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 3gxm_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 0.000 177.543 177.584 -0.068 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 19.009 19.000 0.015 0.000 0.831 2 R N 3.184 123.599 120.500 -0.141 0.000 2.494 2 R HA 0.671 5.026 4.340 0.024 0.000 0.305 2 R C -2.859 173.390 176.300 -0.086 0.000 0.959 2 R CA -1.801 54.214 56.100 -0.142 0.000 0.864 2 R CB 2.560 32.583 30.300 -0.462 0.000 1.159 2 R HN 0.527 nan 8.270 nan 0.000 0.446 3 P HA 0.044 nan 4.420 nan 0.000 0.276 3 P C 0.055 177.411 177.300 0.095 0.000 1.261 3 P CA -0.636 62.481 63.100 0.030 0.000 0.800 3 P CB 0.742 32.465 31.700 0.039 0.000 1.066 4 c N 2.264 120.878 118.600 0.024 0.000 2.611 4 c HA 0.165 4.749 4.570 0.024 0.000 0.416 4 c C 0.715 174.833 174.090 0.048 0.000 1.366 4 c CA -0.133 56.219 56.329 0.038 0.000 1.761 4 c CB -2.151 40.337 42.510 -0.037 0.000 2.619 4 c HN 0.342 nan 8.230 nan 0.000 0.606 5 I N 9.176 129.776 120.570 0.051 0.000 2.287 5 I HA 0.282 4.467 4.170 0.024 0.000 0.290 5 I C -1.650 174.467 176.117 -0.000 0.000 1.069 5 I CA -1.435 59.845 61.300 -0.034 0.000 1.237 5 I CB 0.967 38.882 38.000 -0.140 0.000 1.418 5 I HN 0.611 nan 8.210 nan 0.000 0.481 6 P HA 0.130 nan 4.420 nan 0.000 0.276 6 P C -0.969 176.334 177.300 0.005 0.000 1.235 6 P CA -0.381 62.726 63.100 0.012 0.000 0.772 6 P CB 1.113 32.808 31.700 -0.009 0.000 0.871 7 K N 1.627 122.051 120.400 0.041 0.000 2.422 7 K HA 0.476 4.811 4.320 0.024 0.000 0.251 7 K C -0.818 175.782 176.600 -0.000 0.000 0.933 7 K CA -0.656 55.617 56.287 -0.023 0.000 0.798 7 K CB 1.942 34.422 32.500 -0.034 0.000 1.238 7 K HN 0.316 nan 8.250 nan 0.000 0.428 8 S N 2.125 117.748 115.700 -0.128 0.000 2.608 8 S HA 0.587 5.072 4.470 0.024 0.000 0.291 8 S C -0.625 173.803 174.600 -0.286 0.000 1.146 8 S CA -0.499 57.660 58.200 -0.070 0.000 1.043 8 S CB 0.397 63.550 63.200 -0.079 0.000 1.037 8 S HN 0.552 nan 8.310 nan 0.000 0.520 9 F N 1.187 121.121 119.950 -0.026 0.000 2.859 9 F HA 0.371 4.912 4.527 0.023 0.000 0.324 9 F C 1.396 177.104 175.800 -0.154 0.000 1.158 9 F CA 0.161 58.140 58.000 -0.036 0.000 1.147 9 F CB 0.867 39.899 39.000 0.053 0.000 1.137 9 F HN 0.857 nan 8.300 nan 0.000 0.516 10 G N -0.499 108.265 108.800 -0.061 0.000 2.175 10 G HA2 -0.305 3.670 3.960 0.024 0.000 0.244 10 G HA3 -0.305 3.670 3.960 0.024 0.000 0.244 10 G C 0.053 174.751 174.900 -0.338 0.000 0.982 10 G CA -0.207 44.752 45.100 -0.235 0.000 0.641 10 G HN 0.333 nan 8.290 nan 0.000 0.527 11 Y N 0.656 120.999 120.300 0.073 0.000 2.453 11 Y HA 0.467 5.031 4.550 0.023 0.000 0.344 11 Y C 2.235 178.166 175.900 0.051 0.000 1.323 11 Y CA 0.225 58.361 58.100 0.060 0.000 1.526 11 Y CB 0.483 38.982 38.460 0.065 0.000 1.603 11 Y HN 0.211 nan 8.280 nan 0.000 0.563 12 S N -1.385 114.465 115.700 0.250 0.000 2.481 12 S HA 0.034 4.519 4.470 0.024 0.000 0.231 12 S C 0.628 175.288 174.600 0.098 0.000 0.996 12 S CA 0.788 59.063 58.200 0.126 0.000 0.942 12 S CB -0.113 63.151 63.200 0.107 0.000 0.768 12 S HN 0.451 nan 8.310 nan 0.000 0.520 13 S N -0.584 115.221 115.700 0.174 0.000 2.776 13 S HA 0.675 5.160 4.470 0.024 0.000 0.292 13 S C -0.876 173.832 174.600 0.179 0.000 1.187 13 S CA -0.294 57.995 58.200 0.149 0.000 0.834 13 S CB 1.151 64.499 63.200 0.247 0.000 1.199 13 S HN 0.692 nan 8.310 nan 0.000 0.514 14 V N 0.828 120.837 119.914 0.158 0.000 2.966 14 V HA 0.930 5.065 4.120 0.024 0.000 0.317 14 V C 0.353 176.569 176.094 0.205 0.000 1.070 14 V CA -0.492 61.901 62.300 0.155 0.000 1.008 14 V CB 0.899 32.773 31.823 0.084 0.000 1.070 14 V HN 0.904 nan 8.190 nan 0.000 0.457 15 V N -1.021 119.019 119.914 0.210 0.000 3.096 15 V HA 0.698 4.833 4.120 0.024 0.000 0.319 15 V C 0.004 176.222 176.094 0.206 0.000 1.082 15 V CA -0.590 61.845 62.300 0.224 0.000 1.022 15 V CB 1.329 33.268 31.823 0.194 0.000 1.103 15 V HN 1.073 nan 8.190 nan 0.000 0.455 16 c N 1.798 120.530 118.600 0.220 0.000 2.303 16 c HA 0.715 5.300 4.570 0.024 0.000 0.326 16 c C 0.162 174.317 174.090 0.107 0.000 1.285 16 c CA -0.602 55.816 56.329 0.148 0.000 1.675 16 c CB 0.310 42.915 42.510 0.159 0.000 2.289 16 c HN 0.747 nan 8.230 nan 0.000 0.512 17 V N 2.933 122.897 119.914 0.083 0.000 2.407 17 V HA 0.421 4.556 4.120 0.024 0.000 0.278 17 V C 0.134 176.118 176.094 -0.183 0.000 1.037 17 V CA -0.168 62.152 62.300 0.033 0.000 0.900 17 V CB 0.754 32.651 31.823 0.122 0.000 0.983 17 V HN 1.064 nan 8.190 nan 0.000 0.459 18 c N 5.182 123.457 118.600 -0.541 0.000 2.614 18 c HA 0.822 5.407 4.570 0.024 0.000 0.320 18 c C 0.212 173.898 174.090 -0.672 0.000 1.200 18 c CA -0.710 55.184 56.329 -0.724 0.000 1.700 18 c CB 1.509 43.163 42.510 -1.426 0.000 2.275 18 c HN 1.096 nan 8.230 nan 0.000 0.492 19 N N 0.334 118.844 118.700 -0.318 0.000 3.479 19 N HA 0.580 5.335 4.740 0.024 0.000 0.336 19 N C 0.347 175.860 175.510 0.004 0.000 1.623 19 N CA -0.126 52.846 53.050 -0.130 0.000 0.759 19 N CB 0.227 38.668 38.487 -0.076 0.000 2.016 19 N HN 0.489 nan 8.380 nan 0.000 0.637 20 A N -1.199 121.641 122.820 0.035 0.000 2.015 20 A HA -0.022 4.313 4.320 0.024 0.000 0.219 20 A C 1.546 179.160 177.584 0.051 0.000 1.163 20 A CA 2.327 54.398 52.037 0.057 0.000 0.646 20 A CB -1.326 17.699 19.000 0.042 0.000 0.806 20 A HN 0.861 nan 8.150 nan 0.000 0.448 21 T N -6.121 108.464 114.554 0.052 0.000 2.985 21 T HA 0.329 4.694 4.350 0.024 0.000 0.254 21 T C -0.001 174.760 174.700 0.102 0.000 1.021 21 T CA 0.050 62.188 62.100 0.064 0.000 0.957 21 T CB -0.106 68.798 68.868 0.061 0.000 1.047 21 T HN 0.302 nan 8.240 nan 0.000 0.511 22 Y N 0.205 120.471 120.300 -0.056 0.000 2.396 22 Y HA 0.573 5.137 4.550 0.023 0.000 0.332 22 Y C -1.600 174.226 175.900 -0.123 0.000 1.034 22 Y CA -1.498 56.557 58.100 -0.075 0.000 1.057 22 Y CB 1.811 40.224 38.460 -0.078 0.000 1.220 22 Y HN 0.265 nan 8.280 nan 0.000 0.440 23 c N 7.079 125.405 118.600 -0.456 0.000 2.782 23 c HA 0.363 4.948 4.570 0.024 0.000 0.328 23 c C -1.241 172.575 174.090 -0.457 0.000 1.145 23 c CA -0.881 55.260 56.329 -0.314 0.000 1.358 23 c CB 0.561 42.987 42.510 -0.140 0.000 1.841 23 c HN 0.923 nan 8.230 nan 0.000 0.477 24 D N 3.575 123.827 120.400 -0.247 0.000 2.488 24 D HA 0.322 4.977 4.640 0.024 0.000 0.238 24 D C -0.024 176.124 176.300 -0.254 0.000 1.138 24 D CA 0.481 54.351 54.000 -0.216 0.000 0.873 24 D CB 0.890 41.641 40.800 -0.083 0.000 1.183 24 D HN 0.743 nan 8.370 nan 0.000 0.458 25 S N 0.378 115.897 115.700 -0.302 0.000 2.671 25 S HA 0.705 5.190 4.470 0.024 0.000 0.277 25 S C -1.006 173.380 174.600 -0.355 0.000 1.165 25 S CA -1.042 56.997 58.200 -0.268 0.000 0.822 25 S CB 1.077 64.195 63.200 -0.136 0.000 1.150 25 S HN 0.387 nan 8.310 nan 0.000 0.479 26 F N 0.784 120.754 119.950 0.034 0.000 2.541 26 F HA 0.516 5.056 4.527 0.022 0.000 0.331 26 F C 0.780 176.603 175.800 0.038 0.000 1.057 26 F CA -0.759 57.276 58.000 0.059 0.000 0.975 26 F CB 1.066 40.106 39.000 0.066 0.000 1.246 26 F HN 0.525 nan 8.300 nan 0.000 0.484 27 D N 1.115 121.679 120.400 0.274 0.000 2.383 27 D HA 0.221 4.876 4.640 0.024 0.000 0.248 27 D C -2.325 174.061 176.300 0.142 0.000 1.170 27 D CA -0.960 53.133 54.000 0.156 0.000 0.977 27 D CB 0.592 41.463 40.800 0.119 0.000 1.120 27 D HN 0.083 nan 8.370 nan 0.000 0.481 28 P HA 0.096 nan 4.420 nan 0.000 0.265 28 P C -2.344 174.971 177.300 0.025 0.000 1.193 28 P CA -0.694 62.435 63.100 0.048 0.000 0.765 28 P CB -0.375 31.348 31.700 0.037 0.000 0.823 29 P HA 0.062 nan 4.420 nan 0.000 0.267 29 P C -0.751 176.452 177.300 -0.162 0.000 1.209 29 P CA 0.310 63.363 63.100 -0.078 0.000 0.763 29 P CB 0.199 31.813 31.700 -0.143 0.000 0.816 30 T N 1.835 116.318 114.554 -0.120 0.000 2.829 30 T HA 0.497 4.862 4.350 0.024 0.000 0.280 30 T C 0.097 174.688 174.700 -0.180 0.000 0.999 30 T CA -0.580 61.428 62.100 -0.153 0.000 0.983 30 T CB 0.536 69.403 68.868 -0.002 0.000 0.968 30 T HN 0.046 nan 8.240 nan 0.000 0.446 31 F N 3.444 123.421 119.950 0.044 0.000 2.578 31 F HA 0.319 4.860 4.527 0.024 0.000 0.376 31 F C -1.308 174.430 175.800 -0.103 0.000 1.085 31 F CA -1.772 56.204 58.000 -0.040 0.000 1.260 31 F CB -0.268 38.621 39.000 -0.184 0.000 1.095 31 F HN 0.335 nan 8.300 nan 0.000 0.573 32 P HA 0.260 nan 4.420 nan 0.000 0.278 32 P C -0.793 176.488 177.300 -0.031 0.000 1.238 32 P CA -0.533 62.587 63.100 0.034 0.000 0.794 32 P CB 0.879 32.631 31.700 0.087 0.000 0.955 33 A N 3.067 125.876 122.820 -0.018 0.000 2.531 33 A HA 0.085 4.420 4.320 0.024 0.000 0.236 33 A C 0.347 177.939 177.584 0.013 0.000 1.062 33 A CA -0.269 51.756 52.037 -0.021 0.000 0.760 33 A CB -0.479 18.514 19.000 -0.011 0.000 0.995 33 A HN 0.601 nan 8.150 nan 0.000 0.501 34 L N 2.301 123.538 121.223 0.023 0.000 2.578 34 L HA 0.356 4.710 4.340 0.024 0.000 0.279 34 L C 1.473 178.385 176.870 0.071 0.000 1.227 34 L CA 2.080 56.968 54.840 0.080 0.000 0.900 34 L CB -0.081 42.023 42.059 0.075 0.000 1.144 34 L HN 1.582 nan 8.230 nan 0.000 0.496 35 G N 1.955 110.813 108.800 0.096 0.000 2.175 35 G HA2 -0.229 3.746 3.960 0.024 0.000 0.244 35 G HA3 -0.229 3.746 3.960 0.024 0.000 0.244 35 G C 0.306 175.239 174.900 0.055 0.000 0.982 35 G CA 0.479 45.618 45.100 0.067 0.000 0.641 35 G HN 1.123 nan 8.290 nan 0.000 0.527 36 T N -1.232 113.363 114.554 0.068 0.000 2.906 36 T HA 0.786 5.151 4.350 0.024 0.000 0.295 36 T C -0.385 174.390 174.700 0.126 0.000 1.075 36 T CA -0.384 61.721 62.100 0.009 0.000 1.005 36 T CB 2.398 71.217 68.868 -0.081 0.000 1.136 36 T HN 1.478 nan 8.240 nan 0.000 0.498 37 F N -0.274 119.720 119.950 0.075 0.000 2.522 37 F HA 0.852 5.386 4.527 0.012 0.000 0.324 37 F C -0.317 175.556 175.800 0.122 0.000 1.077 37 F CA -1.164 56.934 58.000 0.165 0.000 0.944 37 F CB 1.473 40.556 39.000 0.139 0.000 1.175 37 F HN 0.544 nan 8.300 nan 0.000 0.468 38 S N 2.597 118.508 115.700 0.351 0.000 2.508 38 S HA 0.489 4.974 4.470 0.024 0.000 0.284 38 S C -0.558 174.186 174.600 0.240 0.000 1.192 38 S CA -0.788 57.504 58.200 0.153 0.000 1.070 38 S CB 0.838 64.095 63.200 0.095 0.000 1.004 38 S HN 0.725 nan 8.310 nan 0.000 0.493 39 R N 2.488 122.990 120.500 0.002 0.000 2.562 39 R HA 0.424 4.779 4.340 0.024 0.000 0.298 39 R C -1.910 174.153 176.300 -0.395 0.000 0.961 39 R CA -0.463 55.522 56.100 -0.191 0.000 0.881 39 R CB 0.843 31.061 30.300 -0.137 0.000 1.159 39 R HN 0.609 nan 8.270 nan 0.000 0.450 40 Y N 1.530 121.636 120.300 -0.324 0.000 2.341 40 Y HA 0.304 4.870 4.550 0.027 0.000 0.338 40 Y C -0.078 175.805 175.900 -0.029 0.000 0.965 40 Y CA -0.579 57.420 58.100 -0.168 0.000 1.108 40 Y CB 1.990 40.319 38.460 -0.219 0.000 1.180 40 Y HN 0.540 nan 8.280 nan 0.000 0.458 41 E N 1.685 121.986 120.200 0.168 0.000 2.222 41 E HA 0.682 5.046 4.350 0.024 0.000 0.267 41 E C -1.374 175.436 176.600 0.350 0.000 0.884 41 E CA -0.555 55.998 56.400 0.255 0.000 0.764 41 E CB 1.259 30.981 29.700 0.037 0.000 1.169 41 E HN 0.590 nan 8.360 nan 0.000 0.413 42 S N 1.840 117.792 115.700 0.420 0.000 2.557 42 S HA 0.539 5.023 4.470 0.024 0.000 0.291 42 S C -0.902 173.891 174.600 0.322 0.000 1.116 42 S CA -0.751 57.677 58.200 0.380 0.000 0.992 42 S CB 1.755 65.282 63.200 0.544 0.000 1.028 42 S HN 0.645 nan 8.310 nan 0.000 0.484 43 T N -0.704 113.883 114.554 0.056 0.000 2.906 43 T HA 0.501 4.866 4.350 0.024 0.000 0.295 43 T C 0.804 174.929 174.700 -0.957 0.000 1.075 43 T CA -0.954 60.956 62.100 -0.317 0.000 1.005 43 T CB 1.703 70.485 68.868 -0.144 0.000 1.136 43 T HN 0.432 nan 8.240 nan 0.000 0.498 44 R N 0.790 120.440 120.500 -1.418 0.000 2.096 44 R HA -0.115 4.240 4.340 0.024 0.000 0.235 44 R C 2.291 178.276 176.300 -0.524 0.000 1.127 44 R CA 2.156 57.452 56.100 -1.339 0.000 0.968 44 R CB -0.809 28.795 30.300 -1.160 0.000 0.861 44 R HN 0.851 nan 8.270 nan 0.000 0.440 45 S N -1.379 114.114 115.700 -0.345 0.000 2.420 45 S HA -0.060 4.424 4.470 0.024 0.000 0.237 45 S C 1.412 175.933 174.600 -0.132 0.000 1.023 45 S CA 1.196 59.291 58.200 -0.176 0.000 0.991 45 S CB 0.024 63.155 63.200 -0.115 0.000 0.792 45 S HN 0.602 nan 8.310 nan 0.000 0.488 46 G N 0.478 109.188 108.800 -0.150 0.000 2.321 46 G HA2 -0.079 3.896 3.960 0.024 0.000 0.174 46 G HA3 -0.079 3.896 3.960 0.024 0.000 0.174 46 G C -0.110 174.752 174.900 -0.063 0.000 1.008 46 G CA -0.753 44.297 45.100 -0.084 0.000 0.739 46 G HN 0.400 nan 8.290 nan 0.000 0.502 47 R N 0.668 121.134 120.500 -0.057 0.000 2.491 47 R HA 0.517 4.872 4.340 0.024 0.000 0.283 47 R C -0.407 175.887 176.300 -0.010 0.000 1.072 47 R CA -0.121 55.968 56.100 -0.019 0.000 1.048 47 R CB 0.584 30.893 30.300 0.015 0.000 0.983 47 R HN 0.033 nan 8.270 nan 0.000 0.450 48 R N 3.638 124.105 120.500 -0.055 0.000 2.412 48 R HA 0.222 4.577 4.340 0.024 0.000 0.304 48 R C 0.224 176.538 176.300 0.024 0.000 1.066 48 R CA -0.605 55.390 56.100 -0.176 0.000 0.923 48 R CB 0.936 30.916 30.300 -0.532 0.000 1.156 48 R HN 0.761 nan 8.270 nan 0.000 0.513 49 M N 0.704 120.432 119.600 0.213 0.000 2.169 49 M HA -0.250 4.244 4.480 0.024 0.000 0.196 49 M C -0.268 176.283 176.300 0.419 0.000 0.355 49 M CA 1.240 56.766 55.300 0.377 0.000 0.396 49 M CB -1.089 31.830 32.600 0.533 0.000 1.125 49 M HN 0.433 nan 8.290 nan 0.000 0.939 50 E N 1.126 121.447 120.200 0.203 0.000 2.324 50 E HA 0.257 4.622 4.350 0.024 0.000 0.271 50 E C -0.369 176.187 176.600 -0.074 0.000 1.028 50 E CA -0.395 56.050 56.400 0.075 0.000 0.890 50 E CB 0.984 30.693 29.700 0.016 0.000 1.004 50 E HN 0.286 nan 8.360 nan 0.000 0.431 51 L N 3.665 124.772 121.223 -0.194 0.000 2.290 51 L HA 0.187 4.541 4.340 0.024 0.000 0.284 51 L C -0.335 176.357 176.870 -0.297 0.000 1.078 51 L CA 0.279 54.811 54.840 -0.512 0.000 0.815 51 L CB 0.899 42.644 42.059 -0.524 0.000 1.162 51 L HN 0.464 nan 8.230 nan 0.000 0.435 52 S N 5.756 121.272 115.700 -0.307 0.000 2.667 52 S HA 0.839 5.324 4.470 0.024 0.000 0.292 52 S C -0.685 173.778 174.600 -0.230 0.000 1.126 52 S CA -0.953 57.124 58.200 -0.206 0.000 0.881 52 S CB 1.807 64.923 63.200 -0.140 0.000 1.132 52 S HN 0.817 nan 8.310 nan 0.000 0.492 53 M N 1.251 120.704 119.600 -0.245 0.000 2.446 53 M HA 0.693 5.188 4.480 0.024 0.000 0.294 53 M C -0.822 175.159 176.300 -0.532 0.000 1.158 53 M CA -0.030 55.045 55.300 -0.376 0.000 0.899 53 M CB 1.496 33.940 32.600 -0.260 0.000 1.687 53 M HN 1.140 nan 8.290 nan 0.000 0.455 54 G N 3.496 111.633 108.800 -1.104 0.000 2.766 54 G HA2 0.849 4.824 3.960 0.024 0.000 0.288 54 G HA3 0.849 4.824 3.960 0.024 0.000 0.288 54 G C -3.318 171.131 174.900 -0.752 0.000 1.408 54 G CA -0.953 43.605 45.100 -0.903 0.000 0.852 54 G HN 0.473 nan 8.290 nan 0.000 0.487 55 P HA 0.416 nan 4.420 nan 0.000 0.284 55 P C -0.513 176.875 177.300 0.146 0.000 1.253 55 P CA -0.358 62.719 63.100 -0.037 0.000 0.800 55 P CB 1.708 33.406 31.700 -0.003 0.000 0.961 56 I N 3.149 123.786 120.570 0.112 0.000 2.291 56 I HA 0.123 4.308 4.170 0.024 0.000 0.292 56 I C 1.202 177.365 176.117 0.076 0.000 1.064 56 I CA -0.554 60.799 61.300 0.089 0.000 1.269 56 I CB 0.275 38.279 38.000 0.007 0.000 1.418 56 I HN 0.158 nan 8.210 nan 0.000 0.485 57 Q N 4.530 124.392 119.800 0.103 0.000 2.417 57 Q HA 0.214 4.568 4.340 0.024 0.000 0.241 57 Q C 0.926 177.028 176.000 0.170 0.000 1.008 57 Q CA -0.137 55.732 55.803 0.109 0.000 0.901 57 Q CB 1.138 29.929 28.738 0.089 0.000 1.259 57 Q HN 0.800 nan 8.270 nan 0.000 0.489 58 A N 1.968 124.864 122.820 0.128 0.000 2.030 58 A HA -0.029 4.305 4.320 0.024 0.000 0.215 58 A C 0.713 178.424 177.584 0.212 0.000 1.164 58 A CA 1.305 53.436 52.037 0.157 0.000 0.697 58 A CB -0.177 18.874 19.000 0.084 0.000 0.827 58 A HN 0.899 nan 8.150 nan 0.000 0.457 59 N N -2.260 116.460 118.700 0.033 0.000 2.697 59 N HA 0.466 5.221 4.740 0.024 0.000 0.272 59 N C -0.939 174.191 175.510 -0.633 0.000 1.381 59 N CA -0.748 52.157 53.050 -0.242 0.000 0.797 59 N CB 1.035 39.445 38.487 -0.129 0.000 1.523 59 N HN 0.177 nan 8.380 nan 0.000 0.518 60 H N -0.704 117.798 119.070 -0.947 0.000 3.029 60 H HA 0.364 4.932 4.556 0.021 0.000 0.358 60 H C -1.854 173.225 175.328 -0.415 0.000 1.129 60 H CA -0.538 55.038 56.048 -0.786 0.000 1.230 60 H CB 1.902 30.905 29.762 -1.265 0.000 1.827 60 H HN 0.906 nan 8.280 nan 0.000 0.530 61 T N 1.602 115.676 114.554 -0.799 0.000 2.887 61 T HA 0.736 5.100 4.350 0.024 0.000 0.288 61 T C 0.256 174.559 174.700 -0.662 0.000 1.021 61 T CA -0.235 61.483 62.100 -0.637 0.000 1.000 61 T CB 1.970 70.655 68.868 -0.305 0.000 1.034 61 T HN 1.090 nan 8.240 nan 0.000 0.467 62 G N 0.700 109.248 108.800 -0.421 0.000 2.375 62 G HA2 0.406 4.380 3.960 0.024 0.000 0.663 62 G HA3 0.406 4.380 3.960 0.024 0.000 0.663 62 G C 0.210 175.035 174.900 -0.124 0.000 1.391 62 G CA 0.335 45.311 45.100 -0.207 0.000 0.949 62 G HN 2.558 nan 8.290 nan 0.000 0.646 63 T N -3.454 111.088 114.554 -0.019 0.000 13.111 63 T HA -0.065 4.299 4.350 0.024 0.000 0.409 63 T C 2.454 177.177 174.700 0.039 0.000 1.518 63 T CA 1.871 63.973 62.100 0.003 0.000 2.479 63 T CB -1.648 67.209 68.868 -0.019 0.000 2.698 63 T HN 2.583 nan 8.240 nan 0.000 0.544 64 G N 1.994 110.839 108.800 0.075 0.000 2.616 64 G HA2 0.555 4.529 3.960 0.024 0.000 0.268 64 G HA3 0.555 4.529 3.960 0.024 0.000 0.268 64 G C -0.116 174.830 174.900 0.077 0.000 1.213 64 G CA -0.276 44.870 45.100 0.077 0.000 0.926 64 G HN 1.052 nan 8.290 nan 0.000 0.523 65 L N -0.224 121.023 121.223 0.039 0.000 2.455 65 L HA 0.446 4.801 4.340 0.024 0.000 0.272 65 L C -0.408 176.461 176.870 -0.001 0.000 1.174 65 L CA -0.145 54.707 54.840 0.021 0.000 0.869 65 L CB 0.819 42.882 42.059 0.006 0.000 1.130 65 L HN 0.315 nan 8.230 nan 0.000 0.474 66 L N 6.346 127.573 121.223 0.007 0.000 2.372 66 L HA 0.493 4.848 4.340 0.024 0.000 0.273 66 L C -1.276 175.581 176.870 -0.022 0.000 0.989 66 L CA -0.198 54.630 54.840 -0.019 0.000 0.841 66 L CB 1.302 43.390 42.059 0.047 0.000 1.225 66 L HN 0.522 nan 8.230 nan 0.000 0.414 67 L N 4.968 126.157 121.223 -0.057 0.000 2.260 67 L HA 0.474 4.829 4.340 0.024 0.000 0.289 67 L C -0.162 176.680 176.870 -0.046 0.000 1.057 67 L CA -0.319 54.498 54.840 -0.038 0.000 0.811 67 L CB 1.140 43.175 42.059 -0.039 0.000 1.184 67 L HN 0.586 nan 8.230 nan 0.000 0.429 68 T N 4.031 118.574 114.554 -0.019 0.000 2.758 68 T HA 0.359 4.724 4.350 0.024 0.000 0.285 68 T C -0.156 174.548 174.700 0.007 0.000 0.981 68 T CA -0.525 61.559 62.100 -0.026 0.000 0.965 68 T CB 1.685 70.543 68.868 -0.018 0.000 0.927 68 T HN 0.216 nan 8.240 nan 0.000 0.448 69 L N 3.724 124.956 121.223 0.015 0.000 2.410 69 L HA 0.219 4.574 4.340 0.024 0.000 0.273 69 L C 0.226 177.120 176.870 0.041 0.000 1.152 69 L CA 0.478 55.355 54.840 0.061 0.000 0.855 69 L CB 0.488 42.620 42.059 0.122 0.000 1.129 69 L HN 0.629 nan 8.230 nan 0.000 0.463 70 Q N 7.019 126.850 119.800 0.053 0.000 2.626 70 Q HA 0.255 4.610 4.340 0.024 0.000 0.239 70 Q C -1.591 174.423 176.000 0.024 0.000 1.101 70 Q CA -1.593 54.232 55.803 0.036 0.000 0.918 70 Q CB 0.880 29.644 28.738 0.045 0.000 1.151 70 Q HN 0.510 nan 8.270 nan 0.000 0.531 71 P HA -0.220 nan 4.420 nan 0.000 0.217 71 P C 0.428 177.715 177.300 -0.022 0.000 1.148 71 P CA 1.365 64.467 63.100 0.004 0.000 0.834 71 P CB 0.483 32.187 31.700 0.008 0.000 0.783 72 E N -0.907 119.274 120.200 -0.031 0.000 2.474 72 E HA 0.059 4.423 4.350 0.024 0.000 0.195 72 E C 0.658 177.196 176.600 -0.104 0.000 1.039 72 E CA 0.226 56.593 56.400 -0.055 0.000 0.881 72 E CB -0.020 29.658 29.700 -0.038 0.000 0.970 72 E HN 0.497 nan 8.360 nan 0.000 0.486 73 Q N 1.634 121.359 119.800 -0.125 0.000 2.456 73 Q HA 0.169 4.524 4.340 0.024 0.000 0.234 73 Q C -0.374 175.337 176.000 -0.483 0.000 1.061 73 Q CA -0.081 55.555 55.803 -0.279 0.000 0.896 73 Q CB 0.833 29.468 28.738 -0.171 0.000 1.233 73 Q HN -0.209 nan 8.270 nan 0.000 0.506 74 K N 3.051 123.138 120.400 -0.520 0.000 2.213 74 K HA 0.383 4.718 4.320 0.024 0.000 0.270 74 K C -0.468 175.771 176.600 -0.602 0.000 1.002 74 K CA -0.078 55.974 56.287 -0.391 0.000 0.868 74 K CB 0.988 33.380 32.500 -0.180 0.000 1.093 74 K HN 0.300 nan 8.250 nan 0.000 0.454 75 F N 0.511 120.474 119.950 0.021 0.000 3.022 75 F HA 0.139 4.681 4.527 0.024 0.000 0.193 75 F C 1.208 177.033 175.800 0.041 0.000 1.462 75 F CA -0.676 57.341 58.000 0.028 0.000 0.914 75 F CB -0.214 38.782 39.000 -0.006 0.000 2.028 75 F HN 0.338 nan 8.300 nan 0.000 0.451 76 Q N 2.373 122.343 119.800 0.283 0.000 2.373 76 Q HA 0.149 4.504 4.340 0.024 0.000 0.255 76 Q C -1.069 175.011 176.000 0.133 0.000 0.980 76 Q CA -0.096 55.811 55.803 0.172 0.000 0.882 76 Q CB 0.884 29.708 28.738 0.142 0.000 1.249 76 Q HN 0.353 nan 8.270 nan 0.000 0.438 77 K N 1.871 122.335 120.400 0.106 0.000 2.218 77 K HA 0.306 4.640 4.320 0.024 0.000 0.276 77 K C -0.453 176.188 176.600 0.067 0.000 1.022 77 K CA -0.623 55.712 56.287 0.081 0.000 0.946 77 K CB 1.360 33.901 32.500 0.069 0.000 1.000 77 K HN 0.484 nan 8.250 nan 0.000 0.468 78 V N 3.553 123.496 119.914 0.048 0.000 2.498 78 V HA 0.025 4.159 4.120 0.024 0.000 0.279 78 V C 1.460 177.534 176.094 -0.034 0.000 1.048 78 V CA -0.152 62.153 62.300 0.010 0.000 0.967 78 V CB 1.222 33.065 31.823 0.033 0.000 0.988 78 V HN 0.741 nan 8.190 nan 0.000 0.473 79 K N 3.434 123.796 120.400 -0.063 0.000 2.067 79 K HA 0.360 4.694 4.320 0.024 0.000 0.203 79 K C 0.733 177.207 176.600 -0.210 0.000 1.048 79 K CA 1.425 57.621 56.287 -0.153 0.000 0.954 79 K CB -0.033 32.354 32.500 -0.188 0.000 0.737 79 K HN 1.024 nan 8.250 nan 0.000 0.444 80 G N -2.107 106.537 108.800 -0.259 0.000 2.350 80 G HA2 0.246 4.221 3.960 0.024 0.000 0.276 80 G HA3 0.246 4.221 3.960 0.024 0.000 0.276 80 G C -1.536 173.002 174.900 -0.602 0.000 1.313 80 G CA -0.801 44.121 45.100 -0.296 0.000 0.903 80 G HN 0.030 nan 8.290 nan 0.000 0.490 81 F N -0.272 119.649 119.950 -0.048 0.000 2.613 81 F HA 0.851 5.394 4.527 0.027 0.000 0.310 81 F C 0.749 176.274 175.800 -0.457 0.000 1.085 81 F CA 0.435 58.345 58.000 -0.149 0.000 0.945 81 F CB 2.327 41.275 39.000 -0.087 0.000 1.298 81 F HN 1.390 nan 8.300 nan 0.000 0.455 82 G N -0.172 108.264 108.800 -0.607 0.000 2.356 82 G HA2 0.566 4.541 3.960 0.024 0.000 0.281 82 G HA3 0.566 4.541 3.960 0.024 0.000 0.281 82 G C -1.296 173.219 174.900 -0.642 0.000 1.246 82 G CA 0.016 44.445 45.100 -1.119 0.000 0.889 82 G HN 1.173 nan 8.290 nan 0.000 0.486 83 G N -1.671 106.981 108.800 -0.247 0.000 2.682 83 G HA2 0.771 4.745 3.960 0.024 0.000 0.303 83 G HA3 0.771 4.745 3.960 0.024 0.000 0.303 83 G C -1.038 173.924 174.900 0.103 0.000 1.341 83 G CA 0.497 45.591 45.100 -0.011 0.000 0.784 83 G HN 1.838 nan 8.290 nan 0.000 0.497 84 A N -0.146 122.760 122.820 0.143 0.000 2.260 84 A HA 0.605 4.940 4.320 0.024 0.000 0.308 84 A C -0.006 177.623 177.584 0.074 0.000 1.254 84 A CA -0.483 51.665 52.037 0.184 0.000 0.874 84 A CB 0.911 20.135 19.000 0.374 0.000 1.153 84 A HN 0.663 nan 8.150 nan 0.000 0.527 85 M N 4.352 124.022 119.600 0.117 0.000 3.237 85 M HA 0.178 4.672 4.480 0.024 0.000 0.266 85 M C 0.761 177.092 176.300 0.051 0.000 1.456 85 M CA -0.144 55.205 55.300 0.080 0.000 1.593 85 M CB -0.979 31.689 32.600 0.113 0.000 1.129 85 M HN 0.767 nan 8.290 nan 0.000 0.547 86 T N -0.923 113.590 114.554 -0.070 0.000 2.754 86 T HA 0.262 4.627 4.350 0.024 0.000 0.286 86 T C 0.871 175.552 174.700 -0.032 0.000 0.997 86 T CA -0.716 61.314 62.100 -0.117 0.000 0.982 86 T CB 0.698 69.346 68.868 -0.367 0.000 1.027 86 T HN 0.483 nan 8.240 nan 0.000 0.529 87 D N 0.763 121.164 120.400 0.003 0.000 2.104 87 D HA -0.083 4.572 4.640 0.024 0.000 0.194 87 D C 2.394 178.716 176.300 0.037 0.000 0.994 87 D CA 1.793 55.824 54.000 0.051 0.000 0.830 87 D CB -0.900 39.956 40.800 0.092 0.000 0.959 87 D HN 0.724 nan 8.370 nan 0.000 0.452 88 A N 1.322 124.165 122.820 0.039 0.000 1.865 88 A HA -0.136 4.199 4.320 0.024 0.000 0.217 88 A C 2.377 179.960 177.584 -0.002 0.000 1.191 88 A CA 2.830 54.903 52.037 0.059 0.000 0.623 88 A CB -1.057 18.051 19.000 0.179 0.000 0.826 88 A HN 0.245 nan 8.150 nan 0.000 0.444 89 A N -0.321 122.455 122.820 -0.074 0.000 1.884 89 A HA -0.003 4.332 4.320 0.024 0.000 0.219 89 A C 2.521 180.097 177.584 -0.012 0.000 1.197 89 A CA 2.885 54.884 52.037 -0.064 0.000 0.637 89 A CB -1.125 17.819 19.000 -0.093 0.000 0.827 89 A HN 1.237 nan 8.150 nan 0.000 0.450 90 A N -1.101 121.720 122.820 0.002 0.000 1.970 90 A HA 0.159 4.493 4.320 0.024 0.000 0.216 90 A C 2.098 179.690 177.584 0.013 0.000 1.170 90 A CA 1.474 53.520 52.037 0.016 0.000 0.645 90 A CB -0.515 18.502 19.000 0.029 0.000 0.816 90 A HN 0.841 nan 8.150 nan 0.000 0.447 91 L N 0.483 121.717 121.223 0.018 0.000 2.046 91 L HA -0.145 4.209 4.340 0.024 0.000 0.208 91 L C 1.794 178.672 176.870 0.013 0.000 1.077 91 L CA 2.213 57.065 54.840 0.019 0.000 0.747 91 L CB -0.866 41.212 42.059 0.031 0.000 0.896 91 L HN 0.309 nan 8.230 nan 0.000 0.432 92 N N 0.193 118.899 118.700 0.010 0.000 2.069 92 N HA -0.183 4.571 4.740 0.024 0.000 0.191 92 N C 1.957 177.459 175.510 -0.012 0.000 1.031 92 N CA 2.232 55.283 53.050 0.003 0.000 0.852 92 N CB -0.296 38.191 38.487 0.001 0.000 1.018 92 N HN 0.453 nan 8.380 nan 0.000 0.423 93 I N 1.099 121.656 120.570 -0.022 0.000 2.179 93 I HA -0.221 3.964 4.170 0.024 0.000 0.242 93 I C 1.894 177.994 176.117 -0.027 0.000 1.088 93 I CA 0.875 62.148 61.300 -0.045 0.000 1.357 93 I CB -0.204 37.777 38.000 -0.032 0.000 1.051 93 I HN 0.030 nan 8.210 nan 0.000 0.409 94 L N 0.419 121.637 121.223 -0.009 0.000 2.551 94 L HA -0.057 4.298 4.340 0.024 0.000 0.228 94 L C 2.465 179.336 176.870 0.001 0.000 1.153 94 L CA 0.516 55.354 54.840 -0.003 0.000 0.851 94 L CB -0.510 41.549 42.059 0.001 0.000 0.959 94 L HN 0.211 nan 8.230 nan 0.000 0.451 95 A N -0.371 122.451 122.820 0.002 0.000 2.123 95 A HA 0.142 4.477 4.320 0.024 0.000 0.214 95 A C 1.175 178.766 177.584 0.011 0.000 1.152 95 A CA 0.146 52.188 52.037 0.008 0.000 0.728 95 A CB -0.204 18.803 19.000 0.011 0.000 0.814 95 A HN 0.235 nan 8.150 nan 0.000 0.464 96 L N 0.789 122.017 121.223 0.008 0.000 2.472 96 L HA 0.201 4.556 4.340 0.024 0.000 0.260 96 L C 1.095 177.977 176.870 0.021 0.000 1.209 96 L CA -0.337 54.516 54.840 0.021 0.000 0.817 96 L CB 0.650 42.724 42.059 0.024 0.000 1.106 96 L HN 0.373 nan 8.230 nan 0.000 0.479 97 S N 0.495 116.214 115.700 0.031 0.000 2.576 97 S HA 0.191 4.676 4.470 0.024 0.000 0.276 97 S C -1.664 172.952 174.600 0.027 0.000 1.339 97 S CA -1.174 57.041 58.200 0.026 0.000 1.039 97 S CB 0.943 64.160 63.200 0.028 0.000 0.902 97 S HN 0.444 nan 8.310 nan 0.000 0.516 98 P HA -0.171 nan 4.420 nan 0.000 0.222 98 P C -1.554 175.762 177.300 0.026 0.000 1.157 98 P CA 2.042 65.154 63.100 0.019 0.000 0.905 98 P CB -1.652 30.058 31.700 0.015 0.000 0.792 99 P HA -0.008 nan 4.420 nan 0.000 0.218 99 P C 1.724 179.066 177.300 0.070 0.000 1.152 99 P CA 1.768 64.894 63.100 0.043 0.000 0.826 99 P CB -0.610 31.113 31.700 0.039 0.000 0.790 100 A N -0.004 122.871 122.820 0.092 0.000 1.883 100 A HA -0.289 4.046 4.320 0.024 0.000 0.217 100 A C 2.249 179.895 177.584 0.103 0.000 1.186 100 A CA 1.780 53.925 52.037 0.181 0.000 0.624 100 A CB -1.483 17.629 19.000 0.186 0.000 0.822 100 A HN 0.155 nan 8.150 nan 0.000 0.444 101 Q N -0.290 119.518 119.800 0.013 0.000 2.029 101 Q HA -0.252 4.103 4.340 0.024 0.000 0.209 101 Q C 1.980 177.952 176.000 -0.045 0.000 0.999 101 Q CA 1.787 57.558 55.803 -0.053 0.000 0.857 101 Q CB -0.364 28.363 28.738 -0.018 0.000 0.926 101 Q HN 0.659 nan 8.270 nan 0.000 0.415 102 N N 0.450 119.155 118.700 0.008 0.000 2.137 102 N HA -0.157 4.598 4.740 0.024 0.000 0.190 102 N C 1.786 177.320 175.510 0.041 0.000 1.017 102 N CA 1.106 54.173 53.050 0.029 0.000 0.859 102 N CB -0.298 38.210 38.487 0.035 0.000 1.002 102 N HN 0.250 nan 8.380 nan 0.000 0.428 103 L N 0.302 121.566 121.223 0.070 0.000 2.093 103 L HA -0.059 4.296 4.340 0.024 0.000 0.208 103 L C 2.378 179.303 176.870 0.092 0.000 1.085 103 L CA 0.529 55.449 54.840 0.133 0.000 0.755 103 L CB -0.395 41.810 42.059 0.242 0.000 0.904 103 L HN 0.144 nan 8.230 nan 0.000 0.435 104 L N -0.126 120.971 121.223 -0.211 0.000 2.017 104 L HA -0.231 4.124 4.340 0.024 0.000 0.208 104 L C 2.492 179.259 176.870 -0.171 0.000 1.073 104 L CA 1.428 55.889 54.840 -0.631 0.000 0.745 104 L CB -0.079 41.304 42.059 -1.127 0.000 0.894 104 L HN 0.179 nan 8.230 nan 0.000 0.432 105 L N -0.530 120.696 121.223 0.006 0.000 2.093 105 L HA -0.218 4.136 4.340 0.024 0.000 0.208 105 L C 2.637 179.678 176.870 0.285 0.000 1.085 105 L CA 1.210 56.202 54.840 0.253 0.000 0.755 105 L CB -0.548 41.628 42.059 0.195 0.000 0.904 105 L HN 0.239 nan 8.230 nan 0.000 0.435 106 K N -0.170 120.315 120.400 0.143 0.000 2.057 106 K HA -0.130 4.204 4.320 0.024 0.000 0.207 106 K C 2.305 178.962 176.600 0.096 0.000 1.049 106 K CA 1.557 57.920 56.287 0.126 0.000 0.931 106 K CB -0.154 32.395 32.500 0.081 0.000 0.714 106 K HN 0.160 nan 8.250 nan 0.000 0.440 107 S N 0.188 115.908 115.700 0.033 0.000 2.392 107 S HA -0.189 4.296 4.470 0.024 0.000 0.232 107 S C 1.752 176.361 174.600 0.014 0.000 1.041 107 S CA 1.474 59.680 58.200 0.011 0.000 1.026 107 S CB -0.276 62.801 63.200 -0.206 0.000 0.845 107 S HN 0.362 nan 8.310 nan 0.000 0.465 108 Y N -1.458 118.735 120.300 -0.179 0.000 2.396 108 Y HA 0.175 4.740 4.550 0.024 0.000 0.292 108 Y C 1.535 176.965 175.900 -0.783 0.000 1.128 108 Y CA 0.341 57.990 58.100 -0.751 0.000 1.194 108 Y CB 0.192 38.016 38.460 -1.061 0.000 1.124 108 Y HN 0.199 nan 8.280 nan 0.000 0.543 109 F N -1.732 118.300 119.950 0.137 0.000 2.717 109 F HA 0.173 4.715 4.527 0.026 0.000 0.295 109 F C 1.176 177.023 175.800 0.077 0.000 1.117 109 F CA -0.125 57.947 58.000 0.120 0.000 1.361 109 F CB 0.189 39.261 39.000 0.120 0.000 1.112 109 F HN -0.283 nan 8.300 nan 0.000 0.594 110 S N 0.344 116.149 115.700 0.176 0.000 2.601 110 S HA 0.094 4.578 4.470 0.024 0.000 0.271 110 S C 1.372 176.010 174.600 0.063 0.000 1.305 110 S CA -0.528 57.745 58.200 0.122 0.000 1.022 110 S CB 0.783 64.050 63.200 0.112 0.000 0.940 110 S HN 0.114 nan 8.310 nan 0.000 0.525 111 E N 2.212 122.437 120.200 0.042 0.000 2.265 111 E HA -0.104 4.260 4.350 0.024 0.000 0.196 111 E C 0.934 177.542 176.600 0.013 0.000 0.996 111 E CA 1.002 57.396 56.400 -0.009 0.000 0.832 111 E CB -0.012 29.684 29.700 -0.006 0.000 0.756 111 E HN 0.590 nan 8.360 nan 0.000 0.491 112 E N -0.272 119.980 120.200 0.087 0.000 2.479 112 E HA 0.119 4.484 4.350 0.024 0.000 0.193 112 E C 0.820 177.588 176.600 0.280 0.000 1.049 112 E CA 0.255 56.759 56.400 0.174 0.000 0.870 112 E CB 0.553 30.322 29.700 0.114 0.000 0.944 112 E HN 0.216 nan 8.360 nan 0.000 0.492 113 G N 0.292 109.218 108.800 0.209 0.000 3.286 113 G HA2 0.345 4.319 3.960 0.024 0.000 0.166 113 G HA3 0.345 4.319 3.960 0.024 0.000 0.166 113 G C 0.457 175.426 174.900 0.116 0.000 1.155 113 G CA -0.362 44.889 45.100 0.252 0.000 0.871 113 G HN 0.198 nan 8.290 nan 0.000 0.637 114 I N -2.240 118.297 120.570 -0.056 0.000 3.941 114 I HA 0.532 4.717 4.170 0.024 0.000 0.335 114 I C 1.146 177.120 176.117 -0.238 0.000 1.402 114 I CA 0.274 61.413 61.300 -0.268 0.000 1.112 114 I CB 0.569 38.293 38.000 -0.459 0.000 1.043 114 I HN 0.824 nan 8.210 nan 0.000 0.395 115 G N 1.107 109.826 108.800 -0.135 0.000 2.198 115 G HA2 -0.316 3.659 3.960 0.024 0.000 0.257 115 G HA3 -0.316 3.659 3.960 0.024 0.000 0.257 115 G C -0.028 174.948 174.900 0.126 0.000 1.042 115 G CA -0.175 44.903 45.100 -0.037 0.000 0.791 115 G HN 0.627 nan 8.290 nan 0.000 0.502 116 Y N 0.562 120.801 120.300 -0.101 0.000 2.610 116 Y HA 0.125 4.690 4.550 0.024 0.000 0.332 116 Y C 1.601 177.567 175.900 0.110 0.000 1.201 116 Y CA 0.324 58.385 58.100 -0.065 0.000 1.465 116 Y CB 0.609 38.827 38.460 -0.404 0.000 1.283 116 Y HN 0.442 nan 8.280 nan 0.000 0.563 117 N N 2.688 121.502 118.700 0.191 0.000 2.240 117 N HA 0.123 4.878 4.740 0.024 0.000 0.240 117 N C -1.146 174.393 175.510 0.048 0.000 1.277 117 N CA 0.164 53.291 53.050 0.129 0.000 0.873 117 N CB 0.525 39.044 38.487 0.053 0.000 1.222 117 N HN 0.241 nan 8.380 nan 0.000 0.507 118 I N 1.530 122.132 120.570 0.053 0.000 2.498 118 I HA 0.502 4.687 4.170 0.024 0.000 0.290 118 I C -0.490 175.707 176.117 0.134 0.000 1.032 118 I CA -0.904 60.426 61.300 0.050 0.000 1.073 118 I CB 1.954 39.986 38.000 0.054 0.000 1.251 118 I HN -0.068 nan 8.210 nan 0.000 0.426 119 I N 4.997 125.662 120.570 0.159 0.000 2.478 119 I HA 0.415 4.600 4.170 0.024 0.000 0.287 119 I C 0.073 176.315 176.117 0.209 0.000 1.042 119 I CA -0.683 60.727 61.300 0.183 0.000 1.067 119 I CB 2.225 40.312 38.000 0.146 0.000 1.233 119 I HN 0.484 nan 8.210 nan 0.000 0.431 120 R N 5.530 126.174 120.500 0.240 0.000 2.265 120 R HA 0.599 4.954 4.340 0.024 0.000 0.314 120 R C -1.324 175.162 176.300 0.311 0.000 1.053 120 R CA -0.375 55.905 56.100 0.300 0.000 0.931 120 R CB 1.127 31.612 30.300 0.308 0.000 1.024 120 R HN 0.477 nan 8.270 nan 0.000 0.457 121 V N 7.515 127.641 119.914 0.353 0.000 2.357 121 V HA 0.325 4.460 4.120 0.024 0.000 0.284 121 V C -2.174 174.090 176.094 0.283 0.000 1.018 121 V CA -2.324 60.178 62.300 0.337 0.000 0.841 121 V CB 1.481 33.576 31.823 0.453 0.000 0.991 121 V HN 0.822 nan 8.190 nan 0.000 0.437 122 P HA 0.187 nan 4.420 nan 0.000 0.267 122 P C -0.157 177.218 177.300 0.124 0.000 1.205 122 P CA 0.110 63.333 63.100 0.205 0.000 0.765 122 P CB 0.339 32.015 31.700 -0.040 0.000 0.828 123 M N 3.583 123.176 119.600 -0.011 0.000 2.557 123 M HA 0.375 4.870 4.480 0.024 0.000 0.328 123 M C 0.747 177.008 176.300 -0.065 0.000 1.423 123 M CA 0.329 55.568 55.300 -0.102 0.000 1.418 123 M CB -0.906 31.417 32.600 -0.463 0.000 1.381 123 M HN 0.600 nan 8.290 nan 0.000 0.467 124 A N 1.374 124.109 122.820 -0.142 0.000 5.920 124 A HA -0.156 4.179 4.320 0.024 0.000 0.242 124 A C 0.268 177.586 177.584 -0.444 0.000 2.290 124 A CA 0.224 51.991 52.037 -0.450 0.000 0.705 124 A CB -1.679 16.854 19.000 -0.779 0.000 0.960 124 A HN 0.858 nan 8.150 nan 0.000 0.345 125 S N -0.097 115.074 115.700 -0.881 0.000 2.584 125 S HA 0.631 5.115 4.470 0.024 0.000 0.273 125 S C 0.527 174.850 174.600 -0.462 0.000 1.311 125 S CA 0.268 57.998 58.200 -0.784 0.000 1.034 125 S CB 0.578 63.105 63.200 -1.120 0.000 0.939 125 S HN 2.495 nan 8.310 nan 0.000 0.513 126 C N 0.735 119.768 119.300 -0.445 0.000 3.327 126 C HA 0.655 5.129 4.460 0.024 0.000 0.366 126 C C 1.390 176.290 174.990 -0.149 0.000 2.438 126 C CA -0.001 58.681 59.018 -0.560 0.000 1.438 126 C CB 0.542 27.428 27.740 -1.424 0.000 2.876 126 C HN 0.877 nan 8.230 nan 0.000 0.483 127 D N 0.483 120.738 120.400 -0.242 0.000 2.219 127 D HA -0.099 4.555 4.640 0.024 0.000 0.205 127 D C 0.551 176.598 176.300 -0.421 0.000 0.970 127 D CA 1.055 54.799 54.000 -0.427 0.000 0.851 127 D CB -0.417 39.582 40.800 -1.336 0.000 0.943 127 D HN 0.585 nan 8.370 nan 0.000 0.488 128 F N 1.246 121.090 119.950 -0.175 0.000 2.752 128 F HA 0.336 4.878 4.527 0.025 0.000 0.332 128 F C 0.291 176.020 175.800 -0.119 0.000 1.188 128 F CA -0.144 57.754 58.000 -0.170 0.000 1.296 128 F CB 0.230 39.021 39.000 -0.347 0.000 1.526 128 F HN -0.254 nan 8.300 nan 0.000 0.576 129 S N 0.379 116.111 115.700 0.053 0.000 2.588 129 S HA 0.472 4.957 4.470 0.024 0.000 0.275 129 S C 0.681 175.344 174.600 0.106 0.000 1.130 129 S CA -0.714 57.522 58.200 0.060 0.000 0.855 129 S CB 1.748 64.924 63.200 -0.040 0.000 1.116 129 S HN 0.403 nan 8.310 nan 0.000 0.472 130 I N -0.702 119.921 120.570 0.090 0.000 3.956 130 I HA 0.422 4.607 4.170 0.024 0.000 0.333 130 I C 0.447 176.584 176.117 0.032 0.000 1.302 130 I CA -0.207 61.151 61.300 0.097 0.000 1.122 130 I CB -0.050 37.999 38.000 0.081 0.000 1.013 130 I HN 0.459 nan 8.210 nan 0.000 0.405 131 R N 0.946 121.423 120.500 -0.039 0.000 2.781 131 R HA 0.530 4.885 4.340 0.024 0.000 0.269 131 R C -0.919 175.183 176.300 -0.331 0.000 1.025 131 R CA -0.418 55.582 56.100 -0.166 0.000 0.914 131 R CB 0.879 31.164 30.300 -0.025 0.000 1.236 131 R HN 0.083 nan 8.270 nan 0.000 0.465 132 T N -0.689 113.580 114.554 -0.476 0.000 2.837 132 T HA 0.648 5.013 4.350 0.024 0.000 0.285 132 T C -0.549 174.034 174.700 -0.195 0.000 0.984 132 T CA -0.484 61.307 62.100 -0.515 0.000 1.049 132 T CB 0.591 69.076 68.868 -0.639 0.000 0.947 132 T HN 0.646 nan 8.240 nan 0.000 0.472 133 Y N -1.071 119.103 120.300 -0.210 0.000 2.702 133 Y HA 0.703 5.268 4.550 0.024 0.000 0.336 133 Y C -0.548 175.256 175.900 -0.159 0.000 1.203 133 Y CA -1.093 56.918 58.100 -0.147 0.000 1.072 133 Y CB 0.669 39.056 38.460 -0.121 0.000 1.327 133 Y HN 0.970 nan 8.280 nan 0.000 0.456 134 T N -2.707 111.864 114.554 0.029 0.000 2.858 134 T HA 0.429 4.793 4.350 0.024 0.000 0.285 134 T C -0.444 174.304 174.700 0.079 0.000 1.052 134 T CA -0.705 61.373 62.100 -0.036 0.000 1.009 134 T CB 1.097 69.994 68.868 0.049 0.000 1.241 134 T HN 0.759 nan 8.240 nan 0.000 0.542 135 Y N -0.059 120.365 120.300 0.208 0.000 2.546 135 Y HA 0.471 5.035 4.550 0.024 0.000 0.287 135 Y C 1.599 177.367 175.900 -0.220 0.000 1.158 135 Y CA -0.154 57.787 58.100 -0.265 0.000 1.307 135 Y CB 0.328 38.145 38.460 -1.071 0.000 1.036 135 Y HN 0.784 nan 8.280 nan 0.000 0.532 136 A N -0.260 122.767 122.820 0.345 0.000 3.370 136 A HA 0.274 4.609 4.320 0.024 0.000 0.295 136 A C -0.224 177.679 177.584 0.531 0.000 1.030 136 A CA -0.466 51.856 52.037 0.475 0.000 0.883 136 A CB -0.139 19.331 19.000 0.784 0.000 1.191 136 A HN 0.126 nan 8.150 nan 0.000 0.507 137 D N 0.414 121.017 120.400 0.338 0.000 2.350 137 D HA 0.024 4.679 4.640 0.024 0.000 0.213 137 D C 0.303 176.748 176.300 0.242 0.000 1.031 137 D CA 0.828 55.008 54.000 0.301 0.000 0.861 137 D CB 0.433 41.336 40.800 0.171 0.000 0.926 137 D HN 0.405 nan 8.370 nan 0.000 0.520 138 T N 3.496 118.143 114.554 0.155 0.000 2.829 138 T HA 0.130 4.495 4.350 0.024 0.000 0.293 138 T C -2.402 172.083 174.700 -0.358 0.000 0.970 138 T CA -0.971 61.107 62.100 -0.035 0.000 1.168 138 T CB 1.152 69.997 68.868 -0.039 0.000 0.911 138 T HN -0.042 nan 8.240 nan 0.000 0.535 139 P HA 0.137 nan 4.420 nan 0.000 0.268 139 P C 0.188 176.900 177.300 -0.981 0.000 1.204 139 P CA 0.106 62.812 63.100 -0.657 0.000 0.768 139 P CB 0.280 31.864 31.700 -0.194 0.000 0.842 140 D N -0.084 119.394 120.400 -1.537 0.000 2.983 140 D HA -0.194 4.461 4.640 0.024 0.000 0.225 140 D C 0.048 175.519 176.300 -1.381 0.000 1.174 140 D CA 1.044 54.280 54.000 -1.273 0.000 0.831 140 D CB -1.740 38.859 40.800 -0.333 0.000 1.104 140 D HN 0.465 nan 8.370 nan 0.000 0.421 141 D N -0.629 118.751 120.400 -1.700 0.000 2.745 141 D HA 0.034 4.689 4.640 0.024 0.000 0.229 141 D C 1.094 177.225 176.300 -0.282 0.000 1.088 141 D CA -0.070 53.505 54.000 -0.708 0.000 1.054 141 D CB -0.885 39.707 40.800 -0.347 0.000 1.132 141 D HN 0.222 nan 8.370 nan 0.000 0.464 142 F N 0.049 120.011 119.950 0.021 0.000 2.269 142 F HA -0.126 4.416 4.527 0.024 0.000 0.301 142 F C 2.413 178.363 175.800 0.249 0.000 1.082 142 F CA 0.647 58.805 58.000 0.263 0.000 1.360 142 F CB -0.020 39.082 39.000 0.170 0.000 1.041 142 F HN 0.215 nan 8.300 nan 0.000 0.512 143 Q N 0.197 120.192 119.800 0.326 0.000 2.472 143 Q HA 0.044 4.399 4.340 0.024 0.000 0.208 143 Q C 1.027 177.188 176.000 0.268 0.000 0.958 143 Q CA 0.361 56.321 55.803 0.260 0.000 0.932 143 Q CB -0.096 28.761 28.738 0.198 0.000 1.007 143 Q HN 0.521 nan 8.270 nan 0.000 0.508 144 L N 0.530 121.945 121.223 0.321 0.000 3.634 144 L HA -0.297 4.057 4.340 0.024 0.000 0.423 144 L C 1.061 178.112 176.870 0.303 0.000 1.253 144 L CA 0.343 55.400 54.840 0.362 0.000 0.885 144 L CB -1.828 40.444 42.059 0.356 0.000 1.789 144 L HN 0.326 nan 8.230 nan 0.000 0.904 145 H N 0.579 119.752 119.070 0.171 0.000 2.428 145 H HA 0.024 4.594 4.556 0.025 0.000 0.296 145 H C 1.602 177.013 175.328 0.139 0.000 1.062 145 H CA 1.957 58.082 56.048 0.129 0.000 1.350 145 H CB 0.328 30.139 29.762 0.082 0.000 1.403 145 H HN 0.482 nan 8.280 nan 0.000 0.533 146 N N 0.235 119.053 118.700 0.197 0.000 2.279 146 N HA -0.037 4.718 4.740 0.024 0.000 0.226 146 N C -0.730 174.886 175.510 0.176 0.000 1.126 146 N CA -0.147 52.983 53.050 0.133 0.000 0.846 146 N CB 0.058 38.626 38.487 0.135 0.000 1.050 146 N HN 0.201 nan 8.380 nan 0.000 0.502 147 F N 3.168 123.175 119.950 0.095 0.000 2.571 147 F HA -0.013 4.529 4.527 0.024 0.000 0.384 147 F C 0.603 176.418 175.800 0.025 0.000 1.058 147 F CA -0.078 57.973 58.000 0.086 0.000 1.200 147 F CB 0.328 39.352 39.000 0.040 0.000 1.077 147 F HN -0.053 nan 8.300 nan 0.000 0.558 148 S N 6.038 121.560 115.700 -0.296 0.000 2.550 148 S HA 0.614 5.099 4.470 0.024 0.000 0.270 148 S C -1.221 173.231 174.600 -0.246 0.000 1.145 148 S CA -1.245 56.852 58.200 -0.170 0.000 0.852 148 S CB 1.177 64.349 63.200 -0.046 0.000 1.119 148 S HN 0.625 nan 8.310 nan 0.000 0.465 149 L N 2.439 123.557 121.223 -0.175 0.000 2.331 149 L HA 0.498 4.852 4.340 0.024 0.000 0.278 149 L C -1.873 174.977 176.870 -0.034 0.000 1.106 149 L CA -1.661 53.115 54.840 -0.107 0.000 0.824 149 L CB 0.190 42.158 42.059 -0.153 0.000 1.142 149 L HN 0.556 nan 8.230 nan 0.000 0.443 150 P HA 0.162 nan 4.420 nan 0.000 0.279 150 P C 0.132 177.370 177.300 -0.104 0.000 1.282 150 P CA -0.538 62.491 63.100 -0.118 0.000 0.788 150 P CB 0.829 32.333 31.700 -0.327 0.000 1.139 151 E N -0.249 119.881 120.200 -0.117 0.000 2.204 151 E HA -0.206 4.158 4.350 0.024 0.000 0.195 151 E C 1.594 178.152 176.600 -0.071 0.000 0.990 151 E CA 1.189 57.539 56.400 -0.083 0.000 0.821 151 E CB -0.100 29.558 29.700 -0.070 0.000 0.750 151 E HN 0.496 nan 8.360 nan 0.000 0.477 152 E N 0.888 121.031 120.200 -0.096 0.000 2.097 152 E HA -0.207 4.158 4.350 0.024 0.000 0.196 152 E C 1.404 178.033 176.600 0.048 0.000 1.000 152 E CA 1.784 58.169 56.400 -0.025 0.000 0.804 152 E CB 0.011 29.690 29.700 -0.036 0.000 0.740 152 E HN 0.274 nan 8.360 nan 0.000 0.454 153 D N -1.342 119.095 120.400 0.062 0.000 2.144 153 D HA -0.093 4.562 4.640 0.024 0.000 0.207 153 D C 2.028 178.244 176.300 -0.140 0.000 0.970 153 D CA 1.902 55.927 54.000 0.043 0.000 0.853 153 D CB -0.375 40.490 40.800 0.108 0.000 1.007 153 D HN 0.262 nan 8.370 nan 0.000 0.469 154 T N -1.810 112.649 114.554 -0.159 0.000 2.995 154 T HA -0.007 4.357 4.350 0.024 0.000 0.269 154 T C 1.678 176.313 174.700 -0.108 0.000 1.091 154 T CA 0.781 62.760 62.100 -0.202 0.000 1.128 154 T CB 0.133 68.945 68.868 -0.093 0.000 0.891 154 T HN -0.166 nan 8.240 nan 0.000 0.492 155 K N -0.221 120.140 120.400 -0.066 0.000 2.399 155 K HA 0.478 4.812 4.320 0.024 0.000 0.196 155 K C 1.718 178.304 176.600 -0.022 0.000 1.117 155 K CA 0.222 56.489 56.287 -0.034 0.000 0.965 155 K CB 0.163 32.647 32.500 -0.026 0.000 0.983 155 K HN 0.367 nan 8.250 nan 0.000 0.531 156 L N -0.135 121.076 121.223 -0.019 0.000 2.546 156 L HA 0.176 4.530 4.340 0.024 0.000 0.182 156 L C 2.076 178.948 176.870 0.004 0.000 1.167 156 L CA 0.472 55.312 54.840 -0.000 0.000 0.845 156 L CB -0.291 41.776 42.059 0.013 0.000 1.134 156 L HN -0.181 nan 8.230 nan 0.000 0.500 157 K N 0.494 120.908 120.400 0.023 0.000 1.985 157 K HA -0.079 4.256 4.320 0.024 0.000 0.210 157 K C 2.058 178.658 176.600 0.001 0.000 1.047 157 K CA 1.645 57.966 56.287 0.056 0.000 0.932 157 K CB -0.279 32.319 32.500 0.163 0.000 0.716 157 K HN 0.109 nan 8.250 nan 0.000 0.439 158 I N 0.933 121.448 120.570 -0.092 0.000 2.127 158 I HA -0.234 3.950 4.170 0.024 0.000 0.241 158 I C -1.012 175.022 176.117 -0.138 0.000 1.075 158 I CA 1.312 62.476 61.300 -0.228 0.000 1.334 158 I CB -1.013 36.689 38.000 -0.496 0.000 1.040 158 I HN 0.126 nan 8.210 nan 0.000 0.405 159 P HA -0.149 nan 4.420 nan 0.000 0.218 159 P C 1.937 179.258 177.300 0.035 0.000 1.148 159 P CA 1.413 64.561 63.100 0.079 0.000 0.822 159 P CB -0.021 31.705 31.700 0.043 0.000 0.784 160 L N -1.404 119.812 121.223 -0.012 0.000 2.083 160 L HA -0.143 4.212 4.340 0.024 0.000 0.209 160 L C 2.359 179.171 176.870 -0.097 0.000 1.083 160 L CA 1.324 56.145 54.840 -0.033 0.000 0.752 160 L CB -0.649 41.401 42.059 -0.014 0.000 0.899 160 L HN -0.048 nan 8.230 nan 0.000 0.433 161 I N -1.173 119.323 120.570 -0.124 0.000 2.286 161 I HA -0.288 3.897 4.170 0.024 0.000 0.245 161 I C 2.334 178.333 176.117 -0.197 0.000 1.104 161 I CA 1.151 62.330 61.300 -0.202 0.000 1.397 161 I CB -0.396 37.498 38.000 -0.178 0.000 1.072 161 I HN 0.246 nan 8.210 nan 0.000 0.417 162 H N 0.415 119.429 119.070 -0.094 0.000 2.352 162 H HA -0.147 4.424 4.556 0.024 0.000 0.299 162 H C 2.439 177.711 175.328 -0.092 0.000 1.097 162 H CA 1.482 57.482 56.048 -0.079 0.000 1.311 162 H CB 0.058 29.790 29.762 -0.051 0.000 1.377 162 H HN 0.176 nan 8.280 nan 0.000 0.504 163 R N -0.035 120.482 120.500 0.028 0.000 2.115 163 R HA 0.013 4.367 4.340 0.024 0.000 0.226 163 R C 2.538 178.788 176.300 -0.085 0.000 1.100 163 R CA 0.753 56.846 56.100 -0.013 0.000 0.980 163 R CB -0.003 30.295 30.300 -0.004 0.000 0.875 163 R HN 0.260 nan 8.270 nan 0.000 0.445 164 A N 1.226 123.901 122.820 -0.243 0.000 1.902 164 A HA -0.113 4.222 4.320 0.024 0.000 0.217 164 A C 2.095 179.468 177.584 -0.352 0.000 1.181 164 A CA 1.124 52.820 52.037 -0.568 0.000 0.623 164 A CB -0.486 17.706 19.000 -1.347 0.000 0.818 164 A HN 0.159 nan 8.150 nan 0.000 0.443 165 L N -1.024 120.068 121.223 -0.218 0.000 2.093 165 L HA -0.189 4.166 4.340 0.024 0.000 0.208 165 L C 2.814 179.677 176.870 -0.012 0.000 1.085 165 L CA 1.643 56.433 54.840 -0.082 0.000 0.755 165 L CB -0.668 41.361 42.059 -0.050 0.000 0.904 165 L HN 0.495 nan 8.230 nan 0.000 0.435 166 Q N 1.034 120.831 119.800 -0.006 0.000 2.096 166 Q HA -0.182 4.173 4.340 0.024 0.000 0.204 166 Q C 2.095 178.115 176.000 0.034 0.000 0.982 166 Q CA 1.796 57.609 55.803 0.017 0.000 0.850 166 Q CB -0.314 28.433 28.738 0.015 0.000 0.901 166 Q HN 0.472 nan 8.270 nan 0.000 0.422 167 L N -0.103 121.148 121.223 0.045 0.000 2.240 167 L HA 0.185 4.540 4.340 0.024 0.000 0.211 167 L C 0.747 177.688 176.870 0.118 0.000 1.106 167 L CA 0.168 55.061 54.840 0.089 0.000 0.793 167 L CB -0.389 41.746 42.059 0.128 0.000 0.927 167 L HN 0.155 nan 8.230 nan 0.000 0.446 168 A N -0.498 122.400 122.820 0.129 0.000 2.401 168 A HA 0.095 4.429 4.320 0.024 0.000 0.259 168 A C 0.900 178.538 177.584 0.090 0.000 1.103 168 A CA -0.287 51.839 52.037 0.149 0.000 0.789 168 A CB 0.669 19.778 19.000 0.183 0.000 1.035 168 A HN 0.151 nan 8.150 nan 0.000 0.491 169 Q N 1.084 120.931 119.800 0.077 0.000 2.163 169 Q HA -0.008 4.347 4.340 0.024 0.000 0.198 169 Q C 0.453 176.482 176.000 0.049 0.000 0.954 169 Q CA 1.053 56.888 55.803 0.054 0.000 0.851 169 Q CB -0.026 28.738 28.738 0.044 0.000 0.928 169 Q HN 0.803 nan 8.270 nan 0.000 0.459 170 R N 1.405 121.936 120.500 0.053 0.000 2.643 170 R HA 0.131 4.486 4.340 0.024 0.000 0.270 170 R C -2.167 174.158 176.300 0.040 0.000 1.061 170 R CA -1.403 54.722 56.100 0.041 0.000 1.107 170 R CB -0.469 29.856 30.300 0.041 0.000 0.999 170 R HN -0.006 nan 8.270 nan 0.000 0.460 171 P HA -0.051 nan 4.420 nan 0.000 0.261 171 P C -0.824 176.478 177.300 0.002 0.000 1.183 171 P CA 0.204 63.307 63.100 0.005 0.000 0.761 171 P CB 0.459 32.150 31.700 -0.014 0.000 0.785 172 V N 3.702 123.621 119.914 0.008 0.000 2.427 172 V HA 0.251 4.386 4.120 0.024 0.000 0.286 172 V C 0.444 176.519 176.094 -0.030 0.000 1.034 172 V CA -0.177 62.130 62.300 0.013 0.000 0.893 172 V CB 1.581 33.431 31.823 0.044 0.000 0.982 172 V HN 0.446 nan 8.190 nan 0.000 0.452 173 S N 5.711 121.374 115.700 -0.060 0.000 2.442 173 S HA 0.629 5.113 4.470 0.024 0.000 0.297 173 S C -0.360 174.288 174.600 0.080 0.000 1.131 173 S CA -0.486 57.693 58.200 -0.034 0.000 1.092 173 S CB 0.715 63.723 63.200 -0.320 0.000 0.998 173 S HN 0.486 nan 8.310 nan 0.000 0.478 174 L N 3.598 124.861 121.223 0.067 0.000 2.312 174 L HA 0.600 4.954 4.340 0.024 0.000 0.281 174 L C -0.601 176.469 176.870 0.334 0.000 1.070 174 L CA -0.821 54.003 54.840 -0.027 0.000 0.805 174 L CB 0.945 42.581 42.059 -0.705 0.000 1.174 174 L HN 0.442 nan 8.230 nan 0.000 0.434 175 L N 3.310 124.799 121.223 0.442 0.000 2.406 175 L HA 0.758 5.113 4.340 0.024 0.000 0.272 175 L C -0.479 176.650 176.870 0.432 0.000 0.980 175 L CA -0.120 54.985 54.840 0.442 0.000 0.831 175 L CB 1.550 43.831 42.059 0.370 0.000 1.253 175 L HN 0.632 nan 8.230 nan 0.000 0.406 176 A N 3.385 126.357 122.820 0.253 0.000 2.305 176 A HA 0.894 5.228 4.320 0.024 0.000 0.322 176 A C -0.589 176.946 177.584 -0.082 0.000 1.187 176 A CA -0.387 51.624 52.037 -0.044 0.000 0.825 176 A CB 0.833 19.456 19.000 -0.628 0.000 1.164 176 A HN 0.732 nan 8.150 nan 0.000 0.498 177 S N 3.160 118.856 115.700 -0.006 0.000 2.547 177 S HA 0.729 5.214 4.470 0.024 0.000 0.281 177 S C -3.065 171.596 174.600 0.101 0.000 1.118 177 S CA -1.072 57.133 58.200 0.008 0.000 0.947 177 S CB 2.131 65.337 63.200 0.010 0.000 1.053 177 S HN 0.648 nan 8.310 nan 0.000 0.482 178 P HA 0.296 nan 4.420 nan 0.000 0.292 178 P C -0.020 177.427 177.300 0.246 0.000 1.283 178 P CA -0.686 62.508 63.100 0.157 0.000 0.835 178 P CB 1.135 32.868 31.700 0.055 0.000 1.017 179 W N 0.940 122.259 121.300 0.032 0.000 2.644 179 W HA 0.053 4.727 4.660 0.024 0.000 0.279 179 W C 0.650 177.158 176.519 -0.017 0.000 1.164 179 W CA 0.618 57.997 57.345 0.058 0.000 1.457 179 W CB 0.430 29.968 29.460 0.130 0.000 1.087 179 W HN 0.249 nan 8.180 nan 0.000 0.573 180 T N 0.104 114.734 114.554 0.126 0.000 2.909 180 T HA 0.305 4.670 4.350 0.024 0.000 0.299 180 T C -0.155 174.308 174.700 -0.396 0.000 1.073 180 T CA -0.454 61.557 62.100 -0.150 0.000 0.999 180 T CB 1.439 70.233 68.868 -0.124 0.000 1.098 180 T HN -0.062 nan 8.240 nan 0.000 0.477 181 S N 4.247 119.406 115.700 -0.902 0.000 2.600 181 S HA 0.532 5.016 4.470 0.024 0.000 0.265 181 S C -2.609 171.574 174.600 -0.695 0.000 1.325 181 S CA -1.015 56.422 58.200 -1.272 0.000 1.002 181 S CB -0.063 62.046 63.200 -1.817 0.000 0.921 181 S HN 0.578 nan 8.310 nan 0.000 0.554 182 P HA -0.047 nan 4.420 nan 0.000 0.265 182 P C 1.257 178.142 177.300 -0.690 0.000 1.167 182 P CA 0.606 63.348 63.100 -0.596 0.000 0.760 182 P CB 0.169 31.310 31.700 -0.933 0.000 0.783 183 T N -0.445 113.883 114.554 -0.376 0.000 2.881 183 T HA -0.150 4.215 4.350 0.024 0.000 0.270 183 T C 1.330 175.908 174.700 -0.203 0.000 1.068 183 T CA 0.747 62.701 62.100 -0.243 0.000 1.131 183 T CB -0.722 68.101 68.868 -0.075 0.000 0.871 183 T HN 0.598 nan 8.240 nan 0.000 0.479 184 W N 1.145 122.389 121.300 -0.093 0.000 2.937 184 W HA 0.318 4.993 4.660 0.025 0.000 0.245 184 W C 0.873 177.369 176.519 -0.039 0.000 1.306 184 W CA -0.412 56.893 57.345 -0.066 0.000 1.470 184 W CB -0.806 28.614 29.460 -0.067 0.000 1.132 184 W HN 0.249 nan 8.180 nan 0.000 0.675 185 L N 0.977 121.850 121.223 -0.585 0.000 2.558 185 L HA 0.137 4.491 4.340 0.024 0.000 0.225 185 L C 0.823 177.432 176.870 -0.434 0.000 1.128 185 L CA 0.811 55.408 54.840 -0.404 0.000 0.868 185 L CB -0.364 41.322 42.059 -0.620 0.000 1.006 185 L HN -0.238 nan 8.230 nan 0.000 0.454 186 K N -0.516 119.645 120.400 -0.399 0.000 2.118 186 K HA 0.226 4.561 4.320 0.024 0.000 0.254 186 K C 1.191 177.626 176.600 -0.274 0.000 0.961 186 K CA 0.021 56.086 56.287 -0.370 0.000 0.876 186 K CB 1.599 33.886 32.500 -0.355 0.000 1.077 186 K HN -0.106 nan 8.250 nan 0.000 0.440 187 T N -2.209 112.192 114.554 -0.255 0.000 2.995 187 T HA -0.116 4.249 4.350 0.024 0.000 0.269 187 T C 1.077 175.695 174.700 -0.135 0.000 1.091 187 T CA 1.083 63.069 62.100 -0.190 0.000 1.128 187 T CB -0.193 68.574 68.868 -0.169 0.000 0.891 187 T HN 0.666 nan 8.240 nan 0.000 0.492 188 N N 0.948 119.567 118.700 -0.135 0.000 2.205 188 N HA 0.173 4.927 4.740 0.024 0.000 0.201 188 N C 1.464 176.927 175.510 -0.079 0.000 1.128 188 N CA 0.482 53.475 53.050 -0.095 0.000 0.867 188 N CB -0.305 38.126 38.487 -0.092 0.000 0.996 188 N HN 0.558 nan 8.380 nan 0.000 0.503 189 G N 0.100 108.844 108.800 -0.093 0.000 2.321 189 G HA2 -0.112 3.863 3.960 0.024 0.000 0.287 189 G HA3 -0.112 3.863 3.960 0.024 0.000 0.287 189 G C 0.104 174.969 174.900 -0.057 0.000 1.018 189 G CA 0.661 45.722 45.100 -0.064 0.000 0.855 189 G HN 0.896 nan 8.290 nan 0.000 0.507 190 A N -1.721 121.051 122.820 -0.080 0.000 2.527 190 A HA 0.870 5.204 4.320 0.024 0.000 0.293 190 A C 1.225 178.761 177.584 -0.080 0.000 1.117 190 A CA 0.300 52.302 52.037 -0.057 0.000 0.723 190 A CB 1.200 20.184 19.000 -0.027 0.000 1.313 190 A HN 1.499 nan 8.150 nan 0.000 0.411 191 V N -0.857 119.025 119.914 -0.054 0.000 2.970 191 V HA 0.074 4.208 4.120 0.024 0.000 0.260 191 V C 0.547 176.656 176.094 0.024 0.000 1.100 191 V CA 1.807 64.077 62.300 -0.050 0.000 1.122 191 V CB -1.573 30.215 31.823 -0.059 0.000 0.721 191 V HN 0.963 nan 8.190 nan 0.000 0.483 192 N N -0.101 118.631 118.700 0.053 0.000 3.283 192 N HA 0.657 5.412 4.740 0.024 0.000 0.338 192 N C 0.393 175.923 175.510 0.033 0.000 1.517 192 N CA 0.236 53.343 53.050 0.096 0.000 0.733 192 N CB 0.805 39.408 38.487 0.193 0.000 1.797 192 N HN 0.964 nan 8.380 nan 0.000 0.637 193 G N -0.296 108.533 108.800 0.047 0.000 2.741 193 G HA2 -0.192 3.783 3.960 0.024 0.000 0.222 193 G HA3 -0.192 3.783 3.960 0.024 0.000 0.222 193 G C -0.975 173.913 174.900 -0.020 0.000 1.364 193 G CA -0.110 44.997 45.100 0.012 0.000 0.866 193 G HN 0.855 nan 8.290 nan 0.000 0.555 194 K N 0.548 120.923 120.400 -0.042 0.000 2.297 194 K HA 0.569 4.904 4.320 0.024 0.000 0.286 194 K C 0.432 176.968 176.600 -0.107 0.000 1.053 194 K CA 0.419 56.660 56.287 -0.077 0.000 0.940 194 K CB 0.230 32.693 32.500 -0.062 0.000 1.019 194 K HN 1.866 nan 8.250 nan 0.000 0.475 195 G N 1.719 110.428 108.800 -0.152 0.000 2.429 195 G HA2 0.201 4.176 3.960 0.024 0.000 0.300 195 G HA3 0.201 4.176 3.960 0.024 0.000 0.300 195 G C -1.313 173.423 174.900 -0.274 0.000 1.598 195 G CA -0.650 44.338 45.100 -0.188 0.000 0.863 195 G HN 0.636 nan 8.290 nan 0.000 0.614 196 S N 0.178 115.699 115.700 -0.299 0.000 2.801 196 S HA 0.817 5.301 4.470 0.024 0.000 0.312 196 S C 0.204 174.529 174.600 -0.457 0.000 1.112 196 S CA -1.009 56.926 58.200 -0.442 0.000 0.943 196 S CB 1.046 64.056 63.200 -0.318 0.000 1.269 196 S HN 0.754 nan 8.310 nan 0.000 0.558 197 L N 1.567 122.447 121.223 -0.571 0.000 2.485 197 L HA 0.200 4.555 4.340 0.024 0.000 0.275 197 L C 0.685 177.379 176.870 -0.294 0.000 1.207 197 L CA -0.168 54.355 54.840 -0.529 0.000 0.855 197 L CB 0.179 41.763 42.059 -0.791 0.000 1.114 197 L HN 0.650 nan 8.230 nan 0.000 0.485 198 K N 1.990 122.158 120.400 -0.387 0.000 2.230 198 K HA 0.389 4.724 4.320 0.024 0.000 0.253 198 K C 0.765 177.335 176.600 -0.049 0.000 1.008 198 K CA 0.225 56.268 56.287 -0.406 0.000 0.910 198 K CB 0.278 32.196 32.500 -0.971 0.000 0.994 198 K HN 0.819 nan 8.250 nan 0.000 0.495 199 G N 0.594 109.419 108.800 0.041 0.000 2.552 199 G HA2 -0.242 3.733 3.960 0.024 0.000 0.265 199 G HA3 -0.242 3.733 3.960 0.024 0.000 0.265 199 G C -0.998 174.014 174.900 0.187 0.000 1.234 199 G CA -0.339 44.895 45.100 0.223 0.000 0.944 199 G HN 0.485 nan 8.290 nan 0.000 0.568 200 Q N 0.178 120.030 119.800 0.087 0.000 2.394 200 Q HA 0.562 4.917 4.340 0.024 0.000 0.273 200 Q C -2.589 173.083 176.000 -0.546 0.000 1.089 200 Q CA -1.812 53.877 55.803 -0.190 0.000 0.812 200 Q CB 1.496 30.171 28.738 -0.105 0.000 1.353 200 Q HN 0.372 nan 8.270 nan 0.000 0.438 201 P HA -0.017 nan 4.420 nan 0.000 0.263 201 P C 0.735 177.942 177.300 -0.155 0.000 1.168 201 P CA 1.767 64.576 63.100 -0.486 0.000 0.759 201 P CB 0.324 31.965 31.700 -0.099 0.000 0.782 202 G N 1.626 110.429 108.800 0.004 0.000 2.258 202 G HA2 -0.200 3.775 3.960 0.024 0.000 0.233 202 G HA3 -0.200 3.775 3.960 0.024 0.000 0.233 202 G C 0.202 175.149 174.900 0.079 0.000 1.006 202 G CA 0.322 45.448 45.100 0.042 0.000 0.620 202 G HN 0.714 nan 8.290 nan 0.000 0.511 203 D N 0.277 120.742 120.400 0.108 0.000 2.478 203 D HA 0.456 5.111 4.640 0.024 0.000 0.269 203 D C 1.821 178.213 176.300 0.152 0.000 1.232 203 D CA -0.319 53.753 54.000 0.120 0.000 1.059 203 D CB 0.293 41.174 40.800 0.135 0.000 1.104 203 D HN 0.287 nan 8.370 nan 0.000 0.566 204 I N -0.658 119.903 120.570 -0.015 0.000 2.286 204 I HA -0.301 3.884 4.170 0.024 0.000 0.248 204 I C 1.640 177.797 176.117 0.066 0.000 1.115 204 I CA 1.183 62.414 61.300 -0.115 0.000 1.392 204 I CB -0.087 37.619 38.000 -0.490 0.000 1.065 204 I HN 0.291 nan 8.210 nan 0.000 0.418 205 Y N 0.362 120.850 120.300 0.314 0.000 2.089 205 Y HA -0.301 4.264 4.550 0.024 0.000 0.282 205 Y C 2.639 178.725 175.900 0.310 0.000 1.139 205 Y CA 2.203 60.510 58.100 0.345 0.000 1.123 205 Y CB -1.263 37.332 38.460 0.225 0.000 0.980 205 Y HN 0.250 nan 8.280 nan 0.000 0.493 206 H N -0.808 118.529 119.070 0.445 0.000 2.387 206 H HA -0.146 4.425 4.556 0.024 0.000 0.299 206 H C 2.151 177.779 175.328 0.500 0.000 1.090 206 H CA 1.633 57.977 56.048 0.492 0.000 1.332 206 H CB -0.074 29.969 29.762 0.469 0.000 1.386 206 H HN 0.231 nan 8.280 nan 0.000 0.516 207 Q N -0.172 119.900 119.800 0.454 0.000 2.046 207 Q HA -0.085 4.270 4.340 0.024 0.000 0.200 207 Q C 2.348 178.560 176.000 0.353 0.000 0.975 207 Q CA 1.667 57.663 55.803 0.321 0.000 0.836 207 Q CB -0.536 28.324 28.738 0.203 0.000 0.896 207 Q HN 0.482 nan 8.270 nan 0.000 0.428 208 T N 0.711 115.518 114.554 0.422 0.000 2.720 208 T HA -0.172 4.192 4.350 0.024 0.000 0.268 208 T C 1.269 176.292 174.700 0.538 0.000 1.037 208 T CA 1.086 63.477 62.100 0.486 0.000 1.144 208 T CB -0.403 68.844 68.868 0.631 0.000 0.864 208 T HN 0.506 nan 8.240 nan 0.000 0.444 209 W N 1.667 123.147 121.300 0.301 0.000 2.355 209 W HA -0.134 4.541 4.660 0.024 0.000 0.309 209 W C 2.568 179.393 176.519 0.509 0.000 1.206 209 W CA 0.865 58.376 57.345 0.276 0.000 1.284 209 W CB -0.249 29.267 29.460 0.094 0.000 1.145 209 W HN 0.294 nan 8.180 nan 0.000 0.502 210 A N 1.117 124.181 122.820 0.407 0.000 1.908 210 A HA -0.219 4.116 4.320 0.024 0.000 0.218 210 A C 1.956 179.620 177.584 0.134 0.000 1.181 210 A CA 1.722 53.831 52.037 0.120 0.000 0.627 210 A CB -0.924 18.071 19.000 -0.007 0.000 0.818 210 A HN 0.373 nan 8.150 nan 0.000 0.445 211 R N -2.382 118.239 120.500 0.201 0.000 2.189 211 R HA -0.110 4.244 4.340 0.024 0.000 0.223 211 R C 2.002 178.389 176.300 0.145 0.000 1.092 211 R CA 1.350 57.543 56.100 0.154 0.000 0.989 211 R CB -0.394 30.008 30.300 0.170 0.000 0.876 211 R HN 0.780 nan 8.270 nan 0.000 0.457 212 Y N 0.217 120.568 120.300 0.085 0.000 2.242 212 Y HA -0.213 4.351 4.550 0.024 0.000 0.291 212 Y C 1.617 177.473 175.900 -0.074 0.000 1.137 212 Y CA 1.248 59.367 58.100 0.033 0.000 1.181 212 Y CB -0.071 38.519 38.460 0.217 0.000 0.989 212 Y HN -0.127 nan 8.280 nan 0.000 0.527 213 F N -0.680 119.243 119.950 -0.044 0.000 2.126 213 F HA -0.271 4.270 4.527 0.024 0.000 0.299 213 F C 2.334 178.082 175.800 -0.087 0.000 1.096 213 F CA 1.690 59.623 58.000 -0.110 0.000 1.255 213 F CB -1.064 37.794 39.000 -0.235 0.000 0.997 213 F HN -0.118 nan 8.300 nan 0.000 0.479 214 V N -0.240 119.722 119.914 0.081 0.000 2.427 214 V HA -0.229 3.906 4.120 0.024 0.000 0.248 214 V C 2.410 178.433 176.094 -0.119 0.000 1.051 214 V CA 1.485 63.790 62.300 0.008 0.000 1.048 214 V CB -0.503 31.349 31.823 0.049 0.000 0.666 214 V HN 0.209 nan 8.190 nan 0.000 0.456 215 K N -0.393 119.825 120.400 -0.304 0.000 2.097 215 K HA -0.130 4.205 4.320 0.024 0.000 0.205 215 K C 2.061 178.289 176.600 -0.619 0.000 1.050 215 K CA 1.471 57.349 56.287 -0.682 0.000 0.938 215 K CB -0.606 31.025 32.500 -1.447 0.000 0.718 215 K HN 0.521 nan 8.250 nan 0.000 0.442 216 F N 2.149 121.801 119.950 -0.497 0.000 2.075 216 F HA -0.184 4.358 4.527 0.024 0.000 0.297 216 F C 1.994 177.696 175.800 -0.163 0.000 1.113 216 F CA 1.312 59.215 58.000 -0.163 0.000 1.218 216 F CB -0.426 38.480 39.000 -0.157 0.000 0.984 216 F HN -0.136 nan 8.300 nan 0.000 0.472 217 L N 0.177 121.186 121.223 -0.357 0.000 2.012 217 L HA -0.262 4.092 4.340 0.024 0.000 0.210 217 L C 2.303 178.946 176.870 -0.379 0.000 1.073 217 L CA 1.620 56.131 54.840 -0.549 0.000 0.748 217 L CB -1.007 40.549 42.059 -0.838 0.000 0.891 217 L HN 0.169 nan 8.230 nan 0.000 0.431 218 D N 0.339 120.644 120.400 -0.157 0.000 2.092 218 D HA -0.195 4.459 4.640 0.024 0.000 0.193 218 D C 2.231 178.527 176.300 -0.007 0.000 0.994 218 D CA 1.708 55.734 54.000 0.045 0.000 0.828 218 D CB -0.184 40.626 40.800 0.017 0.000 0.963 218 D HN 0.326 nan 8.370 nan 0.000 0.450 219 A N 0.039 122.827 122.820 -0.054 0.000 1.940 219 A HA -0.226 4.109 4.320 0.024 0.000 0.219 219 A C 2.116 179.709 177.584 0.014 0.000 1.176 219 A CA 1.261 53.297 52.037 -0.001 0.000 0.631 219 A CB -1.011 18.017 19.000 0.046 0.000 0.814 219 A HN 0.245 nan 8.150 nan 0.000 0.446 220 Y N -0.339 119.815 120.300 -0.243 0.000 2.314 220 Y HA 0.036 4.600 4.550 0.024 0.000 0.293 220 Y C 2.807 178.721 175.900 0.022 0.000 1.129 220 Y CA 0.499 58.523 58.100 -0.128 0.000 1.201 220 Y CB -0.400 37.952 38.460 -0.180 0.000 0.999 220 Y HN 0.341 nan 8.280 nan 0.000 0.541 221 A N 0.134 123.034 122.820 0.133 0.000 1.898 221 A HA -0.209 4.126 4.320 0.024 0.000 0.216 221 A C 1.994 179.622 177.584 0.073 0.000 1.181 221 A CA 1.796 53.912 52.037 0.131 0.000 0.620 221 A CB -0.612 18.502 19.000 0.190 0.000 0.819 221 A HN 0.495 nan 8.150 nan 0.000 0.442 222 E N -0.670 119.543 120.200 0.022 0.000 2.267 222 E HA -0.177 4.188 4.350 0.024 0.000 0.197 222 E C 1.026 177.535 176.600 -0.151 0.000 0.998 222 E CA 1.085 57.440 56.400 -0.076 0.000 0.830 222 E CB -0.205 29.412 29.700 -0.139 0.000 0.751 222 E HN 0.709 nan 8.360 nan 0.000 0.491 223 H N 0.087 119.131 119.070 -0.043 0.000 2.519 223 H HA 0.190 4.761 4.556 0.025 0.000 0.289 223 H C -0.007 175.387 175.328 0.109 0.000 1.040 223 H CA 0.231 56.275 56.048 -0.008 0.000 1.165 223 H CB 0.267 29.958 29.762 -0.119 0.000 1.462 223 H HN 0.059 nan 8.280 nan 0.000 0.555 224 K N 0.380 120.873 120.400 0.155 0.000 3.192 224 K HA -0.159 4.175 4.320 0.024 0.000 0.278 224 K C -0.693 176.013 176.600 0.177 0.000 1.164 224 K CA 0.250 56.631 56.287 0.157 0.000 0.816 224 K CB -1.454 31.127 32.500 0.135 0.000 1.256 224 K HN 0.246 nan 8.250 nan 0.000 0.497 225 L N 0.896 122.195 121.223 0.128 0.000 2.333 225 L HA 0.359 4.714 4.340 0.024 0.000 0.280 225 L C 0.086 177.011 176.870 0.091 0.000 1.004 225 L CA -0.600 54.271 54.840 0.052 0.000 0.820 225 L CB 1.752 43.817 42.059 0.009 0.000 1.247 225 L HN 0.098 nan 8.230 nan 0.000 0.416 226 Q N 2.447 122.249 119.800 0.003 0.000 2.342 226 Q HA 0.510 4.865 4.340 0.024 0.000 0.267 226 Q C -1.702 174.260 176.000 -0.062 0.000 1.038 226 Q CA -0.678 55.164 55.803 0.065 0.000 0.832 226 Q CB 2.162 30.938 28.738 0.064 0.000 1.323 226 Q HN 0.411 nan 8.270 nan 0.000 0.448 227 F N 1.569 121.549 119.950 0.049 0.000 2.422 227 F HA 0.233 4.774 4.527 0.025 0.000 0.333 227 F C 0.590 176.444 175.800 0.090 0.000 1.095 227 F CA -0.562 57.477 58.000 0.065 0.000 1.038 227 F CB 0.856 39.870 39.000 0.024 0.000 1.156 227 F HN 0.752 nan 8.300 nan 0.000 0.483 228 W N 3.396 124.752 121.300 0.092 0.000 2.523 228 W HA 0.542 5.217 4.660 0.025 0.000 0.278 228 W C -0.329 176.203 176.519 0.021 0.000 1.236 228 W CA 0.794 58.150 57.345 0.018 0.000 1.306 228 W CB 0.111 29.543 29.460 -0.046 0.000 1.101 228 W HN 0.460 nan 8.180 nan 0.000 0.577 229 A N 0.329 122.892 122.820 -0.429 0.000 2.601 229 A HA 0.565 4.900 4.320 0.024 0.000 0.291 229 A C -1.425 175.996 177.584 -0.271 0.000 1.075 229 A CA -0.224 51.381 52.037 -0.720 0.000 0.671 229 A CB 0.690 18.686 19.000 -1.674 0.000 1.277 229 A HN 0.570 nan 8.150 nan 0.000 0.417 230 V N -1.108 118.658 119.914 -0.247 0.000 2.876 230 V HA 0.928 5.063 4.120 0.024 0.000 0.312 230 V C -0.001 176.030 176.094 -0.106 0.000 1.085 230 V CA 0.059 62.290 62.300 -0.116 0.000 0.945 230 V CB 1.268 33.083 31.823 -0.014 0.000 1.017 230 V HN 1.735 nan 8.190 nan 0.000 0.428 231 T N 0.977 115.505 114.554 -0.043 0.000 2.922 231 T HA 0.673 5.038 4.350 0.024 0.000 0.285 231 T C 1.226 175.937 174.700 0.019 0.000 1.005 231 T CA 0.048 62.117 62.100 -0.052 0.000 1.061 231 T CB 1.628 70.450 68.868 -0.076 0.000 1.007 231 T HN 1.660 nan 8.240 nan 0.000 0.502 232 A N 0.921 123.701 122.820 -0.066 0.000 2.121 232 A HA 0.269 4.604 4.320 0.024 0.000 0.218 232 A C 0.813 178.406 177.584 0.014 0.000 1.154 232 A CA 1.256 53.251 52.037 -0.070 0.000 0.679 232 A CB -0.866 18.044 19.000 -0.150 0.000 0.795 232 A HN 1.075 nan 8.150 nan 0.000 0.458 233 E N -2.002 118.174 120.200 -0.041 0.000 3.566 233 E HA 0.033 4.397 4.350 0.024 0.000 0.329 233 E C -1.289 175.158 176.600 -0.256 0.000 1.136 233 E CA -0.131 56.225 56.400 -0.073 0.000 0.896 233 E CB -0.668 28.971 29.700 -0.103 0.000 1.144 233 E HN 0.268 nan 8.360 nan 0.000 0.514 234 N N 3.248 121.706 118.700 -0.403 0.000 2.442 234 N HA 0.210 4.964 4.740 0.024 0.000 0.265 234 N C -0.733 174.439 175.510 -0.564 0.000 1.138 234 N CA 0.464 53.115 53.050 -0.665 0.000 0.956 234 N CB 0.409 38.053 38.487 -1.405 0.000 1.067 234 N HN 0.549 nan 8.380 nan 0.000 0.474 235 E N 1.799 121.670 120.200 -0.549 0.000 2.222 235 E HA -0.182 4.183 4.350 0.024 0.000 0.189 235 E C -1.698 174.678 176.600 -0.374 0.000 1.415 235 E CA 0.012 56.129 56.400 -0.471 0.000 0.689 235 E CB -0.694 28.794 29.700 -0.354 0.000 1.107 235 E HN 0.704 nan 8.360 nan 0.000 0.350 236 P HA -0.283 nan 4.420 nan 0.000 0.217 236 P C 1.583 178.855 177.300 -0.047 0.000 1.148 236 P CA 1.991 65.062 63.100 -0.049 0.000 0.828 236 P CB 0.008 31.759 31.700 0.085 0.000 0.783 237 S N -0.175 115.430 115.700 -0.158 0.000 2.419 237 S HA -0.060 4.425 4.470 0.024 0.000 0.233 237 S C 2.143 176.608 174.600 -0.225 0.000 1.016 237 S CA 1.028 59.174 58.200 -0.090 0.000 0.974 237 S CB -1.151 61.983 63.200 -0.111 0.000 0.786 237 S HN 0.153 nan 8.310 nan 0.000 0.492 238 A N 1.521 124.094 122.820 -0.413 0.000 1.969 238 A HA 0.302 4.637 4.320 0.024 0.000 0.218 238 A C 2.254 179.411 177.584 -0.712 0.000 1.169 238 A CA 1.154 52.712 52.037 -0.798 0.000 0.635 238 A CB -1.480 16.731 19.000 -1.315 0.000 0.810 238 A HN 0.689 nan 8.150 nan 0.000 0.445 239 G N -0.804 107.733 108.800 -0.439 0.000 2.776 239 G HA2 0.183 4.158 3.960 0.024 0.000 0.209 239 G HA3 0.183 4.158 3.960 0.024 0.000 0.209 239 G C 1.040 175.815 174.900 -0.209 0.000 1.145 239 G CA 0.358 45.276 45.100 -0.303 0.000 0.791 239 G HN 0.444 nan 8.290 nan 0.000 0.530 240 L N -0.286 120.831 121.223 -0.177 0.000 2.607 240 L HA 0.385 4.739 4.340 0.024 0.000 0.228 240 L C 0.255 177.075 176.870 -0.083 0.000 1.123 240 L CA 0.031 54.809 54.840 -0.103 0.000 0.890 240 L CB 0.196 42.226 42.059 -0.048 0.000 1.103 240 L HN 0.069 nan 8.230 nan 0.000 0.468 241 L N 0.664 121.831 121.223 -0.093 0.000 2.298 241 L HA 0.309 4.664 4.340 0.024 0.000 0.284 241 L C 0.497 177.361 176.870 -0.009 0.000 1.013 241 L CA -0.526 54.291 54.840 -0.039 0.000 0.824 241 L CB 1.642 43.697 42.059 -0.008 0.000 1.221 241 L HN 0.086 nan 8.230 nan 0.000 0.418 242 S N 1.336 117.024 115.700 -0.020 0.000 2.552 242 S HA 0.300 4.785 4.470 0.024 0.000 0.289 242 S C 1.244 175.836 174.600 -0.012 0.000 1.304 242 S CA 0.148 58.336 58.200 -0.020 0.000 1.063 242 S CB 1.058 64.242 63.200 -0.027 0.000 0.848 242 S HN 1.067 nan 8.310 nan 0.000 0.499 243 G N 0.882 109.673 108.800 -0.016 0.000 2.162 243 G HA2 -0.319 3.655 3.960 0.024 0.000 0.260 243 G HA3 -0.319 3.655 3.960 0.024 0.000 0.260 243 G C -0.098 174.766 174.900 -0.059 0.000 0.976 243 G CA 0.254 45.333 45.100 -0.036 0.000 0.655 243 G HN 1.077 nan 8.290 nan 0.000 0.533 244 Y N 2.098 122.313 120.300 -0.141 0.000 2.802 244 Y HA 0.262 4.827 4.550 0.024 0.000 0.333 244 Y C -0.343 175.429 175.900 -0.214 0.000 1.244 244 Y CA -0.195 57.777 58.100 -0.214 0.000 1.558 244 Y CB 0.994 39.300 38.460 -0.256 0.000 1.233 244 Y HN 0.104 nan 8.280 nan 0.000 0.547 245 P HA -0.018 nan 4.420 nan 0.000 0.235 245 P C -0.690 176.498 177.300 -0.187 0.000 1.177 245 P CA 0.907 63.767 63.100 -0.400 0.000 0.785 245 P CB 0.042 31.497 31.700 -0.408 0.000 0.885 246 F N -2.560 117.303 119.950 -0.145 0.000 2.814 246 F HA 0.702 5.244 4.527 0.024 0.000 0.353 246 F C -0.412 175.619 175.800 0.386 0.000 1.177 246 F CA -2.077 56.031 58.000 0.181 0.000 1.036 246 F CB -0.321 38.713 39.000 0.056 0.000 1.455 246 F HN -0.499 nan 8.300 nan 0.000 0.520 247 Q N 1.135 121.381 119.800 0.743 0.000 2.262 247 Q HA 0.393 4.748 4.340 0.024 0.000 0.298 247 Q C -0.360 175.904 176.000 0.440 0.000 1.083 247 Q CA 0.531 56.616 55.803 0.470 0.000 0.962 247 Q CB 0.173 29.135 28.738 0.373 0.000 1.104 247 Q HN 0.863 nan 8.270 nan 0.000 0.376 248 C N 0.689 120.082 119.300 0.156 0.000 3.311 248 C HA 0.875 5.350 4.460 0.024 0.000 0.325 248 C C -1.715 173.195 174.990 -0.133 0.000 1.352 248 C CA -1.225 57.777 59.018 -0.026 0.000 1.308 248 C CB 0.884 28.503 27.740 -0.202 0.000 1.619 248 C HN 0.774 nan 8.230 nan 0.000 0.469 249 L N 1.961 123.073 121.223 -0.184 0.000 2.580 249 L HA 0.729 5.083 4.340 0.024 0.000 0.266 249 L C 0.158 176.872 176.870 -0.261 0.000 0.955 249 L CA 0.308 54.982 54.840 -0.277 0.000 0.886 249 L CB 1.447 43.343 42.059 -0.272 0.000 1.263 249 L HN 1.348 nan 8.230 nan 0.000 0.406 250 G N 3.616 112.186 108.800 -0.383 0.000 2.355 250 G HA2 0.509 4.483 3.960 0.024 0.000 0.276 250 G HA3 0.509 4.483 3.960 0.024 0.000 0.276 250 G C -1.186 173.413 174.900 -0.502 0.000 1.198 250 G CA -0.055 44.870 45.100 -0.291 0.000 0.876 250 G HN 0.356 nan 8.290 nan 0.000 0.478 251 F N 0.801 120.731 119.950 -0.033 0.000 2.529 251 F HA 0.410 4.951 4.527 0.024 0.000 0.320 251 F C 0.993 176.899 175.800 0.177 0.000 1.118 251 F CA -0.823 57.198 58.000 0.034 0.000 0.915 251 F CB 2.260 41.283 39.000 0.039 0.000 1.161 251 F HN 0.594 nan 8.300 nan 0.000 0.445 252 T N -0.110 114.577 114.554 0.221 0.000 2.828 252 T HA 0.207 4.572 4.350 0.024 0.000 0.290 252 T C -1.848 172.616 174.700 -0.393 0.000 1.019 252 T CA -1.562 60.540 62.100 0.004 0.000 1.031 252 T CB 1.144 69.998 68.868 -0.024 0.000 1.001 252 T HN 0.334 nan 8.240 nan 0.000 0.531 253 P HA -0.099 nan 4.420 nan 0.000 0.216 253 P C 1.079 178.044 177.300 -0.560 0.000 1.150 253 P CA 1.189 63.376 63.100 -1.523 0.000 0.837 253 P CB 0.083 30.839 31.700 -1.575 0.000 0.786 254 E N -1.318 118.692 120.200 -0.317 0.000 2.077 254 E HA -0.193 4.172 4.350 0.024 0.000 0.193 254 E C 2.232 178.857 176.600 0.042 0.000 0.989 254 E CA 1.067 57.393 56.400 -0.122 0.000 0.800 254 E CB -1.099 28.546 29.700 -0.092 0.000 0.746 254 E HN 0.506 nan 8.360 nan 0.000 0.452 255 H N -0.231 118.841 119.070 0.005 0.000 2.357 255 H HA -0.096 4.475 4.556 0.025 0.000 0.301 255 H C 2.247 177.769 175.328 0.323 0.000 1.082 255 H CA 1.276 57.434 56.048 0.183 0.000 1.342 255 H CB 0.318 30.206 29.762 0.211 0.000 1.389 255 H HN 0.152 nan 8.280 nan 0.000 0.511 256 Q N 0.876 120.863 119.800 0.313 0.000 2.020 256 Q HA -0.215 4.140 4.340 0.024 0.000 0.202 256 Q C 2.564 178.633 176.000 0.115 0.000 0.982 256 Q CA 1.622 57.514 55.803 0.149 0.000 0.838 256 Q CB -0.120 28.718 28.738 0.167 0.000 0.899 256 Q HN 0.330 nan 8.270 nan 0.000 0.423 257 R N 0.037 120.555 120.500 0.029 0.000 2.136 257 R HA -0.237 4.118 4.340 0.024 0.000 0.242 257 R C 1.522 177.853 176.300 0.053 0.000 1.131 257 R CA 2.339 58.440 56.100 0.002 0.000 0.937 257 R CB -0.412 29.855 30.300 -0.056 0.000 0.863 257 R HN 0.450 nan 8.270 nan 0.000 0.435 258 D N -0.489 119.981 120.400 0.117 0.000 2.149 258 D HA -0.139 4.515 4.640 0.024 0.000 0.201 258 D C 1.630 178.050 176.300 0.200 0.000 0.972 258 D CA 0.782 54.858 54.000 0.127 0.000 0.835 258 D CB -0.383 40.480 40.800 0.105 0.000 0.966 258 D HN 0.211 nan 8.370 nan 0.000 0.476 259 F N 1.886 121.948 119.950 0.187 0.000 2.126 259 F HA -0.172 4.370 4.527 0.024 0.000 0.299 259 F C 2.074 177.882 175.800 0.013 0.000 1.096 259 F CA 1.090 59.209 58.000 0.199 0.000 1.255 259 F CB -0.449 38.706 39.000 0.258 0.000 0.997 259 F HN -0.136 nan 8.300 nan 0.000 0.479 260 I N 0.023 120.476 120.570 -0.195 0.000 2.163 260 I HA -0.266 3.919 4.170 0.024 0.000 0.240 260 I C 2.735 178.693 176.117 -0.266 0.000 1.081 260 I CA 1.192 62.271 61.300 -0.369 0.000 1.353 260 I CB -1.068 36.819 38.000 -0.189 0.000 1.054 260 I HN 0.212 nan 8.210 nan 0.000 0.407 261 A N 0.847 123.627 122.820 -0.066 0.000 1.865 261 A HA -0.205 4.130 4.320 0.024 0.000 0.217 261 A C 2.427 179.997 177.584 -0.023 0.000 1.191 261 A CA 1.612 53.671 52.037 0.037 0.000 0.623 261 A CB -0.491 18.536 19.000 0.044 0.000 0.826 261 A HN 0.265 nan 8.150 nan 0.000 0.444 262 R N -0.844 119.627 120.500 -0.047 0.000 2.100 262 R HA 0.003 4.358 4.340 0.024 0.000 0.220 262 R C 0.956 177.199 176.300 -0.095 0.000 1.091 262 R CA 1.511 57.590 56.100 -0.036 0.000 0.986 262 R CB -0.300 30.006 30.300 0.010 0.000 0.888 262 R HN 0.624 nan 8.270 nan 0.000 0.444 263 D N -0.505 119.780 120.400 -0.192 0.000 3.234 263 D HA -0.034 4.620 4.640 0.024 0.000 0.281 263 D C 1.787 177.791 176.300 -0.494 0.000 1.405 263 D CA -0.039 53.825 54.000 -0.228 0.000 1.115 263 D CB -0.366 40.439 40.800 0.008 0.000 1.198 263 D HN -0.067 nan 8.370 nan 0.000 0.388 264 L N 1.975 122.640 121.223 -0.930 0.000 2.093 264 L HA 0.102 4.457 4.340 0.024 0.000 0.208 264 L C 2.109 178.511 176.870 -0.780 0.000 1.085 264 L CA 1.963 56.210 54.840 -0.988 0.000 0.755 264 L CB -0.934 40.254 42.059 -1.451 0.000 0.904 264 L HN 0.095 nan 8.230 nan 0.000 0.435 265 G N -0.092 108.164 108.800 -0.905 0.000 2.511 265 G HA2 -0.214 3.761 3.960 0.024 0.000 0.216 265 G HA3 -0.214 3.761 3.960 0.024 0.000 0.216 265 G C -0.618 173.525 174.900 -1.261 0.000 1.218 265 G CA 0.960 45.161 45.100 -1.497 0.000 0.788 265 G HN 0.368 nan 8.290 nan 0.000 0.560 266 P HA -0.031 nan 4.420 nan 0.000 0.216 266 P C 2.008 179.172 177.300 -0.228 0.000 1.150 266 P CA 1.821 64.713 63.100 -0.347 0.000 0.837 266 P CB -0.262 31.330 31.700 -0.181 0.000 0.786 267 T N -0.292 114.109 114.554 -0.256 0.000 2.737 267 T HA -0.080 4.284 4.350 0.024 0.000 0.265 267 T C 1.802 176.428 174.700 -0.124 0.000 1.038 267 T CA 1.075 63.083 62.100 -0.154 0.000 1.144 267 T CB -0.949 67.833 68.868 -0.143 0.000 0.866 267 T HN 0.060 nan 8.240 nan 0.000 0.434 268 L N 0.786 121.893 121.223 -0.193 0.000 2.056 268 L HA -0.027 4.328 4.340 0.024 0.000 0.207 268 L C 3.108 179.971 176.870 -0.011 0.000 1.078 268 L CA 1.074 55.852 54.840 -0.103 0.000 0.749 268 L CB -0.717 41.241 42.059 -0.169 0.000 0.901 268 L HN 0.249 nan 8.230 nan 0.000 0.433 269 A N 0.420 123.215 122.820 -0.042 0.000 1.908 269 A HA -0.247 4.087 4.320 0.024 0.000 0.218 269 A C 1.925 179.531 177.584 0.036 0.000 1.181 269 A CA 2.309 54.378 52.037 0.052 0.000 0.627 269 A CB -0.657 18.400 19.000 0.096 0.000 0.818 269 A HN 0.447 nan 8.150 nan 0.000 0.445 270 N N -0.012 118.689 118.700 0.001 0.000 2.494 270 N HA 0.008 4.763 4.740 0.024 0.000 0.182 270 N C 0.843 176.368 175.510 0.025 0.000 1.076 270 N CA 0.780 53.830 53.050 -0.000 0.000 0.908 270 N CB -0.127 38.353 38.487 -0.012 0.000 0.967 270 N HN 0.605 nan 8.380 nan 0.000 0.449 271 S N -1.160 114.573 115.700 0.055 0.000 2.669 271 S HA 0.131 4.616 4.470 0.024 0.000 0.270 271 S C 1.558 176.214 174.600 0.093 0.000 1.225 271 S CA -0.220 58.015 58.200 0.058 0.000 0.991 271 S CB 1.103 64.356 63.200 0.089 0.000 0.987 271 S HN 0.303 nan 8.310 nan 0.000 0.552 272 T N -1.637 112.876 114.554 -0.069 0.000 3.098 272 T HA -0.060 4.304 4.350 0.024 0.000 0.266 272 T C 0.711 175.191 174.700 -0.368 0.000 1.145 272 T CA 0.875 62.871 62.100 -0.173 0.000 1.092 272 T CB -0.719 67.964 68.868 -0.308 0.000 0.908 272 T HN 0.776 nan 8.240 nan 0.000 0.526 273 H N 0.812 119.841 119.070 -0.067 0.000 2.488 273 H HA 0.197 4.768 4.556 0.025 0.000 0.294 273 H C 1.375 176.604 175.328 -0.164 0.000 1.088 273 H CA 0.310 56.278 56.048 -0.133 0.000 1.086 273 H CB -0.302 29.432 29.762 -0.048 0.000 1.569 273 H HN 0.830 nan 8.280 nan 0.000 0.548 274 H N -0.991 118.108 119.070 0.048 0.000 2.489 274 H HA -0.045 4.526 4.556 0.025 0.000 0.293 274 H C 1.340 176.675 175.328 0.011 0.000 1.066 274 H CA 0.888 56.947 56.048 0.018 0.000 1.305 274 H CB 0.048 29.813 29.762 0.004 0.000 1.386 274 H HN 0.029 nan 8.280 nan 0.000 0.551 275 N N 0.769 119.274 118.700 -0.324 0.000 2.512 275 N HA -0.021 4.734 4.740 0.024 0.000 0.183 275 N C -0.210 175.253 175.510 -0.079 0.000 1.073 275 N CA 0.374 53.343 53.050 -0.134 0.000 0.911 275 N CB 0.148 38.538 38.487 -0.161 0.000 0.964 275 N HN 0.207 nan 8.380 nan 0.000 0.447 276 V N 3.138 123.012 119.914 -0.067 0.000 2.555 276 V HA 0.097 4.231 4.120 0.024 0.000 0.286 276 V C 0.754 176.753 176.094 -0.159 0.000 1.044 276 V CA -0.444 61.805 62.300 -0.086 0.000 1.026 276 V CB 0.755 32.560 31.823 -0.029 0.000 0.981 276 V HN 0.095 nan 8.190 nan 0.000 0.480 277 R N 3.434 123.752 120.500 -0.304 0.000 2.560 277 R HA 0.551 4.905 4.340 0.024 0.000 0.270 277 R C -0.607 175.521 176.300 -0.287 0.000 1.074 277 R CA -0.820 55.079 56.100 -0.334 0.000 1.140 277 R CB 0.912 30.873 30.300 -0.565 0.000 1.073 277 R HN 0.510 nan 8.270 nan 0.000 0.527 278 L N 2.166 123.285 121.223 -0.173 0.000 2.333 278 L HA 0.451 4.806 4.340 0.024 0.000 0.280 278 L C -1.216 175.580 176.870 -0.124 0.000 1.004 278 L CA -0.316 54.424 54.840 -0.166 0.000 0.820 278 L CB 1.273 43.240 42.059 -0.154 0.000 1.247 278 L HN 0.437 nan 8.230 nan 0.000 0.416 279 L N 5.824 126.956 121.223 -0.151 0.000 2.329 279 L HA 0.605 4.960 4.340 0.024 0.000 0.279 279 L C 0.171 176.980 176.870 -0.102 0.000 1.014 279 L CA -0.734 54.040 54.840 -0.110 0.000 0.814 279 L CB 1.805 43.796 42.059 -0.113 0.000 1.257 279 L HN 0.785 nan 8.230 nan 0.000 0.424 280 M N 1.980 121.530 119.600 -0.083 0.000 2.649 280 M HA 0.591 5.086 4.480 0.024 0.000 0.294 280 M C 0.476 176.709 176.300 -0.112 0.000 1.206 280 M CA -0.285 54.968 55.300 -0.078 0.000 0.928 280 M CB 1.767 34.344 32.600 -0.038 0.000 1.571 280 M HN 0.511 nan 8.290 nan 0.000 0.501 281 L N 0.203 121.333 121.223 -0.156 0.000 3.838 281 L HA -0.327 4.028 4.340 0.024 0.000 0.053 281 L C 0.217 176.789 176.870 -0.496 0.000 4.244 281 L CA 2.906 57.514 54.840 -0.386 0.000 0.724 281 L CB -1.837 40.044 42.059 -0.295 0.000 3.466 281 L HN 1.180 nan 8.230 nan 0.000 0.932 282 D N 0.536 120.694 120.400 -0.404 0.000 2.705 282 D HA -0.053 4.602 4.640 0.024 0.000 0.240 282 D C -0.439 175.258 176.300 -1.005 0.000 1.137 282 D CA 1.461 55.151 54.000 -0.517 0.000 0.677 282 D CB -0.738 39.850 40.800 -0.353 0.000 1.049 282 D HN 0.760 nan 8.370 nan 0.000 0.427 283 D N -0.975 118.872 120.400 -0.921 0.000 2.713 283 D HA 0.159 4.814 4.640 0.024 0.000 0.306 283 D C -0.549 175.524 176.300 -0.379 0.000 1.299 283 D CA -0.455 53.079 54.000 -0.777 0.000 0.823 283 D CB 0.620 41.011 40.800 -0.681 0.000 1.353 283 D HN 0.089 nan 8.370 nan 0.000 0.447 284 Q N 0.503 120.205 119.800 -0.163 0.000 2.395 284 Q HA 0.160 4.515 4.340 0.024 0.000 0.271 284 Q C 1.117 177.204 176.000 0.145 0.000 1.026 284 Q CA -0.003 55.882 55.803 0.136 0.000 0.900 284 Q CB 1.126 29.940 28.738 0.126 0.000 1.266 284 Q HN 0.396 nan 8.270 nan 0.000 0.430 285 R N 1.940 122.612 120.500 0.286 0.000 2.285 285 R HA -0.107 4.247 4.340 0.024 0.000 0.213 285 R C 1.777 178.118 176.300 0.069 0.000 1.068 285 R CA 0.758 56.894 56.100 0.059 0.000 1.004 285 R CB -0.515 29.711 30.300 -0.124 0.000 0.873 285 R HN 0.671 nan 8.270 nan 0.000 0.467 286 L N -0.185 121.176 121.223 0.230 0.000 2.261 286 L HA -0.080 4.275 4.340 0.024 0.000 0.216 286 L C 1.581 178.519 176.870 0.113 0.000 1.114 286 L CA 1.647 56.586 54.840 0.165 0.000 0.777 286 L CB -0.975 41.226 42.059 0.236 0.000 0.910 286 L HN 0.250 nan 8.230 nan 0.000 0.440 287 L N -0.026 121.249 121.223 0.087 0.000 2.622 287 L HA 0.112 4.467 4.340 0.024 0.000 0.233 287 L C 1.029 178.027 176.870 0.214 0.000 1.156 287 L CA 0.169 55.084 54.840 0.125 0.000 0.866 287 L CB -0.083 41.907 42.059 -0.114 0.000 0.980 287 L HN 0.223 nan 8.230 nan 0.000 0.448 288 L N 0.168 121.472 121.223 0.134 0.000 2.334 288 L HA 0.302 4.656 4.340 0.024 0.000 0.272 288 L C -1.315 175.634 176.870 0.132 0.000 1.020 288 L CA -1.586 53.340 54.840 0.144 0.000 0.812 288 L CB 1.637 43.743 42.059 0.079 0.000 1.264 288 L HN -0.213 nan 8.230 nan 0.000 0.439 289 P HA -0.089 nan 4.420 nan 0.000 0.241 289 P C 1.024 178.467 177.300 0.238 0.000 1.191 289 P CA 0.786 63.999 63.100 0.187 0.000 0.771 289 P CB 0.127 31.922 31.700 0.159 0.000 0.929 290 H N -0.451 118.713 119.070 0.156 0.000 2.265 290 H HA -0.193 4.378 4.556 0.024 0.000 0.293 290 H C 1.635 177.047 175.328 0.141 0.000 1.089 290 H CA 2.347 58.475 56.048 0.134 0.000 1.244 290 H CB -0.926 28.902 29.762 0.110 0.000 1.355 290 H HN -0.009 nan 8.280 nan 0.000 0.485 291 W N 0.565 121.861 121.300 -0.007 0.000 2.304 291 W HA -0.274 4.401 4.660 0.025 0.000 0.315 291 W C 2.959 179.394 176.519 -0.139 0.000 1.233 291 W CA 2.523 59.814 57.345 -0.090 0.000 1.261 291 W CB -0.922 28.521 29.460 -0.028 0.000 1.150 291 W HN 0.422 nan 8.180 nan 0.000 0.494 292 A N -0.286 122.615 122.820 0.135 0.000 1.898 292 A HA -0.202 4.132 4.320 0.024 0.000 0.216 292 A C 1.904 179.377 177.584 -0.185 0.000 1.181 292 A CA 1.961 53.965 52.037 -0.055 0.000 0.620 292 A CB -0.716 18.304 19.000 0.032 0.000 0.819 292 A HN 0.295 nan 8.150 nan 0.000 0.442 293 K N -0.418 120.022 120.400 0.066 0.000 1.987 293 K HA -0.145 4.189 4.320 0.024 0.000 0.216 293 K C 1.886 178.437 176.600 -0.082 0.000 1.051 293 K CA 1.797 58.156 56.287 0.120 0.000 0.942 293 K CB -0.636 31.923 32.500 0.099 0.000 0.722 293 K HN 0.252 nan 8.250 nan 0.000 0.444 294 V N 0.969 120.742 119.914 -0.234 0.000 2.250 294 V HA -0.282 3.853 4.120 0.024 0.000 0.250 294 V C 2.274 178.246 176.094 -0.205 0.000 1.060 294 V CA 1.921 64.055 62.300 -0.277 0.000 1.030 294 V CB -0.484 31.055 31.823 -0.473 0.000 0.643 294 V HN 0.150 nan 8.190 nan 0.000 0.445 295 V N -0.756 119.036 119.914 -0.203 0.000 2.379 295 V HA -0.155 3.980 4.120 0.024 0.000 0.245 295 V C 2.080 178.057 176.094 -0.195 0.000 1.044 295 V CA 1.831 64.032 62.300 -0.164 0.000 1.036 295 V CB -0.408 31.350 31.823 -0.109 0.000 0.664 295 V HN 0.438 nan 8.190 nan 0.000 0.453 296 L N 0.308 121.335 121.223 -0.327 0.000 2.477 296 L HA 0.023 4.377 4.340 0.024 0.000 0.220 296 L C 2.265 179.004 176.870 -0.218 0.000 1.106 296 L CA 1.139 55.709 54.840 -0.452 0.000 0.851 296 L CB -0.407 40.986 42.059 -1.111 0.000 0.994 296 L HN 0.505 nan 8.230 nan 0.000 0.462 297 T N -4.268 110.242 114.554 -0.073 0.000 3.252 297 T HA -0.021 4.344 4.350 0.024 0.000 0.250 297 T C 0.329 175.025 174.700 -0.007 0.000 1.123 297 T CA -0.229 61.903 62.100 0.052 0.000 1.006 297 T CB -0.351 68.575 68.868 0.097 0.000 0.992 297 T HN 0.006 nan 8.240 nan 0.000 0.547 298 D N 2.044 122.415 120.400 -0.049 0.000 2.441 298 D HA 0.302 4.957 4.640 0.024 0.000 0.231 298 D C -1.670 174.599 176.300 -0.052 0.000 1.073 298 D CA -2.715 51.258 54.000 -0.045 0.000 0.850 298 D CB 2.193 42.963 40.800 -0.050 0.000 1.062 298 D HN -0.024 nan 8.370 nan 0.000 0.524 299 P HA -0.095 nan 4.420 nan 0.000 0.222 299 P C 0.871 178.116 177.300 -0.092 0.000 1.147 299 P CA 0.582 63.643 63.100 -0.065 0.000 0.790 299 P CB 0.676 32.345 31.700 -0.052 0.000 0.780 300 E N -0.045 120.118 120.200 -0.062 0.000 2.152 300 E HA -0.044 4.321 4.350 0.024 0.000 0.192 300 E C 2.005 178.608 176.600 0.005 0.000 0.983 300 E CA 1.208 57.581 56.400 -0.044 0.000 0.818 300 E CB -0.556 29.144 29.700 -0.000 0.000 0.758 300 E HN 0.250 nan 8.360 nan 0.000 0.467 301 A N 0.690 123.510 122.820 0.001 0.000 1.924 301 A HA 0.261 4.596 4.320 0.024 0.000 0.211 301 A C 2.324 179.899 177.584 -0.015 0.000 1.198 301 A CA 1.032 53.091 52.037 0.038 0.000 0.657 301 A CB -0.340 18.655 19.000 -0.009 0.000 0.852 301 A HN 0.208 nan 8.150 nan 0.000 0.454 302 A N 1.592 124.365 122.820 -0.080 0.000 1.948 302 A HA -0.226 4.109 4.320 0.024 0.000 0.220 302 A C 2.069 179.582 177.584 -0.118 0.000 1.177 302 A CA 2.048 54.021 52.037 -0.107 0.000 0.636 302 A CB -0.620 18.317 19.000 -0.106 0.000 0.815 302 A HN 0.675 nan 8.150 nan 0.000 0.449 303 K N -1.806 118.469 120.400 -0.208 0.000 2.360 303 K HA -0.126 4.208 4.320 0.024 0.000 0.201 303 K C 1.079 177.491 176.600 -0.314 0.000 1.046 303 K CA 1.624 57.723 56.287 -0.314 0.000 0.945 303 K CB -0.369 31.846 32.500 -0.475 0.000 0.750 303 K HN 0.632 nan 8.250 nan 0.000 0.464 304 Y N 0.752 121.007 120.300 -0.075 0.000 2.444 304 Y HA 0.192 4.756 4.550 0.024 0.000 0.249 304 Y C 0.253 176.098 175.900 -0.092 0.000 1.134 304 Y CA -0.855 57.189 58.100 -0.092 0.000 1.261 304 Y CB 1.402 39.783 38.460 -0.131 0.000 1.143 304 Y HN -0.210 nan 8.280 nan 0.000 0.523 305 V N 0.746 120.688 119.914 0.047 0.000 2.333 305 V HA 0.046 4.181 4.120 0.024 0.000 0.274 305 V C 0.505 176.613 176.094 0.023 0.000 1.028 305 V CA -0.364 61.936 62.300 -0.000 0.000 0.851 305 V CB 0.966 32.757 31.823 -0.054 0.000 1.000 305 V HN 0.308 nan 8.190 nan 0.000 0.456 306 H N 4.025 123.057 119.070 -0.063 0.000 2.448 306 H HA 0.397 4.967 4.556 0.024 0.000 0.292 306 H C 0.757 176.075 175.328 -0.017 0.000 1.035 306 H CA 1.041 57.064 56.048 -0.042 0.000 1.349 306 H CB 0.602 30.322 29.762 -0.071 0.000 1.425 306 H HN 0.735 nan 8.280 nan 0.000 0.539 307 G N -0.711 108.013 108.800 -0.126 0.000 2.608 307 G HA2 0.436 4.411 3.960 0.024 0.000 0.291 307 G HA3 0.436 4.411 3.960 0.024 0.000 0.291 307 G C -1.574 173.298 174.900 -0.046 0.000 1.425 307 G CA -0.733 44.292 45.100 -0.126 0.000 0.787 307 G HN 0.145 nan 8.290 nan 0.000 0.484 308 I N 1.239 121.810 120.570 0.002 0.000 2.362 308 I HA 0.545 4.730 4.170 0.024 0.000 0.289 308 I C 0.568 176.718 176.117 0.055 0.000 0.994 308 I CA -0.757 60.546 61.300 0.006 0.000 1.158 308 I CB 1.826 39.832 38.000 0.010 0.000 1.315 308 I HN 0.596 nan 8.210 nan 0.000 0.451 309 A N 6.876 129.712 122.820 0.026 0.000 2.301 309 A HA 0.732 5.067 4.320 0.024 0.000 0.298 309 A C -0.284 177.276 177.584 -0.041 0.000 1.185 309 A CA -0.452 51.631 52.037 0.077 0.000 0.830 309 A CB 0.911 19.969 19.000 0.096 0.000 1.112 309 A HN 0.622 nan 8.150 nan 0.000 0.508 310 V N 0.862 120.758 119.914 -0.030 0.000 2.823 310 V HA 0.639 4.774 4.120 0.024 0.000 0.312 310 V C -0.534 175.584 176.094 0.040 0.000 1.072 310 V CA -0.720 61.551 62.300 -0.050 0.000 0.937 310 V CB 1.301 33.097 31.823 -0.044 0.000 1.013 310 V HN 0.928 nan 8.190 nan 0.000 0.430 311 H N 3.062 122.049 119.070 -0.138 0.000 2.499 311 H HA 0.495 5.066 4.556 0.025 0.000 0.340 311 H C -1.527 173.840 175.328 0.065 0.000 1.148 311 H CA -0.628 55.304 56.048 -0.193 0.000 1.215 311 H CB 2.228 31.831 29.762 -0.265 0.000 1.529 311 H HN 0.789 nan 8.280 nan 0.000 0.510 312 W N 3.258 124.395 121.300 -0.272 0.000 3.097 312 W HA 0.180 4.854 4.660 0.024 0.000 0.335 312 W C -1.781 174.604 176.519 -0.224 0.000 1.114 312 W CA -0.749 56.514 57.345 -0.137 0.000 1.231 312 W CB 1.675 31.107 29.460 -0.047 0.000 1.388 312 W HN 0.619 nan 8.180 nan 0.000 0.485 313 Y N 5.005 124.974 120.300 -0.552 0.000 2.404 313 Y HA 0.112 4.677 4.550 0.024 0.000 0.344 313 Y C 1.297 177.125 175.900 -0.119 0.000 0.995 313 Y CA -0.012 57.946 58.100 -0.236 0.000 1.201 313 Y CB 0.830 39.225 38.460 -0.108 0.000 1.151 313 Y HN 0.273 nan 8.280 nan 0.000 0.517 314 L N 1.872 123.224 121.223 0.215 0.000 2.376 314 L HA -0.107 4.248 4.340 0.024 0.000 0.219 314 L C 1.048 178.069 176.870 0.252 0.000 1.133 314 L CA 0.661 55.697 54.840 0.327 0.000 0.816 314 L CB -0.073 42.170 42.059 0.306 0.000 0.933 314 L HN 0.662 nan 8.230 nan 0.000 0.449 315 D N 0.251 120.718 120.400 0.112 0.000 2.371 315 D HA -0.070 4.585 4.640 0.024 0.000 0.221 315 D C 0.289 176.426 176.300 -0.273 0.000 0.986 315 D CA 1.017 54.938 54.000 -0.131 0.000 0.899 315 D CB 0.100 40.690 40.800 -0.349 0.000 0.902 315 D HN 0.286 nan 8.370 nan 0.000 0.530 316 F N 1.085 121.134 119.950 0.165 0.000 2.438 316 F HA 0.212 4.754 4.527 0.025 0.000 0.315 316 F C -0.116 175.981 175.800 0.496 0.000 1.258 316 F CA -1.164 56.967 58.000 0.218 0.000 1.180 316 F CB 0.127 39.126 39.000 -0.002 0.000 1.412 316 F HN -0.270 nan 8.300 nan 0.000 0.544 317 L N 1.523 123.039 121.223 0.488 0.000 2.791 317 L HA 0.387 4.741 4.340 0.024 0.000 0.276 317 L C 0.181 177.272 176.870 0.367 0.000 1.136 317 L CA 0.070 55.163 54.840 0.421 0.000 1.008 317 L CB -1.111 41.114 42.059 0.277 0.000 1.348 317 L HN 0.374 nan 8.230 nan 0.000 0.476 318 A N 4.766 127.791 122.820 0.342 0.000 2.408 318 A HA 0.911 5.245 4.320 0.024 0.000 0.295 318 A C -2.570 174.912 177.584 -0.169 0.000 1.040 318 A CA -1.083 51.050 52.037 0.160 0.000 0.707 318 A CB 1.345 20.579 19.000 0.389 0.000 1.235 318 A HN 0.560 nan 8.150 nan 0.000 0.418 319 P HA 0.833 nan 4.420 nan 0.000 0.282 319 P C 0.272 177.411 177.300 -0.269 0.000 1.259 319 P CA 0.547 63.507 63.100 -0.234 0.000 0.826 319 P CB 2.125 33.743 31.700 -0.136 0.000 1.064 320 A N 1.150 123.756 122.820 -0.357 0.000 3.562 320 A HA -0.118 4.217 4.320 0.024 0.000 0.100 320 A C 1.596 178.745 177.584 -0.726 0.000 1.299 320 A CA 0.727 52.429 52.037 -0.558 0.000 1.191 320 A CB -1.567 17.106 19.000 -0.545 0.000 0.843 320 A HN 0.492 nan 8.150 nan 0.000 0.402 321 K N 1.327 121.303 120.400 -0.706 0.000 2.009 321 K HA 0.103 4.437 4.320 0.024 0.000 0.210 321 K C 1.887 178.413 176.600 -0.123 0.000 1.049 321 K CA 2.940 59.014 56.287 -0.355 0.000 0.929 321 K CB -0.605 31.858 32.500 -0.061 0.000 0.714 321 K HN 1.157 nan 8.250 nan 0.000 0.440 322 A N -0.284 122.470 122.820 -0.111 0.000 2.131 322 A HA -0.143 4.191 4.320 0.024 0.000 0.220 322 A C 1.994 179.558 177.584 -0.035 0.000 1.158 322 A CA 2.225 54.234 52.037 -0.046 0.000 0.665 322 A CB -0.876 18.101 19.000 -0.039 0.000 0.795 322 A HN 0.739 nan 8.150 nan 0.000 0.460 323 T N -3.799 110.707 114.554 -0.081 0.000 3.397 323 T HA 0.205 4.570 4.350 0.024 0.000 0.233 323 T C 1.734 176.429 174.700 -0.008 0.000 0.969 323 T CA 0.515 62.588 62.100 -0.045 0.000 1.316 323 T CB -0.648 68.158 68.868 -0.104 0.000 1.175 323 T HN 0.107 nan 8.240 nan 0.000 0.381 324 L N 1.621 122.808 121.223 -0.060 0.000 2.083 324 L HA 0.156 4.510 4.340 0.024 0.000 0.209 324 L C 3.045 180.041 176.870 0.210 0.000 1.083 324 L CA 1.621 56.492 54.840 0.052 0.000 0.752 324 L CB -0.944 41.114 42.059 -0.000 0.000 0.899 324 L HN 0.588 nan 8.230 nan 0.000 0.433 325 G N -0.573 108.335 108.800 0.179 0.000 2.404 325 G HA2 -0.265 3.710 3.960 0.024 0.000 0.214 325 G HA3 -0.265 3.710 3.960 0.024 0.000 0.214 325 G C 1.477 176.493 174.900 0.193 0.000 1.189 325 G CA 0.545 45.843 45.100 0.330 0.000 0.789 325 G HN 0.244 nan 8.290 nan 0.000 0.533 326 E N 0.585 120.850 120.200 0.110 0.000 2.077 326 E HA -0.082 4.283 4.350 0.024 0.000 0.193 326 E C 2.676 179.309 176.600 0.055 0.000 0.989 326 E CA 1.545 57.984 56.400 0.065 0.000 0.800 326 E CB -0.795 28.935 29.700 0.050 0.000 0.746 326 E HN 0.315 nan 8.360 nan 0.000 0.452 327 T N 0.173 114.789 114.554 0.104 0.000 2.652 327 T HA -0.199 4.166 4.350 0.024 0.000 0.267 327 T C 1.688 176.461 174.700 0.121 0.000 1.039 327 T CA 1.513 63.705 62.100 0.153 0.000 1.153 327 T CB -0.580 68.391 68.868 0.172 0.000 0.863 327 T HN 0.400 nan 8.240 nan 0.000 0.428 328 H N 1.337 120.412 119.070 0.008 0.000 2.352 328 H HA -0.044 4.527 4.556 0.025 0.000 0.299 328 H C 2.635 177.875 175.328 -0.145 0.000 1.097 328 H CA 1.742 57.718 56.048 -0.121 0.000 1.311 328 H CB -0.117 29.363 29.762 -0.471 0.000 1.377 328 H HN 0.228 nan 8.280 nan 0.000 0.504 329 R N 0.331 120.744 120.500 -0.145 0.000 2.083 329 R HA -0.126 4.228 4.340 0.024 0.000 0.237 329 R C 2.704 178.830 176.300 -0.291 0.000 1.137 329 R CA 1.620 57.611 56.100 -0.181 0.000 0.951 329 R CB -0.150 30.115 30.300 -0.057 0.000 0.851 329 R HN 0.326 nan 8.270 nan 0.000 0.434 330 L N -0.778 120.235 121.223 -0.351 0.000 2.109 330 L HA -0.040 4.314 4.340 0.024 0.000 0.207 330 L C 0.516 176.763 176.870 -1.039 0.000 1.086 330 L CA 0.951 55.354 54.840 -0.728 0.000 0.760 330 L CB 0.043 41.572 42.059 -0.884 0.000 0.910 330 L HN 0.088 nan 8.230 nan 0.000 0.437 331 F N -0.622 119.248 119.950 -0.132 0.000 2.523 331 F HA 0.299 4.840 4.527 0.024 0.000 0.322 331 F C -1.612 174.061 175.800 -0.211 0.000 1.361 331 F CA -1.625 56.297 58.000 -0.129 0.000 1.151 331 F CB 0.303 39.261 39.000 -0.070 0.000 1.391 331 F HN -0.162 nan 8.300 nan 0.000 0.566 332 P HA -0.128 nan 4.420 nan 0.000 0.220 332 P C 0.644 177.863 177.300 -0.135 0.000 1.148 332 P CA 1.360 64.168 63.100 -0.486 0.000 0.803 332 P CB 0.381 31.814 31.700 -0.444 0.000 0.782 333 N N -0.860 117.822 118.700 -0.030 0.000 2.398 333 N HA 0.014 4.769 4.740 0.024 0.000 0.188 333 N C -0.013 175.512 175.510 0.024 0.000 1.122 333 N CA 0.588 53.651 53.050 0.022 0.000 0.866 333 N CB -0.297 38.205 38.487 0.024 0.000 0.970 333 N HN 0.100 nan 8.380 nan 0.000 0.462 334 T N 2.591 117.165 114.554 0.034 0.000 2.853 334 T HA 0.287 4.652 4.350 0.024 0.000 0.317 334 T C 0.451 175.157 174.700 0.010 0.000 1.059 334 T CA -0.771 61.323 62.100 -0.010 0.000 0.954 334 T CB 0.372 69.238 68.868 -0.003 0.000 0.994 334 T HN 0.101 nan 8.240 nan 0.000 0.479 335 M N 3.042 122.612 119.600 -0.049 0.000 2.245 335 M HA 0.274 4.769 4.480 0.024 0.000 0.335 335 M C -0.703 175.650 176.300 0.088 0.000 1.155 335 M CA 0.321 55.644 55.300 0.039 0.000 1.055 335 M CB -0.393 32.218 32.600 0.017 0.000 1.670 335 M HN 0.300 nan 8.290 nan 0.000 0.447 336 L N 3.673 124.986 121.223 0.150 0.000 2.312 336 L HA 0.641 4.996 4.340 0.024 0.000 0.281 336 L C -0.870 176.123 176.870 0.204 0.000 1.070 336 L CA -0.079 54.851 54.840 0.151 0.000 0.805 336 L CB 0.875 43.019 42.059 0.142 0.000 1.174 336 L HN 0.790 nan 8.230 nan 0.000 0.434 337 F N 2.800 122.766 119.950 0.027 0.000 2.562 337 F HA 0.660 5.202 4.527 0.025 0.000 0.319 337 F C -0.287 175.499 175.800 -0.024 0.000 1.154 337 F CA -0.857 57.159 58.000 0.027 0.000 0.931 337 F CB 1.304 40.367 39.000 0.106 0.000 1.198 337 F HN 0.435 nan 8.300 nan 0.000 0.444 338 A N 3.742 126.109 122.820 -0.754 0.000 2.350 338 A HA 0.453 4.788 4.320 0.024 0.000 0.293 338 A C 0.591 177.613 177.584 -0.936 0.000 1.231 338 A CA 0.327 51.942 52.037 -0.703 0.000 0.883 338 A CB -0.120 18.473 19.000 -0.678 0.000 1.133 338 A HN 0.994 nan 8.150 nan 0.000 0.533 339 S N 1.261 116.682 115.700 -0.466 0.000 2.511 339 S HA 0.251 4.736 4.470 0.024 0.000 0.214 339 S C 0.313 174.710 174.600 -0.340 0.000 0.997 339 S CA 0.280 58.375 58.200 -0.174 0.000 0.908 339 S CB 0.142 63.443 63.200 0.168 0.000 0.803 339 S HN 0.794 nan 8.310 nan 0.000 0.504 340 E N -0.304 119.514 120.200 -0.637 0.000 2.388 340 E HA 0.591 4.956 4.350 0.024 0.000 0.289 340 E C -1.956 174.099 176.600 -0.910 0.000 0.944 340 E CA -0.434 55.451 56.400 -0.859 0.000 0.792 340 E CB 1.788 30.659 29.700 -1.381 0.000 1.239 340 E HN 0.346 nan 8.360 nan 0.000 0.412 341 A N 2.175 124.502 122.820 -0.821 0.000 2.475 341 A HA 0.880 5.214 4.320 0.024 0.000 0.301 341 A C -0.950 176.438 177.584 -0.328 0.000 1.059 341 A CA -0.458 51.174 52.037 -0.674 0.000 0.710 341 A CB 1.033 19.515 19.000 -0.864 0.000 1.288 341 A HN 0.875 nan 8.150 nan 0.000 0.408 342 C N 0.078 119.272 119.300 -0.176 0.000 3.288 342 C HA 0.920 5.394 4.460 0.024 0.000 0.318 342 C C -0.479 174.648 174.990 0.229 0.000 1.356 342 C CA -0.174 58.932 59.018 0.147 0.000 1.359 342 C CB 0.708 28.578 27.740 0.216 0.000 1.688 342 C HN 1.861 nan 8.230 nan 0.000 0.467 343 V N -1.106 118.989 119.914 0.303 0.000 3.046 343 V HA 1.027 5.161 4.120 0.024 0.000 0.316 343 V C 0.512 176.689 176.094 0.138 0.000 1.104 343 V CA 0.089 62.515 62.300 0.209 0.000 1.006 343 V CB 0.977 32.906 31.823 0.176 0.000 1.058 343 V HN 2.898 nan 8.190 nan 0.000 0.440 344 G N 0.571 109.396 108.800 0.042 0.000 2.580 344 G HA2 -0.132 3.842 3.960 0.024 0.000 0.204 344 G HA3 -0.132 3.842 3.960 0.024 0.000 0.204 344 G C 0.302 175.218 174.900 0.028 0.000 1.107 344 G CA 0.556 45.655 45.100 -0.002 0.000 0.881 344 G HN 1.420 nan 8.290 nan 0.000 0.497 345 S N -0.251 115.420 115.700 -0.048 0.000 2.355 345 S HA 0.119 4.604 4.470 0.024 0.000 0.216 345 S C 1.471 175.913 174.600 -0.262 0.000 1.037 345 S CA 1.386 59.544 58.200 -0.071 0.000 0.955 345 S CB -0.178 62.974 63.200 -0.080 0.000 0.877 345 S HN 0.593 nan 8.310 nan 0.000 0.488 346 K N 2.589 122.627 120.400 -0.605 0.000 4.546 346 K HA -0.181 4.153 4.320 0.024 0.000 0.278 346 K C 0.572 176.634 176.600 -0.897 0.000 0.746 346 K CA 0.518 55.999 56.287 -1.342 0.000 0.826 346 K CB -1.310 30.444 32.500 -1.242 0.000 1.996 346 K HN 0.613 nan 8.250 nan 0.000 0.387 347 F N -0.648 119.027 119.950 -0.458 0.000 2.408 347 F HA -0.101 4.442 4.527 0.026 0.000 0.300 347 F C 1.426 177.305 175.800 0.132 0.000 1.090 347 F CA 0.303 58.287 58.000 -0.027 0.000 1.427 347 F CB -0.605 38.474 39.000 0.132 0.000 1.070 347 F HN 0.543 nan 8.300 nan 0.000 0.549 348 W N 0.475 121.511 121.300 -0.440 0.000 2.519 348 W HA 0.276 4.950 4.660 0.023 0.000 0.266 348 W C 0.657 177.146 176.519 -0.050 0.000 1.253 348 W CA 0.273 57.491 57.345 -0.211 0.000 1.274 348 W CB -0.328 28.942 29.460 -0.317 0.000 1.114 348 W HN -0.083 nan 8.180 nan 0.000 0.596 349 E N 0.131 120.232 120.200 -0.166 0.000 2.456 349 E HA 0.159 4.523 4.350 0.024 0.000 0.276 349 E C -0.279 176.265 176.600 -0.093 0.000 0.981 349 E CA -0.830 55.525 56.400 -0.075 0.000 0.814 349 E CB 1.469 31.135 29.700 -0.057 0.000 1.382 349 E HN -0.016 nan 8.360 nan 0.000 0.459 350 Q N -0.098 119.679 119.800 -0.037 0.000 2.793 350 Q HA 0.091 4.445 4.340 0.024 0.000 0.220 350 Q C 1.246 177.218 176.000 -0.047 0.000 1.123 350 Q CA 0.110 55.900 55.803 -0.021 0.000 1.073 350 Q CB 0.296 29.026 28.738 -0.012 0.000 1.315 350 Q HN 0.420 nan 8.270 nan 0.000 0.619 351 S N -0.412 115.295 115.700 0.012 0.000 2.343 351 S HA -0.053 4.432 4.470 0.024 0.000 0.219 351 S C 0.741 175.328 174.600 -0.022 0.000 1.033 351 S CA 0.697 58.928 58.200 0.052 0.000 1.014 351 S CB 0.180 63.474 63.200 0.156 0.000 0.915 351 S HN 0.370 nan 8.310 nan 0.000 0.435 352 V N 2.089 121.961 119.914 -0.070 0.000 2.427 352 V HA 0.446 4.581 4.120 0.024 0.000 0.286 352 V C 0.001 175.949 176.094 -0.244 0.000 1.034 352 V CA -0.484 61.735 62.300 -0.135 0.000 0.893 352 V CB 1.342 33.091 31.823 -0.122 0.000 0.982 352 V HN 0.219 nan 8.190 nan 0.000 0.452 353 R N 4.342 124.615 120.500 -0.378 0.000 2.487 353 R HA 0.438 4.793 4.340 0.024 0.000 0.288 353 R C -1.067 174.835 176.300 -0.663 0.000 1.394 353 R CA -0.579 55.031 56.100 -0.817 0.000 1.155 353 R CB 1.168 30.929 30.300 -0.897 0.000 1.156 353 R HN 0.642 nan 8.270 nan 0.000 0.553 354 L N 2.386 123.344 121.223 -0.442 0.000 2.638 354 L HA 0.089 4.444 4.340 0.024 0.000 0.273 354 L C 1.222 178.097 176.870 0.009 0.000 1.147 354 L CA 0.863 55.530 54.840 -0.288 0.000 0.941 354 L CB 0.620 42.218 42.059 -0.768 0.000 1.251 354 L HN 1.003 nan 8.230 nan 0.000 0.479 355 G N 1.869 110.686 108.800 0.029 0.000 2.148 355 G HA2 -0.255 3.720 3.960 0.024 0.000 0.203 355 G HA3 -0.255 3.720 3.960 0.024 0.000 0.203 355 G C 0.332 175.339 174.900 0.179 0.000 0.993 355 G CA 0.061 45.264 45.100 0.172 0.000 0.661 355 G HN 0.615 nan 8.290 nan 0.000 0.518 356 S N 0.199 115.922 115.700 0.039 0.000 2.466 356 S HA 0.246 4.731 4.470 0.024 0.000 0.286 356 S C 1.257 175.919 174.600 0.104 0.000 1.221 356 S CA 0.478 58.702 58.200 0.040 0.000 1.091 356 S CB -0.101 63.019 63.200 -0.132 0.000 0.956 356 S HN 0.463 nan 8.310 nan 0.000 0.501 357 W N 4.662 125.964 121.300 0.004 0.000 2.418 357 W HA -0.123 4.555 4.660 0.030 0.000 0.292 357 W C 1.293 177.785 176.519 -0.046 0.000 1.213 357 W CA 1.474 58.825 57.345 0.011 0.000 1.283 357 W CB -0.474 28.998 29.460 0.021 0.000 1.119 357 W HN 0.868 nan 8.180 nan 0.000 0.542 358 D N 0.037 120.454 120.400 0.028 0.000 2.133 358 D HA -0.243 4.412 4.640 0.024 0.000 0.192 358 D C 2.266 178.482 176.300 -0.140 0.000 1.001 358 D CA 2.195 56.168 54.000 -0.045 0.000 0.844 358 D CB -0.079 40.732 40.800 0.019 0.000 0.944 358 D HN 0.033 nan 8.370 nan 0.000 0.447 359 R N -0.683 119.727 120.500 -0.149 0.000 2.148 359 R HA 0.032 4.387 4.340 0.024 0.000 0.223 359 R C 2.380 178.510 176.300 -0.283 0.000 1.088 359 R CA 0.966 56.973 56.100 -0.156 0.000 0.985 359 R CB -0.262 29.944 30.300 -0.157 0.000 0.880 359 R HN 0.207 nan 8.270 nan 0.000 0.451 360 G N 0.954 109.458 108.800 -0.494 0.000 2.433 360 G HA2 -0.260 3.715 3.960 0.024 0.000 0.216 360 G HA3 -0.260 3.715 3.960 0.024 0.000 0.216 360 G C 1.404 175.586 174.900 -1.196 0.000 1.186 360 G CA 0.597 45.152 45.100 -0.909 0.000 0.779 360 G HN 0.161 nan 8.290 nan 0.000 0.543 361 M N 0.159 119.158 119.600 -1.003 0.000 2.358 361 M HA -0.057 4.438 4.480 0.024 0.000 0.264 361 M C 2.658 178.900 176.300 -0.098 0.000 1.064 361 M CA 1.023 56.044 55.300 -0.465 0.000 1.093 361 M CB -0.282 32.186 32.600 -0.220 0.000 1.401 361 M HN 0.309 nan 8.290 nan 0.000 0.440 362 Q N -0.637 119.140 119.800 -0.037 0.000 2.083 362 Q HA -0.143 4.211 4.340 0.024 0.000 0.198 362 Q C 1.881 178.019 176.000 0.230 0.000 0.969 362 Q CA 1.315 57.213 55.803 0.159 0.000 0.838 362 Q CB -0.121 28.726 28.738 0.182 0.000 0.900 362 Q HN 0.456 nan 8.270 nan 0.000 0.436 363 Y N 1.174 121.448 120.300 -0.043 0.000 2.097 363 Y HA -0.260 4.304 4.550 0.024 0.000 0.282 363 Y C 2.876 178.636 175.900 -0.235 0.000 1.152 363 Y CA 1.665 59.714 58.100 -0.085 0.000 1.136 363 Y CB -0.665 37.756 38.460 -0.066 0.000 0.975 363 Y HN 0.171 nan 8.280 nan 0.000 0.498 364 S N -1.392 114.357 115.700 0.082 0.000 2.406 364 S HA -0.215 4.270 4.470 0.024 0.000 0.228 364 S C 1.981 176.609 174.600 0.047 0.000 1.020 364 S CA 1.293 59.573 58.200 0.134 0.000 0.965 364 S CB -0.902 62.606 63.200 0.514 0.000 0.798 364 S HN 0.644 nan 8.310 nan 0.000 0.488 365 H N 1.376 120.449 119.070 0.005 0.000 2.389 365 H HA -0.045 4.526 4.556 0.025 0.000 0.299 365 H C 2.375 177.678 175.328 -0.042 0.000 1.081 365 H CA 1.601 57.656 56.048 0.012 0.000 1.345 365 H CB -0.215 29.574 29.762 0.045 0.000 1.393 365 H HN 0.582 nan 8.280 nan 0.000 0.520 366 S N 0.127 115.735 115.700 -0.154 0.000 2.387 366 S HA -0.062 4.423 4.470 0.024 0.000 0.226 366 S C 2.286 176.711 174.600 -0.290 0.000 1.026 366 S CA 0.880 58.983 58.200 -0.161 0.000 0.972 366 S CB -0.340 62.925 63.200 0.108 0.000 0.814 366 S HN 0.445 nan 8.310 nan 0.000 0.477 367 I N 1.025 121.195 120.570 -0.666 0.000 2.252 367 I HA -0.126 4.059 4.170 0.024 0.000 0.245 367 I C 2.263 178.052 176.117 -0.548 0.000 1.102 367 I CA 1.228 61.943 61.300 -0.976 0.000 1.385 367 I CB -0.369 36.661 38.000 -1.618 0.000 1.064 367 I HN 0.318 nan 8.210 nan 0.000 0.414 368 I N 0.256 120.599 120.570 -0.379 0.000 2.179 368 I HA -0.285 3.900 4.170 0.024 0.000 0.242 368 I C 2.582 178.621 176.117 -0.131 0.000 1.088 368 I CA 1.607 62.826 61.300 -0.135 0.000 1.357 368 I CB -0.633 37.389 38.000 0.036 0.000 1.051 368 I HN 0.201 nan 8.210 nan 0.000 0.409 369 T N 0.658 115.100 114.554 -0.186 0.000 2.665 369 T HA -0.206 4.159 4.350 0.024 0.000 0.268 369 T C 1.729 176.426 174.700 -0.005 0.000 1.035 369 T CA 1.740 63.773 62.100 -0.110 0.000 1.151 369 T CB -0.496 68.225 68.868 -0.244 0.000 0.862 369 T HN 0.373 nan 8.240 nan 0.000 0.438 370 N N 0.943 119.608 118.700 -0.058 0.000 2.043 370 N HA -0.055 4.699 4.740 0.024 0.000 0.193 370 N C 1.948 177.442 175.510 -0.026 0.000 1.037 370 N CA 1.181 54.229 53.050 -0.004 0.000 0.851 370 N CB -0.376 38.155 38.487 0.073 0.000 1.027 370 N HN 0.312 nan 8.380 nan 0.000 0.422 371 L N 1.180 122.357 121.223 -0.076 0.000 2.191 371 L HA -0.103 4.252 4.340 0.024 0.000 0.212 371 L C 2.014 178.766 176.870 -0.196 0.000 1.103 371 L CA 0.618 55.406 54.840 -0.087 0.000 0.769 371 L CB -0.194 41.844 42.059 -0.036 0.000 0.908 371 L HN 0.192 nan 8.230 nan 0.000 0.438 372 L N -1.790 119.293 121.223 -0.233 0.000 2.599 372 L HA -0.079 4.276 4.340 0.024 0.000 0.230 372 L C 0.260 176.598 176.870 -0.888 0.000 1.141 372 L CA 0.356 54.907 54.840 -0.482 0.000 0.877 372 L CB 0.047 41.884 42.059 -0.371 0.000 1.009 372 L HN 0.224 nan 8.230 nan 0.000 0.447 373 Y N -0.907 119.112 120.300 -0.469 0.000 2.578 373 Y HA 0.250 4.815 4.550 0.024 0.000 0.317 373 Y C 0.353 175.967 175.900 -0.476 0.000 0.940 373 Y CA -0.822 56.909 58.100 -0.614 0.000 1.174 373 Y CB -0.295 38.016 38.460 -0.248 0.000 1.198 373 Y HN 0.170 nan 8.280 nan 0.000 0.597 374 H N -2.710 116.277 119.070 -0.138 0.000 3.415 374 H HA -0.150 4.421 4.556 0.025 0.000 0.213 374 H C -0.035 175.277 175.328 -0.027 0.000 1.091 374 H CA 0.615 56.573 56.048 -0.150 0.000 1.182 374 H CB -1.633 27.937 29.762 -0.320 0.000 1.160 374 H HN 0.147 nan 8.280 nan 0.000 0.319 375 V N 2.641 122.590 119.914 0.058 0.000 2.530 375 V HA 0.101 4.236 4.120 0.024 0.000 0.282 375 V C 1.929 178.046 176.094 0.039 0.000 1.048 375 V CA 0.527 62.864 62.300 0.060 0.000 0.997 375 V CB 1.663 33.501 31.823 0.026 0.000 0.987 375 V HN 0.327 nan 8.190 nan 0.000 0.477 376 V N 1.800 121.761 119.914 0.078 0.000 3.650 376 V HA 0.636 4.771 4.120 0.024 0.000 0.271 376 V C 0.671 176.766 176.094 0.002 0.000 1.281 376 V CA 0.892 63.239 62.300 0.078 0.000 1.120 376 V CB -0.123 31.790 31.823 0.151 0.000 0.856 376 V HN 0.903 nan 8.190 nan 0.000 0.443 377 G N -1.373 107.372 108.800 -0.091 0.000 2.677 377 G HA2 0.497 4.472 3.960 0.024 0.000 0.291 377 G HA3 0.497 4.472 3.960 0.024 0.000 0.291 377 G C -2.621 171.938 174.900 -0.569 0.000 1.435 377 G CA -0.681 44.224 45.100 -0.326 0.000 0.826 377 G HN 0.281 nan 8.290 nan 0.000 0.491 378 W N 1.205 122.024 121.300 -0.801 0.000 3.216 378 W HA 0.563 5.240 4.660 0.028 0.000 0.335 378 W C -0.679 175.615 176.519 -0.374 0.000 1.077 378 W CA -0.356 56.663 57.345 -0.544 0.000 1.252 378 W CB 2.087 31.387 29.460 -0.268 0.000 1.312 378 W HN 0.578 nan 8.180 nan 0.000 0.446 379 T N 3.623 117.853 114.554 -0.540 0.000 2.797 379 T HA 0.205 4.570 4.350 0.024 0.000 0.279 379 T C -0.664 173.752 174.700 -0.473 0.000 0.991 379 T CA -0.500 61.412 62.100 -0.313 0.000 0.979 379 T CB 1.666 70.442 68.868 -0.154 0.000 0.943 379 T HN 0.340 nan 8.240 nan 0.000 0.444 380 D N 0.815 121.124 120.400 -0.152 0.000 2.354 380 D HA 0.202 4.857 4.640 0.024 0.000 0.247 380 D C 0.350 176.694 176.300 0.074 0.000 1.138 380 D CA -0.667 53.317 54.000 -0.027 0.000 0.958 380 D CB 0.893 41.876 40.800 0.306 0.000 1.144 380 D HN 0.574 nan 8.370 nan 0.000 0.458 381 W N 1.370 122.584 121.300 -0.143 0.000 1.612 381 W HA 0.051 4.725 4.660 0.024 0.000 0.598 381 W C 0.408 176.863 176.519 -0.106 0.000 1.737 381 W CA -0.714 56.541 57.345 -0.150 0.000 1.901 381 W CB 0.022 29.368 29.460 -0.189 0.000 2.926 381 W HN 0.251 nan 8.180 nan 0.000 0.813 382 N N 2.582 120.953 118.700 -0.548 0.000 2.217 382 N HA -0.158 4.597 4.740 0.024 0.000 0.268 382 N C 0.931 176.342 175.510 -0.165 0.000 1.290 382 N CA 0.701 53.403 53.050 -0.581 0.000 0.831 382 N CB 0.628 38.603 38.487 -0.854 0.000 1.057 382 N HN 0.352 nan 8.380 nan 0.000 0.481 383 L N 1.196 122.371 121.223 -0.080 0.000 2.042 383 L HA -0.145 4.209 4.340 0.024 0.000 0.210 383 L C 1.124 178.098 176.870 0.172 0.000 1.076 383 L CA 1.195 56.063 54.840 0.047 0.000 0.749 383 L CB -0.171 41.913 42.059 0.042 0.000 0.893 383 L HN 0.602 nan 8.230 nan 0.000 0.432 384 A N -1.008 121.840 122.820 0.046 0.000 2.539 384 A HA 0.772 5.107 4.320 0.024 0.000 0.296 384 A C -1.079 176.480 177.584 -0.041 0.000 1.073 384 A CA -0.456 51.601 52.037 0.033 0.000 0.700 384 A CB 1.729 20.745 19.000 0.027 0.000 1.296 384 A HN 0.026 nan 8.150 nan 0.000 0.405 385 L N 0.729 121.940 121.223 -0.019 0.000 2.403 385 L HA 0.463 4.818 4.340 0.024 0.000 0.253 385 L C -0.371 176.502 176.870 0.005 0.000 1.045 385 L CA -1.200 53.632 54.840 -0.014 0.000 0.845 385 L CB 2.392 44.439 42.059 -0.021 0.000 1.447 385 L HN 0.998 nan 8.230 nan 0.000 0.411 386 N N -0.377 118.326 118.700 0.005 0.000 2.413 386 N HA 0.349 5.104 4.740 0.024 0.000 0.266 386 N C -2.402 173.086 175.510 -0.035 0.000 1.238 386 N CA -1.702 51.343 53.050 -0.008 0.000 0.972 386 N CB -0.136 38.343 38.487 -0.014 0.000 1.210 386 N HN 0.151 nan 8.380 nan 0.000 0.547 387 P HA -0.116 nan 4.420 nan 0.000 0.222 387 P C 0.713 177.938 177.300 -0.125 0.000 1.147 387 P CA 1.221 64.283 63.100 -0.062 0.000 0.790 387 P CB 0.173 31.857 31.700 -0.026 0.000 0.780 388 E N -0.776 119.310 120.200 -0.190 0.000 2.371 388 E HA 0.033 4.398 4.350 0.024 0.000 0.194 388 E C 0.831 177.148 176.600 -0.470 0.000 1.012 388 E CA 0.616 56.790 56.400 -0.377 0.000 0.860 388 E CB -0.392 29.000 29.700 -0.513 0.000 0.811 388 E HN 0.161 nan 8.360 nan 0.000 0.502 389 G N -0.055 108.613 108.800 -0.219 0.000 2.140 389 G HA2 -0.179 3.795 3.960 0.024 0.000 0.211 389 G HA3 -0.179 3.795 3.960 0.024 0.000 0.211 389 G C 0.156 175.193 174.900 0.228 0.000 1.013 389 G CA 0.069 45.167 45.100 -0.004 0.000 0.705 389 G HN 0.580 nan 8.290 nan 0.000 0.508 390 G N -0.745 108.115 108.800 0.100 0.000 3.183 390 G HA2 0.870 4.844 3.960 0.024 0.000 0.247 390 G HA3 0.870 4.844 3.960 0.024 0.000 0.247 390 G C -2.897 172.114 174.900 0.185 0.000 1.211 390 G CA -0.349 44.941 45.100 0.317 0.000 0.835 390 G HN 0.236 nan 8.290 nan 0.000 0.604 391 P HA 0.190 nan 4.420 nan 0.000 0.272 391 P C -1.084 176.322 177.300 0.176 0.000 1.230 391 P CA -0.126 63.093 63.100 0.199 0.000 0.788 391 P CB 1.089 32.868 31.700 0.132 0.000 0.949 392 N N 1.653 120.415 118.700 0.102 0.000 2.503 392 N HA 0.056 4.811 4.740 0.024 0.000 0.287 392 N C 0.672 176.031 175.510 -0.251 0.000 1.096 392 N CA -0.709 52.142 53.050 -0.332 0.000 0.936 392 N CB 0.921 38.908 38.487 -0.834 0.000 1.570 392 N HN 0.557 nan 8.380 nan 0.000 0.504 393 W N 3.766 124.904 121.300 -0.270 0.000 2.721 393 W HA 0.149 4.824 4.660 0.025 0.000 0.245 393 W C -0.548 175.860 176.519 -0.185 0.000 1.276 393 W CA 0.147 57.392 57.345 -0.167 0.000 1.342 393 W CB -0.188 29.201 29.460 -0.118 0.000 1.135 393 W HN 0.263 nan 8.180 nan 0.000 0.654 394 V N 2.021 121.358 119.914 -0.961 0.000 3.346 394 V HA 0.222 4.356 4.120 0.024 0.000 0.309 394 V C 1.140 176.808 176.094 -0.711 0.000 1.457 394 V CA -0.200 61.519 62.300 -0.968 0.000 1.069 394 V CB -0.579 30.483 31.823 -1.269 0.000 0.944 394 V HN 0.139 nan 8.190 nan 0.000 0.449 395 R N 0.851 120.869 120.500 -0.803 0.000 3.758 395 R HA -0.217 4.138 4.340 0.024 0.000 0.299 395 R C 0.708 176.196 176.300 -1.354 0.000 1.182 395 R CA 1.080 56.426 56.100 -1.257 0.000 0.809 395 R CB -2.198 27.721 30.300 -0.635 0.000 1.249 395 R HN 0.621 nan 8.270 nan 0.000 0.497 396 N N 1.202 119.299 118.700 -1.005 0.000 3.303 396 N HA 0.040 4.795 4.740 0.024 0.000 0.304 396 N C -0.619 174.650 175.510 -0.402 0.000 1.302 396 N CA -0.158 52.540 53.050 -0.586 0.000 1.213 396 N CB 0.139 38.352 38.487 -0.456 0.000 1.481 396 N HN 0.002 nan 8.380 nan 0.000 0.546 397 F N 0.653 120.580 119.950 -0.038 0.000 2.459 397 F HA 0.221 4.763 4.527 0.024 0.000 0.346 397 F C 1.032 176.959 175.800 0.211 0.000 1.128 397 F CA -0.623 57.444 58.000 0.111 0.000 1.268 397 F CB 0.592 39.627 39.000 0.059 0.000 1.161 397 F HN -0.083 nan 8.300 nan 0.000 0.583 398 V N -1.792 118.425 119.914 0.505 0.000 3.182 398 V HA 0.591 4.725 4.120 0.024 0.000 0.308 398 V C -0.888 175.316 176.094 0.183 0.000 1.240 398 V CA -1.028 61.466 62.300 0.323 0.000 1.063 398 V CB 1.867 33.922 31.823 0.386 0.000 1.076 398 V HN 0.577 nan 8.190 nan 0.000 0.446 399 D N 0.396 120.862 120.400 0.111 0.000 2.383 399 D HA 0.666 5.321 4.640 0.024 0.000 0.248 399 D C -0.414 175.904 176.300 0.030 0.000 1.170 399 D CA 0.412 54.431 54.000 0.032 0.000 0.977 399 D CB 1.851 42.638 40.800 -0.022 0.000 1.120 399 D HN 0.953 nan 8.370 nan 0.000 0.481 400 S N -0.320 115.379 115.700 -0.001 0.000 2.556 400 S HA 0.465 4.950 4.470 0.024 0.000 0.271 400 S C -2.312 172.312 174.600 0.040 0.000 1.135 400 S CA -1.230 56.985 58.200 0.025 0.000 0.858 400 S CB 1.777 64.972 63.200 -0.007 0.000 1.114 400 S HN 0.089 nan 8.310 nan 0.000 0.468 401 P HA 0.202 nan 4.420 nan 0.000 0.221 401 P C -0.379 177.014 177.300 0.155 0.000 1.150 401 P CA 0.927 64.115 63.100 0.147 0.000 0.800 401 P CB 0.067 31.953 31.700 0.310 0.000 0.787 402 I N -0.226 120.439 120.570 0.157 0.000 2.465 402 I HA 0.266 4.450 4.170 0.024 0.000 0.291 402 I C -0.437 175.727 176.117 0.077 0.000 1.014 402 I CA -0.987 60.364 61.300 0.086 0.000 1.093 402 I CB 2.211 40.215 38.000 0.007 0.000 1.267 402 I HN -0.290 nan 8.210 nan 0.000 0.431 403 I N 6.618 127.247 120.570 0.098 0.000 2.406 403 I HA 0.362 4.547 4.170 0.024 0.000 0.290 403 I C -0.081 176.086 176.117 0.083 0.000 0.999 403 I CA -0.756 60.599 61.300 0.091 0.000 1.124 403 I CB 1.847 39.910 38.000 0.106 0.000 1.289 403 I HN 0.133 nan 8.210 nan 0.000 0.441 404 V N 5.265 125.206 119.914 0.044 0.000 2.439 404 V HA 0.287 4.422 4.120 0.024 0.000 0.282 404 V C -0.056 176.046 176.094 0.014 0.000 1.039 404 V CA -0.500 61.812 62.300 0.021 0.000 0.913 404 V CB 1.859 33.688 31.823 0.010 0.000 0.983 404 V HN 0.604 nan 8.190 nan 0.000 0.460 405 D N 4.020 124.401 120.400 -0.032 0.000 2.460 405 D HA 0.390 5.044 4.640 0.024 0.000 0.232 405 D C 0.837 177.143 176.300 0.011 0.000 1.079 405 D CA -0.250 53.763 54.000 0.021 0.000 0.864 405 D CB 1.350 42.196 40.800 0.076 0.000 1.048 405 D HN 0.419 nan 8.370 nan 0.000 0.523 406 I N 1.678 122.262 120.570 0.023 0.000 2.353 406 I HA -0.204 3.981 4.170 0.024 0.000 0.248 406 I C 2.330 178.461 176.117 0.023 0.000 1.119 406 I CA 1.065 62.378 61.300 0.021 0.000 1.417 406 I CB -0.080 37.932 38.000 0.020 0.000 1.078 406 I HN 0.427 nan 8.210 nan 0.000 0.421 407 T N -1.512 113.060 114.554 0.030 0.000 2.962 407 T HA -0.095 4.269 4.350 0.024 0.000 0.270 407 T C 1.604 176.322 174.700 0.030 0.000 1.088 407 T CA 0.787 62.905 62.100 0.030 0.000 1.127 407 T CB -0.182 68.708 68.868 0.036 0.000 0.883 407 T HN 0.321 nan 8.240 nan 0.000 0.493 408 K N 0.601 121.020 120.400 0.032 0.000 2.367 408 K HA 0.098 4.432 4.320 0.024 0.000 0.194 408 K C 0.453 177.055 176.600 0.003 0.000 1.027 408 K CA 0.454 56.756 56.287 0.024 0.000 1.075 408 K CB 0.055 32.581 32.500 0.044 0.000 0.845 408 K HN 0.220 nan 8.250 nan 0.000 0.529 409 D N 2.145 122.548 120.400 0.006 0.000 2.751 409 D HA -0.131 4.524 4.640 0.024 0.000 0.233 409 D C -0.863 175.433 176.300 -0.007 0.000 1.149 409 D CA 1.300 55.308 54.000 0.013 0.000 0.682 409 D CB -0.949 39.862 40.800 0.019 0.000 1.068 409 D HN 0.454 nan 8.370 nan 0.000 0.429 410 T N -1.716 112.798 114.554 -0.068 0.000 2.893 410 T HA 0.718 5.083 4.350 0.024 0.000 0.291 410 T C -0.117 174.408 174.700 -0.292 0.000 1.028 410 T CA -1.045 60.923 62.100 -0.221 0.000 0.995 410 T CB 1.598 70.283 68.868 -0.305 0.000 1.051 410 T HN 0.285 nan 8.240 nan 0.000 0.470 411 F N -0.161 119.527 119.950 -0.436 0.000 2.563 411 F HA 0.798 5.340 4.527 0.024 0.000 0.316 411 F C -1.617 173.874 175.800 -0.514 0.000 1.076 411 F CA -1.817 55.906 58.000 -0.462 0.000 0.921 411 F CB 1.135 39.991 39.000 -0.239 0.000 1.209 411 F HN 0.585 nan 8.300 nan 0.000 0.462 412 Y N 1.224 121.556 120.300 0.054 0.000 2.341 412 Y HA 0.521 5.086 4.550 0.024 0.000 0.337 412 Y C -0.409 175.487 175.900 -0.007 0.000 1.014 412 Y CA -1.077 57.013 58.100 -0.016 0.000 1.111 412 Y CB 1.896 40.344 38.460 -0.021 0.000 1.194 412 Y HN 0.464 nan 8.280 nan 0.000 0.462 413 K N 3.940 124.389 120.400 0.082 0.000 2.281 413 K HA 0.272 4.607 4.320 0.024 0.000 0.272 413 K C -0.501 176.179 176.600 0.134 0.000 1.048 413 K CA -0.636 55.604 56.287 -0.079 0.000 0.898 413 K CB 1.083 33.281 32.500 -0.503 0.000 1.128 413 K HN 0.604 nan 8.250 nan 0.000 0.460 414 Q N 2.335 122.216 119.800 0.135 0.000 2.382 414 Q HA 0.068 4.423 4.340 0.024 0.000 0.229 414 Q C -1.640 174.551 176.000 0.319 0.000 1.006 414 Q CA -1.850 54.063 55.803 0.183 0.000 0.916 414 Q CB 0.352 29.128 28.738 0.064 0.000 1.235 414 Q HN 0.257 nan 8.270 nan 0.000 0.512 415 P HA -0.203 nan 4.420 nan 0.000 0.217 415 P C 1.113 178.584 177.300 0.285 0.000 1.148 415 P CA 1.638 64.999 63.100 0.435 0.000 0.828 415 P CB 0.110 31.988 31.700 0.297 0.000 0.783 416 M N -2.797 116.815 119.600 0.021 0.000 2.108 416 M HA -0.190 4.305 4.480 0.024 0.000 0.261 416 M C 1.975 178.310 176.300 0.059 0.000 1.066 416 M CA 1.790 56.994 55.300 -0.159 0.000 1.107 416 M CB -0.826 31.476 32.600 -0.497 0.000 1.356 416 M HN -0.086 nan 8.290 nan 0.000 0.406 417 F N 0.238 120.152 119.950 -0.059 0.000 2.065 417 F HA -0.321 4.220 4.527 0.023 0.000 0.298 417 F C 1.901 177.592 175.800 -0.181 0.000 1.112 417 F CA 1.899 59.793 58.000 -0.177 0.000 1.212 417 F CB -0.507 38.209 39.000 -0.473 0.000 0.975 417 F HN 0.042 nan 8.300 nan 0.000 0.476 418 Y N -0.939 119.590 120.300 0.381 0.000 2.242 418 Y HA -0.207 4.360 4.550 0.028 0.000 0.291 418 Y C 2.790 178.855 175.900 0.276 0.000 1.137 418 Y CA 1.688 59.976 58.100 0.313 0.000 1.181 418 Y CB -0.980 37.723 38.460 0.406 0.000 0.989 418 Y HN 0.162 nan 8.280 nan 0.000 0.527 419 H N -0.326 118.924 119.070 0.300 0.000 2.387 419 H HA -0.150 4.421 4.556 0.025 0.000 0.299 419 H C 2.245 177.722 175.328 0.250 0.000 1.090 419 H CA 1.673 57.844 56.048 0.204 0.000 1.332 419 H CB -0.192 29.590 29.762 0.032 0.000 1.386 419 H HN 0.361 nan 8.280 nan 0.000 0.516 420 L N -0.301 121.090 121.223 0.279 0.000 2.056 420 L HA -0.073 4.281 4.340 0.024 0.000 0.207 420 L C 2.846 179.751 176.870 0.058 0.000 1.078 420 L CA 1.017 55.966 54.840 0.181 0.000 0.749 420 L CB -0.475 41.711 42.059 0.212 0.000 0.901 420 L HN 0.269 nan 8.230 nan 0.000 0.433 421 G N -1.751 106.994 108.800 -0.092 0.000 2.450 421 G HA2 -0.265 3.709 3.960 0.024 0.000 0.220 421 G HA3 -0.265 3.709 3.960 0.024 0.000 0.220 421 G C 1.329 176.092 174.900 -0.227 0.000 1.130 421 G CA 0.418 45.372 45.100 -0.243 0.000 0.760 421 G HN 0.443 nan 8.290 nan 0.000 0.557 422 H N -0.918 118.081 119.070 -0.119 0.000 2.541 422 H HA -0.018 4.551 4.556 0.023 0.000 0.289 422 H C 1.636 176.694 175.328 -0.451 0.000 1.054 422 H CA 1.085 57.017 56.048 -0.193 0.000 1.250 422 H CB 0.088 29.651 29.762 -0.333 0.000 1.369 422 H HN 0.499 nan 8.280 nan 0.000 0.578 423 F N -0.463 119.375 119.950 -0.186 0.000 2.534 423 F HA -0.067 4.476 4.527 0.027 0.000 0.274 423 F C 2.780 178.173 175.800 -0.678 0.000 0.917 423 F CA 0.525 58.236 58.000 -0.481 0.000 1.145 423 F CB -0.590 37.892 39.000 -0.864 0.000 1.145 423 F HN -0.030 nan 8.300 nan 0.000 0.746 424 S N 0.613 115.934 115.700 -0.631 0.000 2.387 424 S HA -0.283 4.202 4.470 0.024 0.000 0.230 424 S C 1.957 176.379 174.600 -0.296 0.000 1.035 424 S CA 1.702 59.685 58.200 -0.361 0.000 1.014 424 S CB -0.667 62.531 63.200 -0.004 0.000 0.836 424 S HN 0.357 nan 8.310 nan 0.000 0.466 425 K N 0.193 120.256 120.400 -0.562 0.000 2.097 425 K HA 0.049 4.383 4.320 0.024 0.000 0.205 425 K C 0.785 176.838 176.600 -0.913 0.000 1.050 425 K CA 1.372 57.099 56.287 -0.933 0.000 0.938 425 K CB -0.156 31.396 32.500 -1.579 0.000 0.718 425 K HN 0.587 nan 8.250 nan 0.000 0.442 426 F N -0.140 119.670 119.950 -0.232 0.000 2.661 426 F HA 0.316 4.859 4.527 0.028 0.000 0.306 426 F C 0.052 175.815 175.800 -0.062 0.000 1.094 426 F CA -0.473 57.445 58.000 -0.137 0.000 1.254 426 F CB 0.865 39.771 39.000 -0.156 0.000 1.040 426 F HN -0.189 nan 8.300 nan 0.000 0.562 427 I N 2.979 123.555 120.570 0.010 0.000 2.563 427 I HA 0.265 4.449 4.170 0.024 0.000 0.276 427 I C -2.553 173.570 176.117 0.010 0.000 1.074 427 I CA -1.963 59.362 61.300 0.042 0.000 1.124 427 I CB 1.214 39.380 38.000 0.276 0.000 1.225 427 I HN -0.229 nan 8.210 nan 0.000 0.482 428 P HA 0.138 nan 4.420 nan 0.000 0.276 428 P C -0.198 177.084 177.300 -0.032 0.000 1.261 428 P CA -0.381 62.666 63.100 -0.089 0.000 0.800 428 P CB 0.808 32.416 31.700 -0.153 0.000 1.066 429 E N -0.387 119.798 120.200 -0.024 0.000 2.568 429 E HA 0.151 4.516 4.350 0.024 0.000 0.262 429 E C 1.108 177.693 176.600 -0.025 0.000 0.961 429 E CA 1.372 57.749 56.400 -0.038 0.000 0.945 429 E CB -0.589 29.072 29.700 -0.064 0.000 0.924 429 E HN 0.774 nan 8.360 nan 0.000 0.467 430 G N 2.848 111.641 108.800 -0.011 0.000 2.234 430 G HA2 -0.283 3.692 3.960 0.024 0.000 0.235 430 G HA3 -0.283 3.692 3.960 0.024 0.000 0.235 430 G C 0.261 175.176 174.900 0.026 0.000 0.997 430 G CA 0.118 45.223 45.100 0.009 0.000 0.623 430 G HN 0.601 nan 8.290 nan 0.000 0.514 431 S N 0.317 116.031 115.700 0.023 0.000 2.558 431 S HA 0.388 4.873 4.470 0.024 0.000 0.287 431 S C 0.212 174.859 174.600 0.078 0.000 1.321 431 S CA 0.646 58.880 58.200 0.056 0.000 1.048 431 S CB 1.462 64.700 63.200 0.064 0.000 0.844 431 S HN 0.694 nan 8.310 nan 0.000 0.512 432 Q N 1.513 121.367 119.800 0.088 0.000 2.331 432 Q HA 0.332 4.687 4.340 0.024 0.000 0.267 432 Q C -0.401 175.672 176.000 0.121 0.000 1.006 432 Q CA -0.696 55.163 55.803 0.094 0.000 0.818 432 Q CB 1.037 29.814 28.738 0.066 0.000 1.276 432 Q HN 0.585 nan 8.270 nan 0.000 0.450 433 R N 2.458 123.053 120.500 0.158 0.000 2.590 433 R HA 0.299 4.653 4.340 0.024 0.000 0.274 433 R C -0.495 175.986 176.300 0.301 0.000 1.061 433 R CA 0.132 56.352 56.100 0.199 0.000 1.081 433 R CB 0.422 30.823 30.300 0.169 0.000 0.984 433 R HN 0.541 nan 8.270 nan 0.000 0.448 434 V N 0.519 120.598 119.914 0.275 0.000 3.158 434 V HA 0.745 4.879 4.120 0.024 0.000 0.311 434 V C 0.234 176.539 176.094 0.352 0.000 1.181 434 V CA -0.841 61.614 62.300 0.258 0.000 1.054 434 V CB 1.358 33.238 31.823 0.094 0.000 1.085 434 V HN 0.825 nan 8.190 nan 0.000 0.446 435 G N -0.094 108.896 108.800 0.315 0.000 2.527 435 G HA2 0.565 4.539 3.960 0.024 0.000 0.248 435 G HA3 0.565 4.539 3.960 0.024 0.000 0.248 435 G C -1.146 173.838 174.900 0.140 0.000 1.231 435 G CA -0.228 45.047 45.100 0.292 0.000 0.838 435 G HN 1.278 nan 8.290 nan 0.000 0.570 436 L N 1.788 123.065 121.223 0.091 0.000 2.676 436 L HA 0.428 4.783 4.340 0.024 0.000 0.262 436 L C -0.852 176.038 176.870 0.033 0.000 0.965 436 L CA -0.435 54.440 54.840 0.057 0.000 0.920 436 L CB 2.095 44.188 42.059 0.057 0.000 1.260 436 L HN 0.352 nan 8.230 nan 0.000 0.422 437 V N 3.850 123.782 119.914 0.030 0.000 2.398 437 V HA 0.836 4.971 4.120 0.024 0.000 0.286 437 V C 0.609 176.713 176.094 0.016 0.000 1.026 437 V CA -0.355 61.959 62.300 0.023 0.000 0.868 437 V CB 1.374 33.214 31.823 0.029 0.000 0.982 437 V HN 0.867 nan 8.190 nan 0.000 0.443 438 A N 3.284 126.113 122.820 0.015 0.000 2.328 438 A HA 0.518 4.853 4.320 0.024 0.000 0.284 438 A C 1.329 178.925 177.584 0.020 0.000 1.160 438 A CA 0.251 52.296 52.037 0.014 0.000 0.818 438 A CB 0.816 19.824 19.000 0.014 0.000 1.087 438 A HN 1.174 nan 8.150 nan 0.000 0.504 439 S N 1.483 117.197 115.700 0.023 0.000 2.453 439 S HA -0.003 4.482 4.470 0.024 0.000 0.231 439 S C 0.622 175.240 174.600 0.030 0.000 1.005 439 S CA 1.063 59.283 58.200 0.033 0.000 0.949 439 S CB -0.376 62.852 63.200 0.047 0.000 0.774 439 S HN 0.988 nan 8.310 nan 0.000 0.510 440 Q N -0.724 119.091 119.800 0.025 0.000 2.630 440 Q HA 0.458 4.813 4.340 0.024 0.000 0.295 440 Q C -1.422 174.590 176.000 0.020 0.000 0.944 440 Q CA -1.220 54.597 55.803 0.023 0.000 0.766 440 Q CB 0.843 29.595 28.738 0.023 0.000 1.471 440 Q HN 0.063 nan 8.270 nan 0.000 0.416 441 K N 0.839 121.251 120.400 0.020 0.000 2.485 441 K HA 0.101 4.435 4.320 0.024 0.000 0.277 441 K C -0.866 175.745 176.600 0.018 0.000 0.990 441 K CA 0.877 57.176 56.287 0.020 0.000 0.994 441 K CB 0.210 32.721 32.500 0.020 0.000 0.906 441 K HN 0.800 nan 8.250 nan 0.000 0.488 442 N N 0.351 119.063 118.700 0.019 0.000 2.961 442 N HA 0.134 4.889 4.740 0.024 0.000 0.245 442 N C -1.223 174.298 175.510 0.018 0.000 1.404 442 N CA -0.804 52.255 53.050 0.015 0.000 0.880 442 N CB 1.159 39.655 38.487 0.014 0.000 1.461 442 N HN 0.276 nan 8.380 nan 0.000 0.510 443 D N -0.039 120.368 120.400 0.011 0.000 2.340 443 D HA 0.214 4.869 4.640 0.024 0.000 0.217 443 D C -0.124 176.187 176.300 0.018 0.000 1.081 443 D CA 0.162 54.169 54.000 0.011 0.000 0.842 443 D CB 0.290 41.087 40.800 -0.005 0.000 0.934 443 D HN 0.370 nan 8.370 nan 0.000 0.511 444 L N 0.944 122.181 121.223 0.024 0.000 2.399 444 L HA 0.265 4.620 4.340 0.024 0.000 0.266 444 L C 0.327 177.236 176.870 0.065 0.000 1.114 444 L CA -0.472 54.389 54.840 0.036 0.000 0.804 444 L CB 1.096 43.171 42.059 0.026 0.000 1.146 444 L HN -0.278 nan 8.230 nan 0.000 0.451 445 D N 1.802 122.258 120.400 0.094 0.000 2.217 445 D HA 0.662 5.316 4.640 0.024 0.000 0.243 445 D C -0.581 175.787 176.300 0.114 0.000 1.054 445 D CA -0.049 54.029 54.000 0.130 0.000 0.838 445 D CB 2.300 43.231 40.800 0.218 0.000 1.162 445 D HN 0.601 nan 8.370 nan 0.000 0.472 446 A N 1.214 124.092 122.820 0.097 0.000 2.594 446 A HA 0.705 5.040 4.320 0.024 0.000 0.295 446 A C -1.540 176.096 177.584 0.088 0.000 1.071 446 A CA -0.739 51.356 52.037 0.097 0.000 0.685 446 A CB 2.156 21.199 19.000 0.072 0.000 1.285 446 A HN 0.363 nan 8.150 nan 0.000 0.405 447 V N 0.128 120.109 119.914 0.111 0.000 2.882 447 V HA 0.746 4.880 4.120 0.024 0.000 0.295 447 V C -0.890 175.274 176.094 0.117 0.000 1.273 447 V CA 0.328 62.688 62.300 0.100 0.000 0.949 447 V CB 1.705 33.605 31.823 0.129 0.000 1.071 447 V HN 2.286 nan 8.190 nan 0.000 0.432 448 A N 6.531 129.408 122.820 0.096 0.000 2.350 448 A HA 1.018 5.353 4.320 0.024 0.000 0.324 448 A C -1.502 176.140 177.584 0.096 0.000 1.118 448 A CA -0.535 51.558 52.037 0.093 0.000 0.783 448 A CB 1.538 20.594 19.000 0.093 0.000 1.236 448 A HN 0.990 nan 8.150 nan 0.000 0.457 449 L N 0.959 122.228 121.223 0.076 0.000 2.409 449 L HA 0.666 5.020 4.340 0.024 0.000 0.255 449 L C -0.323 176.572 176.870 0.042 0.000 1.027 449 L CA -0.157 54.740 54.840 0.096 0.000 0.834 449 L CB 2.076 44.226 42.059 0.151 0.000 1.426 449 L HN 0.741 nan 8.230 nan 0.000 0.411 450 M N 0.382 120.018 119.600 0.061 0.000 2.311 450 M HA 0.434 4.929 4.480 0.024 0.000 0.325 450 M C -0.701 175.683 176.300 0.140 0.000 1.061 450 M CA -0.469 54.846 55.300 0.025 0.000 0.957 450 M CB 1.718 34.308 32.600 -0.017 0.000 1.646 450 M HN 0.540 nan 8.290 nan 0.000 0.434 451 H N 2.606 121.645 119.070 -0.053 0.000 2.757 451 H HA 0.053 4.624 4.556 0.025 0.000 0.370 451 H C -1.567 173.752 175.328 -0.014 0.000 1.172 451 H CA -1.508 54.532 56.048 -0.012 0.000 1.426 451 H CB 0.445 30.204 29.762 -0.004 0.000 1.438 451 H HN 0.420 nan 8.280 nan 0.000 0.612 452 P HA -0.194 nan 4.420 nan 0.000 0.219 452 P C 0.743 178.072 177.300 0.047 0.000 1.144 452 P CA 1.469 64.604 63.100 0.059 0.000 0.806 452 P CB 0.082 31.806 31.700 0.041 0.000 0.771 453 D N -2.656 117.782 120.400 0.063 0.000 2.339 453 D HA 0.108 4.762 4.640 0.024 0.000 0.217 453 D C 1.450 177.709 176.300 -0.069 0.000 1.050 453 D CA 0.663 54.664 54.000 0.001 0.000 0.856 453 D CB -0.566 40.240 40.800 0.010 0.000 0.922 453 D HN 0.226 nan 8.370 nan 0.000 0.518 454 G N 0.071 108.833 108.800 -0.064 0.000 2.218 454 G HA2 -0.235 3.739 3.960 0.024 0.000 0.216 454 G HA3 -0.235 3.739 3.960 0.024 0.000 0.216 454 G C 0.357 175.137 174.900 -0.199 0.000 0.994 454 G CA 0.153 45.189 45.100 -0.106 0.000 0.637 454 G HN 0.667 nan 8.290 nan 0.000 0.505 455 S N 0.344 115.861 115.700 -0.306 0.000 2.592 455 S HA 0.786 5.270 4.470 0.024 0.000 0.271 455 S C 0.548 174.818 174.600 -0.549 0.000 1.326 455 S CA 0.338 58.245 58.200 -0.488 0.000 1.024 455 S CB 2.099 64.923 63.200 -0.627 0.000 0.921 455 S HN 1.807 nan 8.310 nan 0.000 0.527 456 A N 0.874 123.213 122.820 -0.801 0.000 2.279 456 A HA 0.774 5.108 4.320 0.024 0.000 0.303 456 A C -0.393 176.697 177.584 -0.823 0.000 1.108 456 A CA -0.850 50.625 52.037 -0.938 0.000 0.830 456 A CB 0.935 19.001 19.000 -1.557 0.000 1.106 456 A HN 1.369 nan 8.150 nan 0.000 0.493 457 V N 1.880 121.504 119.914 -0.483 0.000 2.668 457 V HA 0.598 4.732 4.120 0.024 0.000 0.304 457 V C -1.443 174.626 176.094 -0.043 0.000 1.071 457 V CA -0.338 61.850 62.300 -0.188 0.000 0.894 457 V CB 1.880 33.744 31.823 0.069 0.000 1.008 457 V HN 0.805 nan 8.190 nan 0.000 0.425 458 V N 6.870 126.843 119.914 0.098 0.000 2.531 458 V HA 0.578 4.713 4.120 0.024 0.000 0.301 458 V C -0.387 175.827 176.094 0.200 0.000 1.034 458 V CA -0.621 61.797 62.300 0.197 0.000 0.865 458 V CB 2.056 34.058 31.823 0.299 0.000 0.995 458 V HN 0.706 nan 8.190 nan 0.000 0.424 459 V N 5.158 125.142 119.914 0.117 0.000 2.427 459 V HA 0.624 4.759 4.120 0.024 0.000 0.286 459 V C -0.264 175.896 176.094 0.110 0.000 1.034 459 V CA -0.603 61.712 62.300 0.025 0.000 0.893 459 V CB 1.754 33.425 31.823 -0.252 0.000 0.982 459 V HN 0.595 nan 8.190 nan 0.000 0.452 460 V N 5.686 125.667 119.914 0.112 0.000 2.531 460 V HA 0.517 4.651 4.120 0.024 0.000 0.301 460 V C -0.668 175.436 176.094 0.018 0.000 1.034 460 V CA -0.547 61.815 62.300 0.103 0.000 0.865 460 V CB 1.767 33.691 31.823 0.168 0.000 0.995 460 V HN 0.703 nan 8.190 nan 0.000 0.424 461 L N 4.402 125.657 121.223 0.053 0.000 2.341 461 L HA 0.701 5.056 4.340 0.024 0.000 0.278 461 L C -0.520 176.385 176.870 0.058 0.000 1.005 461 L CA 0.006 54.884 54.840 0.063 0.000 0.818 461 L CB 1.747 43.895 42.059 0.148 0.000 1.259 461 L HN 0.633 nan 8.230 nan 0.000 0.418 462 N N 3.881 122.616 118.700 0.058 0.000 2.518 462 N HA 0.376 5.130 4.740 0.024 0.000 0.254 462 N C 0.051 175.615 175.510 0.090 0.000 0.979 462 N CA -0.231 52.837 53.050 0.030 0.000 0.930 462 N CB 1.109 39.574 38.487 -0.037 0.000 1.152 462 N HN 0.702 nan 8.380 nan 0.000 0.505 463 R N 0.499 121.036 120.500 0.062 0.000 2.334 463 R HA 0.128 4.482 4.340 0.024 0.000 0.216 463 R C 0.493 176.805 176.300 0.020 0.000 0.905 463 R CA -0.064 56.118 56.100 0.136 0.000 1.064 463 R CB 0.277 30.620 30.300 0.071 0.000 1.046 463 R HN 0.565 nan 8.270 nan 0.000 0.508 464 S N -0.609 114.987 115.700 -0.174 0.000 2.672 464 S HA 0.110 4.595 4.470 0.024 0.000 0.276 464 S C 1.195 175.334 174.600 -0.768 0.000 1.207 464 S CA -0.484 57.539 58.200 -0.296 0.000 1.002 464 S CB 1.846 64.956 63.200 -0.151 0.000 0.998 464 S HN 0.127 nan 8.310 nan 0.000 0.542 465 S N 0.197 115.518 115.700 -0.631 0.000 2.489 465 S HA 0.119 4.604 4.470 0.024 0.000 0.228 465 S C 0.229 174.671 174.600 -0.262 0.000 0.995 465 S CA -0.062 57.795 58.200 -0.571 0.000 0.934 465 S CB -0.582 62.563 63.200 -0.092 0.000 0.771 465 S HN 0.724 nan 8.310 nan 0.000 0.522 466 K N 2.108 122.393 120.400 -0.191 0.000 2.201 466 K HA 0.370 4.705 4.320 0.024 0.000 0.278 466 K C -1.264 175.280 176.600 -0.093 0.000 1.027 466 K CA -0.638 55.589 56.287 -0.101 0.000 0.909 466 K CB 0.544 33.007 32.500 -0.062 0.000 1.062 466 K HN 0.081 nan 8.250 nan 0.000 0.465 467 D N 1.524 121.891 120.400 -0.055 0.000 2.458 467 D HA 0.055 4.709 4.640 0.024 0.000 0.243 467 D C -0.684 175.604 176.300 -0.020 0.000 1.146 467 D CA 0.111 54.093 54.000 -0.029 0.000 0.877 467 D CB 0.721 41.519 40.800 -0.004 0.000 1.176 467 D HN 0.026 nan 8.370 nan 0.000 0.461 468 V N 4.641 124.546 119.914 -0.014 0.000 2.350 468 V HA 0.325 4.460 4.120 0.024 0.000 0.285 468 V C -2.195 173.904 176.094 0.008 0.000 1.014 468 V CA -1.810 60.486 62.300 -0.007 0.000 0.831 468 V CB 1.518 33.333 31.823 -0.014 0.000 1.000 468 V HN 0.433 nan 8.190 nan 0.000 0.433 469 P HA 0.504 nan 4.420 nan 0.000 0.271 469 P C -0.920 176.379 177.300 -0.001 0.000 1.218 469 P CA -0.144 62.964 63.100 0.015 0.000 0.780 469 P CB 0.815 32.526 31.700 0.019 0.000 0.901 470 L N -1.054 120.154 121.223 -0.024 0.000 2.794 470 L HA 0.716 5.071 4.340 0.024 0.000 0.261 470 L C -1.362 175.426 176.870 -0.138 0.000 0.989 470 L CA -0.398 54.404 54.840 -0.064 0.000 0.900 470 L CB 1.601 43.624 42.059 -0.060 0.000 1.473 470 L HN 0.130 nan 8.230 nan 0.000 0.414 471 T N 2.220 116.661 114.554 -0.189 0.000 2.863 471 T HA 0.753 5.118 4.350 0.024 0.000 0.285 471 T C -0.400 174.141 174.700 -0.265 0.000 1.009 471 T CA -0.219 61.715 62.100 -0.277 0.000 0.989 471 T CB 1.491 70.074 68.868 -0.475 0.000 1.004 471 T HN 0.579 nan 8.240 nan 0.000 0.455 472 I N 2.452 122.813 120.570 -0.348 0.000 2.354 472 I HA 0.401 4.586 4.170 0.024 0.000 0.292 472 I C 0.304 176.194 176.117 -0.378 0.000 0.989 472 I CA -0.737 60.356 61.300 -0.344 0.000 1.188 472 I CB 1.300 39.031 38.000 -0.448 0.000 1.342 472 I HN 0.221 nan 8.210 nan 0.000 0.457 473 K N 5.069 125.284 120.400 -0.308 0.000 2.263 473 K HA 0.255 4.590 4.320 0.024 0.000 0.272 473 K C -1.351 175.066 176.600 -0.304 0.000 1.033 473 K CA -0.442 55.570 56.287 -0.459 0.000 0.884 473 K CB 1.124 33.390 32.500 -0.391 0.000 1.107 473 K HN 0.496 nan 8.250 nan 0.000 0.460 474 D N 5.559 125.748 120.400 -0.352 0.000 2.425 474 D HA 0.270 4.924 4.640 0.024 0.000 0.240 474 D C -1.956 174.239 176.300 -0.174 0.000 1.080 474 D CA -2.371 51.561 54.000 -0.114 0.000 0.836 474 D CB 2.040 42.906 40.800 0.111 0.000 1.125 474 D HN 0.164 nan 8.370 nan 0.000 0.525 475 P HA -0.071 nan 4.420 nan 0.000 0.218 475 P C 1.034 178.312 177.300 -0.036 0.000 1.148 475 P CA 1.138 64.187 63.100 -0.085 0.000 0.822 475 P CB 0.221 31.898 31.700 -0.039 0.000 0.784 476 A N -0.635 122.189 122.820 0.007 0.000 1.978 476 A HA -0.129 4.206 4.320 0.024 0.000 0.220 476 A C 2.035 179.642 177.584 0.039 0.000 1.170 476 A CA 2.596 54.657 52.037 0.040 0.000 0.636 476 A CB -1.211 17.839 19.000 0.083 0.000 0.810 476 A HN 0.244 nan 8.150 nan 0.000 0.448 477 V N -6.551 113.370 119.914 0.010 0.000 3.294 477 V HA 0.628 4.763 4.120 0.024 0.000 0.255 477 V C 1.030 177.094 176.094 -0.050 0.000 1.528 477 V CA 0.807 63.111 62.300 0.007 0.000 1.086 477 V CB -0.403 31.457 31.823 0.062 0.000 0.906 477 V HN 1.670 nan 8.190 nan 0.000 0.433 478 G N 0.836 109.537 108.800 -0.165 0.000 2.250 478 G HA2 0.112 4.087 3.960 0.024 0.000 0.196 478 G HA3 0.112 4.087 3.960 0.024 0.000 0.196 478 G C -1.259 173.357 174.900 -0.474 0.000 1.308 478 G CA -0.231 44.758 45.100 -0.185 0.000 1.207 478 G HN 0.429 nan 8.290 nan 0.000 0.505 479 F N 0.769 120.622 119.950 -0.162 0.000 2.532 479 F HA 0.776 5.316 4.527 0.022 0.000 0.321 479 F C 0.418 176.045 175.800 -0.287 0.000 1.089 479 F CA -0.872 56.988 58.000 -0.234 0.000 0.926 479 F CB 2.068 40.969 39.000 -0.165 0.000 1.168 479 F HN 0.346 nan 8.300 nan 0.000 0.459 480 L N 2.247 123.299 121.223 -0.285 0.000 2.305 480 L HA 0.532 4.887 4.340 0.024 0.000 0.284 480 L C -0.752 175.907 176.870 -0.351 0.000 1.013 480 L CA -0.687 53.880 54.840 -0.455 0.000 0.819 480 L CB 1.679 43.140 42.059 -0.996 0.000 1.227 480 L HN 0.554 nan 8.230 nan 0.000 0.417 481 E N 1.722 121.823 120.200 -0.164 0.000 2.156 481 E HA 0.620 4.985 4.350 0.024 0.000 0.279 481 E C -0.588 175.968 176.600 -0.074 0.000 0.965 481 E CA 0.057 56.400 56.400 -0.095 0.000 0.789 481 E CB 1.952 31.657 29.700 0.007 0.000 1.098 481 E HN 0.561 nan 8.360 nan 0.000 0.397 482 T N 2.400 116.903 114.554 -0.083 0.000 2.749 482 T HA 0.568 4.933 4.350 0.024 0.000 0.310 482 T C -1.602 173.128 174.700 0.050 0.000 1.496 482 T CA -0.574 61.529 62.100 0.005 0.000 1.006 482 T CB 0.511 69.344 68.868 -0.060 0.000 1.457 482 T HN 0.330 nan 8.240 nan 0.000 0.497 483 I N 1.774 122.427 120.570 0.140 0.000 2.474 483 I HA 0.508 4.693 4.170 0.024 0.000 0.294 483 I C 0.031 176.281 176.117 0.222 0.000 1.005 483 I CA -0.749 60.630 61.300 0.131 0.000 1.113 483 I CB 2.184 40.248 38.000 0.106 0.000 1.289 483 I HN 0.449 nan 8.210 nan 0.000 0.436 484 S N 6.741 122.502 115.700 0.102 0.000 2.415 484 S HA 0.461 4.945 4.470 0.024 0.000 0.313 484 S C -2.390 172.199 174.600 -0.019 0.000 1.067 484 S CA -1.544 56.649 58.200 -0.013 0.000 1.099 484 S CB 0.265 63.431 63.200 -0.056 0.000 0.991 484 S HN 0.232 nan 8.310 nan 0.000 0.491 485 P HA 0.232 nan 4.420 nan 0.000 0.274 485 P C 0.228 177.502 177.300 -0.043 0.000 1.246 485 P CA -0.281 62.822 63.100 0.005 0.000 0.795 485 P CB 0.323 32.054 31.700 0.051 0.000 1.006 486 G N 0.432 109.184 108.800 -0.081 0.000 2.441 486 G HA2 0.146 4.121 3.960 0.024 0.000 0.243 486 G HA3 0.146 4.121 3.960 0.024 0.000 0.243 486 G C -0.799 174.033 174.900 -0.112 0.000 1.281 486 G CA -0.298 44.670 45.100 -0.220 0.000 0.854 486 G HN 0.557 nan 8.290 nan 0.000 0.560 487 Y N -0.234 120.130 120.300 0.106 0.000 3.001 487 Y HA -0.213 4.353 4.550 0.026 0.000 0.187 487 Y C 1.077 177.084 175.900 0.178 0.000 1.462 487 Y CA 0.578 58.810 58.100 0.220 0.000 0.936 487 Y CB -1.900 36.581 38.460 0.034 0.000 1.337 487 Y HN 0.955 nan 8.280 nan 0.000 0.428 488 S N 0.164 116.077 115.700 0.356 0.000 2.607 488 S HA 0.883 5.367 4.470 0.024 0.000 0.273 488 S C -0.971 173.738 174.600 0.183 0.000 1.148 488 S CA -0.890 57.471 58.200 0.268 0.000 0.833 488 S CB 3.120 66.348 63.200 0.046 0.000 1.130 488 S HN 0.535 nan 8.310 nan 0.000 0.470 489 I N 1.073 121.683 120.570 0.067 0.000 2.619 489 I HA 0.566 4.751 4.170 0.024 0.000 0.292 489 I C -1.667 174.357 176.117 -0.154 0.000 1.100 489 I CA -0.612 60.553 61.300 -0.226 0.000 1.043 489 I CB 1.798 39.491 38.000 -0.512 0.000 1.239 489 I HN 0.967 nan 8.210 nan 0.000 0.420 490 H N 4.136 123.100 119.070 -0.176 0.000 2.637 490 H HA 0.461 5.025 4.556 0.013 0.000 0.363 490 H C -0.995 174.248 175.328 -0.141 0.000 1.131 490 H CA -0.975 54.982 56.048 -0.152 0.000 1.183 490 H CB 2.225 31.791 29.762 -0.325 0.000 1.637 490 H HN 0.419 nan 8.280 nan 0.000 0.531 491 T N 2.459 117.028 114.554 0.025 0.000 2.824 491 T HA 0.307 4.672 4.350 0.024 0.000 0.280 491 T C -0.893 173.636 174.700 -0.284 0.000 0.995 491 T CA -0.664 61.365 62.100 -0.117 0.000 1.009 491 T CB 0.691 69.401 68.868 -0.263 0.000 0.955 491 T HN 0.339 nan 8.240 nan 0.000 0.452 492 Y N 1.745 122.087 120.300 0.070 0.000 2.376 492 Y HA 0.652 5.210 4.550 0.014 0.000 0.340 492 Y C -0.428 175.594 175.900 0.204 0.000 0.965 492 Y CA -1.189 57.021 58.100 0.184 0.000 1.078 492 Y CB 1.454 40.046 38.460 0.219 0.000 1.193 492 Y HN 0.408 nan 8.280 nan 0.000 0.452 493 L N 3.753 125.224 121.223 0.413 0.000 2.409 493 L HA 0.573 4.928 4.340 0.024 0.000 0.272 493 L C -1.346 175.802 176.870 0.464 0.000 0.980 493 L CA -0.536 54.435 54.840 0.218 0.000 0.826 493 L CB 1.347 43.450 42.059 0.074 0.000 1.268 493 L HN 0.740 nan 8.230 nan 0.000 0.407 494 W N 0.645 122.036 121.300 0.152 0.000 3.107 494 W HA 0.650 5.327 4.660 0.028 0.000 0.331 494 W C -0.964 175.703 176.519 0.247 0.000 1.204 494 W CA -0.890 56.581 57.345 0.210 0.000 1.184 494 W CB 0.465 30.036 29.460 0.185 0.000 1.421 494 W HN 0.264 nan 8.180 nan 0.000 0.544 495 H N 1.415 120.623 119.070 0.229 0.000 2.562 495 H HA 0.408 4.978 4.556 0.024 0.000 0.352 495 H C 0.814 176.270 175.328 0.214 0.000 1.125 495 H CA -0.473 55.642 56.048 0.112 0.000 1.379 495 H CB 1.462 31.279 29.762 0.091 0.000 1.464 495 H HN 0.479 nan 8.280 nan 0.000 0.563 496 R N 1.077 121.669 120.500 0.153 0.000 2.397 496 R HA 0.104 4.459 4.340 0.024 0.000 0.241 496 R C -0.366 176.008 176.300 0.123 0.000 0.914 496 R CA -0.004 56.201 56.100 0.175 0.000 1.071 496 R CB 0.463 30.801 30.300 0.064 0.000 1.116 496 R HN 0.761 nan 8.270 nan 0.000 0.524 497 Q N 0.000 119.872 119.800 0.120 0.000 2.315 497 Q HA 0.000 4.355 4.340 0.024 0.000 0.214 497 Q CA 0.000 55.857 55.803 0.090 0.000 1.022 497 Q CB 0.000 28.768 28.738 0.049 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481