0.000 0.198 112 E C 1.051 177.787 176.600 0.227 0.000 1.024 112 E CA 0.704 57.201 56.400 0.162 0.000 0.861 112 E CB -0.151 29.628 29.700 0.132 0.000 0.788 112 E HN 0.239 nan 8.360 nan 0.000 0.521 113 G N 0.239 109.112 108.800 0.122 0.000 3.019 113 G HA2 0.353 4.329 3.960 0.026 0.000 0.152 113 G HA3 0.353 4.329 3.960 0.026 0.000 0.152 113 G C 0.577 175.430 174.900 -0.080 0.000 1.320 113 G CA -0.243 44.933 45.100 0.126 0.000 1.013 113 G HN 0.230 nan 8.290 nan 0.000 0.593 114 I N -1.921 118.540 120.570 -0.183 0.000 3.891 114 I HA 0.459 4.644 4.170 0.026 0.000 0.331 114 I C 1.151 177.102 176.117 -0.277 0.000 1.406 114 I CA 0.177 61.243 61.300 -0.389 0.000 1.139 114 I CB 0.029 37.670 38.000 -0.599 0.000 1.056 114 I HN 0.657 nan 8.210 nan 0.000 0.399 115 G N 1.670 110.376 108.800 -0.156 0.000 2.386 115 G HA2 -0.323 3.653 3.960 0.026 0.000 0.295 115 G HA3 -0.323 3.653 3.960 0.026 0.000 0.295 115 G C -0.087 174.878 174.900 0.109 0.000 0.979 115 G CA 0.034 45.117 45.100 -0.028 0.000 1.193 115 G HN 0.682 nan 8.290 nan 0.000 0.508 116 Y N 0.145 120.374 120.300 -0.119 0.000 2.497 116 Y HA 0.112 4.677 4.550 0.025 0.000 0.334 116 Y C 1.598 177.548 175.900 0.082 0.000 1.199 116 Y CA 0.132 58.173 58.100 -0.098 0.000 1.425 116 Y CB 0.742 38.930 38.460 -0.452 0.000 1.291 116 Y HN 0.534 nan 8.280 nan 0.000 0.562 117 N N 2.502 121.306 118.700 0.174 0.000 2.184 117 N HA 0.197 4.953 4.740 0.026 0.000 0.234 117 N C -0.981 174.557 175.510 0.048 0.000 1.282 117 N CA 0.112 53.235 53.050 0.121 0.000 0.877 117 N CB 0.328 38.848 38.487 0.056 0.000 1.184 117 N HN 0.444 nan 8.380 nan 0.000 0.510 118 I N 1.014 121.614 120.570 0.049 0.000 2.582 118 I HA 0.470 4.655 4.170 0.026 0.000 0.292 118 I C -0.959 175.231 176.117 0.122 0.000 1.066 118 I CA -0.819 60.504 61.300 0.038 0.000 1.053 118 I CB 2.393 40.396 38.000 0.006 0.000 1.241 118 I HN -0.154 nan 8.210 nan 0.000 0.421 119 I N 5.167 125.828 120.570 0.153 0.000 2.466 119 I HA 0.448 4.633 4.170 0.026 0.000 0.289 119 I C -0.296 175.945 176.117 0.206 0.000 1.026 119 I CA -0.642 60.771 61.300 0.188 0.000 1.078 119 I CB 2.056 40.159 38.000 0.172 0.000 1.249 119 I HN 0.503 nan 8.210 nan 0.000 0.429 120 R N 5.520 126.160 120.500 0.233 0.000 2.221 120 R HA 0.609 4.965 4.340 0.026 0.000 0.327 120 R C -1.453 175.026 176.300 0.299 0.000 1.033 120 R CA -0.372 55.896 56.100 0.280 0.000 0.887 120 R CB 1.149 31.608 30.300 0.264 0.000 1.057 120 R HN 0.485 nan 8.270 nan 0.000 0.455 121 V N 7.851 127.974 119.914 0.349 0.000 2.347 121 V HA 0.352 4.488 4.120 0.026 0.000 0.280 121 V C -2.108 174.144 176.094 0.262 0.000 1.021 121 V CA -2.232 60.270 62.300 0.337 0.000 0.847 121 V CB 1.495 33.605 31.823 0.478 0.000 0.990 121 V HN 0.835 nan 8.190 nan 0.000 0.444 122 P HA 0.252 nan 4.420 nan 0.000 0.271 122 P C -0.411 176.894 177.300 0.009 0.000 1.218 122 P CA -0.158 63.016 63.100 0.123 0.000 0.780 122 P CB 0.447 32.089 31.700 -0.097 0.000 0.901 123 M N 2.750 122.257 119.600 -0.156 0.000 2.151 123 M HA 0.446 4.942 4.480 0.026 0.000 0.349 123 M C 0.594 176.696 176.300 -0.330 0.000 1.284 123 M CA 0.145 55.244 55.300 -0.335 0.000 1.173 123 M CB -0.323 31.871 32.600 -0.677 0.000 1.469 123 M HN 0.585 nan 8.290 nan 0.000 0.439 124 A N 1.860 124.381 122.820 -0.497 0.000 5.953 124 A HA -0.174 4.162 4.320 0.026 0.000 0.267 124 A C 0.276 177.491 177.584 -0.614 0.000 2.116 124 A CA 0.503 52.091 52.037 -0.748 0.000 0.711 124 A CB -1.699 16.605 19.000 -1.160 0.000 1.100 124 A HN 0.911 nan 8.150 nan 0.000 0.364 125 S N -0.067 115.033 115.700 -1.000 0.000 2.545 125 S HA 0.553 5.038 4.470 0.026 0.000 0.275 125 S C 0.632 174.867 174.600 -0.608 0.000 1.299 125 S CA -0.005 57.647 58.200 -0.913 0.000 1.048 125 S CB 0.391 62.826 63.200 -1.274 0.000 0.938 125 S HN 2.333 nan 8.310 nan 0.000 0.496 126 C N 1.489 120.411 119.300 -0.629 0.000 2.560 126 C HA 0.640 5.115 4.460 0.026 0.000 0.359 126 C C 1.422 176.256 174.990 -0.259 0.000 2.885 126 C CA 0.058 58.596 59.018 -0.800 0.000 1.861 126 C CB -0.053 26.731 27.740 -1.593 0.000 2.588 126 C HN 0.872 nan 8.230 nan 0.000 0.397 127 D N -0.013 120.266 120.400 -0.202 0.000 2.348 127 D HA 0.007 4.662 4.640 0.026 0.000 0.211 127 D C 0.593 176.579 176.300 -0.524 0.000 0.998 127 D CA 0.502 54.368 54.000 -0.223 0.000 0.873 127 D CB -0.470 39.822 40.800 -0.846 0.000 0.925 127 D HN 0.571 nan 8.370 nan 0.000 0.524 128 F N 1.246 121.080 119.950 -0.194 0.000 2.898 128 F HA 0.296 4.839 4.527 0.026 0.000 0.290 128 F C 0.633 176.363 175.800 -0.116 0.000 1.195 128 F CA -0.255 57.623 58.000 -0.203 0.000 1.387 128 F CB 0.318 39.074 39.000 -0.407 0.000 0.976 128 F HN -0.255 nan 8.300 nan 0.000 0.510 129 S N 0.295 116.013 115.700 0.031 0.000 2.689 129 S HA 0.536 5.022 4.470 0.026 0.000 0.306 129 S C 0.809 175.471 174.600 0.104 0.000 1.104 129 S CA -0.623 57.603 58.200 0.044 0.000 0.973 129 S CB 1.509 64.659 63.200 -0.085 0.000 1.121 129 S HN 0.353 nan 8.310 nan 0.000 0.523 130 I N -0.631 119.995 120.570 0.092 0.000 3.941 130 I HA 0.481 4.666 4.170 0.026 0.000 0.335 130 I C 0.147 176.295 176.117 0.053 0.000 1.402 130 I CA -0.466 60.899 61.300 0.108 0.000 1.112 130 I CB -0.178 37.873 38.000 0.086 0.000 1.043 130 I HN 0.446 nan 8.210 nan 0.000 0.395 131 R N -0.173 120.292 120.500 -0.057 0.000 2.728 131 R HA 0.493 4.849 4.340 0.026 0.000 0.274 131 R C -1.096 174.976 176.300 -0.380 0.000 1.032 131 R CA -0.580 55.416 56.100 -0.174 0.000 0.866 131 R CB 0.372 30.665 30.300 -0.012 0.000 1.263 131 R HN 0.077 nan 8.270 nan 0.000 0.475 132 T N -0.336 113.893 114.554 -0.543 0.000 2.767 132 T HA 0.656 5.021 4.350 0.026 0.000 0.288 132 T C -0.618 173.914 174.700 -0.280 0.000 0.963 132 T CA -0.629 61.096 62.100 -0.625 0.000 1.019 132 T CB 0.468 68.884 68.868 -0.754 0.000 0.923 132 T HN 0.611 nan 8.240 nan 0.000 0.468 133 Y N -0.763 119.378 120.300 -0.264 0.000 2.558 133 Y HA 0.702 5.267 4.550 0.026 0.000 0.333 133 Y C -0.259 175.527 175.900 -0.190 0.000 1.125 133 Y CA -1.274 56.718 58.100 -0.181 0.000 1.039 133 Y CB 0.768 39.142 38.460 -0.143 0.000 1.331 133 Y HN 0.881 nan 8.280 nan 0.000 0.456 134 T N -1.955 112.597 114.554 -0.003 0.000 2.870 134 T HA 0.429 4.794 4.350 0.026 0.000 0.277 134 T C -0.347 174.423 174.700 0.117 0.000 1.000 134 T CA -0.545 61.532 62.100 -0.038 0.000 0.982 134 T CB 0.921 69.813 68.868 0.039 0.000 1.249 134 T HN 0.774 nan 8.240 nan 0.000 0.589 135 Y N -0.330 120.028 120.300 0.097 0.000 2.457 135 Y HA 0.527 5.093 4.550 0.026 0.000 0.263 135 Y C 1.382 177.032 175.900 -0.416 0.000 1.164 135 Y CA -0.536 57.362 58.100 -0.336 0.000 1.274 135 Y CB 0.533 38.436 38.460 -0.927 0.000 1.097 135 Y HN 0.769 nan 8.280 nan 0.000 0.523 136 A N -0.128 122.774 122.820 0.135 0.000 3.409 136 A HA 0.257 4.592 4.320 0.026 0.000 0.282 136 A C -0.300 177.528 177.584 0.408 0.000 1.064 136 A CA -0.455 51.751 52.037 0.281 0.000 0.889 136 A CB -0.135 19.168 19.000 0.504 0.000 1.251 136 A HN 0.158 nan 8.150 nan 0.000 0.538 137 D N 0.466 121.021 120.400 0.259 0.000 2.348 137 D HA 0.009 4.664 4.640 0.026 0.000 0.211 137 D C 0.328 176.761 176.300 0.222 0.000 0.998 137 D CA 0.829 54.986 54.000 0.262 0.000 0.873 137 D CB 0.352 41.236 40.800 0.141 0.000 0.925 137 D HN 0.440 nan 8.370 nan 0.000 0.524 138 T N 3.892 118.520 114.554 0.122 0.000 2.792 138 T HA 0.080 4.446 4.350 0.026 0.000 0.286 138 T C -2.374 172.115 174.700 -0.353 0.000 0.970 138 T CA -0.859 61.208 62.100 -0.054 0.000 1.187 138 T CB 0.880 69.707 68.868 -0.068 0.000 0.915 138 T HN -0.008 nan 8.240 nan 0.000 0.529 139 P HA 0.119 nan 4.420 nan 0.000 0.268 139 P C 0.147 176.838 177.300 -1.014 0.000 1.205 139 P CA -0.013 62.630 63.100 -0.762 0.000 0.771 139 P CB 0.289 31.841 31.700 -0.248 0.000 0.858 140 D N -0.105 119.382 120.400 -1.521 0.000 2.751 140 D HA -0.201 4.455 4.640 0.026 0.000 0.233 140 D C -0.068 175.523 176.300 -1.182 0.000 1.149 140 D CA 1.015 54.278 54.000 -1.228 0.000 0.682 140 D CB -1.630 38.973 40.800 -0.328 0.000 1.068 140 D HN 0.470 nan 8.370 nan 0.000 0.429 141 D N -0.832 118.575 120.400 -1.656 0.000 3.085 141 D HA 0.116 4.771 4.640 0.026 0.000 0.243 141 D C 1.215 177.381 176.300 -0.223 0.000 1.232 141 D CA -0.412 53.218 54.000 -0.616 0.000 0.913 141 D CB -0.771 39.864 40.800 -0.276 0.000 1.108 141 D HN 0.161 nan 8.370 nan 0.000 0.468 142 F N 0.124 120.075 119.950 0.001 0.000 2.184 142 F HA -0.226 4.317 4.527 0.026 0.000 0.301 142 F C 2.422 178.355 175.800 0.221 0.000 1.076 142 F CA 0.999 59.140 58.000 0.235 0.000 1.295 142 F CB -0.063 39.005 39.000 0.113 0.000 1.026 142 F HN 0.254 nan 8.300 nan 0.000 0.494 143 Q N -0.168 119.807 119.800 0.291 0.000 2.311 143 Q HA 0.031 4.386 4.340 0.026 0.000 0.203 143 Q C 1.174 177.324 176.000 0.249 0.000 0.954 143 Q CA 0.575 56.519 55.803 0.236 0.000 0.885 143 Q CB 0.055 28.893 28.738 0.168 0.000 0.963 143 Q HN 0.544 nan 8.270 nan 0.000 0.471 144 L N 0.296 121.690 121.223 0.286 0.000 3.730 144 L HA -0.260 4.095 4.340 0.026 0.000 0.410 144 L C 1.005 178.042 176.870 0.277 0.000 1.234 144 L CA 0.236 55.269 54.840 0.322 0.000 0.911 144 L CB -1.962 40.287 42.059 0.316 0.000 1.942 144 L HN 0.271 nan 8.230 nan 0.000 0.860 145 H N 0.784 119.939 119.070 0.142 0.000 2.462 145 H HA 0.020 4.592 4.556 0.026 0.000 0.292 145 H C 1.352 176.751 175.328 0.119 0.000 1.049 145 H CA 2.268 58.380 56.048 0.107 0.000 1.334 145 H CB 0.180 29.982 29.762 0.068 0.000 1.404 145 H HN 0.574 nan 8.280 nan 0.000 0.544 146 N N -0.000 118.725 118.700 0.042 0.000 2.389 146 N HA 0.064 4.820 4.740 0.026 0.000 0.237 146 N C -1.096 174.475 175.510 0.100 0.000 1.148 146 N CA -0.295 52.758 53.050 0.005 0.000 0.854 146 N CB -0.015 38.483 38.487 0.018 0.000 1.115 146 N HN 0.205 nan 8.380 nan 0.000 0.492 147 F N 2.211 122.164 119.950 0.004 0.000 2.424 147 F HA 0.360 4.903 4.527 0.026 0.000 0.356 147 F C 0.223 176.009 175.800 -0.024 0.000 1.110 147 F CA -0.513 57.495 58.000 0.013 0.000 1.161 147 F CB 0.419 39.407 39.000 -0.020 0.000 1.115 147 F HN -0.032 nan 8.300 nan 0.000 0.507 148 S N 5.908 121.443 115.700 -0.276 0.000 2.550 148 S HA 0.541 5.026 4.470 0.026 0.000 0.270 148 S C -1.200 173.236 174.600 -0.272 0.000 1.145 148 S CA -1.177 56.933 58.200 -0.150 0.000 0.852 148 S CB 1.130 64.310 63.200 -0.033 0.000 1.119 148 S HN 0.681 nan 8.310 nan 0.000 0.465 149 L N 2.847 123.951 121.223 -0.198 0.000 2.462 149 L HA 0.341 4.696 4.340 0.026 0.000 0.272 149 L C -1.582 175.255 176.870 -0.055 0.000 1.166 149 L CA -1.276 53.476 54.840 -0.147 0.000 0.880 149 L CB -0.188 41.772 42.059 -0.165 0.000 1.142 149 L HN 0.590 nan 8.230 nan 0.000 0.473 150 P HA 0.108 nan 4.420 nan 0.000 0.297 150 P C 0.292 177.528 177.300 -0.108 0.000 1.303 150 P CA -0.432 62.594 63.100 -0.123 0.000 0.753 150 P CB 0.766 32.268 31.700 -0.330 0.000 1.281 151 E N -0.392 119.729 120.200 -0.132 0.000 2.153 151 E HA -0.191 4.174 4.350 0.026 0.000 0.194 151 E C 1.631 178.187 176.600 -0.073 0.000 0.988 151 E CA 1.201 57.546 56.400 -0.090 0.000 0.811 151 E CB -0.128 29.521 29.700 -0.085 0.000 0.746 151 E HN 0.451 nan 8.360 nan 0.000 0.466 152 E N 0.729 120.869 120.200 -0.100 0.000 2.209 152 E HA -0.174 4.192 4.350 0.026 0.000 0.196 152 E C 1.414 178.045 176.600 0.051 0.000 0.993 152 E CA 1.088 57.476 56.400 -0.019 0.000 0.819 152 E CB 0.060 29.762 29.700 0.003 0.000 0.745 152 E HN 0.277 nan 8.360 nan 0.000 0.477 153 D N -0.969 119.458 120.400 0.046 0.000 2.320 153 D HA -0.047 4.608 4.640 0.026 0.000 0.228 153 D C 2.034 178.262 176.300 -0.120 0.000 0.978 153 D CA 1.809 55.829 54.000 0.033 0.000 0.905 153 D CB -0.292 40.540 40.800 0.053 0.000 1.051 153 D HN 0.282 nan 8.370 nan 0.000 0.471 154 T N -0.663 113.799 114.554 -0.153 0.000 2.915 154 T HA -0.048 4.318 4.350 0.026 0.000 0.269 154 T C 1.735 176.392 174.700 -0.073 0.000 1.071 154 T CA 0.856 62.851 62.100 -0.174 0.000 1.132 154 T CB 0.226 69.047 68.868 -0.078 0.000 0.878 154 T HN -0.140 nan 8.240 nan 0.000 0.479 155 K N -0.114 120.259 120.400 -0.046 0.000 2.365 155 K HA 0.444 4.779 4.320 0.026 0.000 0.195 155 K C 1.854 178.450 176.600 -0.006 0.000 1.079 155 K CA 0.204 56.480 56.287 -0.017 0.000 0.979 155 K CB 0.180 32.670 32.500 -0.016 0.000 0.929 155 K HN 0.378 nan 8.250 nan 0.000 0.523 156 L N -0.085 121.136 121.223 -0.004 0.000 2.738 156 L HA 0.101 4.457 4.340 0.026 0.000 0.178 156 L C 2.084 178.966 176.870 0.020 0.000 1.281 156 L CA 0.257 55.105 54.840 0.013 0.000 0.864 156 L CB -0.368 41.705 42.059 0.023 0.000 1.224 156 L HN -0.132 nan 8.230 nan 0.000 0.520 157 K N 0.719 121.145 120.400 0.045 0.000 1.987 157 K HA -0.173 4.163 4.320 0.026 0.000 0.216 157 K C 1.976 178.589 176.600 0.021 0.000 1.051 157 K CA 1.778 58.109 56.287 0.073 0.000 0.942 157 K CB -0.316 32.285 32.500 0.169 0.000 0.722 157 K HN 0.155 nan 8.250 nan 0.000 0.444 158 I N 0.649 121.192 120.570 -0.044 0.000 2.099 158 I HA -0.229 3.957 4.170 0.026 0.000 0.239 158 I C -0.933 175.104 176.117 -0.133 0.000 1.066 158 I CA 1.314 62.512 61.300 -0.170 0.000 1.324 158 I CB -1.106 36.661 38.000 -0.388 0.000 1.037 158 I HN 0.111 nan 8.210 nan 0.000 0.401 159 P HA -0.199 nan 4.420 nan 0.000 0.215 159 P C 1.991 179.316 177.300 0.042 0.000 1.157 159 P CA 1.578 64.739 63.100 0.101 0.000 0.874 159 P CB -0.013 31.724 31.700 0.063 0.000 0.790 160 L N -1.271 119.949 121.223 -0.005 0.000 2.012 160 L HA -0.207 4.149 4.340 0.026 0.000 0.210 160 L C 2.430 179.241 176.870 -0.097 0.000 1.073 160 L CA 1.614 56.435 54.840 -0.031 0.000 0.748 160 L CB -0.909 41.141 42.059 -0.014 0.000 0.891 160 L HN -0.045 nan 8.230 nan 0.000 0.431 161 I N -1.152 119.343 120.570 -0.125 0.000 2.194 161 I HA -0.358 3.827 4.170 0.026 0.000 0.246 161 I C 2.613 178.603 176.117 -0.212 0.000 1.093 161 I CA 1.205 62.385 61.300 -0.201 0.000 1.355 161 I CB -0.710 37.187 38.000 -0.172 0.000 1.046 161 I HN 0.360 nan 8.210 nan 0.000 0.413 162 H N 1.074 120.103 119.070 -0.067 0.000 2.321 162 H HA -0.080 4.492 4.556 0.026 0.000 0.300 162 H C 2.514 177.796 175.328 -0.077 0.000 1.087 162 H CA 1.393 57.406 56.048 -0.058 0.000 1.319 162 H CB -0.291 29.454 29.762 -0.028 0.000 1.379 162 H HN 0.323 nan 8.280 nan 0.000 0.501 163 R N 0.483 121.015 120.500 0.054 0.000 2.083 163 R HA -0.112 4.244 4.340 0.026 0.000 0.237 163 R C 2.614 178.861 176.300 -0.089 0.000 1.137 163 R CA 1.304 57.401 56.100 -0.005 0.000 0.951 163 R CB -0.338 29.961 30.300 -0.002 0.000 0.851 163 R HN 0.248 nan 8.270 nan 0.000 0.434 164 A N 1.237 123.909 122.820 -0.246 0.000 1.908 164 A HA -0.142 4.193 4.320 0.026 0.000 0.218 164 A C 2.176 179.564 177.584 -0.326 0.000 1.181 164 A CA 1.254 52.957 52.037 -0.557 0.000 0.627 164 A CB -0.565 17.654 19.000 -1.302 0.000 0.818 164 A HN 0.170 nan 8.150 nan 0.000 0.445 165 L N -1.049 120.056 121.223 -0.197 0.000 2.093 165 L HA -0.206 4.150 4.340 0.026 0.000 0.208 165 L C 2.863 179.731 176.870 -0.004 0.000 1.085 165 L CA 1.488 56.288 54.840 -0.067 0.000 0.755 165 L CB -0.993 41.046 42.059 -0.034 0.000 0.904 165 L HN 0.532 nan 8.230 nan 0.000 0.435 166 Q N 0.243 120.045 119.800 0.003 0.000 2.061 166 Q HA -0.198 4.158 4.340 0.026 0.000 0.204 166 Q C 2.417 178.439 176.000 0.036 0.000 0.984 166 Q CA 1.468 57.285 55.803 0.023 0.000 0.846 166 Q CB -0.108 28.644 28.738 0.023 0.000 0.902 166 Q HN 0.533 nan 8.270 nan 0.000 0.421 167 L N 0.205 121.453 121.223 0.042 0.000 2.131 167 L HA -0.077 4.279 4.340 0.026 0.000 0.210 167 L C 1.120 178.055 176.870 0.108 0.000 1.092 167 L CA 0.238 55.126 54.840 0.081 0.000 0.759 167 L CB -0.344 41.783 42.059 0.114 0.000 0.903 167 L HN 0.024 nan 8.230 nan 0.000 0.435 168 A N -0.587 122.304 122.820 0.119 0.000 2.366 168 A HA 0.149 4.485 4.320 0.026 0.000 0.272 168 A C 0.838 178.478 177.584 0.093 0.000 1.135 168 A CA -0.386 51.737 52.037 0.144 0.000 0.804 168 A CB 0.845 19.964 19.000 0.199 0.000 1.064 168 A HN 0.145 nan 8.150 nan 0.000 0.499 169 Q N 1.247 121.098 119.800 0.085 0.000 2.061 169 Q HA -0.006 4.349 4.340 0.026 0.000 0.195 169 Q C 0.337 176.372 176.000 0.059 0.000 0.967 169 Q CA 0.999 56.840 55.803 0.065 0.000 0.829 169 Q CB -0.131 28.643 28.738 0.060 0.000 0.900 169 Q HN 0.812 nan 8.270 nan 0.000 0.450 170 R N 2.100 122.638 120.500 0.063 0.000 2.504 170 R HA 0.034 4.390 4.340 0.026 0.000 0.291 170 R C -2.149 174.182 176.300 0.052 0.000 0.974 170 R CA -1.016 55.116 56.100 0.052 0.000 1.077 170 R CB -0.642 29.690 30.300 0.053 0.000 0.926 170 R HN 0.066 nan 8.270 nan 0.000 0.407 171 P HA -0.072 nan 4.420 nan 0.000 0.265 171 P C -0.711 176.597 177.300 0.014 0.000 1.187 171 P CA 0.199 63.310 63.100 0.019 0.000 0.766 171 P CB 0.532 32.235 31.700 0.005 0.000 0.820 172 V N 2.861 122.784 119.914 0.014 0.000 2.513 172 V HA 0.327 4.462 4.120 0.026 0.000 0.299 172 V C 0.111 176.186 176.094 -0.031 0.000 1.035 172 V CA -0.404 61.906 62.300 0.016 0.000 0.889 172 V CB 1.811 33.667 31.823 0.055 0.000 0.988 172 V HN 0.443 nan 8.190 nan 0.000 0.440 173 S N 5.683 121.340 115.700 -0.071 0.000 2.442 173 S HA 0.672 5.158 4.470 0.026 0.000 0.297 173 S C -0.397 174.232 174.600 0.049 0.000 1.131 173 S CA -0.591 57.570 58.200 -0.065 0.000 1.092 173 S CB 0.873 63.836 63.200 -0.396 0.000 0.998 173 S HN 0.512 nan 8.310 nan 0.000 0.478 174 L N 3.386 124.639 121.223 0.050 0.000 2.307 174 L HA 0.584 4.940 4.340 0.026 0.000 0.282 174 L C -0.665 176.434 176.870 0.382 0.000 1.051 174 L CA -0.903 53.921 54.840 -0.027 0.000 0.804 174 L CB 0.812 42.409 42.059 -0.769 0.000 1.197 174 L HN 0.436 nan 8.230 nan 0.000 0.431 175 L N 3.311 124.822 121.223 0.481 0.000 2.372 175 L HA 0.743 5.099 4.340 0.026 0.000 0.274 175 L C -0.256 176.888 176.870 0.457 0.000 0.988 175 L CA -0.157 54.970 54.840 0.477 0.000 0.833 175 L CB 1.464 43.730 42.059 0.345 0.000 1.236 175 L HN 0.678 nan 8.230 nan 0.000 0.410 176 A N 3.319 126.306 122.820 0.278 0.000 2.306 176 A HA 0.869 5.204 4.320 0.026 0.000 0.314 176 A C -0.467 177.089 177.584 -0.047 0.000 1.164 176 A CA -0.394 51.642 52.037 -0.002 0.000 0.822 176 A CB 0.782 19.512 19.000 -0.450 0.000 1.130 176 A HN 0.706 nan 8.150 nan 0.000 0.496 177 S N 3.239 118.934 115.700 -0.009 0.000 2.614 177 S HA 0.659 5.144 4.470 0.026 0.000 0.288 177 S C -2.942 171.703 174.600 0.075 0.000 1.137 177 S CA -0.868 57.341 58.200 0.014 0.000 0.992 177 S CB 2.112 65.345 63.200 0.054 0.000 1.026 177 S HN 0.678 nan 8.310 nan 0.000 0.486 178 P HA 0.283 nan 4.420 nan 0.000 0.284 178 P C 0.006 177.464 177.300 0.264 0.000 1.258 178 P CA -0.644 62.499 63.100 0.072 0.000 0.824 178 P CB 1.346 32.974 31.700 -0.119 0.000 1.038 179 W N 0.218 121.498 121.300 -0.034 0.000 3.008 179 W HA 0.054 4.730 4.660 0.025 0.000 0.259 179 W C 0.821 177.321 176.519 -0.030 0.000 1.045 179 W CA 0.562 57.912 57.345 0.008 0.000 1.814 179 W CB 0.306 29.786 29.460 0.033 0.000 1.089 179 W HN 0.234 nan 8.180 nan 0.000 0.606 180 T N 0.420 115.071 114.554 0.162 0.000 2.932 180 T HA 0.354 4.719 4.350 0.026 0.000 0.289 180 T C -0.054 174.435 174.700 -0.352 0.000 1.039 180 T CA -0.356 61.680 62.100 -0.107 0.000 1.024 180 T CB 1.575 70.379 68.868 -0.107 0.000 1.090 180 T HN -0.027 nan 8.240 nan 0.000 0.496 181 S N 3.141 118.375 115.700 -0.777 0.000 2.713 181 S HA 0.685 5.170 4.470 0.026 0.000 0.283 181 S C -2.754 171.409 174.600 -0.727 0.000 1.161 181 S CA -1.302 56.109 58.200 -1.315 0.000 0.999 181 S CB 0.630 62.578 63.200 -2.086 0.000 1.039 181 S HN 0.520 nan 8.310 nan 0.000 0.548 182 P HA -0.039 nan 4.420 nan 0.000 0.267 182 P C 1.111 178.040 177.300 -0.618 0.000 1.175 182 P CA 0.551 63.312 63.100 -0.565 0.000 0.763 182 P CB 0.207 31.318 31.700 -0.981 0.000 0.795 183 T N -1.282 113.066 114.554 -0.343 0.000 2.985 183 T HA -0.109 4.257 4.350 0.026 0.000 0.266 183 T C 1.439 176.050 174.700 -0.149 0.000 1.076 183 T CA 0.477 62.448 62.100 -0.216 0.000 1.135 183 T CB -0.699 68.130 68.868 -0.065 0.000 0.890 183 T HN 0.555 nan 8.240 nan 0.000 0.480 184 W N 1.864 123.118 121.300 -0.077 0.000 2.468 184 W HA 0.174 4.850 4.660 0.026 0.000 0.262 184 W C 0.967 177.496 176.519 0.017 0.000 1.241 184 W CA -0.104 57.219 57.345 -0.037 0.000 1.232 184 W CB -1.087 28.338 29.460 -0.059 0.000 1.124 184 W HN 0.257 nan 8.180 nan 0.000 0.597 185 L N 0.798 121.736 121.223 -0.476 0.000 2.599 185 L HA 0.131 4.487 4.340 0.026 0.000 0.230 185 L C 0.687 177.368 176.870 -0.316 0.000 1.141 185 L CA 0.902 55.582 54.840 -0.266 0.000 0.877 185 L CB -0.515 41.232 42.059 -0.519 0.000 1.009 185 L HN -0.239 nan 8.230 nan 0.000 0.447 186 K N -0.331 119.887 120.400 -0.303 0.000 2.244 186 K HA 0.205 4.540 4.320 0.026 0.000 0.260 186 K C 1.195 177.665 176.600 -0.218 0.000 0.951 186 K CA -0.068 56.030 56.287 -0.315 0.000 0.826 186 K CB 1.840 34.151 32.500 -0.315 0.000 1.108 186 K HN -0.062 nan 8.250 nan 0.000 0.433 187 T N -1.047 113.371 114.554 -0.225 0.000 2.822 187 T HA -0.201 4.164 4.350 0.026 0.000 0.270 187 T C 1.132 175.764 174.700 -0.113 0.000 1.064 187 T CA 1.727 63.726 62.100 -0.169 0.000 1.131 187 T CB -0.237 68.536 68.868 -0.158 0.000 0.858 187 T HN 0.680 nan 8.240 nan 0.000 0.483 188 N N 0.840 119.472 118.700 -0.113 0.000 2.205 188 N HA 0.194 4.949 4.740 0.026 0.000 0.201 188 N C 1.534 177.010 175.510 -0.058 0.000 1.128 188 N CA 0.636 53.640 53.050 -0.078 0.000 0.867 188 N CB -0.175 38.265 38.487 -0.078 0.000 0.996 188 N HN 0.643 nan 8.380 nan 0.000 0.503 189 G N -0.216 108.546 108.800 -0.064 0.000 2.153 189 G HA2 -0.064 3.912 3.960 0.026 0.000 0.252 189 G HA3 -0.064 3.912 3.960 0.026 0.000 0.252 189 G C 0.046 174.924 174.900 -0.035 0.000 0.994 189 G CA 0.441 45.521 45.100 -0.033 0.000 0.698 189 G HN 0.919 nan 8.290 nan 0.000 0.521 190 A N -1.565 121.220 122.820 -0.059 0.000 2.587 190 A HA 0.882 5.217 4.320 0.026 0.000 0.293 190 A C 1.260 178.805 177.584 -0.066 0.000 1.087 190 A CA 0.370 52.380 52.037 -0.046 0.000 0.692 190 A CB 0.966 19.957 19.000 -0.016 0.000 1.291 190 A HN 1.511 nan 8.150 nan 0.000 0.407 191 V N -0.814 119.068 119.914 -0.054 0.000 2.594 191 V HA -0.031 4.104 4.120 0.026 0.000 0.253 191 V C 0.677 176.790 176.094 0.032 0.000 1.069 191 V CA 2.050 64.318 62.300 -0.053 0.000 1.082 191 V CB -1.680 30.092 31.823 -0.085 0.000 0.680 191 V HN 0.929 nan 8.190 nan 0.000 0.469 192 N N 0.113 118.855 118.700 0.070 0.000 3.184 192 N HA 0.693 5.449 4.740 0.026 0.000 0.353 192 N C 0.452 175.998 175.510 0.060 0.000 1.441 192 N CA 0.126 53.250 53.050 0.123 0.000 0.723 192 N CB 0.317 38.909 38.487 0.174 0.000 1.547 192 N HN 0.892 nan 8.380 nan 0.000 0.624 193 G N -0.729 108.119 108.800 0.079 0.000 2.782 193 G HA2 -0.183 3.792 3.960 0.026 0.000 0.228 193 G HA3 -0.183 3.792 3.960 0.026 0.000 0.228 193 G C -0.854 174.055 174.900 0.014 0.000 1.372 193 G CA -0.279 44.844 45.100 0.038 0.000 0.862 193 G HN 0.759 nan 8.290 nan 0.000 0.547 194 K N 0.535 120.927 120.400 -0.014 0.000 2.326 194 K HA 0.547 4.883 4.320 0.026 0.000 0.275 194 K C 0.501 177.054 176.600 -0.079 0.000 1.018 194 K CA 0.754 57.012 56.287 -0.048 0.000 0.962 194 K CB 0.404 32.878 32.500 -0.042 0.000 0.953 194 K HN 2.125 nan 8.250 nan 0.000 0.475 195 G N 1.350 110.080 108.800 -0.116 0.000 2.322 195 G HA2 0.129 4.104 3.960 0.026 0.000 0.289 195 G HA3 0.129 4.104 3.960 0.026 0.000 0.289 195 G C -1.170 173.591 174.900 -0.232 0.000 1.687 195 G CA -0.336 44.672 45.100 -0.155 0.000 0.944 195 G HN 0.685 nan 8.290 nan 0.000 0.718 196 S N 0.542 116.080 115.700 -0.270 0.000 2.900 196 S HA 0.848 5.333 4.470 0.026 0.000 0.320 196 S C 0.128 174.466 174.600 -0.436 0.000 1.130 196 S CA -1.066 56.885 58.200 -0.416 0.000 0.863 196 S CB 0.975 63.967 63.200 -0.347 0.000 1.295 196 S HN 0.901 nan 8.310 nan 0.000 0.596 197 L N 1.492 122.383 121.223 -0.552 0.000 2.483 197 L HA 0.262 4.617 4.340 0.026 0.000 0.276 197 L C 0.705 177.397 176.870 -0.296 0.000 1.213 197 L CA -0.167 54.369 54.840 -0.506 0.000 0.843 197 L CB 0.169 41.782 42.059 -0.745 0.000 1.107 197 L HN 0.623 nan 8.230 nan 0.000 0.487 198 K N 1.494 121.646 120.400 -0.413 0.000 2.319 198 K HA 0.315 4.650 4.320 0.026 0.000 0.265 198 K C 0.826 177.259 176.600 -0.279 0.000 1.000 198 K CA 0.568 56.531 56.287 -0.540 0.000 0.943 198 K CB 0.550 32.338 32.500 -1.187 0.000 0.950 198 K HN 0.821 nan 8.250 nan 0.000 0.485 199 G N 0.955 109.643 108.800 -0.187 0.000 2.561 199 G HA2 -0.311 3.665 3.960 0.026 0.000 0.289 199 G HA3 -0.311 3.665 3.960 0.026 0.000 0.289 199 G C -0.740 174.188 174.900 0.047 0.000 1.169 199 G CA 0.161 45.271 45.100 0.017 0.000 0.980 199 G HN 0.513 nan 8.290 nan 0.000 0.550 200 Q N 0.582 120.403 119.800 0.036 0.000 2.281 200 Q HA 0.581 4.936 4.340 0.026 0.000 0.263 200 Q C -2.748 172.940 176.000 -0.520 0.000 0.989 200 Q CA -1.243 54.431 55.803 -0.214 0.000 0.852 200 Q CB 2.416 31.098 28.738 -0.093 0.000 1.337 200 Q HN 0.451 nan 8.270 nan 0.000 0.418 201 P HA 0.159 nan 4.420 nan 0.000 0.264 201 P C 0.491 177.692 177.300 -0.165 0.000 1.183 201 P CA 1.602 64.381 63.100 -0.536 0.000 0.763 201 P CB 0.686 32.309 31.700 -0.128 0.000 0.807 202 G N 1.652 110.455 108.800 0.004 0.000 2.284 202 G HA2 -0.175 3.801 3.960 0.026 0.000 0.216 202 G HA3 -0.175 3.801 3.960 0.026 0.000 0.216 202 G C 0.123 175.081 174.900 0.096 0.000 1.009 202 G CA 0.253 45.384 45.100 0.052 0.000 0.625 202 G HN 0.715 nan 8.290 nan 0.000 0.501 203 D N 0.516 120.990 120.400 0.123 0.000 2.506 203 D HA 0.539 5.194 4.640 0.026 0.000 0.272 203 D C 1.676 178.115 176.300 0.232 0.000 1.214 203 D CA -0.378 53.720 54.000 0.163 0.000 1.067 203 D CB 0.361 41.268 40.800 0.178 0.000 1.117 203 D HN 0.242 nan 8.370 nan 0.000 0.578 204 I N -0.271 120.364 120.570 0.109 0.000 2.208 204 I HA -0.242 3.944 4.170 0.026 0.000 0.245 204 I C 1.777 177.971 176.117 0.129 0.000 1.097 204 I CA 1.438 62.726 61.300 -0.019 0.000 1.363 204 I CB -0.617 37.146 38.000 -0.396 0.000 1.051 204 I HN 0.415 nan 8.210 nan 0.000 0.413 205 Y N -0.079 120.412 120.300 0.319 0.000 2.114 205 Y HA -0.281 4.285 4.550 0.026 0.000 0.284 205 Y C 2.728 178.791 175.900 0.272 0.000 1.143 205 Y CA 2.277 60.585 58.100 0.347 0.000 1.135 205 Y CB -1.111 37.480 38.460 0.218 0.000 0.980 205 Y HN 0.294 nan 8.280 nan 0.000 0.499 206 H N -0.735 118.589 119.070 0.423 0.000 2.321 206 H HA -0.148 4.423 4.556 0.026 0.000 0.300 206 H C 2.171 177.778 175.328 0.465 0.000 1.087 206 H CA 1.676 57.980 56.048 0.426 0.000 1.319 206 H CB -0.219 29.792 29.762 0.415 0.000 1.379 206 H HN 0.227 nan 8.280 nan 0.000 0.501 207 Q N -0.086 119.988 119.800 0.457 0.000 2.135 207 Q HA -0.118 4.237 4.340 0.026 0.000 0.204 207 Q C 2.242 178.461 176.000 0.364 0.000 0.981 207 Q CA 1.739 57.746 55.803 0.340 0.000 0.856 207 Q CB -0.431 28.443 28.738 0.226 0.000 0.902 207 Q HN 0.499 nan 8.270 nan 0.000 0.425 208 T N 0.403 115.209 114.554 0.419 0.000 2.708 208 T HA -0.159 4.207 4.350 0.026 0.000 0.266 208 T C 1.231 176.252 174.700 0.534 0.000 1.037 208 T CA 0.941 63.323 62.100 0.469 0.000 1.146 208 T CB -0.439 68.770 68.868 0.568 0.000 0.865 208 T HN 0.522 nan 8.240 nan 0.000 0.435 209 W N 1.614 123.078 121.300 0.273 0.000 2.342 209 W HA -0.165 4.511 4.660 0.026 0.000 0.297 209 W C 2.473 179.286 176.519 0.491 0.000 1.213 209 W CA 0.862 58.355 57.345 0.247 0.000 1.251 209 W CB -0.146 29.318 29.460 0.007 0.000 1.136 209 W HN 0.294 nan 8.180 nan 0.000 0.526 210 A N 0.982 124.095 122.820 0.488 0.000 1.873 210 A HA -0.183 4.152 4.320 0.026 0.000 0.215 210 A C 1.918 179.645 177.584 0.238 0.000 1.186 210 A CA 1.550 53.750 52.037 0.272 0.000 0.616 210 A CB -0.948 18.143 19.000 0.151 0.000 0.823 210 A HN 0.327 nan 8.150 nan 0.000 0.442 211 R N -1.996 118.657 120.500 0.254 0.000 2.139 211 R HA -0.213 4.143 4.340 0.026 0.000 0.243 211 R C 2.052 178.469 176.300 0.194 0.000 1.145 211 R CA 1.737 57.952 56.100 0.191 0.000 0.976 211 R CB -0.589 29.824 30.300 0.190 0.000 0.866 211 R HN 0.767 nan 8.270 nan 0.000 0.449 212 Y N 0.594 120.988 120.300 0.157 0.000 2.128 212 Y HA -0.312 4.254 4.550 0.026 0.000 0.284 212 Y C 1.841 177.747 175.900 0.011 0.000 1.154 212 Y CA 1.574 59.754 58.100 0.134 0.000 1.149 212 Y CB -0.261 38.342 38.460 0.237 0.000 0.976 212 Y HN -0.119 nan 8.280 nan 0.000 0.505 213 F N -0.451 119.539 119.950 0.066 0.000 2.043 213 F HA -0.356 4.186 4.527 0.026 0.000 0.297 213 F C 2.425 178.214 175.800 -0.018 0.000 1.118 213 F CA 1.999 59.993 58.000 -0.010 0.000 1.202 213 F CB -1.307 37.600 39.000 -0.155 0.000 0.965 213 F HN -0.104 nan 8.300 nan 0.000 0.482 214 V N -0.093 119.903 119.914 0.137 0.000 2.332 214 V HA -0.299 3.837 4.120 0.026 0.000 0.248 214 V C 2.455 178.489 176.094 -0.100 0.000 1.055 214 V CA 1.683 64.008 62.300 0.042 0.000 1.038 214 V CB -0.555 31.314 31.823 0.077 0.000 0.651 214 V HN 0.220 nan 8.190 nan 0.000 0.450 215 K N -0.296 119.944 120.400 -0.266 0.000 2.009 215 K HA -0.203 4.132 4.320 0.026 0.000 0.210 215 K C 2.005 178.296 176.600 -0.515 0.000 1.049 215 K CA 1.840 57.724 56.287 -0.671 0.000 0.929 215 K CB -1.073 30.486 32.500 -1.569 0.000 0.714 215 K HN 0.477 nan 8.250 nan 0.000 0.440 216 F N 2.212 121.946 119.950 -0.359 0.000 2.043 216 F HA -0.251 4.292 4.527 0.026 0.000 0.297 216 F C 2.016 177.756 175.800 -0.099 0.000 1.118 216 F CA 1.630 59.596 58.000 -0.056 0.000 1.202 216 F CB -0.638 38.334 39.000 -0.046 0.000 0.965 216 F HN -0.072 nan 8.300 nan 0.000 0.482 217 L N -0.077 120.881 121.223 -0.442 0.000 2.079 217 L HA -0.239 4.117 4.340 0.026 0.000 0.210 217 L C 2.263 178.871 176.870 -0.438 0.000 1.081 217 L CA 1.489 55.957 54.840 -0.620 0.000 0.752 217 L CB -1.107 40.450 42.059 -0.837 0.000 0.896 217 L HN 0.148 nan 8.230 nan 0.000 0.433 218 D N 0.609 120.879 120.400 -0.217 0.000 2.092 218 D HA -0.181 4.475 4.640 0.026 0.000 0.193 218 D C 2.286 178.587 176.300 0.002 0.000 0.994 218 D CA 1.746 55.760 54.000 0.022 0.000 0.828 218 D CB -0.115 40.692 40.800 0.011 0.000 0.963 218 D HN 0.338 nan 8.370 nan 0.000 0.450 219 A N -0.030 122.768 122.820 -0.035 0.000 1.898 219 A HA -0.191 4.144 4.320 0.026 0.000 0.216 219 A C 2.101 179.716 177.584 0.052 0.000 1.181 219 A CA 1.039 53.099 52.037 0.039 0.000 0.620 219 A CB -1.018 18.045 19.000 0.104 0.000 0.819 219 A HN 0.217 nan 8.150 nan 0.000 0.442 220 Y N -0.087 120.100 120.300 -0.189 0.000 2.352 220 Y HA -0.049 4.517 4.550 0.026 0.000 0.292 220 Y C 2.756 178.680 175.900 0.039 0.000 1.136 220 Y CA 0.740 58.776 58.100 -0.107 0.000 1.227 220 Y CB -0.276 38.056 38.460 -0.213 0.000 0.991 220 Y HN 0.343 nan 8.280 nan 0.000 0.545 221 A N -0.303 122.604 122.820 0.144 0.000 2.014 221 A HA -0.122 4.213 4.320 0.026 0.000 0.218 221 A C 1.856 179.500 177.584 0.100 0.000 1.163 221 A CA 1.344 53.468 52.037 0.145 0.000 0.652 221 A CB -0.406 18.712 19.000 0.197 0.000 0.808 221 A HN 0.461 nan 8.150 nan 0.000 0.449 222 E N -0.701 119.539 120.200 0.066 0.000 2.482 222 E HA -0.054 4.311 4.350 0.026 0.000 0.196 222 E C 0.823 177.347 176.600 -0.127 0.000 1.047 222 E CA 0.460 56.841 56.400 -0.030 0.000 0.869 222 E CB -0.072 29.587 29.700 -0.068 0.000 0.836 222 E HN 0.692 nan 8.360 nan 0.000 0.520 223 H N 0.240 119.304 119.070 -0.010 0.000 2.520 223 H HA 0.212 4.783 4.556 0.026 0.000 0.284 223 H C -0.071 175.341 175.328 0.140 0.000 1.037 223 H CA 0.166 56.233 56.048 0.031 0.000 1.168 223 H CB 0.341 30.070 29.762 -0.054 0.000 1.497 223 H HN 0.006 nan 8.280 nan 0.000 0.547 224 K N 0.513 121.016 120.400 0.172 0.000 3.192 224 K HA -0.145 4.190 4.320 0.026 0.000 0.278 224 K C -0.763 175.947 176.600 0.183 0.000 1.164 224 K CA 0.195 56.576 56.287 0.158 0.000 0.816 224 K CB -1.435 31.130 32.500 0.109 0.000 1.256 224 K HN 0.235 nan 8.250 nan 0.000 0.497 225 L N 1.499 122.815 121.223 0.156 0.000 2.341 225 L HA 0.367 4.723 4.340 0.026 0.000 0.278 225 L C 0.148 177.066 176.870 0.081 0.000 1.005 225 L CA -0.942 53.943 54.840 0.075 0.000 0.818 225 L CB 1.542 43.657 42.059 0.093 0.000 1.259 225 L HN 0.027 nan 8.230 nan 0.000 0.418 226 Q N 2.723 122.516 119.800 -0.012 0.000 2.377 226 Q HA 0.546 4.901 4.340 0.026 0.000 0.271 226 Q C -1.205 174.750 176.000 -0.075 0.000 1.077 226 Q CA -0.628 55.209 55.803 0.057 0.000 0.820 226 Q CB 2.811 31.592 28.738 0.071 0.000 1.347 226 Q HN 0.299 nan 8.270 nan 0.000 0.444 227 F N 0.289 120.259 119.950 0.032 0.000 2.425 227 F HA 0.229 4.771 4.527 0.026 0.000 0.331 227 F C 0.941 176.812 175.800 0.118 0.000 1.085 227 F CA -0.666 57.373 58.000 0.064 0.000 1.028 227 F CB 1.018 40.026 39.000 0.013 0.000 1.177 227 F HN 0.733 nan 8.300 nan 0.000 0.487 228 W N 3.156 124.526 121.300 0.117 0.000 2.481 228 W HA 0.508 5.184 4.660 0.027 0.000 0.293 228 W C -0.331 176.236 176.519 0.079 0.000 1.201 228 W CA 0.880 58.261 57.345 0.060 0.000 1.328 228 W CB 0.002 29.470 29.460 0.013 0.000 1.112 228 W HN 0.431 nan 8.180 nan 0.000 0.546 229 A N 0.532 123.172 122.820 -0.301 0.000 2.594 229 A HA 0.574 4.910 4.320 0.026 0.000 0.295 229 A C -1.143 176.335 177.584 -0.176 0.000 1.071 229 A CA -0.209 51.471 52.037 -0.595 0.000 0.685 229 A CB 0.802 18.936 19.000 -1.442 0.000 1.285 229 A HN 0.542 nan 8.150 nan 0.000 0.405 230 V N -0.937 118.868 119.914 -0.182 0.000 3.019 230 V HA 0.976 5.112 4.120 0.026 0.000 0.317 230 V C 0.092 176.121 176.094 -0.109 0.000 1.094 230 V CA 0.138 62.392 62.300 -0.077 0.000 1.000 230 V CB 1.466 33.324 31.823 0.058 0.000 1.060 230 V HN 1.721 nan 8.190 nan 0.000 0.443 231 T N -0.811 113.722 114.554 -0.035 0.000 2.950 231 T HA 0.747 5.113 4.350 0.026 0.000 0.288 231 T C 0.985 175.678 174.700 -0.011 0.000 1.035 231 T CA -0.118 61.935 62.100 -0.078 0.000 1.028 231 T CB 1.661 70.469 68.868 -0.100 0.000 1.109 231 T HN 1.565 nan 8.240 nan 0.000 0.514 232 A N 0.364 123.122 122.820 -0.103 0.000 2.066 232 A HA 0.363 4.699 4.320 0.026 0.000 0.218 232 A C 0.797 178.394 177.584 0.021 0.000 1.157 232 A CA 1.396 53.367 52.037 -0.109 0.000 0.670 232 A CB -0.836 18.045 19.000 -0.198 0.000 0.804 232 A HN 1.120 nan 8.150 nan 0.000 0.453 233 E N -1.692 118.481 120.200 -0.046 0.000 3.745 233 E HA 0.060 4.425 4.350 0.026 0.000 0.349 233 E C -1.214 175.237 176.600 -0.248 0.000 1.106 233 E CA -0.182 56.183 56.400 -0.057 0.000 0.879 233 E CB -0.712 28.952 29.700 -0.061 0.000 1.186 233 E HN 0.237 nan 8.360 nan 0.000 0.519 234 N N 3.167 121.628 118.700 -0.399 0.000 2.483 234 N HA 0.185 4.940 4.740 0.026 0.000 0.264 234 N C -0.636 174.532 175.510 -0.569 0.000 1.197 234 N CA 0.740 53.373 53.050 -0.694 0.000 0.927 234 N CB 0.489 38.035 38.487 -1.568 0.000 1.065 234 N HN 0.652 nan 8.380 nan 0.000 0.461 235 E N 1.447 121.301 120.200 -0.576 0.000 2.197 235 E HA -0.194 4.171 4.350 0.026 0.000 0.184 235 E C -1.747 174.639 176.600 -0.357 0.000 1.439 235 E CA 0.178 56.289 56.400 -0.480 0.000 0.688 235 E CB -0.180 29.305 29.700 -0.357 0.000 1.090 235 E HN 0.641 nan 8.360 nan 0.000 0.341 236 P HA -0.240 nan 4.420 nan 0.000 0.218 236 P C 1.374 178.650 177.300 -0.041 0.000 1.149 236 P CA 1.790 64.861 63.100 -0.050 0.000 0.817 236 P CB 0.020 31.779 31.700 0.099 0.000 0.785 237 S N 0.431 116.052 115.700 -0.132 0.000 2.383 237 S HA -0.173 4.312 4.470 0.026 0.000 0.229 237 S C 2.223 176.707 174.600 -0.193 0.000 1.030 237 S CA 1.289 59.441 58.200 -0.080 0.000 1.002 237 S CB -1.566 61.561 63.200 -0.122 0.000 0.829 237 S HN 0.166 nan 8.310 nan 0.000 0.467 238 A N 2.235 124.844 122.820 -0.350 0.000 1.903 238 A HA 0.032 4.368 4.320 0.026 0.000 0.219 238 A C 2.359 179.562 177.584 -0.635 0.000 1.191 238 A CA 1.799 53.430 52.037 -0.676 0.000 0.638 238 A CB -1.835 16.553 19.000 -1.019 0.000 0.823 238 A HN 0.786 nan 8.150 nan 0.000 0.451 239 G N -1.181 107.379 108.800 -0.400 0.000 2.882 239 G HA2 0.212 4.188 3.960 0.026 0.000 0.206 239 G HA3 0.212 4.188 3.960 0.026 0.000 0.206 239 G C 0.967 175.770 174.900 -0.161 0.000 1.155 239 G CA 0.457 45.410 45.100 -0.245 0.000 0.800 239 G HN 0.457 nan 8.290 nan 0.000 0.524 240 L N -0.212 120.929 121.223 -0.137 0.000 2.667 240 L HA 0.401 4.757 4.340 0.026 0.000 0.232 240 L C 0.084 176.916 176.870 -0.063 0.000 1.138 240 L CA -0.053 54.742 54.840 -0.075 0.000 0.921 240 L CB 0.189 42.232 42.059 -0.027 0.000 1.180 240 L HN 0.066 nan 8.230 nan 0.000 0.487 241 L N -0.962 120.215 121.223 -0.076 0.000 2.322 241 L HA 0.378 4.733 4.340 0.026 0.000 0.281 241 L C 0.478 177.350 176.870 0.004 0.000 1.014 241 L CA -0.325 54.497 54.840 -0.029 0.000 0.815 241 L CB 1.855 43.905 42.059 -0.014 0.000 1.247 241 L HN -0.151 nan 8.230 nan 0.000 0.421 242 S N 1.580 117.279 115.700 -0.002 0.000 2.549 242 S HA 0.339 4.825 4.470 0.026 0.000 0.286 242 S C 1.173 175.775 174.600 0.004 0.000 1.314 242 S CA 0.720 58.917 58.200 -0.004 0.000 1.062 242 S CB 0.365 63.557 63.200 -0.013 0.000 0.865 242 S HN 1.035 nan 8.310 nan 0.000 0.498 243 G N 3.239 112.037 108.800 -0.003 0.000 2.155 243 G HA2 -0.308 3.667 3.960 0.026 0.000 0.257 243 G HA3 -0.308 3.667 3.960 0.026 0.000 0.257 243 G C 0.011 174.876 174.900 -0.059 0.000 0.983 243 G CA 0.428 45.509 45.100 -0.031 0.000 0.676 243 G HN 0.889 nan 8.290 nan 0.000 0.528 244 Y N 1.557 121.777 120.300 -0.134 0.000 2.805 244 Y HA 0.282 4.848 4.550 0.026 0.000 0.331 244 Y C -0.455 175.302 175.900 -0.239 0.000 1.241 244 Y CA -0.319 57.660 58.100 -0.203 0.000 1.546 244 Y CB 1.030 39.390 38.460 -0.167 0.000 1.248 244 Y HN 0.104 nan 8.280 nan 0.000 0.559 245 P HA 0.020 nan 4.420 nan 0.000 0.230 245 P C -0.793 176.216 177.300 -0.484 0.000 1.168 245 P CA 0.936 63.614 63.100 -0.702 0.000 0.793 245 P CB 0.229 31.447 31.700 -0.805 0.000 0.851 246 F N -1.361 118.461 119.950 -0.214 0.000 2.611 246 F HA 0.574 5.117 4.527 0.026 0.000 0.374 246 F C 0.609 176.652 175.800 0.405 0.000 1.110 246 F CA -1.885 56.226 58.000 0.185 0.000 1.090 246 F CB -0.252 38.876 39.000 0.213 0.000 1.388 246 F HN -0.475 nan 8.300 nan 0.000 0.501 247 Q N 0.768 120.973 119.800 0.676 0.000 2.330 247 Q HA 0.413 4.769 4.340 0.026 0.000 0.279 247 Q C -0.481 175.814 176.000 0.492 0.000 1.024 247 Q CA 0.121 56.187 55.803 0.438 0.000 0.900 247 Q CB 0.710 29.603 28.738 0.258 0.000 1.221 247 Q HN 0.781 nan 8.270 nan 0.000 0.396 248 C N 0.161 119.601 119.300 0.234 0.000 3.231 248 C HA 0.794 5.269 4.460 0.026 0.000 0.343 248 C C -1.913 173.042 174.990 -0.059 0.000 1.349 248 C CA -1.254 57.817 59.018 0.089 0.000 1.209 248 C CB 0.479 28.227 27.740 0.014 0.000 1.475 248 C HN 0.835 nan 8.230 nan 0.000 0.460 249 L N 2.007 123.156 121.223 -0.123 0.000 2.620 249 L HA 0.692 5.047 4.340 0.026 0.000 0.261 249 L C 0.318 177.055 176.870 -0.221 0.000 0.978 249 L CA 0.708 55.406 54.840 -0.238 0.000 0.897 249 L CB 1.045 42.954 42.059 -0.249 0.000 1.207 249 L HN 1.520 nan 8.230 nan 0.000 0.425 250 G N 3.228 111.854 108.800 -0.291 0.000 2.305 250 G HA2 0.351 4.326 3.960 0.026 0.000 0.243 250 G HA3 0.351 4.326 3.960 0.026 0.000 0.243 250 G C -0.940 173.702 174.900 -0.431 0.000 1.288 250 G CA 0.205 45.163 45.100 -0.236 0.000 0.901 250 G HN 0.402 nan 8.290 nan 0.000 0.516 251 F N 0.277 120.202 119.950 -0.042 0.000 2.556 251 F HA 0.419 4.962 4.527 0.026 0.000 0.314 251 F C 0.887 176.782 175.800 0.158 0.000 1.106 251 F CA -0.788 57.222 58.000 0.018 0.000 0.911 251 F CB 2.309 41.334 39.000 0.042 0.000 1.190 251 F HN 0.636 nan 8.300 nan 0.000 0.448 252 T N -0.434 114.278 114.554 0.262 0.000 2.849 252 T HA 0.276 4.641 4.350 0.026 0.000 0.284 252 T C -2.122 172.461 174.700 -0.194 0.000 1.004 252 T CA -1.815 60.337 62.100 0.087 0.000 1.021 252 T CB 1.382 70.264 68.868 0.024 0.000 1.013 252 T HN 0.261 nan 8.240 nan 0.000 0.527 253 P HA -0.078 nan 4.420 nan 0.000 0.217 253 P C 1.170 178.116 177.300 -0.589 0.000 1.148 253 P CA 1.025 63.272 63.100 -1.421 0.000 0.828 253 P CB 0.076 30.901 31.700 -1.458 0.000 0.783 254 E N -1.949 118.068 120.200 -0.304 0.000 2.047 254 E HA -0.181 4.184 4.350 0.026 0.000 0.191 254 E C 2.080 178.697 176.600 0.028 0.000 0.987 254 E CA 0.999 57.319 56.400 -0.133 0.000 0.799 254 E CB -0.983 28.661 29.700 -0.093 0.000 0.752 254 E HN 0.458 nan 8.360 nan 0.000 0.449 255 H N 0.022 119.095 119.070 0.004 0.000 2.319 255 H HA -0.183 4.388 4.556 0.026 0.000 0.299 255 H C 2.255 177.776 175.328 0.322 0.000 1.092 255 H CA 1.607 57.768 56.048 0.188 0.000 1.302 255 H CB 0.235 30.131 29.762 0.223 0.000 1.373 255 H HN 0.141 nan 8.280 nan 0.000 0.497 256 Q N 0.681 120.670 119.800 0.314 0.000 2.096 256 Q HA -0.218 4.138 4.340 0.026 0.000 0.204 256 Q C 2.560 178.610 176.000 0.082 0.000 0.982 256 Q CA 1.748 57.613 55.803 0.103 0.000 0.850 256 Q CB -0.108 28.651 28.738 0.035 0.000 0.901 256 Q HN 0.367 nan 8.270 nan 0.000 0.422 257 R N -0.076 120.425 120.500 0.002 0.000 2.083 257 R HA -0.176 4.179 4.340 0.026 0.000 0.237 257 R C 1.248 177.565 176.300 0.029 0.000 1.137 257 R CA 1.958 58.038 56.100 -0.033 0.000 0.951 257 R CB -0.156 30.090 30.300 -0.090 0.000 0.851 257 R HN 0.391 nan 8.270 nan 0.000 0.434 258 D N -0.263 120.199 120.400 0.104 0.000 2.194 258 D HA -0.131 4.525 4.640 0.026 0.000 0.204 258 D C 1.568 177.985 176.300 0.195 0.000 0.964 258 D CA 0.701 54.770 54.000 0.115 0.000 0.846 258 D CB -0.267 40.592 40.800 0.098 0.000 0.962 258 D HN 0.192 nan 8.370 nan 0.000 0.490 259 F N 1.620 121.673 119.950 0.172 0.000 2.171 259 F HA -0.077 4.466 4.527 0.026 0.000 0.300 259 F C 2.008 177.819 175.800 0.018 0.000 1.090 259 F CA 0.887 59.010 58.000 0.204 0.000 1.293 259 F CB -0.371 38.831 39.000 0.338 0.000 1.013 259 F HN -0.153 nan 8.300 nan 0.000 0.486 260 I N -0.051 120.352 120.570 -0.278 0.000 2.286 260 I HA -0.190 3.996 4.170 0.026 0.000 0.245 260 I C 2.678 178.590 176.117 -0.342 0.000 1.104 260 I CA 1.051 62.070 61.300 -0.469 0.000 1.397 260 I CB -0.893 36.949 38.000 -0.263 0.000 1.072 260 I HN 0.184 nan 8.210 nan 0.000 0.417 261 A N 0.802 123.556 122.820 -0.110 0.000 1.845 261 A HA -0.159 4.176 4.320 0.026 0.000 0.215 261 A C 2.349 179.912 177.584 -0.036 0.000 1.195 261 A CA 1.452 53.499 52.037 0.017 0.000 0.616 261 A CB -0.416 18.606 19.000 0.036 0.000 0.832 261 A HN 0.243 nan 8.150 nan 0.000 0.443 262 R N -1.035 119.440 120.500 -0.040 0.000 2.246 262 R HA 0.067 4.423 4.340 0.026 0.000 0.199 262 R C 0.315 176.591 176.300 -0.040 0.000 0.984 262 R CA 1.101 57.195 56.100 -0.011 0.000 1.015 262 R CB -0.002 30.316 30.300 0.030 0.000 0.930 262 R HN 0.609 nan 8.270 nan 0.000 0.475 263 D N -1.035 119.276 120.400 -0.149 0.000 3.018 263 D HA -0.034 4.622 4.640 0.026 0.000 0.198 263 D C 1.509 177.570 176.300 -0.398 0.000 1.474 263 D CA -0.159 53.757 54.000 -0.140 0.000 1.429 263 D CB -0.247 40.641 40.800 0.147 0.000 1.289 263 D HN -0.067 nan 8.370 nan 0.000 0.310 264 L N 2.048 122.783 121.223 -0.813 0.000 2.072 264 L HA 0.158 4.514 4.340 0.026 0.000 0.205 264 L C 2.113 178.526 176.870 -0.762 0.000 1.079 264 L CA 2.204 56.500 54.840 -0.906 0.000 0.752 264 L CB -0.822 40.372 42.059 -1.442 0.000 0.906 264 L HN 0.129 nan 8.230 nan 0.000 0.436 265 G N 0.075 108.319 108.800 -0.927 0.000 2.545 265 G HA2 -0.240 3.735 3.960 0.026 0.000 0.217 265 G HA3 -0.240 3.735 3.960 0.026 0.000 0.217 265 G C -0.661 173.557 174.900 -1.138 0.000 1.218 265 G CA 1.079 45.273 45.100 -1.510 0.000 0.787 265 G HN 0.376 nan 8.290 nan 0.000 0.571 266 P HA 0.001 nan 4.420 nan 0.000 0.216 266 P C 2.044 179.226 177.300 -0.196 0.000 1.153 266 P CA 1.764 64.682 63.100 -0.303 0.000 0.848 266 P CB -0.261 31.345 31.700 -0.156 0.000 0.787 267 T N 0.040 114.463 114.554 -0.218 0.000 2.746 267 T HA -0.108 4.257 4.350 0.026 0.000 0.267 267 T C 1.789 176.428 174.700 -0.102 0.000 1.039 267 T CA 1.066 63.094 62.100 -0.119 0.000 1.142 267 T CB -0.977 67.837 68.868 -0.090 0.000 0.866 267 T HN 0.050 nan 8.240 nan 0.000 0.444 268 L N 0.688 121.805 121.223 -0.177 0.000 2.017 268 L HA -0.133 4.222 4.340 0.026 0.000 0.208 268 L C 3.103 179.968 176.870 -0.008 0.000 1.073 268 L CA 1.369 56.149 54.840 -0.100 0.000 0.745 268 L CB -0.752 41.200 42.059 -0.177 0.000 0.894 268 L HN 0.275 nan 8.230 nan 0.000 0.432 269 A N 0.277 123.079 122.820 -0.030 0.000 1.877 269 A HA -0.273 4.062 4.320 0.026 0.000 0.216 269 A C 2.012 179.610 177.584 0.023 0.000 1.186 269 A CA 2.203 54.268 52.037 0.046 0.000 0.620 269 A CB -0.752 18.296 19.000 0.081 0.000 0.822 269 A HN 0.477 nan 8.150 nan 0.000 0.443 270 N N 0.130 118.829 118.700 -0.001 0.000 2.520 270 N HA -0.060 4.695 4.740 0.026 0.000 0.185 270 N C 0.803 176.321 175.510 0.013 0.000 1.068 270 N CA 1.007 54.054 53.050 -0.005 0.000 0.911 270 N CB -0.301 38.181 38.487 -0.009 0.000 0.961 270 N HN 0.545 nan 8.380 nan 0.000 0.446 271 S N -2.048 113.678 115.700 0.043 0.000 2.713 271 S HA 0.181 4.667 4.470 0.026 0.000 0.283 271 S C 1.351 175.993 174.600 0.069 0.000 1.161 271 S CA -0.082 58.148 58.200 0.050 0.000 0.999 271 S CB 0.974 64.226 63.200 0.087 0.000 1.039 271 S HN 0.274 nan 8.310 nan 0.000 0.548 272 T N -1.436 113.073 114.554 -0.075 0.000 3.113 272 T HA -0.017 4.349 4.350 0.026 0.000 0.263 272 T C 0.582 175.086 174.700 -0.327 0.000 1.143 272 T CA 0.676 62.682 62.100 -0.158 0.000 1.090 272 T CB -0.765 67.927 68.868 -0.293 0.000 0.922 272 T HN 0.772 nan 8.240 nan 0.000 0.521 273 H N 0.915 119.982 119.070 -0.005 0.000 2.550 273 H HA 0.197 4.768 4.556 0.026 0.000 0.304 273 H C 1.294 176.553 175.328 -0.116 0.000 1.086 273 H CA 0.292 56.289 56.048 -0.086 0.000 1.089 273 H CB -0.419 29.326 29.762 -0.028 0.000 1.528 273 H HN 0.821 nan 8.280 nan 0.000 0.539 274 H N -0.594 118.501 119.070 0.041 0.000 2.457 274 H HA -0.079 4.493 4.556 0.026 0.000 0.297 274 H C 1.320 176.653 175.328 0.009 0.000 1.092 274 H CA 1.046 57.103 56.048 0.015 0.000 1.309 274 H CB 0.028 29.790 29.762 -0.000 0.000 1.382 274 H HN 0.072 nan 8.280 nan 0.000 0.535 275 N N 0.948 119.453 118.700 -0.325 0.000 2.381 275 N HA -0.048 4.708 4.740 0.026 0.000 0.182 275 N C -0.041 175.419 175.510 -0.083 0.000 1.025 275 N CA 0.566 53.523 53.050 -0.155 0.000 0.888 275 N CB -0.087 38.291 38.487 -0.182 0.000 0.965 275 N HN 0.213 nan 8.380 nan 0.000 0.438 276 V N 3.031 122.908 119.914 -0.061 0.000 2.585 276 V HA 0.010 4.145 4.120 0.026 0.000 0.296 276 V C 0.922 176.929 176.094 -0.145 0.000 1.035 276 V CA -0.108 62.149 62.300 -0.071 0.000 1.084 276 V CB 0.530 32.346 31.823 -0.012 0.000 0.953 276 V HN 0.129 nan 8.190 nan 0.000 0.483 277 R N 3.132 123.467 120.500 -0.274 0.000 2.546 277 R HA 0.648 5.003 4.340 0.026 0.000 0.266 277 R C -0.590 175.548 176.300 -0.270 0.000 1.086 277 R CA -0.832 55.093 56.100 -0.291 0.000 1.160 277 R CB 1.024 31.070 30.300 -0.423 0.000 1.138 277 R HN 0.535 nan 8.270 nan 0.000 0.567 278 L N 0.949 122.061 121.223 -0.185 0.000 2.408 278 L HA 0.504 4.860 4.340 0.026 0.000 0.268 278 L C -1.453 175.308 176.870 -0.181 0.000 0.986 278 L CA -0.373 54.347 54.840 -0.200 0.000 0.820 278 L CB 1.596 43.539 42.059 -0.193 0.000 1.303 278 L HN 0.414 nan 8.230 nan 0.000 0.411 279 L N 4.991 126.086 121.223 -0.212 0.000 2.346 279 L HA 0.665 5.020 4.340 0.026 0.000 0.274 279 L C -0.010 176.764 176.870 -0.160 0.000 1.007 279 L CA -0.855 53.873 54.840 -0.187 0.000 0.818 279 L CB 1.823 43.752 42.059 -0.217 0.000 1.284 279 L HN 0.810 nan 8.230 nan 0.000 0.424 280 M N 1.331 120.851 119.600 -0.134 0.000 2.649 280 M HA 0.622 5.118 4.480 0.026 0.000 0.294 280 M C 0.476 176.685 176.300 -0.151 0.000 1.206 280 M CA -0.364 54.867 55.300 -0.115 0.000 0.928 280 M CB 1.687 34.251 32.600 -0.060 0.000 1.571 280 M HN 0.506 nan 8.290 nan 0.000 0.501 281 L N 0.024 121.128 121.223 -0.198 0.000 3.782 281 L HA -0.345 4.011 4.340 0.026 0.000 0.053 281 L C 0.284 176.849 176.870 -0.509 0.000 4.256 281 L CA 2.892 57.452 54.840 -0.467 0.000 0.725 281 L CB -1.764 40.073 42.059 -0.370 0.000 3.466 281 L HN 1.157 nan 8.230 nan 0.000 0.901 282 D N 0.814 120.985 120.400 -0.382 0.000 2.697 282 D HA -0.115 4.541 4.640 0.026 0.000 0.238 282 D C -0.415 175.344 176.300 -0.901 0.000 1.152 282 D CA 1.480 55.210 54.000 -0.450 0.000 0.666 282 D CB -0.770 39.819 40.800 -0.352 0.000 1.037 282 D HN 0.676 nan 8.370 nan 0.000 0.423 283 D N -0.615 119.298 120.400 -0.811 0.000 2.665 283 D HA 0.124 4.780 4.640 0.026 0.000 0.287 283 D C -0.457 175.579 176.300 -0.441 0.000 1.266 283 D CA -0.428 53.090 54.000 -0.803 0.000 0.830 283 D CB 0.759 41.119 40.800 -0.732 0.000 1.356 283 D HN -0.142 nan 8.370 nan 0.000 0.437 284 Q N 0.825 120.453 119.800 -0.287 0.000 2.485 284 Q HA -0.094 4.262 4.340 0.026 0.000 0.348 284 Q C 1.162 177.101 176.000 -0.102 0.000 1.097 284 Q CA 0.662 56.419 55.803 -0.076 0.000 1.079 284 Q CB 0.127 28.813 28.738 -0.087 0.000 1.108 284 Q HN 0.516 nan 8.270 nan 0.000 0.400 285 R N 1.973 122.445 120.500 -0.047 0.000 2.280 285 R HA -0.047 4.308 4.340 0.026 0.000 0.207 285 R C 1.446 177.670 176.300 -0.127 0.000 1.043 285 R CA 0.498 56.518 56.100 -0.133 0.000 1.006 285 R CB -0.200 29.981 30.300 -0.199 0.000 0.885 285 R HN 0.419 nan 8.270 nan 0.000 0.467 286 L N 1.199 122.367 121.223 -0.092 0.000 2.265 286 L HA -0.059 4.297 4.340 0.026 0.000 0.215 286 L C 1.968 178.832 176.870 -0.010 0.000 1.117 286 L CA 1.134 55.942 54.840 -0.053 0.000 0.782 286 L CB -0.101 41.949 42.059 -0.015 0.000 0.914 286 L HN 0.242 nan 8.230 nan 0.000 0.441 287 L N -0.814 120.389 121.223 -0.033 0.000 2.633 287 L HA -0.089 4.266 4.340 0.026 0.000 0.235 287 L C 0.514 177.473 176.870 0.148 0.000 1.163 287 L CA 0.241 55.114 54.840 0.054 0.000 0.859 287 L CB -0.439 41.507 42.059 -0.189 0.000 0.973 287 L HN 0.154 nan 8.230 nan 0.000 0.451 288 L N 0.577 121.835 121.223 0.058 0.000 2.343 288 L HA 0.253 4.608 4.340 0.026 0.000 0.275 288 L C -1.297 175.622 176.870 0.081 0.000 1.056 288 L CA -1.547 53.344 54.840 0.086 0.000 0.804 288 L CB 1.156 43.229 42.059 0.023 0.000 1.203 288 L HN -0.194 nan 8.230 nan 0.000 0.440 289 P HA -0.044 nan 4.420 nan 0.000 0.251 289 P C 1.015 178.448 177.300 0.223 0.000 1.223 289 P CA 0.582 63.777 63.100 0.158 0.000 0.796 289 P CB 0.127 31.906 31.700 0.132 0.000 1.068 290 H N -0.695 118.451 119.070 0.128 0.000 2.353 290 H HA -0.166 4.405 4.556 0.026 0.000 0.298 290 H C 1.579 176.983 175.328 0.126 0.000 1.103 290 H CA 1.994 58.110 56.048 0.113 0.000 1.293 290 H CB -0.905 28.911 29.762 0.090 0.000 1.372 290 H HN 0.032 nan 8.280 nan 0.000 0.501 291 W N 0.484 121.722 121.300 -0.104 0.000 2.338 291 W HA -0.140 4.535 4.660 0.026 0.000 0.304 291 W C 2.880 179.290 176.519 -0.181 0.000 1.212 291 W CA 2.420 59.657 57.345 -0.182 0.000 1.264 291 W CB -0.673 28.726 29.460 -0.101 0.000 1.142 291 W HN 0.364 nan 8.180 nan 0.000 0.512 292 A N -0.303 122.593 122.820 0.126 0.000 1.930 292 A HA -0.179 4.157 4.320 0.026 0.000 0.217 292 A C 1.904 179.416 177.584 -0.120 0.000 1.175 292 A CA 1.735 53.749 52.037 -0.038 0.000 0.627 292 A CB -0.630 18.403 19.000 0.054 0.000 0.815 292 A HN 0.262 nan 8.150 nan 0.000 0.443 293 K N -0.383 120.070 120.400 0.089 0.000 1.987 293 K HA -0.147 4.188 4.320 0.026 0.000 0.216 293 K C 1.921 178.489 176.600 -0.054 0.000 1.051 293 K CA 1.848 58.223 56.287 0.147 0.000 0.942 293 K CB -0.602 31.974 32.500 0.127 0.000 0.722 293 K HN 0.261 nan 8.250 nan 0.000 0.444 294 V N 0.941 120.726 119.914 -0.215 0.000 2.250 294 V HA -0.288 3.847 4.120 0.026 0.000 0.250 294 V C 2.296 178.261 176.094 -0.215 0.000 1.060 294 V CA 1.948 64.085 62.300 -0.272 0.000 1.030 294 V CB -0.521 31.009 31.823 -0.488 0.000 0.643 294 V HN 0.157 nan 8.190 nan 0.000 0.445 295 V N -0.881 118.895 119.914 -0.230 0.000 2.323 295 V HA -0.142 3.993 4.120 0.026 0.000 0.244 295 V C 2.174 178.147 176.094 -0.202 0.000 1.041 295 V CA 1.744 63.929 62.300 -0.192 0.000 1.025 295 V CB -0.348 31.384 31.823 -0.150 0.000 0.656 295 V HN 0.416 nan 8.190 nan 0.000 0.451 296 L N 0.464 121.499 121.223 -0.314 0.000 2.209 296 L HA -0.059 4.296 4.340 0.026 0.000 0.207 296 L C 2.579 179.326 176.870 -0.204 0.000 1.094 296 L CA 1.636 56.226 54.840 -0.418 0.000 0.790 296 L CB -0.725 40.708 42.059 -1.043 0.000 0.932 296 L HN 0.548 nan 8.230 nan 0.000 0.447 297 T N -3.398 111.110 114.554 -0.076 0.000 3.228 297 T HA -0.128 4.238 4.350 0.026 0.000 0.261 297 T C 0.541 175.232 174.700 -0.016 0.000 1.171 297 T CA 0.144 62.265 62.100 0.036 0.000 1.056 297 T CB -0.500 68.416 68.868 0.081 0.000 0.938 297 T HN 0.095 nan 8.240 nan 0.000 0.539 298 D N 1.969 122.335 120.400 -0.056 0.000 2.454 298 D HA 0.263 4.918 4.640 0.026 0.000 0.225 298 D C -1.485 174.780 176.300 -0.059 0.000 1.081 298 D CA -2.769 51.201 54.000 -0.051 0.000 0.864 298 D CB 1.949 42.716 40.800 -0.056 0.000 1.040 298 D HN -0.002 nan 8.370 nan 0.000 0.517 299 P HA -0.206 nan 4.420 nan 0.000 0.217 299 P C 0.948 178.189 177.300 -0.097 0.000 1.148 299 P CA 1.013 64.071 63.100 -0.070 0.000 0.834 299 P CB 0.565 32.232 31.700 -0.056 0.000 0.783 300 E N -0.119 120.040 120.200 -0.068 0.000 2.077 300 E HA -0.126 4.239 4.350 0.026 0.000 0.193 300 E C 2.169 178.766 176.600 -0.004 0.000 0.989 300 E CA 1.535 57.905 56.400 -0.049 0.000 0.800 300 E CB -0.904 28.794 29.700 -0.004 0.000 0.746 300 E HN 0.259 nan 8.360 nan 0.000 0.452 301 A N 1.438 124.259 122.820 0.000 0.000 1.874 301 A HA 0.067 4.402 4.320 0.026 0.000 0.214 301 A C 2.447 180.023 177.584 -0.013 0.000 1.189 301 A CA 1.751 53.809 52.037 0.035 0.000 0.615 301 A CB -0.665 18.316 19.000 -0.032 0.000 0.830 301 A HN 0.250 nan 8.150 nan 0.000 0.443 302 A N 1.368 124.133 122.820 -0.091 0.000 1.917 302 A HA -0.255 4.080 4.320 0.026 0.000 0.219 302 A C 2.030 179.527 177.584 -0.145 0.000 1.182 302 A CA 2.250 54.216 52.037 -0.118 0.000 0.633 302 A CB -0.730 18.198 19.000 -0.120 0.000 0.819 302 A HN 0.716 nan 8.150 nan 0.000 0.448 303 K N -1.764 118.481 120.400 -0.259 0.000 2.362 303 K HA -0.177 4.158 4.320 0.026 0.000 0.202 303 K C 1.527 177.911 176.600 -0.361 0.000 1.045 303 K CA 1.889 57.957 56.287 -0.365 0.000 0.936 303 K CB -0.497 31.683 32.500 -0.534 0.000 0.747 303 K HN 0.673 nan 8.250 nan 0.000 0.467 304 Y N 1.102 121.349 120.300 -0.089 0.000 2.479 304 Y HA 0.117 4.682 4.550 0.026 0.000 0.283 304 Y C 0.740 176.572 175.900 -0.113 0.000 1.109 304 Y CA -0.742 57.292 58.100 -0.111 0.000 1.239 304 Y CB 0.808 39.179 38.460 -0.149 0.000 1.108 304 Y HN -0.226 nan 8.280 nan 0.000 0.548 305 V N 1.783 121.723 119.914 0.043 0.000 2.446 305 V HA -0.106 4.030 4.120 0.026 0.000 0.276 305 V C 0.931 177.039 176.094 0.024 0.000 1.030 305 V CA 0.273 62.562 62.300 -0.017 0.000 1.033 305 V CB 0.622 32.400 31.823 -0.074 0.000 0.993 305 V HN 0.369 nan 8.190 nan 0.000 0.477 306 H N 3.855 122.869 119.070 -0.094 0.000 2.482 306 H HA 0.309 4.881 4.556 0.026 0.000 0.286 306 H C 0.724 176.026 175.328 -0.045 0.000 1.017 306 H CA 0.735 56.738 56.048 -0.074 0.000 1.322 306 H CB 0.429 30.119 29.762 -0.119 0.000 1.426 306 H HN 0.761 nan 8.280 nan 0.000 0.546 307 G N -0.894 107.773 108.800 -0.223 0.000 2.506 307 G HA2 0.410 4.385 3.960 0.026 0.000 0.292 307 G HA3 0.410 4.385 3.960 0.026 0.000 0.292 307 G C -1.636 173.187 174.900 -0.129 0.000 1.425 307 G CA -0.648 44.307 45.100 -0.240 0.000 0.788 307 G HN 0.126 nan 8.290 nan 0.000 0.490 308 I N 0.915 121.449 120.570 -0.060 0.000 2.404 308 I HA 0.616 4.801 4.170 0.026 0.000 0.293 308 I C 0.511 176.635 176.117 0.012 0.000 0.992 308 I CA -0.802 60.474 61.300 -0.041 0.000 1.149 308 I CB 2.068 40.056 38.000 -0.019 0.000 1.315 308 I HN 0.672 nan 8.210 nan 0.000 0.446 309 A N 6.525 129.333 122.820 -0.019 0.000 2.292 309 A HA 0.818 5.154 4.320 0.026 0.000 0.319 309 A C -0.363 177.213 177.584 -0.012 0.000 1.206 309 A CA -0.491 51.584 52.037 0.064 0.000 0.835 309 A CB 1.127 20.154 19.000 0.047 0.000 1.164 309 A HN 0.625 nan 8.150 nan 0.000 0.505 310 V N 0.297 120.232 119.914 0.035 0.000 3.126 310 V HA 0.741 4.877 4.120 0.026 0.000 0.314 310 V C -0.534 175.637 176.094 0.129 0.000 1.138 310 V CA -0.744 61.551 62.300 -0.008 0.000 1.034 310 V CB 1.589 33.380 31.823 -0.053 0.000 1.075 310 V HN 0.947 nan 8.190 nan 0.000 0.442 311 H N 0.677 119.677 119.070 -0.118 0.000 2.821 311 H HA 0.504 5.075 4.556 0.026 0.000 0.373 311 H C -1.803 173.609 175.328 0.140 0.000 1.165 311 H CA -0.539 55.458 56.048 -0.085 0.000 1.154 311 H CB 2.557 32.261 29.762 -0.096 0.000 1.765 311 H HN 0.854 nan 8.280 nan 0.000 0.549 312 W N 3.140 124.419 121.300 -0.035 0.000 3.127 312 W HA 0.285 4.960 4.660 0.025 0.000 0.330 312 W C -1.745 174.938 176.519 0.273 0.000 1.187 312 W CA -0.704 56.677 57.345 0.060 0.000 1.198 312 W CB 1.955 31.432 29.460 0.027 0.000 1.408 312 W HN 0.617 nan 8.180 nan 0.000 0.529 313 Y N 5.504 125.333 120.300 -0.785 0.000 2.350 313 Y HA 0.060 4.626 4.550 0.025 0.000 0.340 313 Y C 1.057 176.627 175.900 -0.550 0.000 1.006 313 Y CA -1.080 56.709 58.100 -0.518 0.000 1.166 313 Y CB 1.189 39.477 38.460 -0.287 0.000 1.168 313 Y HN 0.196 nan 8.280 nan 0.000 0.502 314 L N 2.813 124.045 121.223 0.015 0.000 2.313 314 L HA -0.068 4.287 4.340 0.026 0.000 0.214 314 L C 1.209 178.164 176.870 0.141 0.000 1.119 314 L CA 1.197 56.127 54.840 0.150 0.000 0.809 314 L CB -1.076 41.081 42.059 0.163 0.000 0.933 314 L HN 0.712 nan 8.230 nan 0.000 0.449 315 D N -0.665 119.748 120.400 0.021 0.000 2.149 315 D HA -0.200 4.455 4.640 0.026 0.000 0.198 315 D C 0.909 177.124 176.300 -0.142 0.000 0.990 315 D CA 1.066 54.989 54.000 -0.127 0.000 0.839 315 D CB -0.187 40.409 40.800 -0.339 0.000 0.948 315 D HN 0.161 nan 8.370 nan 0.000 0.460 316 F N -0.223 119.748 119.950 0.035 0.000 2.234 316 F HA 0.492 5.034 4.527 0.026 0.000 0.292 316 F C 0.342 176.424 175.800 0.471 0.000 1.187 316 F CA -0.743 57.332 58.000 0.126 0.000 1.128 316 F CB 0.418 39.337 39.000 -0.135 0.000 1.507 316 F HN -0.273 nan 8.300 nan 0.000 0.512 317 L N 0.349 122.096 121.223 0.873 0.000 2.493 317 L HA 0.651 5.006 4.340 0.026 0.000 0.265 317 L C -0.872 176.263 176.870 0.442 0.000 0.954 317 L CA -0.621 54.606 54.840 0.645 0.000 0.844 317 L CB 1.901 44.175 42.059 0.359 0.000 1.302 317 L HN 0.700 nan 8.230 nan 0.000 0.405 318 A N 3.051 125.824 122.820 -0.077 0.000 2.346 318 A HA 0.932 5.268 4.320 0.026 0.000 0.313 318 A C -1.986 175.468 177.584 -0.218 0.000 1.140 318 A CA -1.090 50.757 52.037 -0.317 0.000 0.826 318 A CB 0.925 19.391 19.000 -0.889 0.000 1.332 318 A HN 0.599 nan 8.150 nan 0.000 0.457 319 P HA 0.129 nan 4.420 nan 0.000 0.217 319 P C 0.912 178.064 177.300 -0.247 0.000 1.154 319 P CA 2.155 65.167 63.100 -0.146 0.000 0.841 319 P CB 0.281 31.917 31.700 -0.106 0.000 0.788 320 A N -0.266 122.339 122.820 -0.358 0.000 1.760 320 A HA -0.325 4.011 4.320 0.026 0.000 0.219 320 A C 1.830 178.951 177.584 -0.772 0.000 0.582 320 A CA 1.953 53.663 52.037 -0.545 0.000 1.165 320 A CB -2.423 16.243 19.000 -0.558 0.000 1.428 320 A HN 0.365 nan 8.150 nan 0.000 0.712 321 K N 0.875 120.824 120.400 -0.752 0.000 2.026 321 K HA 0.209 4.544 4.320 0.026 0.000 0.208 321 K C 2.013 178.479 176.600 -0.223 0.000 1.048 321 K CA 2.718 58.697 56.287 -0.513 0.000 0.929 321 K CB -0.584 31.843 32.500 -0.122 0.000 0.713 321 K HN 1.353 nan 8.250 nan 0.000 0.439 322 A N -0.017 122.701 122.820 -0.171 0.000 2.067 322 A HA -0.079 4.256 4.320 0.026 0.000 0.219 322 A C 2.014 179.542 177.584 -0.092 0.000 1.158 322 A CA 1.894 53.874 52.037 -0.095 0.000 0.661 322 A CB -0.823 18.131 19.000 -0.075 0.000 0.801 322 A HN 0.718 nan 8.150 nan 0.000 0.452 323 T N -2.760 111.703 114.554 -0.151 0.000 3.480 323 T HA 0.192 4.558 4.350 0.026 0.000 0.229 323 T C 1.759 176.409 174.700 -0.083 0.000 0.944 323 T CA 0.543 62.574 62.100 -0.114 0.000 1.388 323 T CB -0.754 68.013 68.868 -0.169 0.000 1.180 323 T HN 0.112 nan 8.240 nan 0.000 0.414 324 L N 1.529 122.669 121.223 -0.138 0.000 2.127 324 L HA 0.086 4.441 4.340 0.026 0.000 0.211 324 L C 3.004 179.924 176.870 0.084 0.000 1.089 324 L CA 1.552 56.374 54.840 -0.030 0.000 0.757 324 L CB -1.088 40.937 42.059 -0.056 0.000 0.899 324 L HN 0.607 nan 8.230 nan 0.000 0.434 325 G N -0.477 108.324 108.800 0.002 0.000 2.454 325 G HA2 -0.260 3.715 3.960 0.026 0.000 0.214 325 G HA3 -0.260 3.715 3.960 0.026 0.000 0.214 325 G C 1.412 176.383 174.900 0.118 0.000 1.217 325 G CA 0.451 45.664 45.100 0.189 0.000 0.799 325 G HN 0.218 nan 8.290 nan 0.000 0.538 326 E N 0.605 120.831 120.200 0.042 0.000 2.147 326 E HA -0.126 4.239 4.350 0.026 0.000 0.199 326 E C 2.654 179.260 176.600 0.009 0.000 1.005 326 E CA 1.703 58.112 56.400 0.016 0.000 0.810 326 E CB -0.793 28.909 29.700 0.003 0.000 0.736 326 E HN 0.367 nan 8.360 nan 0.000 0.460 327 T N -0.246 114.343 114.554 0.059 0.000 2.777 327 T HA -0.152 4.214 4.350 0.026 0.000 0.266 327 T C 1.703 176.464 174.700 0.102 0.000 1.040 327 T CA 1.283 63.455 62.100 0.120 0.000 1.141 327 T CB -0.486 68.471 68.868 0.148 0.000 0.868 327 T HN 0.402 nan 8.240 nan 0.000 0.444 328 H N 1.467 120.520 119.070 -0.028 0.000 2.290 328 H HA -0.048 4.524 4.556 0.026 0.000 0.298 328 H C 2.676 177.912 175.328 -0.153 0.000 1.087 328 H CA 1.725 57.692 56.048 -0.135 0.000 1.291 328 H CB -0.076 29.401 29.762 -0.474 0.000 1.369 328 H HN 0.199 nan 8.280 nan 0.000 0.492 329 R N 0.156 120.536 120.500 -0.201 0.000 2.112 329 R HA -0.180 4.176 4.340 0.026 0.000 0.242 329 R C 2.758 178.863 176.300 -0.324 0.000 1.137 329 R CA 2.083 58.047 56.100 -0.226 0.000 0.944 329 R CB -0.221 30.015 30.300 -0.105 0.000 0.857 329 R HN 0.322 nan 8.270 nan 0.000 0.435 330 L N -1.148 119.837 121.223 -0.396 0.000 2.156 330 L HA -0.049 4.307 4.340 0.026 0.000 0.208 330 L C 0.527 176.757 176.870 -1.066 0.000 1.095 330 L CA 0.899 55.267 54.840 -0.787 0.000 0.770 330 L CB 0.087 41.541 42.059 -1.007 0.000 0.914 330 L HN 0.108 nan 8.230 nan 0.000 0.439 331 F N -0.690 119.187 119.950 -0.122 0.000 2.564 331 F HA 0.300 4.843 4.527 0.026 0.000 0.329 331 F C -1.705 174.002 175.800 -0.155 0.000 1.458 331 F CA -1.474 56.463 58.000 -0.106 0.000 1.117 331 F CB 0.354 39.322 39.000 -0.053 0.000 1.383 331 F HN -0.156 nan 8.300 nan 0.000 0.571 332 P HA -0.069 nan 4.420 nan 0.000 0.239 332 P C 0.214 177.487 177.300 -0.045 0.000 1.184 332 P CA 1.056 63.929 63.100 -0.377 0.000 0.760 332 P CB 0.352 31.786 31.700 -0.443 0.000 0.884 333 N N -0.824 117.901 118.700 0.042 0.000 2.200 333 N HA 0.071 4.826 4.740 0.026 0.000 0.224 333 N C -0.339 175.226 175.510 0.092 0.000 1.179 333 N CA 0.284 53.382 53.050 0.080 0.000 0.877 333 N CB 0.827 39.352 38.487 0.064 0.000 1.072 333 N HN 0.030 nan 8.380 nan 0.000 0.519 334 T N 2.067 116.678 114.554 0.096 0.000 2.809 334 T HA 0.325 4.690 4.350 0.026 0.000 0.296 334 T C 0.443 175.177 174.700 0.056 0.000 1.015 334 T CA -0.724 61.401 62.100 0.043 0.000 0.954 334 T CB 0.940 69.812 68.868 0.007 0.000 0.950 334 T HN 0.068 nan 8.240 nan 0.000 0.450 335 M N 3.352 122.947 119.600 -0.008 0.000 2.246 335 M HA 0.366 4.862 4.480 0.026 0.000 0.350 335 M C -0.551 175.794 176.300 0.075 0.000 1.406 335 M CA 0.019 55.350 55.300 0.051 0.000 1.089 335 M CB -0.498 32.109 32.600 0.012 0.000 1.782 335 M HN 0.360 nan 8.290 nan 0.000 0.457 336 L N 4.456 125.761 121.223 0.137 0.000 2.426 336 L HA 0.471 4.826 4.340 0.026 0.000 0.271 336 L C -0.639 176.344 176.870 0.188 0.000 1.169 336 L CA 0.234 55.155 54.840 0.136 0.000 0.836 336 L CB 0.315 42.451 42.059 0.129 0.000 1.112 336 L HN 0.817 nan 8.230 nan 0.000 0.465 337 F N 2.347 122.292 119.950 -0.009 0.000 2.596 337 F HA 0.640 5.183 4.527 0.027 0.000 0.311 337 F C -0.598 175.159 175.800 -0.072 0.000 1.116 337 F CA -0.723 57.267 58.000 -0.017 0.000 0.957 337 F CB 1.386 40.405 39.000 0.032 0.000 1.250 337 F HN 0.394 nan 8.300 nan 0.000 0.444 338 A N 3.167 125.437 122.820 -0.916 0.000 2.260 338 A HA 0.494 4.830 4.320 0.026 0.000 0.312 338 A C 0.291 177.435 177.584 -0.732 0.000 1.321 338 A CA 0.179 51.800 52.037 -0.692 0.000 0.928 338 A CB 0.271 18.785 19.000 -0.810 0.000 1.158 338 A HN 0.989 nan 8.150 nan 0.000 0.542 339 S N 1.219 116.798 115.700 -0.201 0.000 2.524 339 S HA 0.271 4.757 4.470 0.026 0.000 0.215 339 S C 0.251 174.693 174.600 -0.264 0.000 0.986 339 S CA 0.344 58.600 58.200 0.092 0.000 0.911 339 S CB 0.010 63.388 63.200 0.297 0.000 0.805 339 S HN 0.830 nan 8.310 nan 0.000 0.501 340 E N -0.321 119.515 120.200 -0.606 0.000 2.381 340 E HA 0.616 4.982 4.350 0.026 0.000 0.286 340 E C -1.854 174.279 176.600 -0.778 0.000 0.960 340 E CA -0.563 55.349 56.400 -0.812 0.000 0.793 340 E CB 1.562 30.422 29.700 -1.400 0.000 1.225 340 E HN 0.320 nan 8.360 nan 0.000 0.420 341 A N 2.143 124.569 122.820 -0.658 0.000 2.515 341 A HA 0.903 5.239 4.320 0.026 0.000 0.298 341 A C -1.045 176.417 177.584 -0.204 0.000 1.059 341 A CA -0.234 51.489 52.037 -0.524 0.000 0.698 341 A CB 1.003 19.385 19.000 -1.030 0.000 1.289 341 A HN 1.213 nan 8.150 nan 0.000 0.404 342 C N -0.158 119.084 119.300 -0.097 0.000 3.275 342 C HA 0.756 5.231 4.460 0.026 0.000 0.345 342 C C -0.733 174.293 174.990 0.060 0.000 1.257 342 C CA -0.213 58.857 59.018 0.087 0.000 1.203 342 C CB 0.531 28.418 27.740 0.244 0.000 1.492 342 C HN 2.049 nan 8.230 nan 0.000 0.484 343 V N 1.558 121.578 119.914 0.176 0.000 2.481 343 V HA 0.901 5.037 4.120 0.026 0.000 0.286 343 V C 0.911 177.019 176.094 0.023 0.000 1.042 343 V CA 0.891 63.252 62.300 0.100 0.000 0.928 343 V CB 0.627 32.545 31.823 0.158 0.000 0.986 343 V HN 1.870 nan 8.190 nan 0.000 0.462 344 G N 2.615 111.393 108.800 -0.037 0.000 2.335 344 G HA2 0.337 4.313 3.960 0.026 0.000 0.285 344 G HA3 0.337 4.313 3.960 0.026 0.000 0.285 344 G C 0.333 175.184 174.900 -0.080 0.000 1.448 344 G CA 0.332 45.398 45.100 -0.056 0.000 1.070 344 G HN 2.232 nan 8.290 nan 0.000 0.564 345 S N -3.268 112.358 115.700 -0.125 0.000 3.027 345 S HA -0.094 4.391 4.470 0.026 0.000 0.857 345 S C 0.566 174.981 174.600 -0.307 0.000 0.980 345 S CA 0.715 58.834 58.200 -0.135 0.000 1.337 345 S CB -0.223 62.974 63.200 -0.005 0.000 0.952 345 S HN 0.796 nan 8.310 nan 0.000 0.241 346 K N 2.799 122.932 120.400 -0.445 0.000 2.603 346 K HA 0.202 4.538 4.320 0.026 0.000 0.205 346 K C 1.377 177.637 176.600 -0.567 0.000 1.500 346 K CA 1.220 56.960 56.287 -0.911 0.000 1.059 346 K CB -0.389 30.933 32.500 -1.963 0.000 1.416 346 K HN 0.663 nan 8.250 nan 0.000 0.562 347 F N -0.233 119.646 119.950 -0.119 0.000 2.710 347 F HA 0.062 4.605 4.527 0.027 0.000 0.298 347 F C 1.654 177.396 175.800 -0.096 0.000 1.137 347 F CA -0.511 57.430 58.000 -0.098 0.000 1.444 347 F CB -1.282 37.751 39.000 0.055 0.000 1.111 347 F HN 0.069 nan 8.300 nan 0.000 0.580 348 W N 2.315 123.058 121.300 -0.928 0.000 2.480 348 W HA 0.081 4.756 4.660 0.024 0.000 0.257 348 W C -0.393 175.979 176.519 -0.246 0.000 1.235 348 W CA 0.250 57.209 57.345 -0.642 0.000 1.218 348 W CB -1.072 28.007 29.460 -0.635 0.000 1.131 348 W HN 0.066 nan 8.180 nan 0.000 0.606 349 E N 1.468 121.275 120.200 -0.655 0.000 2.158 349 E HA 0.287 4.653 4.350 0.026 0.000 0.271 349 E C -0.609 175.838 176.600 -0.254 0.000 0.911 349 E CA -0.916 55.234 56.400 -0.417 0.000 0.767 349 E CB 0.992 30.354 29.700 -0.563 0.000 1.120 349 E HN 0.082 nan 8.360 nan 0.000 0.405 350 Q N 0.988 120.724 119.800 -0.106 0.000 2.476 350 Q HA -0.166 4.190 4.340 0.026 0.000 0.256 350 Q C 0.321 176.251 176.000 -0.117 0.000 1.269 350 Q CA 0.531 56.275 55.803 -0.099 0.000 0.627 350 Q CB -0.821 27.830 28.738 -0.145 0.000 0.751 350 Q HN 0.727 nan 8.270 nan 0.000 0.317 351 S N 1.340 117.000 115.700 -0.065 0.000 2.325 351 S HA 0.068 4.553 4.470 0.026 0.000 0.214 351 S C 0.820 175.381 174.600 -0.064 0.000 1.031 351 S CA 1.128 59.310 58.200 -0.031 0.000 0.972 351 S CB 0.575 63.809 63.200 0.057 0.000 0.908 351 S HN 0.412 nan 8.310 nan 0.000 0.453 352 V N 2.626 122.484 119.914 -0.094 0.000 2.498 352 V HA 0.513 4.649 4.120 0.026 0.000 0.279 352 V C 0.204 176.237 176.094 -0.102 0.000 1.048 352 V CA -0.300 61.944 62.300 -0.092 0.000 0.967 352 V CB 0.928 32.688 31.823 -0.104 0.000 0.988 352 V HN 0.448 nan 8.190 nan 0.000 0.473 353 R N 4.619 125.057 120.500 -0.103 0.000 2.507 353 R HA 0.491 4.847 4.340 0.026 0.000 0.298 353 R C -1.455 174.858 176.300 0.022 0.000 1.087 353 R CA -0.648 55.374 56.100 -0.130 0.000 0.917 353 R CB 1.020 31.102 30.300 -0.364 0.000 1.173 353 R HN 0.703 nan 8.270 nan 0.000 0.472 354 L N 3.864 125.167 121.223 0.133 0.000 2.313 354 L HA 0.351 4.707 4.340 0.026 0.000 0.282 354 L C 1.182 178.209 176.870 0.262 0.000 1.092 354 L CA 0.523 55.380 54.840 0.028 0.000 0.831 354 L CB 1.552 43.328 42.059 -0.471 0.000 1.159 354 L HN 1.030 nan 8.230 nan 0.000 0.442 355 G N 1.913 110.846 108.800 0.222 0.000 2.132 355 G HA2 -0.271 3.705 3.960 0.026 0.000 0.228 355 G HA3 -0.271 3.705 3.960 0.026 0.000 0.228 355 G C 0.250 175.321 174.900 0.285 0.000 1.000 355 G CA 0.195 45.457 45.100 0.270 0.000 0.693 355 G HN 0.695 nan 8.290 nan 0.000 0.515 356 S N -0.122 115.701 115.700 0.204 0.000 2.455 356 S HA 0.315 4.800 4.470 0.026 0.000 0.278 356 S C 1.266 175.968 174.600 0.171 0.000 1.216 356 S CA 0.372 58.661 58.200 0.147 0.000 1.055 356 S CB 0.277 63.474 63.200 -0.006 0.000 0.939 356 S HN 0.494 nan 8.310 nan 0.000 0.494 357 W N 4.540 125.856 121.300 0.027 0.000 2.379 357 W HA -0.141 4.538 4.660 0.031 0.000 0.307 357 W C 1.129 177.637 176.519 -0.019 0.000 1.200 357 W CA 1.628 58.987 57.345 0.023 0.000 1.297 357 W CB -0.531 28.928 29.460 -0.001 0.000 1.140 357 W HN 0.831 nan 8.180 nan 0.000 0.507 358 D N -0.195 120.221 120.400 0.026 0.000 2.204 358 D HA -0.280 4.376 4.640 0.026 0.000 0.189 358 D C 2.215 178.445 176.300 -0.117 0.000 1.006 358 D CA 2.757 56.735 54.000 -0.036 0.000 0.855 358 D CB -0.341 40.464 40.800 0.009 0.000 0.946 358 D HN 0.082 nan 8.370 nan 0.000 0.448 359 R N -0.390 120.052 120.500 -0.096 0.000 2.152 359 R HA -0.015 4.341 4.340 0.026 0.000 0.232 359 R C 2.416 178.623 176.300 -0.154 0.000 1.117 359 R CA 1.057 57.121 56.100 -0.060 0.000 0.981 359 R CB -0.425 29.857 30.300 -0.030 0.000 0.870 359 R HN 0.221 nan 8.270 nan 0.000 0.451 360 G N 1.306 109.848 108.800 -0.430 0.000 2.446 360 G HA2 -0.263 3.712 3.960 0.026 0.000 0.217 360 G HA3 -0.263 3.712 3.960 0.026 0.000 0.217 360 G C 1.447 175.672 174.900 -1.125 0.000 1.168 360 G CA 0.802 45.333 45.100 -0.949 0.000 0.771 360 G HN 0.173 nan 8.290 nan 0.000 0.551 361 M N -0.166 118.947 119.600 -0.812 0.000 2.319 361 M HA 0.006 4.502 4.480 0.026 0.000 0.265 361 M C 2.593 178.883 176.300 -0.015 0.000 1.068 361 M CA 0.979 56.081 55.300 -0.330 0.000 1.118 361 M CB -0.404 32.122 32.600 -0.123 0.000 1.395 361 M HN 0.260 nan 8.290 nan 0.000 0.435 362 Q N -0.332 119.483 119.800 0.025 0.000 2.119 362 Q HA -0.141 4.215 4.340 0.026 0.000 0.201 362 Q C 1.830 177.944 176.000 0.190 0.000 0.972 362 Q CA 1.412 57.317 55.803 0.170 0.000 0.847 362 Q CB -0.137 28.703 28.738 0.171 0.000 0.903 362 Q HN 0.449 nan 8.270 nan 0.000 0.433 363 Y N 0.814 121.112 120.300 -0.003 0.000 2.114 363 Y HA -0.280 4.286 4.550 0.025 0.000 0.284 363 Y C 2.848 178.643 175.900 -0.174 0.000 1.143 363 Y CA 1.749 59.828 58.100 -0.034 0.000 1.135 363 Y CB -0.460 37.987 38.460 -0.023 0.000 0.980 363 Y HN 0.156 nan 8.280 nan 0.000 0.499 364 S N -1.216 114.576 115.700 0.152 0.000 2.355 364 S HA -0.267 4.219 4.470 0.026 0.000 0.222 364 S C 1.998 176.656 174.600 0.098 0.000 1.031 364 S CA 1.490 59.814 58.200 0.206 0.000 0.993 364 S CB -1.039 62.490 63.200 0.549 0.000 0.859 364 S HN 0.623 nan 8.310 nan 0.000 0.453 365 H N 1.513 120.625 119.070 0.071 0.000 2.387 365 H HA -0.087 4.485 4.556 0.026 0.000 0.299 365 H C 2.386 177.725 175.328 0.019 0.000 1.099 365 H CA 1.734 57.821 56.048 0.064 0.000 1.315 365 H CB -0.216 29.599 29.762 0.089 0.000 1.380 365 H HN 0.591 nan 8.280 nan 0.000 0.513 366 S N -0.023 115.629 115.700 -0.081 0.000 2.414 366 S HA -0.033 4.453 4.470 0.026 0.000 0.227 366 S C 2.234 176.698 174.600 -0.228 0.000 1.022 366 S CA 0.616 58.758 58.200 -0.097 0.000 0.958 366 S CB -0.347 62.952 63.200 0.165 0.000 0.797 366 S HN 0.431 nan 8.310 nan 0.000 0.493 367 I N 1.268 121.501 120.570 -0.563 0.000 2.493 367 I HA -0.082 4.104 4.170 0.026 0.000 0.254 367 I C 2.139 177.941 176.117 -0.524 0.000 1.160 367 I CA 0.890 61.627 61.300 -0.939 0.000 1.445 367 I CB -0.205 36.851 38.000 -1.573 0.000 1.086 367 I HN 0.365 nan 8.210 nan 0.000 0.433 368 I N 0.036 120.420 120.570 -0.310 0.000 2.206 368 I HA -0.213 3.973 4.170 0.026 0.000 0.239 368 I C 2.513 178.549 176.117 -0.134 0.000 1.078 368 I CA 1.454 62.684 61.300 -0.117 0.000 1.367 368 I CB -1.015 37.011 38.000 0.043 0.000 1.078 368 I HN 0.187 nan 8.210 nan 0.000 0.413 369 T N 1.131 115.583 114.554 -0.170 0.000 2.685 369 T HA -0.217 4.148 4.350 0.026 0.000 0.268 369 T C 1.690 176.395 174.700 0.009 0.000 1.034 369 T CA 1.668 63.719 62.100 -0.081 0.000 1.149 369 T CB -0.550 68.238 68.868 -0.134 0.000 0.860 369 T HN 0.347 nan 8.240 nan 0.000 0.449 370 N N 0.815 119.494 118.700 -0.035 0.000 2.120 370 N HA -0.006 4.749 4.740 0.026 0.000 0.188 370 N C 1.882 177.374 175.510 -0.031 0.000 1.024 370 N CA 1.011 54.071 53.050 0.016 0.000 0.852 370 N CB -0.235 38.316 38.487 0.106 0.000 1.003 370 N HN 0.358 nan 8.380 nan 0.000 0.424 371 L N 0.990 122.155 121.223 -0.095 0.000 2.156 371 L HA -0.041 4.315 4.340 0.026 0.000 0.208 371 L C 2.265 178.995 176.870 -0.233 0.000 1.095 371 L CA 0.443 55.214 54.840 -0.114 0.000 0.770 371 L CB -0.236 41.785 42.059 -0.063 0.000 0.914 371 L HN 0.129 nan 8.230 nan 0.000 0.439 372 L N -1.408 119.649 121.223 -0.277 0.000 2.265 372 L HA -0.200 4.155 4.340 0.026 0.000 0.215 372 L C 0.715 177.096 176.870 -0.814 0.000 1.117 372 L CA 1.196 55.720 54.840 -0.526 0.000 0.782 372 L CB -0.119 41.641 42.059 -0.498 0.000 0.914 372 L HN 0.286 nan 8.230 nan 0.000 0.441 373 Y N -0.962 119.102 120.300 -0.393 0.000 2.722 373 Y HA 0.200 4.765 4.550 0.026 0.000 0.314 373 Y C 0.456 176.143 175.900 -0.355 0.000 1.008 373 Y CA -0.569 57.250 58.100 -0.468 0.000 1.294 373 Y CB -0.259 38.114 38.460 -0.144 0.000 1.231 373 Y HN 0.171 nan 8.280 nan 0.000 0.558 374 H N -3.417 115.603 119.070 -0.082 0.000 3.863 374 H HA -0.156 4.416 4.556 0.027 0.000 0.160 374 H C 0.279 175.583 175.328 -0.040 0.000 0.870 374 H CA 0.482 56.447 56.048 -0.138 0.000 1.247 374 H CB -1.591 27.913 29.762 -0.430 0.000 0.921 374 H HN 0.091 nan 8.280 nan 0.000 0.421 375 V N 3.590 123.541 119.914 0.062 0.000 2.557 375 V HA -0.025 4.110 4.120 0.026 0.000 0.301 375 V C 2.093 178.188 176.094 0.000 0.000 1.026 375 V CA 0.971 63.290 62.300 0.031 0.000 1.137 375 V CB 1.257 33.078 31.823 -0.003 0.000 0.917 375 V HN 0.407 nan 8.190 nan 0.000 0.484 376 V N 2.041 121.974 119.914 0.032 0.000 3.608 376 V HA 0.603 4.739 4.120 0.026 0.000 0.269 376 V C 0.762 176.810 176.094 -0.077 0.000 1.245 376 V CA 0.943 63.264 62.300 0.036 0.000 1.138 376 V CB -0.252 31.654 31.823 0.139 0.000 0.841 376 V HN 0.947 nan 8.190 nan 0.000 0.451 377 G N -1.513 107.122 108.800 -0.275 0.000 2.646 377 G HA2 0.486 4.462 3.960 0.026 0.000 0.291 377 G HA3 0.486 4.462 3.960 0.026 0.000 0.291 377 G C -2.629 171.717 174.900 -0.925 0.000 1.445 377 G CA -0.692 44.056 45.100 -0.588 0.000 0.814 377 G HN 0.229 nan 8.290 nan 0.000 0.495 378 W N 0.860 121.492 121.300 -1.113 0.000 3.036 378 W HA 0.584 5.262 4.660 0.029 0.000 0.337 378 W C -0.634 175.602 176.519 -0.471 0.000 1.055 378 W CA -0.317 56.556 57.345 -0.785 0.000 1.248 378 W CB 2.372 31.500 29.460 -0.553 0.000 1.335 378 W HN 0.520 nan 8.180 nan 0.000 0.446 379 T N 4.519 118.791 114.554 -0.470 0.000 2.758 379 T HA 0.098 4.463 4.350 0.026 0.000 0.285 379 T C -0.427 174.096 174.700 -0.296 0.000 0.981 379 T CA -0.287 61.685 62.100 -0.214 0.000 0.965 379 T CB 0.814 69.672 68.868 -0.018 0.000 0.927 379 T HN 0.251 nan 8.240 nan 0.000 0.448 380 D N 1.603 122.009 120.400 0.010 0.000 2.368 380 D HA 0.087 4.742 4.640 0.026 0.000 0.240 380 D C 0.501 176.918 176.300 0.195 0.000 1.169 380 D CA -0.309 53.791 54.000 0.167 0.000 0.906 380 D CB 0.780 41.822 40.800 0.403 0.000 1.187 380 D HN 0.545 nan 8.370 nan 0.000 0.435 381 W N 1.649 122.937 121.300 -0.020 0.000 1.612 381 W HA 0.015 4.690 4.660 0.025 0.000 0.598 381 W C 0.620 177.107 176.519 -0.053 0.000 1.737 381 W CA -0.665 56.645 57.345 -0.058 0.000 1.901 381 W CB 0.008 29.411 29.460 -0.095 0.000 2.926 381 W HN 0.259 nan 8.180 nan 0.000 0.813 382 N N 2.543 121.109 118.700 -0.225 0.000 2.359 382 N HA -0.105 4.650 4.740 0.026 0.000 0.261 382 N C 0.800 176.257 175.510 -0.088 0.000 1.267 382 N CA 0.315 53.131 53.050 -0.389 0.000 0.864 382 N CB 0.893 38.905 38.487 -0.791 0.000 1.063 382 N HN 0.336 nan 8.380 nan 0.000 0.474 383 L N 1.421 122.634 121.223 -0.016 0.000 2.046 383 L HA -0.110 4.246 4.340 0.026 0.000 0.208 383 L C 1.077 178.035 176.870 0.146 0.000 1.077 383 L CA 1.078 55.952 54.840 0.057 0.000 0.747 383 L CB -0.103 41.962 42.059 0.010 0.000 0.896 383 L HN 0.595 nan 8.230 nan 0.000 0.432 384 A N -0.840 121.995 122.820 0.024 0.000 2.515 384 A HA 0.753 5.089 4.320 0.026 0.000 0.298 384 A C -1.070 176.467 177.584 -0.079 0.000 1.059 384 A CA -0.469 51.565 52.037 -0.004 0.000 0.698 384 A CB 1.523 20.515 19.000 -0.013 0.000 1.289 384 A HN 0.016 nan 8.150 nan 0.000 0.404 385 L N 1.168 122.352 121.223 -0.066 0.000 2.327 385 L HA 0.475 4.831 4.340 0.026 0.000 0.258 385 L C -0.087 176.764 176.870 -0.032 0.000 1.024 385 L CA -1.234 53.566 54.840 -0.066 0.000 0.825 385 L CB 2.289 44.290 42.059 -0.097 0.000 1.386 385 L HN 0.992 nan 8.230 nan 0.000 0.417 386 N N 0.121 118.809 118.700 -0.020 0.000 2.364 386 N HA 0.291 5.046 4.740 0.026 0.000 0.264 386 N C -2.386 173.091 175.510 -0.055 0.000 1.263 386 N CA -1.640 51.396 53.050 -0.025 0.000 0.959 386 N CB -0.147 38.331 38.487 -0.015 0.000 1.204 386 N HN 0.166 nan 8.380 nan 0.000 0.550 387 P HA -0.055 nan 4.420 nan 0.000 0.223 387 P C 0.682 177.886 177.300 -0.160 0.000 1.151 387 P CA 1.117 64.165 63.100 -0.087 0.000 0.787 387 P CB 0.181 31.846 31.700 -0.058 0.000 0.788 388 E N -0.958 119.116 120.200 -0.211 0.000 2.358 388 E HA 0.027 4.393 4.350 0.026 0.000 0.195 388 E C 0.943 177.188 176.600 -0.592 0.000 1.010 388 E CA 0.738 56.881 56.400 -0.428 0.000 0.856 388 E CB -0.378 29.061 29.700 -0.435 0.000 0.795 388 E HN 0.183 nan 8.360 nan 0.000 0.504 389 G N 0.548 109.183 108.800 -0.274 0.000 2.164 389 G HA2 -0.184 3.791 3.960 0.026 0.000 0.212 389 G HA3 -0.184 3.791 3.960 0.026 0.000 0.212 389 G C 0.195 175.174 174.900 0.132 0.000 1.031 389 G CA 0.079 45.117 45.100 -0.103 0.000 0.730 389 G HN 0.527 nan 8.290 nan 0.000 0.501 390 G N -0.937 107.920 108.800 0.096 0.000 3.243 390 G HA2 0.863 4.839 3.960 0.026 0.000 0.248 390 G HA3 0.863 4.839 3.960 0.026 0.000 0.248 390 G C -3.102 171.890 174.900 0.153 0.000 1.267 390 G CA -0.917 44.342 45.100 0.266 0.000 0.906 390 G HN 0.174 nan 8.290 nan 0.000 0.592 391 P HA 0.209 nan 4.420 nan 0.000 0.278 391 P C -0.834 176.561 177.300 0.158 0.000 1.238 391 P CA -0.447 62.752 63.100 0.164 0.000 0.794 391 P CB 0.995 32.761 31.700 0.111 0.000 0.955 392 N N 1.973 120.713 118.700 0.066 0.000 2.225 392 N HA 0.137 4.892 4.740 0.026 0.000 0.298 392 N C 0.409 175.838 175.510 -0.134 0.000 1.076 392 N CA -0.724 52.177 53.050 -0.249 0.000 0.792 392 N CB 1.251 39.399 38.487 -0.565 0.000 1.498 392 N HN 0.525 nan 8.380 nan 0.000 0.474 393 W N 3.328 124.482 121.300 -0.243 0.000 2.905 393 W HA 0.207 4.883 4.660 0.026 0.000 0.251 393 W C -0.062 176.363 176.519 -0.158 0.000 1.305 393 W CA 0.095 57.351 57.345 -0.150 0.000 1.465 393 W CB -0.268 29.124 29.460 -0.113 0.000 1.122 393 W HN 0.245 nan 8.180 nan 0.000 0.659 394 V N 1.994 121.347 119.914 -0.935 0.000 3.330 394 V HA 0.305 4.440 4.120 0.026 0.000 0.309 394 V C 1.111 176.791 176.094 -0.689 0.000 1.481 394 V CA -0.104 61.578 62.300 -1.030 0.000 1.068 394 V CB -0.524 30.259 31.823 -1.734 0.000 0.935 394 V HN 0.158 nan 8.190 nan 0.000 0.453 395 R N 1.117 121.170 120.500 -0.745 0.000 3.872 395 R HA -0.150 4.206 4.340 0.026 0.000 0.341 395 R C 0.460 176.066 176.300 -1.156 0.000 1.172 395 R CA 0.928 56.408 56.100 -1.034 0.000 0.901 395 R CB -2.127 27.810 30.300 -0.605 0.000 1.422 395 R HN 0.697 nan 8.270 nan 0.000 0.523 396 N N 1.401 119.581 118.700 -0.866 0.000 2.402 396 N HA 0.041 4.797 4.740 0.026 0.000 0.259 396 N C -0.938 174.336 175.510 -0.394 0.000 1.167 396 N CA 0.244 52.983 53.050 -0.518 0.000 0.949 396 N CB 0.228 38.438 38.487 -0.461 0.000 1.212 396 N HN -0.053 nan 8.380 nan 0.000 0.493 397 F N 2.840 122.774 119.950 -0.027 0.000 2.410 397 F HA 0.348 4.890 4.527 0.026 0.000 0.349 397 F C 0.679 176.511 175.800 0.054 0.000 1.117 397 F CA -0.845 57.169 58.000 0.023 0.000 1.104 397 F CB 1.278 40.279 39.000 0.000 0.000 1.122 397 F HN 0.184 nan 8.300 nan 0.000 0.483 398 V N -0.602 119.503 119.914 0.320 0.000 3.159 398 V HA 0.616 4.751 4.120 0.026 0.000 0.308 398 V C -0.831 175.303 176.094 0.066 0.000 1.190 398 V CA -0.963 61.428 62.300 0.152 0.000 1.037 398 V CB 2.079 33.987 31.823 0.142 0.000 1.060 398 V HN 0.510 nan 8.190 nan 0.000 0.437 399 D N 0.418 120.839 120.400 0.035 0.000 2.387 399 D HA 0.683 5.339 4.640 0.026 0.000 0.251 399 D C -0.481 175.821 176.300 0.002 0.000 1.141 399 D CA 0.283 54.286 54.000 0.005 0.000 0.987 399 D CB 2.007 42.809 40.800 0.004 0.000 1.116 399 D HN 0.946 nan 8.370 nan 0.000 0.491 400 S N -0.209 115.484 115.700 -0.011 0.000 2.541 400 S HA 0.460 4.946 4.470 0.026 0.000 0.271 400 S C -2.327 172.287 174.600 0.023 0.000 1.133 400 S CA -1.208 56.995 58.200 0.004 0.000 0.876 400 S CB 1.823 64.996 63.200 -0.045 0.000 1.105 400 S HN 0.083 nan 8.310 nan 0.000 0.470 401 P HA 0.197 nan 4.420 nan 0.000 0.220 401 P C -0.378 176.980 177.300 0.096 0.000 1.148 401 P CA 0.946 64.102 63.100 0.092 0.000 0.803 401 P CB 0.089 31.920 31.700 0.218 0.000 0.782 402 I N -0.295 120.326 120.570 0.086 0.000 2.498 402 I HA 0.272 4.457 4.170 0.026 0.000 0.290 402 I C -0.624 175.513 176.117 0.032 0.000 1.032 402 I CA -0.955 60.355 61.300 0.016 0.000 1.073 402 I CB 2.331 40.269 38.000 -0.103 0.000 1.251 402 I HN -0.290 nan 8.210 nan 0.000 0.426 403 I N 6.652 127.264 120.570 0.069 0.000 2.465 403 I HA 0.398 4.583 4.170 0.026 0.000 0.291 403 I C -0.142 175.997 176.117 0.035 0.000 1.014 403 I CA -0.832 60.505 61.300 0.062 0.000 1.093 403 I CB 2.001 40.072 38.000 0.119 0.000 1.267 403 I HN 0.112 nan 8.210 nan 0.000 0.431 404 V N 5.154 125.068 119.914 -0.001 0.000 2.435 404 V HA 0.332 4.467 4.120 0.026 0.000 0.290 404 V C -0.160 175.914 176.094 -0.034 0.000 1.030 404 V CA -0.542 61.746 62.300 -0.019 0.000 0.881 404 V CB 1.996 33.806 31.823 -0.021 0.000 0.983 404 V HN 0.598 nan 8.190 nan 0.000 0.445 405 D N 4.226 124.573 120.400 -0.088 0.000 2.493 405 D HA 0.364 5.019 4.640 0.026 0.000 0.235 405 D C 1.047 177.335 176.300 -0.019 0.000 1.117 405 D CA -0.195 53.782 54.000 -0.038 0.000 0.930 405 D CB 1.021 41.808 40.800 -0.021 0.000 1.010 405 D HN 0.455 nan 8.370 nan 0.000 0.514 406 I N 1.090 121.661 120.570 0.001 0.000 2.264 406 I HA -0.281 3.904 4.170 0.026 0.000 0.248 406 I C 2.552 178.677 176.117 0.012 0.000 1.111 406 I CA 1.377 62.682 61.300 0.008 0.000 1.382 406 I CB -0.122 37.885 38.000 0.011 0.000 1.060 406 I HN 0.378 nan 8.210 nan 0.000 0.418 407 T N -1.046 113.518 114.554 0.017 0.000 3.007 407 T HA -0.145 4.220 4.350 0.026 0.000 0.270 407 T C 1.519 176.231 174.700 0.021 0.000 1.107 407 T CA 1.155 63.267 62.100 0.021 0.000 1.118 407 T CB -0.160 68.725 68.868 0.029 0.000 0.889 407 T HN 0.329 nan 8.240 nan 0.000 0.506 408 K N 0.350 120.760 120.400 0.016 0.000 2.387 408 K HA 0.186 4.521 4.320 0.026 0.000 0.203 408 K C 0.379 176.975 176.600 -0.007 0.000 1.030 408 K CA 0.241 56.535 56.287 0.012 0.000 1.099 408 K CB 0.302 32.821 32.500 0.032 0.000 0.863 408 K HN 0.184 nan 8.250 nan 0.000 0.529 409 D N 2.266 122.665 120.400 -0.002 0.000 2.739 409 D HA -0.181 4.475 4.640 0.026 0.000 0.230 409 D C -0.488 175.802 176.300 -0.016 0.000 1.167 409 D CA 1.336 55.339 54.000 0.005 0.000 0.640 409 D CB -0.624 40.184 40.800 0.013 0.000 1.045 409 D HN 0.437 nan 8.370 nan 0.000 0.421 410 T N -2.133 112.376 114.554 -0.075 0.000 2.942 410 T HA 0.724 5.090 4.350 0.026 0.000 0.289 410 T C -0.121 174.448 174.700 -0.219 0.000 1.044 410 T CA -0.913 61.068 62.100 -0.200 0.000 1.023 410 T CB 1.625 70.334 68.868 -0.265 0.000 1.123 410 T HN 0.324 nan 8.240 nan 0.000 0.512 411 F N -0.820 118.907 119.950 -0.371 0.000 2.578 411 F HA 0.722 5.264 4.527 0.026 0.000 0.311 411 F C -1.796 173.751 175.800 -0.421 0.000 1.094 411 F CA -1.866 55.874 58.000 -0.432 0.000 0.923 411 F CB 0.979 39.838 39.000 -0.235 0.000 1.230 411 F HN 0.612 nan 8.300 nan 0.000 0.450 412 Y N 1.652 122.045 120.300 0.155 0.000 2.320 412 Y HA 0.508 5.073 4.550 0.026 0.000 0.334 412 Y C -0.096 175.849 175.900 0.075 0.000 1.055 412 Y CA -0.903 57.244 58.100 0.079 0.000 1.143 412 Y CB 1.598 40.103 38.460 0.075 0.000 1.193 412 Y HN 0.484 nan 8.280 nan 0.000 0.477 413 K N 3.830 124.327 120.400 0.162 0.000 2.253 413 K HA 0.210 4.545 4.320 0.026 0.000 0.277 413 K C -0.316 176.419 176.600 0.225 0.000 1.053 413 K CA -0.626 55.652 56.287 -0.015 0.000 0.892 413 K CB 0.773 33.065 32.500 -0.347 0.000 1.102 413 K HN 0.535 nan 8.250 nan 0.000 0.469 414 Q N 2.620 122.538 119.800 0.197 0.000 2.260 414 Q HA 0.127 4.482 4.340 0.026 0.000 0.238 414 Q C -1.726 174.499 176.000 0.376 0.000 0.948 414 Q CA -1.930 54.017 55.803 0.240 0.000 0.895 414 Q CB 0.760 29.572 28.738 0.123 0.000 1.218 414 Q HN 0.286 nan 8.270 nan 0.000 0.470 415 P HA -0.231 nan 4.420 nan 0.000 0.217 415 P C 1.346 178.807 177.300 0.269 0.000 1.162 415 P CA 1.754 65.104 63.100 0.417 0.000 0.901 415 P CB 0.026 31.882 31.700 0.261 0.000 0.793 416 M N -2.607 116.985 119.600 -0.013 0.000 2.152 416 M HA -0.272 4.223 4.480 0.026 0.000 0.251 416 M C 2.032 178.296 176.300 -0.060 0.000 1.080 416 M CA 2.081 57.245 55.300 -0.225 0.000 1.079 416 M CB -0.973 31.339 32.600 -0.481 0.000 1.317 416 M HN -0.077 nan 8.290 nan 0.000 0.404 417 F N -0.367 119.514 119.950 -0.115 0.000 2.171 417 F HA -0.260 4.282 4.527 0.024 0.000 0.300 417 F C 1.678 177.330 175.800 -0.246 0.000 1.090 417 F CA 1.576 59.443 58.000 -0.222 0.000 1.293 417 F CB -0.273 38.471 39.000 -0.427 0.000 1.013 417 F HN 0.069 nan 8.300 nan 0.000 0.486 418 Y N -0.881 119.564 120.300 0.241 0.000 2.314 418 Y HA -0.106 4.461 4.550 0.029 0.000 0.294 418 Y C 2.702 178.698 175.900 0.160 0.000 1.119 418 Y CA 1.557 59.754 58.100 0.162 0.000 1.179 418 Y CB -0.846 37.802 38.460 0.313 0.000 1.025 418 Y HN 0.124 nan 8.280 nan 0.000 0.541 419 H N -0.415 118.786 119.070 0.219 0.000 2.357 419 H HA -0.143 4.429 4.556 0.027 0.000 0.301 419 H C 2.272 177.747 175.328 0.245 0.000 1.082 419 H CA 1.429 57.624 56.048 0.245 0.000 1.342 419 H CB -0.274 29.552 29.762 0.105 0.000 1.389 419 H HN 0.315 nan 8.280 nan 0.000 0.511 420 L N 0.306 121.661 121.223 0.221 0.000 2.081 420 L HA -0.168 4.188 4.340 0.026 0.000 0.212 420 L C 2.733 179.589 176.870 -0.024 0.000 1.080 420 L CA 1.262 56.175 54.840 0.121 0.000 0.754 420 L CB -0.437 41.677 42.059 0.091 0.000 0.893 420 L HN 0.321 nan 8.230 nan 0.000 0.433 421 G N -2.368 106.301 108.800 -0.219 0.000 2.421 421 G HA2 -0.218 3.757 3.960 0.026 0.000 0.217 421 G HA3 -0.218 3.757 3.960 0.026 0.000 0.217 421 G C 1.314 175.956 174.900 -0.430 0.000 1.143 421 G CA 0.145 44.982 45.100 -0.438 0.000 0.784 421 G HN 0.403 nan 8.290 nan 0.000 0.541 422 H N -0.364 118.587 119.070 -0.199 0.000 2.492 422 H HA -0.069 4.503 4.556 0.026 0.000 0.296 422 H C 1.905 176.958 175.328 -0.457 0.000 1.095 422 H CA 1.325 57.222 56.048 -0.251 0.000 1.281 422 H CB 0.023 29.582 29.762 -0.338 0.000 1.374 422 H HN 0.486 nan 8.280 nan 0.000 0.545 423 F N -0.171 119.621 119.950 -0.263 0.000 2.390 423 F HA -0.058 4.486 4.527 0.029 0.000 0.281 423 F C 2.840 178.168 175.800 -0.786 0.000 1.016 423 F CA 0.624 58.315 58.000 -0.515 0.000 1.286 423 F CB -0.814 37.703 39.000 -0.806 0.000 1.134 423 F HN 0.006 nan 8.300 nan 0.000 0.597 424 S N 0.798 116.078 115.700 -0.700 0.000 2.380 424 S HA -0.348 4.138 4.470 0.026 0.000 0.229 424 S C 2.002 176.335 174.600 -0.445 0.000 1.043 424 S CA 1.934 59.802 58.200 -0.553 0.000 1.038 424 S CB -0.792 62.321 63.200 -0.145 0.000 0.872 424 S HN 0.409 nan 8.310 nan 0.000 0.456 425 K N 0.223 120.196 120.400 -0.712 0.000 2.155 425 K HA 0.094 4.430 4.320 0.026 0.000 0.203 425 K C 0.980 177.027 176.600 -0.922 0.000 1.052 425 K CA 1.259 56.935 56.287 -1.018 0.000 0.948 425 K CB -0.155 31.332 32.500 -1.688 0.000 0.728 425 K HN 0.602 nan 8.250 nan 0.000 0.448 426 F N -0.157 119.633 119.950 -0.266 0.000 2.682 426 F HA 0.316 4.860 4.527 0.028 0.000 0.308 426 F C 0.026 175.735 175.800 -0.151 0.000 1.093 426 F CA -0.661 57.237 58.000 -0.170 0.000 1.244 426 F CB 0.889 39.792 39.000 -0.163 0.000 1.052 426 F HN -0.190 nan 8.300 nan 0.000 0.573 427 I N 3.338 123.866 120.570 -0.069 0.000 2.502 427 I HA 0.265 4.450 4.170 0.026 0.000 0.276 427 I C -2.498 173.582 176.117 -0.063 0.000 1.057 427 I CA -2.015 59.242 61.300 -0.070 0.000 1.163 427 I CB 0.895 38.961 38.000 0.109 0.000 1.288 427 I HN -0.236 nan 8.210 nan 0.000 0.479 428 P HA 0.088 nan 4.420 nan 0.000 0.276 428 P C -0.182 177.095 177.300 -0.039 0.000 1.244 428 P CA -0.353 62.690 63.100 -0.095 0.000 0.801 428 P CB 0.820 32.436 31.700 -0.140 0.000 1.006 429 E N 0.107 120.302 120.200 -0.008 0.000 2.652 429 E HA 0.103 4.469 4.350 0.026 0.000 0.255 429 E C 1.057 177.650 176.600 -0.012 0.000 0.952 429 E CA 1.391 57.783 56.400 -0.013 0.000 0.947 429 E CB -0.668 29.013 29.700 -0.033 0.000 0.912 429 E HN 0.773 nan 8.360 nan 0.000 0.489 430 G N 2.978 111.780 108.800 0.004 0.000 2.339 430 G HA2 -0.252 3.723 3.960 0.026 0.000 0.209 430 G HA3 -0.252 3.723 3.960 0.026 0.000 0.209 430 G C 0.219 175.133 174.900 0.023 0.000 1.015 430 G CA -0.022 45.087 45.100 0.015 0.000 0.635 430 G HN 0.629 nan 8.290 nan 0.000 0.499 431 S N 0.763 116.468 115.700 0.009 0.000 2.561 431 S HA 0.359 4.844 4.470 0.026 0.000 0.294 431 S C 0.223 174.858 174.600 0.059 0.000 1.294 431 S CA 0.882 59.098 58.200 0.027 0.000 1.055 431 S CB 1.334 64.543 63.200 0.015 0.000 0.819 431 S HN 0.771 nan 8.310 nan 0.000 0.503 432 Q N 1.933 121.774 119.800 0.070 0.000 2.333 432 Q HA 0.379 4.735 4.340 0.026 0.000 0.268 432 Q C -0.229 175.835 176.000 0.106 0.000 1.007 432 Q CA -0.772 55.083 55.803 0.086 0.000 0.810 432 Q CB 0.923 29.705 28.738 0.073 0.000 1.264 432 Q HN 0.641 nan 8.270 nan 0.000 0.452 433 R N 2.391 122.968 120.500 0.128 0.000 2.643 433 R HA 0.408 4.764 4.340 0.026 0.000 0.270 433 R C -0.656 175.789 176.300 0.242 0.000 1.061 433 R CA 0.064 56.244 56.100 0.134 0.000 1.107 433 R CB 0.551 30.890 30.300 0.066 0.000 0.999 433 R HN 0.534 nan 8.270 nan 0.000 0.460 434 V N 0.074 120.120 119.914 0.220 0.000 3.182 434 V HA 0.757 4.892 4.120 0.026 0.000 0.308 434 V C 0.009 176.251 176.094 0.246 0.000 1.240 434 V CA -0.634 61.844 62.300 0.297 0.000 1.063 434 V CB 1.352 33.261 31.823 0.144 0.000 1.076 434 V HN 0.886 nan 8.190 nan 0.000 0.446 435 G N -0.023 108.947 108.800 0.284 0.000 2.539 435 G HA2 0.593 4.569 3.960 0.026 0.000 0.258 435 G HA3 0.593 4.569 3.960 0.026 0.000 0.258 435 G C -1.166 173.783 174.900 0.082 0.000 1.202 435 G CA -0.311 44.912 45.100 0.205 0.000 0.851 435 G HN 1.346 nan 8.290 nan 0.000 0.556 436 L N 1.645 122.886 121.223 0.030 0.000 2.680 436 L HA 0.349 4.704 4.340 0.026 0.000 0.260 436 L C -0.611 176.258 176.870 -0.002 0.000 0.975 436 L CA -0.431 54.417 54.840 0.013 0.000 0.920 436 L CB 1.814 43.875 42.059 0.004 0.000 1.234 436 L HN 0.324 nan 8.230 nan 0.000 0.429 437 V N 4.068 123.985 119.914 0.006 0.000 2.461 437 V HA 0.751 4.887 4.120 0.026 0.000 0.275 437 V C 0.929 177.023 176.094 -0.001 0.000 1.047 437 V CA -0.096 62.206 62.300 0.004 0.000 0.955 437 V CB 1.139 32.970 31.823 0.014 0.000 0.988 437 V HN 0.869 nan 8.190 nan 0.000 0.471 438 A N 3.677 126.497 122.820 0.000 0.000 2.340 438 A HA 0.470 4.806 4.320 0.026 0.000 0.268 438 A C 1.369 178.961 177.584 0.012 0.000 1.100 438 A CA 0.294 52.334 52.037 0.003 0.000 0.803 438 A CB 0.700 19.703 19.000 0.005 0.000 1.043 438 A HN 1.134 nan 8.150 nan 0.000 0.488 439 S N 0.662 116.372 115.700 0.018 0.000 2.522 439 S HA 0.160 4.646 4.470 0.026 0.000 0.227 439 S C 0.440 175.056 174.600 0.026 0.000 0.986 439 S CA 0.924 59.141 58.200 0.028 0.000 0.929 439 S CB -0.498 62.728 63.200 0.044 0.000 0.769 439 S HN 1.095 nan 8.310 nan 0.000 0.529 440 Q N -1.195 118.618 119.800 0.022 0.000 2.959 440 Q HA 0.348 4.703 4.340 0.026 0.000 0.288 440 Q C -1.451 174.561 176.000 0.019 0.000 0.911 440 Q CA -1.123 54.693 55.803 0.021 0.000 0.800 440 Q CB 0.354 29.106 28.738 0.023 0.000 1.645 440 Q HN 0.026 nan 8.270 nan 0.000 0.454 441 K N 0.991 121.403 120.400 0.019 0.000 2.485 441 K HA 0.160 4.495 4.320 0.026 0.000 0.277 441 K C -0.894 175.717 176.600 0.018 0.000 0.990 441 K CA 1.165 57.464 56.287 0.020 0.000 0.994 441 K CB 0.091 32.603 32.500 0.020 0.000 0.906 441 K HN 0.820 nan 8.250 nan 0.000 0.488 442 N N 0.596 119.307 118.700 0.019 0.000 3.127 442 N HA 0.113 4.869 4.740 0.026 0.000 0.239 442 N C -1.273 174.249 175.510 0.019 0.000 1.407 442 N CA -0.762 52.298 53.050 0.017 0.000 0.891 442 N CB 0.822 39.319 38.487 0.016 0.000 1.447 442 N HN 0.253 nan 8.380 nan 0.000 0.507 443 D N -0.040 120.368 120.400 0.013 0.000 2.349 443 D HA 0.189 4.844 4.640 0.026 0.000 0.214 443 D C 0.051 176.366 176.300 0.025 0.000 1.063 443 D CA 0.191 54.199 54.000 0.014 0.000 0.847 443 D CB 0.127 40.926 40.800 -0.002 0.000 0.933 443 D HN 0.392 nan 8.370 nan 0.000 0.513 444 L N 1.354 122.594 121.223 0.029 0.000 2.397 444 L HA 0.212 4.568 4.340 0.026 0.000 0.271 444 L C 0.402 177.311 176.870 0.065 0.000 1.148 444 L CA -0.082 54.783 54.840 0.042 0.000 0.825 444 L CB 0.780 42.859 42.059 0.035 0.000 1.117 444 L HN -0.237 nan 8.230 nan 0.000 0.456 445 D N 2.160 122.618 120.400 0.096 0.000 2.192 445 D HA 0.663 5.319 4.640 0.026 0.000 0.246 445 D C -0.486 175.875 176.300 0.103 0.000 1.042 445 D CA -0.078 53.994 54.000 0.121 0.000 0.847 445 D CB 2.416 43.344 40.800 0.214 0.000 1.186 445 D HN 0.620 nan 8.370 nan 0.000 0.461 446 A N 1.169 124.035 122.820 0.076 0.000 2.609 446 A HA 0.719 5.054 4.320 0.026 0.000 0.291 446 A C -1.498 176.116 177.584 0.051 0.000 1.096 446 A CA -0.737 51.344 52.037 0.073 0.000 0.684 446 A CB 2.189 21.222 19.000 0.055 0.000 1.282 446 A HN 0.384 nan 8.150 nan 0.000 0.412 447 V N -0.470 119.483 119.914 0.065 0.000 3.023 447 V HA 0.803 4.939 4.120 0.026 0.000 0.294 447 V C -1.040 175.089 176.094 0.058 0.000 1.324 447 V CA 0.300 62.625 62.300 0.042 0.000 0.979 447 V CB 1.772 33.634 31.823 0.065 0.000 1.093 447 V HN 2.428 nan 8.190 nan 0.000 0.434 448 A N 5.788 128.629 122.820 0.034 0.000 2.374 448 A HA 1.034 5.370 4.320 0.026 0.000 0.317 448 A C -1.574 176.035 177.584 0.042 0.000 1.094 448 A CA -0.596 51.465 52.037 0.039 0.000 0.765 448 A CB 1.713 20.740 19.000 0.045 0.000 1.268 448 A HN 1.113 nan 8.150 nan 0.000 0.438 449 L N 0.451 121.693 121.223 0.032 0.000 2.491 449 L HA 0.738 5.093 4.340 0.026 0.000 0.254 449 L C -0.568 176.319 176.870 0.029 0.000 1.048 449 L CA -0.268 54.606 54.840 0.057 0.000 0.855 449 L CB 2.218 44.333 42.059 0.093 0.000 1.466 449 L HN 0.787 nan 8.230 nan 0.000 0.409 450 M N 0.022 119.655 119.600 0.056 0.000 2.326 450 M HA 0.463 4.958 4.480 0.026 0.000 0.306 450 M C -0.742 175.637 176.300 0.131 0.000 1.054 450 M CA -0.106 55.214 55.300 0.033 0.000 0.922 450 M CB 1.590 34.194 32.600 0.007 0.000 1.632 450 M HN 0.468 nan 8.290 nan 0.000 0.436 451 H N 3.549 122.565 119.070 -0.089 0.000 2.671 451 H HA 0.145 4.717 4.556 0.026 0.000 0.372 451 H C -1.708 173.589 175.328 -0.051 0.000 1.227 451 H CA -1.631 54.383 56.048 -0.057 0.000 1.426 451 H CB 0.275 29.992 29.762 -0.074 0.000 1.480 451 H HN 0.492 nan 8.280 nan 0.000 0.611 452 P HA -0.143 nan 4.420 nan 0.000 0.226 452 P C 0.235 177.551 177.300 0.025 0.000 1.146 452 P CA 1.266 64.392 63.100 0.045 0.000 0.773 452 P CB 0.012 31.731 31.700 0.033 0.000 0.772 453 D N -2.404 118.009 120.400 0.022 0.000 2.643 453 D HA 0.221 4.877 4.640 0.026 0.000 0.244 453 D C 1.354 177.587 176.300 -0.112 0.000 1.257 453 D CA -0.294 53.679 54.000 -0.044 0.000 0.831 453 D CB -0.751 40.013 40.800 -0.059 0.000 1.043 453 D HN 0.127 nan 8.370 nan 0.000 0.488 454 G N 0.530 109.282 108.800 -0.080 0.000 2.328 454 G HA2 -0.353 3.623 3.960 0.026 0.000 0.256 454 G HA3 -0.353 3.623 3.960 0.026 0.000 0.256 454 G C 0.638 175.417 174.900 -0.202 0.000 1.014 454 G CA 0.671 45.704 45.100 -0.112 0.000 0.620 454 G HN 0.881 nan 8.290 nan 0.000 0.530 455 S N 0.209 115.706 115.700 -0.339 0.000 2.608 455 S HA 0.745 5.231 4.470 0.026 0.000 0.261 455 S C 0.283 174.540 174.600 -0.572 0.000 1.314 455 S CA 0.472 58.344 58.200 -0.546 0.000 0.992 455 S CB 1.963 64.685 63.200 -0.796 0.000 0.935 455 S HN 1.933 nan 8.310 nan 0.000 0.564 456 A N 0.411 122.756 122.820 -0.791 0.000 2.337 456 A HA 0.775 5.110 4.320 0.026 0.000 0.329 456 A C -0.376 176.711 177.584 -0.830 0.000 1.146 456 A CA -0.745 50.763 52.037 -0.883 0.000 0.800 456 A CB 1.302 19.509 19.000 -1.322 0.000 1.220 456 A HN 1.769 nan 8.150 nan 0.000 0.472 457 V N 1.933 121.581 119.914 -0.444 0.000 2.789 457 V HA 0.847 4.983 4.120 0.026 0.000 0.311 457 V C -1.395 174.637 176.094 -0.103 0.000 1.073 457 V CA -0.442 61.730 62.300 -0.213 0.000 0.921 457 V CB 1.834 33.685 31.823 0.047 0.000 1.009 457 V HN 0.890 nan 8.190 nan 0.000 0.426 458 V N 5.653 125.584 119.914 0.030 0.000 2.760 458 V HA 0.607 4.743 4.120 0.026 0.000 0.309 458 V C -0.526 175.658 176.094 0.149 0.000 1.077 458 V CA -0.538 61.834 62.300 0.120 0.000 0.910 458 V CB 2.078 34.025 31.823 0.207 0.000 1.008 458 V HN 0.853 nan 8.190 nan 0.000 0.424 459 V N 4.632 124.593 119.914 0.078 0.000 2.513 459 V HA 0.644 4.780 4.120 0.026 0.000 0.299 459 V C -0.449 175.689 176.094 0.073 0.000 1.035 459 V CA -0.629 61.667 62.300 -0.007 0.000 0.889 459 V CB 1.977 33.636 31.823 -0.273 0.000 0.988 459 V HN 0.601 nan 8.190 nan 0.000 0.440 460 V N 5.628 125.593 119.914 0.085 0.000 2.483 460 V HA 0.476 4.611 4.120 0.026 0.000 0.297 460 V C -0.667 175.443 176.094 0.027 0.000 1.027 460 V CA -0.522 61.842 62.300 0.106 0.000 0.855 460 V CB 1.704 33.652 31.823 0.209 0.000 0.995 460 V HN 0.686 nan 8.190 nan 0.000 0.424 461 L N 4.831 126.091 121.223 0.062 0.000 2.307 461 L HA 0.707 5.062 4.340 0.026 0.000 0.284 461 L C -0.440 176.476 176.870 0.075 0.000 1.023 461 L CA 0.100 54.986 54.840 0.076 0.000 0.810 461 L CB 1.644 43.804 42.059 0.168 0.000 1.231 461 L HN 0.668 nan 8.230 nan 0.000 0.423 462 N N 3.888 122.630 118.700 0.070 0.000 2.443 462 N HA 0.388 5.143 4.740 0.026 0.000 0.269 462 N C -0.208 175.354 175.510 0.087 0.000 0.985 462 N CA -0.359 52.716 53.050 0.042 0.000 0.921 462 N CB 1.379 39.852 38.487 -0.023 0.000 1.195 462 N HN 0.717 nan 8.380 nan 0.000 0.492 463 R N 0.835 121.366 120.500 0.051 0.000 2.427 463 R HA 0.176 4.531 4.340 0.026 0.000 0.262 463 R C 0.286 176.534 176.300 -0.087 0.000 0.943 463 R CA -0.203 55.946 56.100 0.082 0.000 1.081 463 R CB 0.217 30.564 30.300 0.079 0.000 1.166 463 R HN 0.592 nan 8.270 nan 0.000 0.534 464 S N -0.511 115.065 115.700 -0.208 0.000 2.669 464 S HA 0.101 4.586 4.470 0.026 0.000 0.270 464 S C 1.281 175.461 174.600 -0.699 0.000 1.225 464 S CA -0.542 57.482 58.200 -0.295 0.000 0.991 464 S CB 1.683 64.788 63.200 -0.158 0.000 0.987 464 S HN 0.154 nan 8.310 nan 0.000 0.552 465 S N -0.385 115.006 115.700 -0.515 0.000 2.489 465 S HA 0.078 4.564 4.470 0.026 0.000 0.228 465 S C 0.409 174.862 174.600 -0.245 0.000 0.995 465 S CA 0.159 58.080 58.200 -0.464 0.000 0.934 465 S CB -0.461 62.693 63.200 -0.076 0.000 0.771 465 S HN 0.629 nan 8.310 nan 0.000 0.522 466 K N 1.985 122.275 120.400 -0.184 0.000 2.143 466 K HA 0.317 4.653 4.320 0.026 0.000 0.272 466 K C -1.025 175.521 176.600 -0.089 0.000 1.001 466 K CA -0.689 55.540 56.287 -0.097 0.000 0.915 466 K CB 0.608 33.073 32.500 -0.058 0.000 1.047 466 K HN 0.174 nan 8.250 nan 0.000 0.458 467 D N 1.283 121.653 120.400 -0.049 0.000 2.399 467 D HA 0.102 4.758 4.640 0.026 0.000 0.241 467 D C -0.514 175.778 176.300 -0.013 0.000 1.133 467 D CA 0.034 54.019 54.000 -0.024 0.000 0.890 467 D CB 1.082 41.882 40.800 -0.001 0.000 1.201 467 D HN -0.001 nan 8.370 nan 0.000 0.432 468 V N 4.100 124.014 119.914 0.000 0.000 2.398 468 V HA 0.226 4.362 4.120 0.026 0.000 0.282 468 V C -2.248 173.860 176.094 0.023 0.000 1.014 468 V CA -1.503 60.802 62.300 0.007 0.000 0.838 468 V CB 1.804 33.628 31.823 0.002 0.000 1.018 468 V HN 0.429 nan 8.190 nan 0.000 0.432 469 P HA 0.336 nan 4.420 nan 0.000 0.266 469 P C -0.828 176.479 177.300 0.010 0.000 1.195 469 P CA 0.116 63.231 63.100 0.025 0.000 0.768 469 P CB 1.233 32.949 31.700 0.028 0.000 0.838 470 L N -0.599 120.615 121.223 -0.015 0.000 2.710 470 L HA 0.704 5.060 4.340 0.026 0.000 0.260 470 L C -1.286 175.497 176.870 -0.143 0.000 0.993 470 L CA -0.588 54.218 54.840 -0.057 0.000 0.877 470 L CB 1.804 43.835 42.059 -0.048 0.000 1.461 470 L HN 0.125 nan 8.230 nan 0.000 0.413 471 T N 1.961 116.399 114.554 -0.194 0.000 2.841 471 T HA 0.729 5.094 4.350 0.026 0.000 0.283 471 T C -0.410 174.131 174.700 -0.264 0.000 1.000 471 T CA -0.198 61.731 62.100 -0.285 0.000 0.977 471 T CB 1.501 70.102 68.868 -0.444 0.000 0.979 471 T HN 0.510 nan 8.240 nan 0.000 0.446 472 I N 2.587 122.938 120.570 -0.364 0.000 2.359 472 I HA 0.409 4.594 4.170 0.026 0.000 0.294 472 I C 0.302 176.163 176.117 -0.428 0.000 0.987 472 I CA -0.552 60.529 61.300 -0.364 0.000 1.225 472 I CB 1.258 38.988 38.000 -0.450 0.000 1.366 472 I HN 0.322 nan 8.210 nan 0.000 0.466 473 K N 4.682 124.834 120.400 -0.412 0.000 2.182 473 K HA 0.361 4.697 4.320 0.026 0.000 0.262 473 K C -1.430 174.906 176.600 -0.441 0.000 0.957 473 K CA -0.530 55.362 56.287 -0.658 0.000 0.842 473 K CB 1.214 33.264 32.500 -0.751 0.000 1.099 473 K HN 0.516 nan 8.250 nan 0.000 0.438 474 D N 5.368 125.491 120.400 -0.462 0.000 2.620 474 D HA 0.286 4.942 4.640 0.026 0.000 0.252 474 D C -2.083 174.103 176.300 -0.190 0.000 1.207 474 D CA -2.351 51.529 54.000 -0.201 0.000 0.884 474 D CB 2.099 42.867 40.800 -0.054 0.000 1.262 474 D HN 0.199 nan 8.370 nan 0.000 0.552 475 P HA -0.160 nan 4.420 nan 0.000 0.215 475 P C 1.066 178.352 177.300 -0.023 0.000 1.163 475 P CA 1.931 64.988 63.100 -0.071 0.000 0.894 475 P CB 0.200 31.882 31.700 -0.029 0.000 0.791 476 A N -1.358 121.471 122.820 0.015 0.000 2.131 476 A HA -0.093 4.243 4.320 0.026 0.000 0.220 476 A C 1.843 179.452 177.584 0.042 0.000 1.158 476 A CA 2.253 54.315 52.037 0.041 0.000 0.665 476 A CB -1.051 17.991 19.000 0.069 0.000 0.795 476 A HN 0.255 nan 8.150 nan 0.000 0.460 477 V N -6.785 113.135 119.914 0.009 0.000 3.180 477 V HA 0.623 4.759 4.120 0.026 0.000 0.246 477 V C 0.972 177.041 176.094 -0.042 0.000 1.545 477 V CA 0.614 62.913 62.300 -0.002 0.000 1.138 477 V CB -0.490 31.338 31.823 0.009 0.000 0.978 477 V HN 1.513 nan 8.190 nan 0.000 0.437 478 G N 0.703 109.424 108.800 -0.131 0.000 2.247 478 G HA2 0.215 4.190 3.960 0.026 0.000 0.229 478 G HA3 0.215 4.190 3.960 0.026 0.000 0.229 478 G C -1.590 173.153 174.900 -0.262 0.000 1.345 478 G CA -0.257 44.808 45.100 -0.057 0.000 1.100 478 G HN 0.333 nan 8.290 nan 0.000 0.473 479 F N 0.980 120.825 119.950 -0.174 0.000 2.480 479 F HA 0.779 5.320 4.527 0.023 0.000 0.329 479 F C 0.499 176.129 175.800 -0.284 0.000 1.091 479 F CA -0.931 56.926 58.000 -0.237 0.000 0.972 479 F CB 1.928 40.822 39.000 -0.177 0.000 1.150 479 F HN 0.353 nan 8.300 nan 0.000 0.467 480 L N 2.253 123.310 121.223 -0.278 0.000 2.325 480 L HA 0.567 4.922 4.340 0.026 0.000 0.281 480 L C -0.674 175.980 176.870 -0.360 0.000 1.004 480 L CA -0.649 53.937 54.840 -0.424 0.000 0.823 480 L CB 1.636 43.124 42.059 -0.951 0.000 1.236 480 L HN 0.606 nan 8.230 nan 0.000 0.415 481 E N 1.712 121.809 120.200 -0.172 0.000 2.179 481 E HA 0.639 5.005 4.350 0.026 0.000 0.275 481 E C -0.559 176.010 176.600 -0.052 0.000 0.945 481 E CA -0.250 56.075 56.400 -0.125 0.000 0.792 481 E CB 2.647 32.316 29.700 -0.052 0.000 1.125 481 E HN 0.592 nan 8.360 nan 0.000 0.397 482 T N 1.810 116.330 114.554 -0.058 0.000 2.711 482 T HA 0.569 4.935 4.350 0.026 0.000 0.302 482 T C -1.700 173.044 174.700 0.073 0.000 1.373 482 T CA -0.506 61.618 62.100 0.040 0.000 1.000 482 T CB 0.769 69.645 68.868 0.014 0.000 1.483 482 T HN 0.338 nan 8.240 nan 0.000 0.499 483 I N 1.704 122.369 120.570 0.158 0.000 2.689 483 I HA 0.523 4.708 4.170 0.026 0.000 0.299 483 I C -0.181 176.105 176.117 0.281 0.000 1.059 483 I CA -0.915 60.479 61.300 0.156 0.000 1.055 483 I CB 2.272 40.342 38.000 0.117 0.000 1.243 483 I HN 0.533 nan 8.210 nan 0.000 0.425 484 S N 6.339 122.135 115.700 0.160 0.000 2.434 484 S HA 0.466 4.952 4.470 0.026 0.000 0.318 484 S C -2.467 172.128 174.600 -0.009 0.000 1.062 484 S CA -1.596 56.625 58.200 0.034 0.000 1.116 484 S CB 0.310 63.504 63.200 -0.009 0.000 0.977 484 S HN 0.191 nan 8.310 nan 0.000 0.480 485 P HA 0.111 nan 4.420 nan 0.000 0.265 485 P C 0.385 177.654 177.300 -0.053 0.000 1.187 485 P CA 0.170 63.264 63.100 -0.011 0.000 0.766 485 P CB 0.274 31.986 31.700 0.019 0.000 0.820 486 G N 2.496 111.252 108.800 -0.074 0.000 2.414 486 G HA2 0.044 4.019 3.960 0.026 0.000 0.236 486 G HA3 0.044 4.019 3.960 0.026 0.000 0.236 486 G C -0.633 174.211 174.900 -0.094 0.000 1.293 486 G CA -0.205 44.785 45.100 -0.184 0.000 0.869 486 G HN 0.610 nan 8.290 nan 0.000 0.556 487 Y N -0.220 120.133 120.300 0.089 0.000 3.125 487 Y HA -0.255 4.311 4.550 0.026 0.000 0.200 487 Y C 1.220 177.198 175.900 0.130 0.000 1.373 487 Y CA 0.443 58.654 58.100 0.186 0.000 1.180 487 Y CB -1.915 36.528 38.460 -0.028 0.000 1.381 487 Y HN 0.921 nan 8.280 nan 0.000 0.501 488 S N 0.032 115.885 115.700 0.255 0.000 2.667 488 S HA 0.908 5.394 4.470 0.026 0.000 0.292 488 S C -0.737 173.935 174.600 0.120 0.000 1.126 488 S CA -0.766 57.518 58.200 0.140 0.000 0.881 488 S CB 3.304 66.408 63.200 -0.160 0.000 1.132 488 S HN 0.547 nan 8.310 nan 0.000 0.492 489 I N 0.517 121.074 120.570 -0.022 0.000 2.569 489 I HA 0.566 4.751 4.170 0.026 0.000 0.290 489 I C -1.552 174.350 176.117 -0.358 0.000 1.088 489 I CA -0.461 60.678 61.300 -0.268 0.000 1.047 489 I CB 1.672 39.386 38.000 -0.478 0.000 1.237 489 I HN 0.926 nan 8.210 nan 0.000 0.421 490 H N 4.077 122.971 119.070 -0.292 0.000 2.622 490 H HA 0.578 5.143 4.556 0.014 0.000 0.363 490 H C -0.985 174.161 175.328 -0.303 0.000 1.151 490 H CA -1.041 54.825 56.048 -0.303 0.000 1.184 490 H CB 2.227 31.811 29.762 -0.297 0.000 1.643 490 H HN 0.462 nan 8.280 nan 0.000 0.531 491 T N 2.679 117.184 114.554 -0.082 0.000 2.809 491 T HA 0.248 4.613 4.350 0.026 0.000 0.284 491 T C -1.128 173.448 174.700 -0.206 0.000 0.992 491 T CA -0.734 61.327 62.100 -0.065 0.000 0.957 491 T CB 0.294 69.199 68.868 0.063 0.000 0.942 491 T HN 0.309 nan 8.240 nan 0.000 0.439 492 Y N 2.701 123.049 120.300 0.079 0.000 2.330 492 Y HA 0.648 5.207 4.550 0.015 0.000 0.336 492 Y C -0.187 175.787 175.900 0.124 0.000 1.036 492 Y CA -1.271 56.924 58.100 0.158 0.000 1.125 492 Y CB 0.860 39.439 38.460 0.199 0.000 1.194 492 Y HN 0.417 nan 8.280 nan 0.000 0.469 493 L N 3.469 124.866 121.223 0.291 0.000 2.362 493 L HA 0.666 5.021 4.340 0.026 0.000 0.271 493 L C -1.103 176.002 176.870 0.392 0.000 1.002 493 L CA -0.696 54.211 54.840 0.110 0.000 0.818 493 L CB 1.383 43.438 42.059 -0.005 0.000 1.298 493 L HN 0.758 nan 8.230 nan 0.000 0.420 494 W N -0.256 121.108 121.300 0.107 0.000 3.296 494 W HA 0.592 5.268 4.660 0.027 0.000 0.314 494 W C -0.958 175.621 176.519 0.100 0.000 1.238 494 W CA -0.873 56.566 57.345 0.157 0.000 1.193 494 W CB 0.256 29.820 29.460 0.172 0.000 1.383 494 W HN 0.332 nan 8.180 nan 0.000 0.545 495 H N 1.553 120.754 119.070 0.218 0.000 2.790 495 H HA 0.327 4.898 4.556 0.025 0.000 0.358 495 H C 1.032 176.504 175.328 0.239 0.000 1.103 495 H CA 0.648 56.761 56.048 0.108 0.000 1.426 495 H CB 1.297 31.119 29.762 0.101 0.000 1.424 495 H HN 0.527 nan 8.280 nan 0.000 0.599 496 R N 0.835 121.416 120.500 0.136 0.000 2.373 496 R HA 0.096 4.452 4.340 0.026 0.000 0.221 496 R C -0.321 176.053 176.300 0.125 0.000 0.893 496 R CA 0.137 56.340 56.100 0.172 0.000 1.049 496 R CB 0.620 30.970 30.300 0.084 0.000 1.119 496 R HN 0.790 nan 8.270 nan 0.000 0.535 497 Q N 0.000 119.867 119.800 0.112 0.000 2.315 497 Q HA 0.000 4.356 4.340 0.026 0.000 0.214 497 Q CA 0.000 55.855 55.803 0.087 0.000 1.022 497 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481