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 1hvx_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAPFNGTMMQ YFEWYLPDDG TLWTKVANEA NNLSSLGITA LWLPPAYKGT DATA SEQUENCE SRSDVGYGVY DLYDLGEFNQ KGAVRTKYGT KAQYLQAIQA AHAAGMQVYA DATA SEQUENCE DVVFDHKGGA DGTEWVDAVE VNPSDRNQEI SGTYQIQAWT KFDFPGRGNT DATA SEQUENCE YSSFKWRWYH FDGVDWDESR KLSRIYKFRG IGKAWDWEVD TENGNYDYLM DATA SEQUENCE YADLDMDHPE VVTELKSWGK WYVNTTNIDG FRLDAVKHIK FSFFPDWLSY DATA SEQUENCE VRSQTGKPLF TVGEYWSYDI NKLHNYIMKT NGTMSLFDAP LHNKFYTASK DATA SEQUENCE SGGTFDMRTL MTNTLMKDQP TLAVTFVDNH DTEPGQALQS WVDPWFKPLA DATA SEQUENCE YAFILTRQEG YPCVFYGDYY GIPQYNIPSL KSKIDPLLIA RRDYAYGTQH DATA SEQUENCE DYLDHSDIIG WTREGVTEKP GSGLAALITD GPGGSKWMYV GKQHAGKVFY DATA SEQUENCE DLTGNRSDTV TINSDGWGEF KVNGGSVSVW VPR 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 0.000 177.547 177.584 -0.062 0.000 1.274 1 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 1 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 2 A N 1.957 124.738 122.820 -0.066 0.000 2.316 2 A HA 0.659 4.999 4.320 0.033 0.000 0.311 2 A C -1.862 175.637 177.584 -0.142 0.000 1.339 2 A CA -1.097 50.855 52.037 -0.140 0.000 0.960 2 A CB -0.724 18.203 19.000 -0.122 0.000 1.152 2 A HN 0.598 nan 8.150 nan 0.000 0.547 3 P HA 0.537 nan 4.420 nan 0.000 0.277 3 P C -1.251 175.883 177.300 -0.277 0.000 1.240 3 P CA -0.075 62.939 63.100 -0.142 0.000 0.798 3 P CB 0.721 32.363 31.700 -0.097 0.000 0.979 4 F N 0.590 120.593 119.950 0.088 0.000 2.573 4 F HA 0.246 4.793 4.527 0.032 0.000 0.316 4 F C 0.584 176.493 175.800 0.181 0.000 1.148 4 F CA -0.719 57.380 58.000 0.166 0.000 0.940 4 F CB 1.562 40.596 39.000 0.057 0.000 1.214 4 F HN 0.155 nan 8.300 nan 0.000 0.448 5 N N 1.179 120.110 118.700 0.385 0.000 2.416 5 N HA 0.243 5.002 4.740 0.033 0.000 0.246 5 N C 0.125 175.715 175.510 0.132 0.000 1.260 5 N CA 0.200 53.331 53.050 0.135 0.000 0.897 5 N CB 1.090 39.551 38.487 -0.044 0.000 1.110 5 N HN 0.797 nan 8.380 nan 0.000 0.439 6 G N -0.303 108.524 108.800 0.046 0.000 2.332 6 G HA2 0.483 4.462 3.960 0.033 0.000 0.310 6 G HA3 0.483 4.462 3.960 0.033 0.000 0.310 6 G C -0.770 174.284 174.900 0.257 0.000 1.123 6 G CA -0.245 44.890 45.100 0.058 0.000 0.873 6 G HN 0.378 nan 8.290 nan 0.000 0.460 7 T N 2.839 117.575 114.554 0.304 0.000 3.011 7 T HA 0.405 4.775 4.350 0.033 0.000 0.303 7 T C -0.190 174.640 174.700 0.217 0.000 0.997 7 T CA -0.458 61.809 62.100 0.278 0.000 1.007 7 T CB 1.559 70.524 68.868 0.162 0.000 1.017 7 T HN 0.568 nan 8.240 nan 0.000 0.443 8 M N 3.951 123.627 119.600 0.127 0.000 2.444 8 M HA 0.751 5.250 4.480 0.033 0.000 0.319 8 M C -1.197 175.199 176.300 0.160 0.000 1.183 8 M CA -0.886 54.458 55.300 0.074 0.000 1.032 8 M CB 1.595 34.127 32.600 -0.112 0.000 1.569 8 M HN 0.733 nan 8.290 nan 0.000 0.468 9 M N 3.442 123.170 119.600 0.213 0.000 2.224 9 M HA 0.263 4.762 4.480 0.033 0.000 0.281 9 M C -1.425 175.088 176.300 0.354 0.000 1.025 9 M CA -0.476 54.980 55.300 0.260 0.000 0.954 9 M CB 2.100 34.812 32.600 0.187 0.000 1.639 9 M HN 0.757 nan 8.290 nan 0.000 0.461 10 Q N 3.322 123.324 119.800 0.337 0.000 2.307 10 Q HA 0.054 4.414 4.340 0.033 0.000 0.261 10 Q C -1.586 174.475 176.000 0.101 0.000 1.051 10 Q CA 0.057 55.904 55.803 0.073 0.000 0.911 10 Q CB 0.522 29.118 28.738 -0.238 0.000 1.227 10 Q HN 0.775 nan 8.270 nan 0.000 0.418 11 Y N 7.359 127.690 120.300 0.053 0.000 2.903 11 Y HA 0.230 4.799 4.550 0.032 0.000 0.387 11 Y C -1.353 174.553 175.900 0.010 0.000 1.189 11 Y CA -0.525 57.682 58.100 0.177 0.000 1.856 11 Y CB -0.248 38.339 38.460 0.212 0.000 1.917 11 Y HN 0.559 nan 8.280 nan 0.000 0.448 12 F N -0.890 118.723 119.950 -0.562 0.000 2.829 12 F HA 0.537 5.083 4.527 0.032 0.000 0.319 12 F C -1.860 173.678 175.800 -0.437 0.000 1.153 12 F CA -1.637 55.867 58.000 -0.826 0.000 0.912 12 F CB 0.760 39.383 39.000 -0.628 0.000 1.292 12 F HN 0.017 nan 8.300 nan 0.000 0.447 13 E N 1.324 121.356 120.200 -0.279 0.000 2.429 13 E HA 0.274 4.643 4.350 0.033 0.000 0.276 13 E C -0.453 176.247 176.600 0.166 0.000 0.953 13 E CA -0.965 55.467 56.400 0.054 0.000 0.787 13 E CB 1.475 31.233 29.700 0.098 0.000 1.307 13 E HN 0.791 nan 8.360 nan 0.000 0.458 14 W N 1.151 122.489 121.300 0.062 0.000 2.333 14 W HA -0.170 4.509 4.660 0.031 0.000 0.316 14 W C 0.053 176.443 176.519 -0.215 0.000 1.215 14 W CA 1.354 58.619 57.345 -0.133 0.000 1.278 14 W CB -0.032 29.152 29.460 -0.459 0.000 1.154 14 W HN 0.680 nan 8.180 nan 0.000 0.486 15 Y N 0.887 121.374 120.300 0.312 0.000 2.471 15 Y HA 0.188 4.759 4.550 0.034 0.000 0.321 15 Y C 0.927 176.857 175.900 0.050 0.000 1.195 15 Y CA 0.023 58.233 58.100 0.183 0.000 1.272 15 Y CB -1.305 37.286 38.460 0.219 0.000 1.097 15 Y HN -0.371 nan 8.280 nan 0.000 0.507 16 L N 3.713 124.976 121.223 0.066 0.000 2.461 16 L HA 0.110 4.469 4.340 0.033 0.000 0.272 16 L C -1.754 175.089 176.870 -0.045 0.000 1.197 16 L CA -1.823 53.014 54.840 -0.005 0.000 0.836 16 L CB 0.322 42.329 42.059 -0.087 0.000 1.105 16 L HN 0.037 nan 8.230 nan 0.000 0.477 17 P HA 0.007 nan 4.420 nan 0.000 0.274 17 P C -1.023 176.192 177.300 -0.142 0.000 1.231 17 P CA -0.406 62.652 63.100 -0.070 0.000 0.790 17 P CB 0.773 32.444 31.700 -0.049 0.000 0.951 18 D N 1.445 121.754 120.400 -0.153 0.000 2.517 18 D HA 0.049 4.709 4.640 0.033 0.000 0.220 18 D C -0.007 176.194 176.300 -0.166 0.000 1.158 18 D CA -0.109 53.765 54.000 -0.211 0.000 0.992 18 D CB -0.680 40.004 40.800 -0.194 0.000 1.058 18 D HN 0.210 nan 8.370 nan 0.000 0.516 19 D N 1.188 121.488 120.400 -0.167 0.000 2.527 19 D HA 0.148 4.808 4.640 0.033 0.000 0.224 19 D C 1.320 177.547 176.300 -0.121 0.000 1.217 19 D CA -0.036 53.893 54.000 -0.119 0.000 0.819 19 D CB -0.340 40.410 40.800 -0.083 0.000 1.061 19 D HN 0.305 nan 8.370 nan 0.000 0.515 20 G N 1.072 109.764 108.800 -0.180 0.000 2.323 20 G HA2 -0.308 3.672 3.960 0.033 0.000 0.292 20 G HA3 -0.308 3.672 3.960 0.033 0.000 0.292 20 G C 0.833 175.664 174.900 -0.115 0.000 1.040 20 G CA 1.122 46.121 45.100 -0.169 0.000 0.942 20 G HN 0.694 nan 8.290 nan 0.000 0.506 21 T N -3.547 110.935 114.554 -0.120 0.000 3.003 21 T HA 0.347 4.717 4.350 0.033 0.000 0.261 21 T C 2.085 176.762 174.700 -0.038 0.000 1.003 21 T CA 0.803 62.871 62.100 -0.053 0.000 0.917 21 T CB 0.223 69.071 68.868 -0.034 0.000 1.084 21 T HN 0.500 nan 8.240 nan 0.000 0.522 22 L N 0.800 121.945 121.223 -0.131 0.000 2.012 22 L HA 0.199 4.559 4.340 0.033 0.000 0.210 22 L C 2.098 179.033 176.870 0.108 0.000 1.073 22 L CA 1.721 56.503 54.840 -0.096 0.000 0.748 22 L CB -0.889 41.008 42.059 -0.270 0.000 0.891 22 L HN 0.452 nan 8.230 nan 0.000 0.431 23 W N -0.862 120.501 121.300 0.104 0.000 2.342 23 W HA -0.220 4.460 4.660 0.033 0.000 0.297 23 W C 2.338 178.890 176.519 0.056 0.000 1.213 23 W CA 0.760 58.160 57.345 0.091 0.000 1.251 23 W CB -0.784 28.747 29.460 0.119 0.000 1.136 23 W HN 0.086 nan 8.180 nan 0.000 0.526 24 T N 0.340 115.052 114.554 0.262 0.000 2.746 24 T HA -0.244 4.126 4.350 0.033 0.000 0.267 24 T C 1.676 176.452 174.700 0.128 0.000 1.039 24 T CA 1.610 63.802 62.100 0.153 0.000 1.142 24 T CB -0.315 68.613 68.868 0.100 0.000 0.866 24 T HN 0.132 nan 8.240 nan 0.000 0.444 25 K N 0.816 121.302 120.400 0.143 0.000 2.057 25 K HA -0.090 4.249 4.320 0.033 0.000 0.207 25 K C 2.195 178.897 176.600 0.170 0.000 1.049 25 K CA 1.009 57.389 56.287 0.155 0.000 0.931 25 K CB -0.295 32.314 32.500 0.181 0.000 0.714 25 K HN 0.140 nan 8.250 nan 0.000 0.440 26 V N 1.314 121.335 119.914 0.179 0.000 2.287 26 V HA -0.275 3.865 4.120 0.033 0.000 0.248 26 V C 2.449 178.520 176.094 -0.037 0.000 1.053 26 V CA 2.071 64.363 62.300 -0.012 0.000 1.027 26 V CB -0.773 31.069 31.823 0.032 0.000 0.646 26 V HN 0.508 nan 8.190 nan 0.000 0.447 27 A N 0.226 123.058 122.820 0.020 0.000 1.933 27 A HA -0.210 4.130 4.320 0.033 0.000 0.218 27 A C 2.038 179.622 177.584 -0.001 0.000 1.175 27 A CA 1.991 54.023 52.037 -0.009 0.000 0.628 27 A CB -0.596 18.410 19.000 0.010 0.000 0.814 27 A HN 0.593 nan 8.150 nan 0.000 0.444 28 N N -0.176 118.542 118.700 0.030 0.000 2.270 28 N HA -0.061 4.699 4.740 0.033 0.000 0.181 28 N C 1.210 176.745 175.510 0.042 0.000 1.016 28 N CA 1.061 54.133 53.050 0.036 0.000 0.870 28 N CB -0.110 38.408 38.487 0.052 0.000 0.979 28 N HN 0.454 nan 8.380 nan 0.000 0.431 29 E N 0.329 120.559 120.200 0.050 0.000 2.472 29 E HA 0.224 4.593 4.350 0.033 0.000 0.196 29 E C 1.663 178.267 176.600 0.007 0.000 1.033 29 E CA -0.061 56.382 56.400 0.072 0.000 0.886 29 E CB 0.062 29.873 29.700 0.186 0.000 0.944 29 E HN 0.189 nan 8.360 nan 0.000 0.492 30 A N 2.113 124.903 122.820 -0.050 0.000 1.896 30 A HA -0.328 4.012 4.320 0.033 0.000 0.220 30 A C 1.990 179.541 177.584 -0.055 0.000 1.206 30 A CA 2.350 54.337 52.037 -0.083 0.000 0.647 30 A CB -0.933 18.010 19.000 -0.094 0.000 0.828 30 A HN 0.276 nan 8.150 nan 0.000 0.455 31 N N -0.205 118.475 118.700 -0.033 0.000 2.188 31 N HA -0.129 4.631 4.740 0.033 0.000 0.184 31 N C 1.551 177.054 175.510 -0.012 0.000 1.018 31 N CA 1.344 54.378 53.050 -0.027 0.000 0.858 31 N CB -0.206 38.269 38.487 -0.019 0.000 0.989 31 N HN 0.528 nan 8.380 nan 0.000 0.426 32 N N 0.687 119.395 118.700 0.012 0.000 2.058 32 N HA -0.078 4.682 4.740 0.033 0.000 0.191 32 N C 1.612 177.135 175.510 0.022 0.000 1.037 32 N CA 0.852 53.923 53.050 0.036 0.000 0.848 32 N CB -0.449 38.086 38.487 0.080 0.000 1.021 32 N HN 0.236 nan 8.380 nan 0.000 0.422 33 L N -0.014 121.212 121.223 0.005 0.000 2.046 33 L HA -0.109 4.251 4.340 0.033 0.000 0.208 33 L C 2.484 179.325 176.870 -0.049 0.000 1.077 33 L CA 1.006 55.823 54.840 -0.038 0.000 0.747 33 L CB -0.604 41.418 42.059 -0.061 0.000 0.896 33 L HN 0.173 nan 8.230 nan 0.000 0.432 34 S N 0.038 115.706 115.700 -0.054 0.000 2.359 34 S HA -0.215 4.275 4.470 0.033 0.000 0.224 34 S C 2.264 176.826 174.600 -0.063 0.000 1.035 34 S CA 1.823 59.981 58.200 -0.069 0.000 1.018 34 S CB -0.288 62.866 63.200 -0.077 0.000 0.876 34 S HN 0.609 nan 8.310 nan 0.000 0.448 35 S N 1.084 116.760 115.700 -0.039 0.000 2.419 35 S HA 0.030 4.520 4.470 0.033 0.000 0.233 35 S C 1.705 176.305 174.600 -0.000 0.000 1.016 35 S CA 1.061 59.247 58.200 -0.024 0.000 0.974 35 S CB -0.682 62.515 63.200 -0.005 0.000 0.786 35 S HN 0.566 nan 8.310 nan 0.000 0.492 36 L N 0.840 122.066 121.223 0.004 0.000 2.554 36 L HA 0.294 4.653 4.340 0.033 0.000 0.226 36 L C 1.872 178.762 176.870 0.033 0.000 1.137 36 L CA 0.481 55.336 54.840 0.025 0.000 0.863 36 L CB -0.362 41.708 42.059 0.019 0.000 0.985 36 L HN 0.632 nan 8.230 nan 0.000 0.451 37 G N -0.199 108.606 108.800 0.010 0.000 2.163 37 G HA2 -0.195 3.785 3.960 0.033 0.000 0.213 37 G HA3 -0.195 3.785 3.960 0.033 0.000 0.213 37 G C 0.180 175.094 174.900 0.023 0.000 0.991 37 G CA -0.663 44.457 45.100 0.033 0.000 0.653 37 G HN 0.068 nan 8.290 nan 0.000 0.518 38 I N 2.618 123.182 120.570 -0.010 0.000 2.471 38 I HA 0.251 4.441 4.170 0.033 0.000 0.286 38 I C 1.831 177.935 176.117 -0.021 0.000 1.079 38 I CA 1.244 62.540 61.300 -0.006 0.000 1.398 38 I CB 0.710 38.685 38.000 -0.041 0.000 1.403 38 I HN 0.310 nan 8.210 nan 0.000 0.530 39 T N 1.965 116.526 114.554 0.011 0.000 3.001 39 T HA 0.550 4.919 4.350 0.033 0.000 0.251 39 T C 0.453 175.124 174.700 -0.047 0.000 1.040 39 T CA -0.007 62.083 62.100 -0.016 0.000 0.985 39 T CB 0.509 69.386 68.868 0.016 0.000 1.011 39 T HN 0.672 nan 8.240 nan 0.000 0.509 40 A N 0.846 123.632 122.820 -0.057 0.000 2.589 40 A HA 0.724 5.064 4.320 0.033 0.000 0.296 40 A C -1.724 175.765 177.584 -0.159 0.000 1.062 40 A CA -0.934 50.972 52.037 -0.217 0.000 0.686 40 A CB 1.122 19.887 19.000 -0.391 0.000 1.282 40 A HN 0.340 nan 8.150 nan 0.000 0.404 41 L N 1.283 122.384 121.223 -0.202 0.000 2.365 41 L HA 0.543 4.903 4.340 0.033 0.000 0.273 41 L C -0.978 175.991 176.870 0.165 0.000 1.000 41 L CA -0.497 54.350 54.840 0.012 0.000 0.819 41 L CB 1.932 43.971 42.059 -0.035 0.000 1.284 41 L HN 0.850 nan 8.230 nan 0.000 0.418 42 W N 5.980 127.408 121.300 0.212 0.000 2.291 42 W HA 0.571 5.254 4.660 0.038 0.000 0.312 42 W C -1.611 175.150 176.519 0.404 0.000 1.061 42 W CA -1.200 56.366 57.345 0.368 0.000 1.296 42 W CB 0.364 30.106 29.460 0.471 0.000 1.223 42 W HN 0.285 nan 8.180 nan 0.000 0.421 43 L N 9.248 130.820 121.223 0.581 0.000 2.360 43 L HA 0.485 4.844 4.340 0.033 0.000 0.271 43 L C -1.338 175.585 176.870 0.089 0.000 1.057 43 L CA -2.141 52.889 54.840 0.316 0.000 0.803 43 L CB 1.323 43.587 42.059 0.342 0.000 1.207 43 L HN 0.278 nan 8.230 nan 0.000 0.445 44 P HA 0.179 nan 4.420 nan 0.000 0.274 44 P C -2.663 174.302 177.300 -0.558 0.000 1.260 44 P CA -1.701 60.688 63.100 -1.185 0.000 0.793 44 P CB -0.478 29.921 31.700 -2.169 0.000 1.048 45 P HA -0.005 nan 4.420 nan 0.000 0.260 45 P C 0.329 177.259 177.300 -0.617 0.000 1.185 45 P CA 0.697 63.381 63.100 -0.694 0.000 0.763 45 P CB -0.179 31.043 31.700 -0.797 0.000 0.776 46 A N 3.568 126.012 122.820 -0.626 0.000 2.275 46 A HA 0.094 4.434 4.320 0.033 0.000 0.212 46 A C 0.201 177.670 177.584 -0.191 0.000 1.201 46 A CA 0.387 52.233 52.037 -0.319 0.000 0.843 46 A CB -0.800 17.716 19.000 -0.808 0.000 0.873 46 A HN 0.579 nan 8.150 nan 0.000 0.492 47 Y N -2.219 118.121 120.300 0.068 0.000 2.432 47 Y HA 0.689 5.260 4.550 0.034 0.000 0.322 47 Y C 0.314 176.261 175.900 0.079 0.000 1.246 47 Y CA -2.586 55.574 58.100 0.099 0.000 1.268 47 Y CB 0.342 38.837 38.460 0.059 0.000 1.276 47 Y HN -0.114 nan 8.280 nan 0.000 0.499 48 K N 1.226 121.820 120.400 0.323 0.000 2.472 48 K HA 0.327 4.667 4.320 0.033 0.000 0.280 48 K C 0.223 176.976 176.600 0.255 0.000 1.028 48 K CA 0.633 57.078 56.287 0.263 0.000 1.045 48 K CB -0.066 32.650 32.500 0.359 0.000 0.902 48 K HN 0.961 nan 8.250 nan 0.000 0.478 49 G N 1.154 110.029 108.800 0.124 0.000 2.606 49 G HA2 0.092 4.072 3.960 0.033 0.000 0.262 49 G HA3 0.092 4.072 3.960 0.033 0.000 0.262 49 G C 0.604 175.536 174.900 0.053 0.000 1.394 49 G CA 0.009 45.158 45.100 0.082 0.000 1.044 49 G HN 0.685 nan 8.290 nan 0.000 0.553 50 T N -2.652 111.883 114.554 -0.031 0.000 2.977 50 T HA 0.144 4.514 4.350 0.033 0.000 0.271 50 T C 1.017 175.638 174.700 -0.132 0.000 1.105 50 T CA 1.320 63.354 62.100 -0.111 0.000 1.116 50 T CB -0.452 68.334 68.868 -0.137 0.000 0.878 50 T HN 1.350 nan 8.240 nan 0.000 0.509 51 S N -1.132 114.510 115.700 -0.097 0.000 2.636 51 S HA 0.470 4.959 4.470 0.033 0.000 0.268 51 S C 0.400 174.940 174.600 -0.101 0.000 1.159 51 S CA -1.012 57.127 58.200 -0.102 0.000 0.815 51 S CB 1.632 64.773 63.200 -0.099 0.000 1.130 51 S HN 0.079 nan 8.310 nan 0.000 0.471 52 R N 0.441 120.880 120.500 -0.101 0.000 2.120 52 R HA -0.018 4.341 4.340 0.033 0.000 0.234 52 R C 1.309 177.491 176.300 -0.196 0.000 1.123 52 R CA 1.874 57.898 56.100 -0.126 0.000 0.975 52 R CB -0.604 29.634 30.300 -0.104 0.000 0.866 52 R HN 0.696 nan 8.270 nan 0.000 0.446 53 S N 0.504 116.099 115.700 -0.175 0.000 2.562 53 S HA -0.029 4.461 4.470 0.033 0.000 0.221 53 S C 0.165 174.618 174.600 -0.245 0.000 0.975 53 S CA -0.133 57.941 58.200 -0.210 0.000 0.918 53 S CB -0.027 63.090 63.200 -0.140 0.000 0.772 53 S HN 0.301 nan 8.310 nan 0.000 0.531 54 D N 1.677 121.950 120.400 -0.211 0.000 2.493 54 D HA 0.005 4.665 4.640 0.033 0.000 0.240 54 D C 1.179 177.280 176.300 -0.333 0.000 1.142 54 D CA 0.139 54.020 54.000 -0.198 0.000 0.872 54 D CB 1.139 41.866 40.800 -0.122 0.000 1.173 54 D HN -0.061 nan 8.370 nan 0.000 0.467 55 V N 3.610 123.296 119.914 -0.381 0.000 2.594 55 V HA -0.057 4.082 4.120 0.033 0.000 0.253 55 V C 1.894 177.726 176.094 -0.437 0.000 1.069 55 V CA 1.902 63.892 62.300 -0.518 0.000 1.082 55 V CB -0.451 30.837 31.823 -0.891 0.000 0.680 55 V HN 0.938 nan 8.190 nan 0.000 0.469 56 G N -2.199 106.374 108.800 -0.379 0.000 2.551 56 G HA2 -0.219 3.760 3.960 0.033 0.000 0.186 56 G HA3 -0.219 3.760 3.960 0.033 0.000 0.186 56 G C 0.473 175.128 174.900 -0.409 0.000 1.002 56 G CA 0.113 44.948 45.100 -0.441 0.000 0.723 56 G HN 0.398 nan 8.290 nan 0.000 0.481 57 Y N 1.437 121.771 120.300 0.058 0.000 2.546 57 Y HA 0.378 4.947 4.550 0.031 0.000 0.287 57 Y C 2.214 178.287 175.900 0.290 0.000 1.158 57 Y CA 0.653 58.864 58.100 0.184 0.000 1.307 57 Y CB 0.350 38.966 38.460 0.259 0.000 1.036 57 Y HN 0.324 nan 8.280 nan 0.000 0.532 58 G N 0.784 109.735 108.800 0.252 0.000 4.126 58 G HA2 0.313 4.292 3.960 0.033 0.000 0.282 58 G HA3 0.313 4.292 3.960 0.033 0.000 0.282 58 G C -0.598 174.313 174.900 0.018 0.000 1.221 58 G CA -0.314 44.871 45.100 0.142 0.000 1.527 58 G HN 0.069 nan 8.290 nan 0.000 0.612 59 V N 1.880 121.831 119.914 0.062 0.000 2.599 59 V HA 0.161 4.300 4.120 0.033 0.000 0.300 59 V C 0.934 177.035 176.094 0.012 0.000 1.034 59 V CA 0.270 62.592 62.300 0.037 0.000 1.115 59 V CB 0.757 32.554 31.823 -0.044 0.000 0.934 59 V HN 0.591 nan 8.190 nan 0.000 0.485 60 Y N 4.820 125.109 120.300 -0.017 0.000 2.447 60 Y HA 0.417 4.988 4.550 0.035 0.000 0.286 60 Y C 0.674 176.639 175.900 0.108 0.000 1.153 60 Y CA 0.708 58.856 58.100 0.079 0.000 1.241 60 Y CB 0.498 39.047 38.460 0.148 0.000 1.284 60 Y HN 0.662 nan 8.280 nan 0.000 0.520 61 D N 0.281 120.609 120.400 -0.120 0.000 2.542 61 D HA 0.244 4.903 4.640 0.033 0.000 0.252 61 D C 0.301 176.482 176.300 -0.199 0.000 1.222 61 D CA -0.162 53.667 54.000 -0.285 0.000 0.895 61 D CB 1.158 41.846 40.800 -0.187 0.000 1.207 61 D HN 0.319 nan 8.370 nan 0.000 0.558 62 L N 2.741 123.662 121.223 -0.503 0.000 2.265 62 L HA -0.108 4.252 4.340 0.033 0.000 0.215 62 L C 1.027 177.789 176.870 -0.179 0.000 1.117 62 L CA 0.900 55.269 54.840 -0.786 0.000 0.782 62 L CB -0.230 40.877 42.059 -1.587 0.000 0.914 62 L HN 0.521 nan 8.230 nan 0.000 0.441 63 Y N -1.838 118.444 120.300 -0.030 0.000 2.457 63 Y HA 0.074 4.643 4.550 0.031 0.000 0.263 63 Y C 0.682 176.835 175.900 0.423 0.000 1.164 63 Y CA -0.344 57.813 58.100 0.095 0.000 1.274 63 Y CB 0.177 38.509 38.460 -0.213 0.000 1.097 63 Y HN -0.012 nan 8.280 nan 0.000 0.523 64 D N 0.774 121.487 120.400 0.522 0.000 2.485 64 D HA 0.202 4.862 4.640 0.033 0.000 0.229 64 D C -0.239 176.367 176.300 0.510 0.000 1.101 64 D CA -0.103 54.279 54.000 0.637 0.000 0.906 64 D CB 0.302 41.437 40.800 0.559 0.000 1.019 64 D HN 0.214 nan 8.370 nan 0.000 0.516 65 L N 2.949 124.469 121.223 0.495 0.000 2.939 65 L HA 0.327 4.686 4.340 0.033 0.000 0.239 65 L C 1.250 178.278 176.870 0.263 0.000 1.325 65 L CA -0.307 54.748 54.840 0.358 0.000 1.170 65 L CB -0.338 41.937 42.059 0.360 0.000 1.538 65 L HN 0.635 nan 8.230 nan 0.000 0.452 66 G N 0.983 109.938 108.800 0.259 0.000 2.291 66 G HA2 -0.271 3.708 3.960 0.033 0.000 0.271 66 G HA3 -0.271 3.708 3.960 0.033 0.000 0.271 66 G C 0.366 175.344 174.900 0.130 0.000 1.099 66 G CA 0.550 45.767 45.100 0.194 0.000 0.919 66 G HN 0.636 nan 8.290 nan 0.000 0.496 67 E N -1.510 118.738 120.200 0.079 0.000 2.467 67 E HA 0.388 4.757 4.350 0.033 0.000 0.213 67 E C 0.142 176.506 176.600 -0.393 0.000 0.823 67 E CA -0.266 56.017 56.400 -0.196 0.000 1.233 67 E CB 0.499 29.988 29.700 -0.352 0.000 1.233 67 E HN 0.369 nan 8.360 nan 0.000 0.585 68 F N 0.980 121.053 119.950 0.206 0.000 2.538 68 F HA 0.366 4.912 4.527 0.032 0.000 0.325 68 F C 0.284 176.176 175.800 0.153 0.000 1.066 68 F CA -1.274 56.832 58.000 0.176 0.000 0.946 68 F CB 0.961 40.081 39.000 0.200 0.000 1.199 68 F HN -0.197 nan 8.300 nan 0.000 0.473 69 N N 2.781 121.669 118.700 0.313 0.000 2.508 69 N HA 0.139 4.898 4.740 0.033 0.000 0.253 69 N C -1.336 174.296 175.510 0.203 0.000 1.145 69 N CA 0.125 53.295 53.050 0.200 0.000 0.973 69 N CB -0.194 38.379 38.487 0.143 0.000 1.305 69 N HN 0.632 nan 8.380 nan 0.000 0.506 70 Q N 1.813 121.733 119.800 0.200 0.000 2.379 70 Q HA 0.322 4.682 4.340 0.033 0.000 0.278 70 Q C -0.408 175.626 176.000 0.058 0.000 1.068 70 Q CA -0.946 54.957 55.803 0.167 0.000 0.816 70 Q CB 1.777 30.715 28.738 0.333 0.000 1.387 70 Q HN 0.191 nan 8.270 nan 0.000 0.413 71 K N 0.071 120.429 120.400 -0.069 0.000 3.129 71 K HA -0.234 4.105 4.320 0.033 0.000 0.273 71 K C 0.537 177.093 176.600 -0.073 0.000 1.123 71 K CA 1.059 57.262 56.287 -0.140 0.000 0.800 71 K CB -1.900 30.490 32.500 -0.183 0.000 1.238 71 K HN 1.247 nan 8.250 nan 0.000 0.492 72 G N -1.857 106.920 108.800 -0.039 0.000 2.199 72 G HA2 -0.132 3.848 3.960 0.033 0.000 0.254 72 G HA3 -0.132 3.848 3.960 0.033 0.000 0.254 72 G C 0.199 175.094 174.900 -0.008 0.000 0.982 72 G CA 0.613 45.697 45.100 -0.028 0.000 0.632 72 G HN 1.427 nan 8.290 nan 0.000 0.529 73 A N -2.151 120.677 122.820 0.013 0.000 2.564 73 A HA 0.830 5.169 4.320 0.033 0.000 0.291 73 A C 0.683 178.306 177.584 0.065 0.000 1.102 73 A CA 0.480 52.532 52.037 0.025 0.000 0.660 73 A CB 0.435 19.433 19.000 -0.004 0.000 1.283 73 A HN 1.018 nan 8.150 nan 0.000 0.430 74 V N 0.473 120.426 119.914 0.064 0.000 2.436 74 V HA 0.054 4.194 4.120 0.033 0.000 0.240 74 V C 1.398 177.546 176.094 0.089 0.000 1.040 74 V CA 1.905 64.259 62.300 0.090 0.000 1.052 74 V CB -0.621 31.242 31.823 0.067 0.000 0.707 74 V HN 0.942 nan 8.190 nan 0.000 0.469 75 R N 1.688 122.221 120.500 0.055 0.000 2.615 75 R HA 0.329 4.689 4.340 0.033 0.000 0.270 75 R C 0.322 176.631 176.300 0.015 0.000 1.081 75 R CA 0.218 56.349 56.100 0.051 0.000 1.154 75 R CB 0.289 30.603 30.300 0.023 0.000 1.063 75 R HN 0.373 nan 8.270 nan 0.000 0.519 76 T N -1.694 112.865 114.554 0.009 0.000 2.852 76 T HA 0.125 4.495 4.350 0.033 0.000 0.281 76 T C 1.013 175.553 174.700 -0.267 0.000 0.993 76 T CA -0.704 61.345 62.100 -0.084 0.000 0.933 76 T CB 0.871 69.729 68.868 -0.016 0.000 1.187 76 T HN 0.781 nan 8.240 nan 0.000 0.559 77 K N -0.784 119.308 120.400 -0.513 0.000 2.280 77 K HA -0.123 4.217 4.320 0.033 0.000 0.202 77 K C 1.295 177.391 176.600 -0.841 0.000 1.047 77 K CA 1.280 57.135 56.287 -0.722 0.000 0.942 77 K CB -0.285 31.608 32.500 -1.012 0.000 0.739 77 K HN 0.705 nan 8.250 nan 0.000 0.457 78 Y N -0.732 119.249 120.300 -0.532 0.000 2.503 78 Y HA 0.273 4.843 4.550 0.033 0.000 0.278 78 Y C 1.258 176.608 175.900 -0.916 0.000 1.111 78 Y CA 0.382 57.915 58.100 -0.946 0.000 1.270 78 Y CB 0.769 38.210 38.460 -1.698 0.000 1.063 78 Y HN 0.220 nan 8.280 nan 0.000 0.548 79 G N -0.606 108.012 108.800 -0.303 0.000 2.350 79 G HA2 0.227 4.207 3.960 0.033 0.000 0.282 79 G HA3 0.227 4.207 3.960 0.033 0.000 0.282 79 G C -0.695 174.372 174.900 0.279 0.000 1.314 79 G CA -0.569 44.551 45.100 0.033 0.000 0.915 79 G HN 0.171 nan 8.290 nan 0.000 0.499 80 T N -1.469 113.281 114.554 0.326 0.000 2.897 80 T HA 0.587 4.957 4.350 0.033 0.000 0.278 80 T C 1.341 176.206 174.700 0.275 0.000 0.981 80 T CA 0.428 62.675 62.100 0.245 0.000 0.973 80 T CB 1.879 70.837 68.868 0.149 0.000 1.092 80 T HN 0.653 nan 8.240 nan 0.000 0.543 81 K N 0.394 120.902 120.400 0.180 0.000 2.026 81 K HA -0.084 4.256 4.320 0.033 0.000 0.208 81 K C 2.412 179.077 176.600 0.108 0.000 1.048 81 K CA 1.750 58.131 56.287 0.157 0.000 0.929 81 K CB -1.167 31.409 32.500 0.127 0.000 0.713 81 K HN 0.760 nan 8.250 nan 0.000 0.439 82 A N 1.194 124.063 122.820 0.083 0.000 1.933 82 A HA -0.201 4.139 4.320 0.033 0.000 0.218 82 A C 2.141 179.749 177.584 0.040 0.000 1.175 82 A CA 1.628 53.691 52.037 0.043 0.000 0.628 82 A CB -0.444 18.581 19.000 0.042 0.000 0.814 82 A HN 0.528 nan 8.150 nan 0.000 0.444 83 Q N -2.209 117.658 119.800 0.112 0.000 2.119 83 Q HA -0.165 4.195 4.340 0.033 0.000 0.201 83 Q C 2.006 178.040 176.000 0.056 0.000 0.972 83 Q CA 1.554 57.450 55.803 0.154 0.000 0.847 83 Q CB -0.315 28.610 28.738 0.312 0.000 0.903 83 Q HN 0.816 nan 8.270 nan 0.000 0.433 84 Y N 1.044 121.158 120.300 -0.309 0.000 2.145 84 Y HA -0.227 4.341 4.550 0.031 0.000 0.286 84 Y C 1.721 177.323 175.900 -0.496 0.000 1.145 84 Y CA 1.055 58.654 58.100 -0.835 0.000 1.148 84 Y CB -0.198 37.712 38.460 -0.918 0.000 0.981 84 Y HN 0.039 nan 8.280 nan 0.000 0.507 85 L N 0.548 121.563 121.223 -0.346 0.000 2.083 85 L HA -0.224 4.135 4.340 0.033 0.000 0.209 85 L C 2.403 179.087 176.870 -0.311 0.000 1.083 85 L CA 1.715 56.324 54.840 -0.384 0.000 0.752 85 L CB -1.279 40.650 42.059 -0.217 0.000 0.899 85 L HN 0.323 nan 8.230 nan 0.000 0.433 86 Q N -1.301 118.383 119.800 -0.194 0.000 2.167 86 Q HA -0.124 4.236 4.340 0.033 0.000 0.202 86 Q C 2.326 178.224 176.000 -0.171 0.000 0.970 86 Q CA 1.357 57.076 55.803 -0.139 0.000 0.855 86 Q CB -0.228 28.476 28.738 -0.057 0.000 0.911 86 Q HN 0.554 nan 8.270 nan 0.000 0.438 87 A N 1.035 123.735 122.820 -0.201 0.000 1.902 87 A HA -0.163 4.176 4.320 0.033 0.000 0.217 87 A C 2.024 179.410 177.584 -0.330 0.000 1.181 87 A CA 1.082 53.002 52.037 -0.195 0.000 0.623 87 A CB -0.576 18.343 19.000 -0.134 0.000 0.818 87 A HN 0.292 nan 8.150 nan 0.000 0.443 88 I N -0.604 119.661 120.570 -0.509 0.000 2.286 88 I HA -0.260 3.929 4.170 0.033 0.000 0.248 88 I C 2.702 178.471 176.117 -0.580 0.000 1.115 88 I CA 1.043 61.956 61.300 -0.645 0.000 1.392 88 I CB -0.323 37.212 38.000 -0.775 0.000 1.065 88 I HN 0.313 nan 8.210 nan 0.000 0.418 89 Q N 0.694 120.272 119.800 -0.369 0.000 2.050 89 Q HA -0.154 4.206 4.340 0.033 0.000 0.202 89 Q C 2.493 178.396 176.000 -0.161 0.000 0.980 89 Q CA 1.974 57.645 55.803 -0.220 0.000 0.840 89 Q CB -0.516 28.131 28.738 -0.152 0.000 0.898 89 Q HN 0.566 nan 8.270 nan 0.000 0.424 90 A N 0.915 123.638 122.820 -0.161 0.000 1.902 90 A HA -0.090 4.250 4.320 0.033 0.000 0.217 90 A C 2.322 179.832 177.584 -0.123 0.000 1.181 90 A CA 2.008 53.975 52.037 -0.115 0.000 0.623 90 A CB -0.729 18.212 19.000 -0.098 0.000 0.818 90 A HN 0.366 nan 8.150 nan 0.000 0.443 91 A N -0.706 122.002 122.820 -0.186 0.000 1.877 91 A HA -0.208 4.132 4.320 0.033 0.000 0.216 91 A C 1.961 179.503 177.584 -0.070 0.000 1.186 91 A CA 1.756 53.691 52.037 -0.169 0.000 0.620 91 A CB -1.086 17.765 19.000 -0.249 0.000 0.822 91 A HN 0.761 nan 8.150 nan 0.000 0.443 92 H N -0.892 118.090 119.070 -0.148 0.000 2.353 92 H HA -0.033 4.542 4.556 0.032 0.000 0.300 92 H C 2.505 177.765 175.328 -0.114 0.000 1.090 92 H CA 0.700 56.668 56.048 -0.134 0.000 1.327 92 H CB 0.001 29.678 29.762 -0.141 0.000 1.383 92 H HN 0.567 nan 8.280 nan 0.000 0.508 93 A N 1.019 123.853 122.820 0.023 0.000 1.978 93 A HA -0.093 4.246 4.320 0.033 0.000 0.220 93 A C 2.346 179.907 177.584 -0.039 0.000 1.170 93 A CA 1.385 53.409 52.037 -0.021 0.000 0.636 93 A CB -0.560 18.419 19.000 -0.035 0.000 0.810 93 A HN 0.465 nan 8.150 nan 0.000 0.448 94 A N -1.907 120.885 122.820 -0.047 0.000 2.251 94 A HA 0.428 4.768 4.320 0.033 0.000 0.209 94 A C 1.671 179.211 177.584 -0.074 0.000 1.187 94 A CA 1.098 53.098 52.037 -0.061 0.000 0.823 94 A CB -0.881 18.079 19.000 -0.068 0.000 0.846 94 A HN 1.880 nan 8.150 nan 0.000 0.486 95 G N -1.387 107.375 108.800 -0.063 0.000 2.136 95 G HA2 -0.234 3.745 3.960 0.033 0.000 0.242 95 G HA3 -0.234 3.745 3.960 0.033 0.000 0.242 95 G C 0.052 174.905 174.900 -0.078 0.000 0.989 95 G CA 0.485 45.536 45.100 -0.082 0.000 0.682 95 G HN 0.411 nan 8.290 nan 0.000 0.522 96 M N -0.160 119.410 119.600 -0.051 0.000 2.598 96 M HA 0.498 4.998 4.480 0.033 0.000 0.317 96 M C 0.476 176.770 176.300 -0.011 0.000 1.201 96 M CA -0.579 54.685 55.300 -0.060 0.000 0.971 96 M CB 1.625 34.170 32.600 -0.092 0.000 1.657 96 M HN 0.181 nan 8.290 nan 0.000 0.470 97 Q N 0.737 120.490 119.800 -0.078 0.000 2.214 97 Q HA 0.641 5.000 4.340 0.033 0.000 0.251 97 Q C -1.303 174.563 176.000 -0.223 0.000 0.936 97 Q CA -0.798 54.956 55.803 -0.080 0.000 0.894 97 Q CB 2.433 31.117 28.738 -0.089 0.000 1.252 97 Q HN 0.441 nan 8.270 nan 0.000 0.448 98 V N 2.333 122.159 119.914 -0.145 0.000 2.487 98 V HA 0.327 4.467 4.120 0.033 0.000 0.298 98 V C -1.335 174.779 176.094 0.034 0.000 1.028 98 V CA -0.814 61.393 62.300 -0.154 0.000 0.860 98 V CB 0.795 32.501 31.823 -0.195 0.000 0.991 98 V HN 0.579 nan 8.190 nan 0.000 0.427 99 Y N 2.529 122.930 120.300 0.168 0.000 2.360 99 Y HA 0.779 5.351 4.550 0.037 0.000 0.337 99 Y C 0.473 176.559 175.900 0.310 0.000 1.039 99 Y CA -1.525 56.698 58.100 0.204 0.000 1.109 99 Y CB 1.744 40.366 38.460 0.271 0.000 1.201 99 Y HN 0.699 nan 8.280 nan 0.000 0.458 100 A N 2.520 125.640 122.820 0.501 0.000 2.305 100 A HA 0.399 4.739 4.320 0.033 0.000 0.322 100 A C -0.483 177.448 177.584 0.579 0.000 1.187 100 A CA -0.717 51.669 52.037 0.582 0.000 0.825 100 A CB 0.458 19.915 19.000 0.760 0.000 1.164 100 A HN 0.676 nan 8.150 nan 0.000 0.498 101 D N 1.583 122.277 120.400 0.490 0.000 2.348 101 D HA 0.353 5.013 4.640 0.033 0.000 0.253 101 D C -0.809 175.685 176.300 0.323 0.000 1.161 101 D CA 0.467 54.701 54.000 0.389 0.000 0.876 101 D CB 1.159 42.181 40.800 0.371 0.000 1.160 101 D HN 0.131 nan 8.370 nan 0.000 0.459 102 V N 4.527 124.548 119.914 0.178 0.000 2.378 102 V HA 0.219 4.359 4.120 0.033 0.000 0.288 102 V C 0.096 176.049 176.094 -0.235 0.000 1.016 102 V CA -0.805 61.432 62.300 -0.106 0.000 0.840 102 V CB 1.834 33.406 31.823 -0.418 0.000 0.994 102 V HN 0.304 nan 8.190 nan 0.000 0.431 103 V N 6.132 125.914 119.914 -0.219 0.000 2.275 103 V HA 0.384 4.524 4.120 0.033 0.000 0.272 103 V C 0.053 176.018 176.094 -0.214 0.000 1.028 103 V CA -0.084 62.133 62.300 -0.139 0.000 0.810 103 V CB 0.811 32.654 31.823 0.034 0.000 1.043 103 V HN 0.774 nan 8.190 nan 0.000 0.453 104 F N 1.477 121.275 119.950 -0.254 0.000 2.706 104 F HA 0.182 4.724 4.527 0.026 0.000 0.308 104 F C 1.771 177.375 175.800 -0.326 0.000 1.095 104 F CA -0.434 57.350 58.000 -0.359 0.000 1.244 104 F CB -0.066 38.718 39.000 -0.361 0.000 1.063 104 F HN 0.539 nan 8.300 nan 0.000 0.582 105 D N -0.486 119.854 120.400 -0.099 0.000 2.117 105 D HA -0.129 4.531 4.640 0.033 0.000 0.197 105 D C 0.800 177.071 176.300 -0.049 0.000 0.987 105 D CA 1.483 55.441 54.000 -0.069 0.000 0.829 105 D CB 0.186 41.000 40.800 0.024 0.000 0.961 105 D HN 0.391 nan 8.370 nan 0.000 0.460 106 H N -2.767 116.297 119.070 -0.009 0.000 2.942 106 H HA 0.578 5.155 4.556 0.035 0.000 0.316 106 H C -1.172 174.105 175.328 -0.085 0.000 1.323 106 H CA -1.166 54.881 56.048 -0.002 0.000 1.144 106 H CB 1.063 30.841 29.762 0.027 0.000 1.866 106 H HN -0.160 nan 8.280 nan 0.000 0.545 107 K N 0.260 120.699 120.400 0.064 0.000 2.513 107 K HA 0.522 4.861 4.320 0.033 0.000 0.251 107 K C -1.097 175.489 176.600 -0.023 0.000 0.939 107 K CA -0.491 55.688 56.287 -0.180 0.000 0.793 107 K CB 2.811 34.961 32.500 -0.583 0.000 1.241 107 K HN 0.917 nan 8.250 nan 0.000 0.431 108 G N -0.218 108.511 108.800 -0.118 0.000 2.730 108 G HA2 0.573 4.553 3.960 0.033 0.000 0.289 108 G HA3 0.573 4.553 3.960 0.033 0.000 0.289 108 G C 0.165 175.099 174.900 0.058 0.000 1.341 108 G CA -0.375 44.521 45.100 -0.339 0.000 0.932 108 G HN 0.852 nan 8.290 nan 0.000 0.481 109 G N -1.392 107.342 108.800 -0.111 0.000 2.160 109 G HA2 0.217 4.196 3.960 0.033 0.000 0.244 109 G HA3 0.217 4.196 3.960 0.033 0.000 0.244 109 G C 0.690 175.506 174.900 -0.140 0.000 1.022 109 G CA 0.552 45.573 45.100 -0.132 0.000 0.741 109 G HN 2.036 nan 8.290 nan 0.000 0.508 110 A N -0.211 122.408 122.820 -0.336 0.000 2.561 110 A HA 0.411 4.751 4.320 0.033 0.000 0.234 110 A C 1.362 178.782 177.584 -0.273 0.000 1.055 110 A CA 0.978 52.499 52.037 -0.859 0.000 0.756 110 A CB 0.307 18.952 19.000 -0.593 0.000 0.986 110 A HN 0.347 nan 8.150 nan 0.000 0.505 111 D N 1.057 121.290 120.400 -0.279 0.000 2.269 111 D HA 0.138 4.797 4.640 0.033 0.000 0.208 111 D C 0.917 177.254 176.300 0.062 0.000 0.963 111 D CA 1.738 55.701 54.000 -0.062 0.000 0.864 111 D CB 0.265 41.029 40.800 -0.061 0.000 0.936 111 D HN 0.744 nan 8.370 nan 0.000 0.505 112 G N -0.346 108.467 108.800 0.022 0.000 2.608 112 G HA2 0.413 4.393 3.960 0.033 0.000 0.291 112 G HA3 0.413 4.393 3.960 0.033 0.000 0.291 112 G C -0.747 173.953 174.900 -0.334 0.000 1.425 112 G CA -0.479 44.559 45.100 -0.102 0.000 0.787 112 G HN 0.025 nan 8.290 nan 0.000 0.484 113 T N -1.956 112.220 114.554 -0.630 0.000 2.936 113 T HA 0.814 5.184 4.350 0.033 0.000 0.282 113 T C -0.451 173.980 174.700 -0.448 0.000 1.003 113 T CA -0.631 61.034 62.100 -0.725 0.000 1.005 113 T CB 2.440 70.652 68.868 -1.093 0.000 1.097 113 T HN 0.511 nan 8.240 nan 0.000 0.532 114 E N -0.420 119.513 120.200 -0.445 0.000 2.356 114 E HA 0.272 4.642 4.350 0.033 0.000 0.275 114 E C -1.554 174.760 176.600 -0.476 0.000 0.904 114 E CA -0.684 55.528 56.400 -0.313 0.000 0.757 114 E CB 1.839 31.478 29.700 -0.101 0.000 1.232 114 E HN 0.648 nan 8.360 nan 0.000 0.442 115 W N 1.983 123.111 121.300 -0.285 0.000 2.311 115 W HA 0.395 5.074 4.660 0.033 0.000 0.310 115 W C -0.443 175.770 176.519 -0.510 0.000 1.274 115 W CA -0.155 56.988 57.345 -0.337 0.000 1.215 115 W CB 0.835 30.141 29.460 -0.257 0.000 1.227 115 W HN 0.109 nan 8.180 nan 0.000 0.523 116 V N 3.524 123.202 119.914 -0.393 0.000 2.925 116 V HA 0.211 4.351 4.120 0.033 0.000 0.311 116 V C -0.496 175.280 176.094 -0.529 0.000 1.104 116 V CA -1.213 60.635 62.300 -0.754 0.000 0.954 116 V CB 2.144 33.271 31.823 -1.159 0.000 1.022 116 V HN 0.275 nan 8.190 nan 0.000 0.427 117 D N 2.774 122.860 120.400 -0.523 0.000 2.312 117 D HA 0.675 5.334 4.640 0.033 0.000 0.252 117 D C 0.007 176.159 176.300 -0.247 0.000 1.150 117 D CA 0.447 54.263 54.000 -0.305 0.000 0.870 117 D CB 1.969 42.637 40.800 -0.219 0.000 1.153 117 D HN 0.856 nan 8.370 nan 0.000 0.457 118 A N 1.864 124.555 122.820 -0.215 0.000 2.564 118 A HA 0.725 5.065 4.320 0.033 0.000 0.288 118 A C -1.325 176.206 177.584 -0.088 0.000 1.164 118 A CA -0.708 51.282 52.037 -0.077 0.000 0.712 118 A CB 2.041 21.021 19.000 -0.033 0.000 1.303 118 A HN 0.352 nan 8.150 nan 0.000 0.418 119 V N -0.060 119.884 119.914 0.050 0.000 2.841 119 V HA 0.498 4.637 4.120 0.033 0.000 0.310 119 V C -0.849 175.341 176.094 0.160 0.000 1.090 119 V CA -0.552 61.807 62.300 0.098 0.000 0.930 119 V CB 1.968 33.836 31.823 0.076 0.000 1.014 119 V HN 1.001 nan 8.190 nan 0.000 0.425 120 E N 3.368 123.671 120.200 0.173 0.000 2.331 120 E HA 0.538 4.908 4.350 0.033 0.000 0.272 120 E C -0.697 175.942 176.600 0.065 0.000 1.036 120 E CA -0.319 56.117 56.400 0.061 0.000 0.864 120 E CB 1.891 31.627 29.700 0.061 0.000 1.035 120 E HN 0.705 nan 8.360 nan 0.000 0.408 121 V N -0.004 119.938 119.914 0.046 0.000 3.001 121 V HA 0.421 4.561 4.120 0.033 0.000 0.314 121 V C -0.248 175.867 176.094 0.035 0.000 1.099 121 V CA -1.331 61.026 62.300 0.095 0.000 0.989 121 V CB 1.936 33.905 31.823 0.244 0.000 1.040 121 V HN 0.542 nan 8.190 nan 0.000 0.434 122 N N 3.235 121.956 118.700 0.036 0.000 2.438 122 N HA 0.266 5.026 4.740 0.033 0.000 0.267 122 N C -1.743 173.752 175.510 -0.025 0.000 1.222 122 N CA -1.617 51.433 53.050 0.001 0.000 0.930 122 N CB 1.292 39.783 38.487 0.007 0.000 1.083 122 N HN 0.472 nan 8.380 nan 0.000 0.476 123 P HA -0.077 nan 4.420 nan 0.000 0.217 123 P C 0.502 177.746 177.300 -0.094 0.000 1.148 123 P CA 1.286 64.344 63.100 -0.070 0.000 0.828 123 P CB 0.334 32.000 31.700 -0.058 0.000 0.783 124 S N -2.151 113.507 115.700 -0.071 0.000 2.548 124 S HA 0.030 4.519 4.470 0.033 0.000 0.215 124 S C 0.525 175.082 174.600 -0.072 0.000 0.976 124 S CA 0.313 58.465 58.200 -0.079 0.000 0.908 124 S CB -0.186 62.985 63.200 -0.049 0.000 0.781 124 S HN 0.113 nan 8.310 nan 0.000 0.519 125 D N 0.275 120.643 120.400 -0.053 0.000 2.584 125 D HA 0.258 4.917 4.640 0.033 0.000 0.238 125 D C 0.284 176.584 176.300 -0.000 0.000 1.302 125 D CA -0.232 53.751 54.000 -0.029 0.000 0.884 125 D CB 0.217 41.013 40.800 -0.007 0.000 1.456 125 D HN -0.256 nan 8.370 nan 0.000 0.528 126 R N 0.619 121.102 120.500 -0.029 0.000 2.355 126 R HA 0.056 4.415 4.340 0.033 0.000 0.219 126 R C 1.414 177.846 176.300 0.220 0.000 1.107 126 R CA 0.576 56.696 56.100 0.034 0.000 1.021 126 R CB -0.112 30.038 30.300 -0.249 0.000 0.852 126 R HN 0.283 nan 8.270 nan 0.000 0.475 127 N N 0.108 118.891 118.700 0.138 0.000 2.446 127 N HA -0.083 4.677 4.740 0.033 0.000 0.179 127 N C 0.088 175.668 175.510 0.116 0.000 1.054 127 N CA 0.422 53.565 53.050 0.156 0.000 0.905 127 N CB 0.228 38.755 38.487 0.067 0.000 0.973 127 N HN 0.337 nan 8.380 nan 0.000 0.448 128 Q N 1.584 121.438 119.800 0.090 0.000 2.331 128 Q HA 0.124 4.483 4.340 0.033 0.000 0.257 128 Q C -0.963 175.084 176.000 0.078 0.000 0.957 128 Q CA -0.240 55.603 55.803 0.066 0.000 0.923 128 Q CB 0.724 29.486 28.738 0.040 0.000 1.212 128 Q HN 0.155 nan 8.270 nan 0.000 0.443 129 E N 3.964 124.207 120.200 0.072 0.000 2.338 129 E HA 0.120 4.490 4.350 0.033 0.000 0.272 129 E C 0.450 177.086 176.600 0.059 0.000 1.029 129 E CA -0.045 56.399 56.400 0.073 0.000 0.872 129 E CB 0.833 30.572 29.700 0.065 0.000 1.015 129 E HN 0.677 nan 8.360 nan 0.000 0.417 130 I N -0.918 119.689 120.570 0.062 0.000 3.947 130 I HA 0.259 4.448 4.170 0.033 0.000 0.327 130 I C -0.002 176.153 176.117 0.064 0.000 1.519 130 I CA -0.383 60.947 61.300 0.050 0.000 1.122 130 I CB 0.356 38.376 38.000 0.034 0.000 1.146 130 I HN 0.292 nan 8.210 nan 0.000 0.442 131 S N -0.478 115.277 115.700 0.092 0.000 2.672 131 S HA 0.790 5.280 4.470 0.033 0.000 0.271 131 S C -0.107 174.571 174.600 0.130 0.000 1.171 131 S CA -0.255 58.017 58.200 0.120 0.000 0.817 131 S CB 1.019 64.346 63.200 0.210 0.000 1.150 131 S HN 0.256 nan 8.310 nan 0.000 0.478 132 G N -0.027 108.859 108.800 0.143 0.000 2.535 132 G HA2 0.545 4.525 3.960 0.033 0.000 0.303 132 G HA3 0.545 4.525 3.960 0.033 0.000 0.303 132 G C -0.552 174.479 174.900 0.218 0.000 1.237 132 G CA -0.582 44.597 45.100 0.131 0.000 0.986 132 G HN 0.823 nan 8.290 nan 0.000 0.494 133 T N 0.581 115.228 114.554 0.155 0.000 2.869 133 T HA 0.484 4.854 4.350 0.033 0.000 0.295 133 T C -0.755 174.080 174.700 0.225 0.000 0.987 133 T CA 0.563 62.744 62.100 0.136 0.000 1.109 133 T CB 0.322 69.222 68.868 0.054 0.000 0.932 133 T HN 0.554 nan 8.240 nan 0.000 0.518 134 Y N -0.330 119.971 120.300 0.002 0.000 2.609 134 Y HA 0.517 5.087 4.550 0.034 0.000 0.336 134 Y C -0.797 175.072 175.900 -0.052 0.000 1.129 134 Y CA -1.515 56.573 58.100 -0.021 0.000 1.040 134 Y CB 1.084 39.543 38.460 -0.002 0.000 1.310 134 Y HN 0.362 nan 8.280 nan 0.000 0.460 135 Q N 3.257 123.098 119.800 0.069 0.000 2.288 135 Q HA 0.514 4.874 4.340 0.033 0.000 0.258 135 Q C -0.447 175.582 176.000 0.049 0.000 0.957 135 Q CA -0.399 55.408 55.803 0.007 0.000 0.919 135 Q CB 1.701 30.477 28.738 0.063 0.000 1.185 135 Q HN 0.771 nan 8.270 nan 0.000 0.408 136 I N -1.173 119.302 120.570 -0.158 0.000 2.957 136 I HA 0.464 4.654 4.170 0.033 0.000 0.310 136 I C -0.722 175.111 176.117 -0.473 0.000 1.063 136 I CA -1.193 59.916 61.300 -0.317 0.000 1.033 136 I CB 2.104 39.693 38.000 -0.686 0.000 1.230 136 I HN 0.405 nan 8.210 nan 0.000 0.447 137 Q N 2.705 122.063 119.800 -0.735 0.000 2.431 137 Q HA 0.667 5.026 4.340 0.033 0.000 0.249 137 Q C -1.050 174.563 176.000 -0.645 0.000 1.025 137 Q CA -0.655 54.505 55.803 -1.071 0.000 0.835 137 Q CB 1.472 29.433 28.738 -1.296 0.000 1.207 137 Q HN 0.884 nan 8.270 nan 0.000 0.490 138 A N 3.373 125.891 122.820 -0.503 0.000 2.312 138 A HA 0.432 4.772 4.320 0.033 0.000 0.328 138 A C -1.404 176.039 177.584 -0.235 0.000 1.158 138 A CA -0.619 51.298 52.037 -0.199 0.000 0.821 138 A CB 0.537 19.564 19.000 0.045 0.000 1.170 138 A HN 0.863 nan 8.150 nan 0.000 0.490 139 W N 1.980 123.300 121.300 0.034 0.000 2.247 139 W HA 0.365 5.043 4.660 0.031 0.000 0.394 139 W C 0.812 177.324 176.519 -0.013 0.000 0.939 139 W CA 0.497 57.830 57.345 -0.021 0.000 1.548 139 W CB 0.615 30.079 29.460 0.007 0.000 1.610 139 W HN 0.790 nan 8.180 nan 0.000 0.336 140 T N -1.943 112.697 114.554 0.143 0.000 3.087 140 T HA 0.153 4.523 4.350 0.033 0.000 0.283 140 T C 0.323 175.242 174.700 0.364 0.000 0.956 140 T CA -0.561 61.728 62.100 0.315 0.000 0.894 140 T CB 0.081 69.219 68.868 0.450 0.000 1.160 140 T HN 0.136 nan 8.240 nan 0.000 0.532 141 K N 1.327 121.755 120.400 0.047 0.000 2.267 141 K HA 0.501 4.841 4.320 0.033 0.000 0.282 141 K C -1.588 174.909 176.600 -0.172 0.000 1.078 141 K CA -0.767 55.533 56.287 0.022 0.000 0.903 141 K CB 0.171 32.641 32.500 -0.049 0.000 1.111 141 K HN 0.155 nan 8.250 nan 0.000 0.475 142 F N 3.443 123.398 119.950 0.008 0.000 2.403 142 F HA 0.237 4.786 4.527 0.037 0.000 0.355 142 F C 0.524 175.989 175.800 -0.559 0.000 1.119 142 F CA -0.620 57.206 58.000 -0.291 0.000 1.007 142 F CB 1.641 40.452 39.000 -0.314 0.000 1.194 142 F HN 0.589 nan 8.300 nan 0.000 0.443 143 D N 2.787 122.937 120.400 -0.417 0.000 2.454 143 D HA 0.060 4.720 4.640 0.033 0.000 0.214 143 D C 0.053 176.256 176.300 -0.162 0.000 1.088 143 D CA 0.361 54.209 54.000 -0.254 0.000 0.855 143 D CB 0.322 41.081 40.800 -0.068 0.000 1.025 143 D HN 0.408 nan 8.370 nan 0.000 0.502 144 F N 0.483 120.559 119.950 0.211 0.000 2.807 144 F HA -0.156 4.390 4.527 0.033 0.000 0.297 144 F C -1.420 174.440 175.800 0.100 0.000 1.024 144 F CA -0.454 57.651 58.000 0.175 0.000 1.008 144 F CB -1.865 37.159 39.000 0.040 0.000 1.142 144 F HN 0.098 nan 8.300 nan 0.000 0.829 145 P HA -0.163 nan 4.420 nan 0.000 0.219 145 P C 1.727 179.102 177.300 0.125 0.000 1.146 145 P CA 2.094 65.272 63.100 0.130 0.000 0.808 145 P CB 0.091 31.851 31.700 0.100 0.000 0.779 146 G N -0.147 108.756 108.800 0.172 0.000 2.430 146 G HA2 -0.161 3.819 3.960 0.033 0.000 0.216 146 G HA3 -0.161 3.819 3.960 0.033 0.000 0.216 146 G C 1.869 176.811 174.900 0.069 0.000 1.146 146 G CA 0.284 45.489 45.100 0.174 0.000 0.793 146 G HN 0.272 nan 8.290 nan 0.000 0.537 147 R N -0.335 120.077 120.500 -0.147 0.000 2.128 147 R HA 0.336 4.696 4.340 0.033 0.000 0.211 147 R C 1.706 177.785 176.300 -0.370 0.000 1.067 147 R CA 1.247 56.915 56.100 -0.719 0.000 1.010 147 R CB -0.168 29.542 30.300 -0.983 0.000 0.922 147 R HN 0.379 nan 8.270 nan 0.000 0.457 148 G N 0.826 109.555 108.800 -0.118 0.000 2.527 148 G HA2 -0.337 3.642 3.960 0.033 0.000 0.268 148 G HA3 -0.337 3.642 3.960 0.033 0.000 0.268 148 G C -0.010 174.833 174.900 -0.095 0.000 1.175 148 G CA 0.216 45.281 45.100 -0.058 0.000 0.962 148 G HN 0.427 nan 8.290 nan 0.000 0.560 149 N N 1.446 120.082 118.700 -0.107 0.000 2.268 149 N HA 0.168 4.928 4.740 0.033 0.000 0.204 149 N C 0.545 175.931 175.510 -0.207 0.000 1.124 149 N CA 0.871 53.845 53.050 -0.126 0.000 0.838 149 N CB 0.223 38.668 38.487 -0.070 0.000 0.994 149 N HN 0.579 nan 8.380 nan 0.000 0.489 150 T N 1.408 115.784 114.554 -0.297 0.000 2.867 150 T HA -0.018 4.352 4.350 0.033 0.000 0.297 150 T C 0.426 174.820 174.700 -0.510 0.000 0.989 150 T CA 0.321 62.157 62.100 -0.440 0.000 1.159 150 T CB 0.402 68.953 68.868 -0.529 0.000 0.928 150 T HN 0.274 nan 8.240 nan 0.000 0.538 151 Y N 0.232 120.441 120.300 -0.153 0.000 2.865 151 Y HA -0.272 4.298 4.550 0.033 0.000 0.480 151 Y C 0.962 176.517 175.900 -0.574 0.000 1.252 151 Y CA 1.224 59.117 58.100 -0.345 0.000 2.596 151 Y CB -1.735 36.396 38.460 -0.547 0.000 0.917 151 Y HN 0.734 nan 8.280 nan 0.000 0.522 152 S N -0.647 114.741 115.700 -0.521 0.000 2.543 152 S HA 0.574 5.064 4.470 0.033 0.000 0.273 152 S C 0.354 174.792 174.600 -0.271 0.000 1.152 152 S CA -0.036 57.868 58.200 -0.493 0.000 0.910 152 S CB 1.280 63.882 63.200 -0.997 0.000 1.105 152 S HN 0.623 nan 8.310 nan 0.000 0.465 153 S N 3.385 119.021 115.700 -0.106 0.000 2.556 153 S HA 0.277 4.766 4.470 0.033 0.000 0.216 153 S C 0.285 174.910 174.600 0.042 0.000 0.970 153 S CA -0.325 57.857 58.200 -0.030 0.000 0.912 153 S CB -0.434 62.753 63.200 -0.021 0.000 0.790 153 S HN 0.629 nan 8.310 nan 0.000 0.504 154 F N 3.941 123.825 119.950 -0.110 0.000 2.602 154 F HA 0.295 4.847 4.527 0.041 0.000 0.385 154 F C 0.283 176.107 175.800 0.039 0.000 1.063 154 F CA 0.137 58.062 58.000 -0.125 0.000 1.233 154 F CB 0.460 39.305 39.000 -0.258 0.000 1.067 154 F HN -0.093 nan 8.300 nan 0.000 0.564 155 K N 6.214 126.332 120.400 -0.469 0.000 2.292 155 K HA 0.204 4.544 4.320 0.033 0.000 0.257 155 K C -1.392 174.967 176.600 -0.402 0.000 0.940 155 K CA -0.511 55.685 56.287 -0.150 0.000 0.811 155 K CB 1.239 33.678 32.500 -0.102 0.000 1.120 155 K HN 0.565 nan 8.250 nan 0.000 0.428 156 W N 2.302 123.568 121.300 -0.058 0.000 2.376 156 W HA 0.415 5.093 4.660 0.029 0.000 0.322 156 W C 0.778 177.384 176.519 0.146 0.000 1.160 156 W CA -0.409 56.980 57.345 0.075 0.000 1.218 156 W CB 0.802 30.362 29.460 0.167 0.000 1.205 156 W HN 0.197 nan 8.180 nan 0.000 0.559 157 R N 1.827 122.430 120.500 0.171 0.000 2.885 157 R HA 0.191 4.551 4.340 0.033 0.000 0.260 157 R C 1.325 177.475 176.300 -0.251 0.000 1.107 157 R CA -0.846 55.117 56.100 -0.228 0.000 0.978 157 R CB -0.082 29.702 30.300 -0.860 0.000 1.227 157 R HN 0.854 nan 8.270 nan 0.000 0.473 158 W N 1.807 122.995 121.300 -0.188 0.000 2.325 158 W HA -0.253 4.430 4.660 0.037 0.000 0.299 158 W C 1.121 177.675 176.519 0.060 0.000 1.215 158 W CA 1.563 58.942 57.345 0.057 0.000 1.244 158 W CB -0.866 28.465 29.460 -0.215 0.000 1.140 158 W HN 0.687 nan 8.180 nan 0.000 0.523 159 Y N 0.151 119.715 120.300 -1.226 0.000 2.632 159 Y HA 0.097 4.665 4.550 0.030 0.000 0.301 159 Y C 1.663 177.183 175.900 -0.633 0.000 1.172 159 Y CA 1.212 58.624 58.100 -1.146 0.000 1.328 159 Y CB -1.930 35.623 38.460 -1.511 0.000 1.016 159 Y HN 0.118 nan 8.280 nan 0.000 0.529 160 H N -1.136 117.606 119.070 -0.546 0.000 2.539 160 H HA 0.240 4.816 4.556 0.033 0.000 0.269 160 H C -0.679 174.344 175.328 -0.508 0.000 0.980 160 H CA -0.307 55.333 56.048 -0.680 0.000 1.152 160 H CB 0.129 29.415 29.762 -0.793 0.000 1.407 160 H HN 0.191 nan 8.280 nan 0.000 0.564 161 F N -0.564 119.565 119.950 0.298 0.000 2.556 161 F HA 0.214 4.762 4.527 0.036 0.000 0.327 161 F C 0.758 176.741 175.800 0.305 0.000 1.059 161 F CA -1.173 57.027 58.000 0.333 0.000 0.953 161 F CB 1.417 40.668 39.000 0.420 0.000 1.227 161 F HN -0.130 nan 8.300 nan 0.000 0.478 162 D N 0.047 120.671 120.400 0.373 0.000 2.301 162 D HA 0.310 4.970 4.640 0.033 0.000 0.206 162 D C 0.755 176.845 176.300 -0.349 0.000 0.979 162 D CA 0.844 54.913 54.000 0.116 0.000 0.874 162 D CB 0.803 41.761 40.800 0.263 0.000 0.968 162 D HN 0.671 nan 8.370 nan 0.000 0.510 163 G N -0.627 107.957 108.800 -0.360 0.000 2.349 163 G HA2 0.468 4.448 3.960 0.033 0.000 0.294 163 G HA3 0.468 4.448 3.960 0.033 0.000 0.294 163 G C -1.404 173.385 174.900 -0.185 0.000 1.380 163 G CA -0.122 44.547 45.100 -0.718 0.000 0.811 163 G HN 0.127 nan 8.290 nan 0.000 0.519 164 V N -3.338 116.510 119.914 -0.109 0.000 3.181 164 V HA 0.873 5.012 4.120 0.033 0.000 0.307 164 V C -0.801 175.313 176.094 0.033 0.000 1.310 164 V CA -0.092 62.317 62.300 0.182 0.000 1.067 164 V CB 2.196 34.212 31.823 0.321 0.000 1.081 164 V HN 0.961 nan 8.190 nan 0.000 0.453 165 D N -1.128 119.398 120.400 0.211 0.000 2.571 165 D HA 0.208 4.868 4.640 0.033 0.000 0.239 165 D C -0.308 176.236 176.300 0.407 0.000 1.267 165 D CA 0.043 54.133 54.000 0.149 0.000 0.823 165 D CB 0.537 41.407 40.800 0.116 0.000 1.056 165 D HN 0.789 nan 8.370 nan 0.000 0.494 166 W N 1.466 122.933 121.300 0.280 0.000 3.439 166 W HA 0.326 5.005 4.660 0.032 0.000 0.323 166 W C -2.118 174.561 176.519 0.265 0.000 1.174 166 W CA -0.674 56.836 57.345 0.274 0.000 1.224 166 W CB 1.978 31.562 29.460 0.207 0.000 1.348 166 W HN -0.218 nan 8.180 nan 0.000 0.498 167 D N 3.723 123.939 120.400 -0.305 0.000 2.373 167 D HA 0.100 4.759 4.640 0.033 0.000 0.227 167 D C 0.778 176.633 176.300 -0.742 0.000 1.091 167 D CA 0.112 53.845 54.000 -0.444 0.000 0.840 167 D CB 1.596 42.198 40.800 -0.329 0.000 1.060 167 D HN 0.453 nan 8.370 nan 0.000 0.502 168 E N 2.152 122.101 120.200 -0.418 0.000 2.268 168 E HA -0.153 4.217 4.350 0.033 0.000 0.195 168 E C 1.511 177.985 176.600 -0.210 0.000 0.995 168 E CA 1.447 57.749 56.400 -0.163 0.000 0.836 168 E CB 0.129 29.816 29.700 -0.023 0.000 0.763 168 E HN 0.449 nan 8.360 nan 0.000 0.491 169 S N -0.303 115.223 115.700 -0.289 0.000 2.357 169 S HA -0.067 4.423 4.470 0.033 0.000 0.221 169 S C 1.995 176.547 174.600 -0.081 0.000 1.031 169 S CA 0.765 58.884 58.200 -0.136 0.000 0.982 169 S CB -0.196 62.987 63.200 -0.028 0.000 0.853 169 S HN 0.191 nan 8.310 nan 0.000 0.458 170 R N 0.649 121.069 120.500 -0.133 0.000 2.312 170 R HA 0.256 4.615 4.340 0.033 0.000 0.205 170 R C -0.331 175.848 176.300 -0.201 0.000 0.904 170 R CA -0.029 56.008 56.100 -0.105 0.000 1.052 170 R CB 0.156 30.430 30.300 -0.043 0.000 1.014 170 R HN 0.149 nan 8.270 nan 0.000 0.503 171 K N 0.649 120.798 120.400 -0.418 0.000 3.162 171 K HA -0.181 4.159 4.320 0.033 0.000 0.268 171 K C -1.006 175.096 176.600 -0.829 0.000 1.062 171 K CA 0.795 56.662 56.287 -0.701 0.000 0.769 171 K CB -1.934 30.517 32.500 -0.082 0.000 1.274 171 K HN 0.257 nan 8.250 nan 0.000 0.478 172 L N 0.282 120.996 121.223 -0.848 0.000 2.346 172 L HA 0.327 4.687 4.340 0.033 0.000 0.274 172 L C 0.460 177.263 176.870 -0.111 0.000 1.007 172 L CA -0.766 53.884 54.840 -0.317 0.000 0.818 172 L CB 2.124 44.154 42.059 -0.049 0.000 1.284 172 L HN -0.051 nan 8.230 nan 0.000 0.424 173 S N 3.480 119.268 115.700 0.147 0.000 2.410 173 S HA 0.600 5.089 4.470 0.033 0.000 0.304 173 S C -0.491 174.117 174.600 0.013 0.000 1.095 173 S CA -0.720 57.624 58.200 0.241 0.000 1.089 173 S CB 0.210 63.571 63.200 0.269 0.000 0.968 173 S HN 0.404 nan 8.310 nan 0.000 0.480 174 R N 1.765 122.171 120.500 -0.156 0.000 2.710 174 R HA 0.410 4.770 4.340 0.033 0.000 0.270 174 R C -1.371 174.621 176.300 -0.514 0.000 1.021 174 R CA -0.828 55.008 56.100 -0.440 0.000 0.889 174 R CB 0.905 30.657 30.300 -0.914 0.000 1.243 174 R HN 0.402 nan 8.270 nan 0.000 0.464 175 I N 3.059 123.380 120.570 -0.414 0.000 2.281 175 I HA 0.216 4.405 4.170 0.033 0.000 0.293 175 I C -0.412 175.532 176.117 -0.289 0.000 1.085 175 I CA -0.518 60.564 61.300 -0.362 0.000 1.257 175 I CB -0.520 37.339 38.000 -0.235 0.000 1.430 175 I HN 0.348 nan 8.210 nan 0.000 0.489 176 Y N 5.300 125.536 120.300 -0.107 0.000 2.326 176 Y HA 0.324 4.893 4.550 0.032 0.000 0.337 176 Y C 0.741 176.586 175.900 -0.091 0.000 1.023 176 Y CA -0.485 57.582 58.100 -0.055 0.000 1.143 176 Y CB 1.085 39.526 38.460 -0.030 0.000 1.183 176 Y HN 0.409 nan 8.280 nan 0.000 0.485 177 K N 3.980 124.420 120.400 0.067 0.000 2.185 177 K HA 0.418 4.758 4.320 0.033 0.000 0.269 177 K C -1.218 175.377 176.600 -0.009 0.000 0.987 177 K CA -0.571 55.559 56.287 -0.262 0.000 0.865 177 K CB 0.552 32.780 32.500 -0.454 0.000 1.090 177 K HN 0.355 nan 8.250 nan 0.000 0.450 178 F N 2.922 122.820 119.950 -0.087 0.000 2.459 178 F HA 0.272 4.818 4.527 0.032 0.000 0.346 178 F C 1.214 177.016 175.800 0.003 0.000 1.128 178 F CA -0.563 57.444 58.000 0.012 0.000 1.268 178 F CB 0.484 39.617 39.000 0.222 0.000 1.161 178 F HN 0.363 nan 8.300 nan 0.000 0.583 179 R N 0.936 121.551 120.500 0.193 0.000 2.536 179 R HA 0.785 5.145 4.340 0.033 0.000 0.279 179 R C 0.082 176.504 176.300 0.203 0.000 1.001 179 R CA -0.646 55.522 56.100 0.114 0.000 1.027 179 R CB 1.416 31.730 30.300 0.023 0.000 1.096 179 R HN 0.860 nan 8.270 nan 0.000 0.502 180 G N 0.805 109.710 108.800 0.174 0.000 2.350 180 G HA2 0.064 4.043 3.960 0.033 0.000 0.305 180 G HA3 0.064 4.043 3.960 0.033 0.000 0.305 180 G C -0.896 174.087 174.900 0.137 0.000 1.479 180 G CA -1.102 44.131 45.100 0.222 0.000 0.949 180 G HN 0.426 nan 8.290 nan 0.000 0.651 181 I N 1.896 122.528 120.570 0.103 0.000 2.664 181 I HA 0.290 4.480 4.170 0.033 0.000 0.284 181 I C 1.637 177.782 176.117 0.048 0.000 1.154 181 I CA 1.913 63.245 61.300 0.053 0.000 1.402 181 I CB 0.416 38.429 38.000 0.022 0.000 1.395 181 I HN 1.785 nan 8.210 nan 0.000 0.545 182 G N 4.617 113.443 108.800 0.044 0.000 2.143 182 G HA2 -0.224 3.756 3.960 0.033 0.000 0.249 182 G HA3 -0.224 3.756 3.960 0.033 0.000 0.249 182 G C 0.229 175.169 174.900 0.067 0.000 0.981 182 G CA -0.429 44.696 45.100 0.042 0.000 0.665 182 G HN 0.487 nan 8.290 nan 0.000 0.528 183 K N 0.712 121.161 120.400 0.083 0.000 2.297 183 K HA 0.786 5.126 4.320 0.033 0.000 0.286 183 K C 0.365 176.968 176.600 0.006 0.000 1.053 183 K CA 0.699 57.038 56.287 0.088 0.000 0.940 183 K CB 1.348 33.943 32.500 0.159 0.000 1.019 183 K HN 1.321 nan 8.250 nan 0.000 0.475 184 A N 3.218 126.019 122.820 -0.032 0.000 2.549 184 A HA 0.354 4.693 4.320 0.033 0.000 0.291 184 A C -1.742 175.830 177.584 -0.020 0.000 1.034 184 A CA -1.023 50.954 52.037 -0.100 0.000 0.655 184 A CB 0.231 19.237 19.000 0.011 0.000 1.299 184 A HN 0.644 nan 8.150 nan 0.000 0.427 185 W N 1.477 122.860 121.300 0.138 0.000 2.170 185 W HA 0.315 4.992 4.660 0.029 0.000 0.342 185 W C 0.050 176.681 176.519 0.187 0.000 1.294 185 W CA 0.090 57.534 57.345 0.165 0.000 1.246 185 W CB 0.490 30.052 29.460 0.170 0.000 1.156 185 W HN 0.581 nan 8.180 nan 0.000 0.572 186 D N 1.088 121.773 120.400 0.475 0.000 2.357 186 D HA 0.091 4.751 4.640 0.033 0.000 0.242 186 D C -0.639 175.901 176.300 0.400 0.000 1.153 186 D CA 0.256 54.458 54.000 0.338 0.000 0.918 186 D CB 0.851 41.790 40.800 0.232 0.000 1.181 186 D HN 0.382 nan 8.370 nan 0.000 0.435 187 W N 1.362 122.710 121.300 0.079 0.000 3.439 187 W HA 0.179 4.861 4.660 0.037 0.000 0.323 187 W C -1.202 175.312 176.519 -0.009 0.000 1.174 187 W CA -0.541 56.809 57.345 0.008 0.000 1.224 187 W CB 1.494 30.977 29.460 0.038 0.000 1.348 187 W HN 0.355 nan 8.180 nan 0.000 0.498 188 E N 3.569 123.328 120.200 -0.735 0.000 2.214 188 E HA 0.565 4.935 4.350 0.033 0.000 0.274 188 E C -0.861 174.802 176.600 -1.563 0.000 0.977 188 E CA -0.382 54.895 56.400 -1.872 0.000 0.827 188 E CB 2.034 30.698 29.700 -1.726 0.000 1.130 188 E HN 0.327 nan 8.360 nan 0.000 0.394 189 V N 0.184 119.232 119.914 -1.443 0.000 3.165 189 V HA 0.432 4.571 4.120 0.033 0.000 0.309 189 V C -0.497 175.332 176.094 -0.441 0.000 1.267 189 V CA -1.180 60.642 62.300 -0.796 0.000 1.067 189 V CB 1.323 33.072 31.823 -0.123 0.000 1.082 189 V HN 0.786 nan 8.190 nan 0.000 0.451 190 D N 0.838 121.250 120.400 0.021 0.000 2.443 190 D HA 0.288 4.947 4.640 0.033 0.000 0.239 190 D C 1.384 177.836 176.300 0.252 0.000 1.136 190 D CA 0.877 55.001 54.000 0.208 0.000 0.879 190 D CB 1.517 42.387 40.800 0.118 0.000 1.195 190 D HN 1.018 nan 8.370 nan 0.000 0.443 191 T N 0.300 115.019 114.554 0.275 0.000 3.129 191 T HA -0.001 4.368 4.350 0.033 0.000 0.251 191 T C 0.762 175.564 174.700 0.170 0.000 1.117 191 T CA -0.302 61.960 62.100 0.270 0.000 1.034 191 T CB -0.153 68.882 68.868 0.279 0.000 0.968 191 T HN 0.477 nan 8.240 nan 0.000 0.526 192 E N 1.845 122.150 120.200 0.175 0.000 2.414 192 E HA 0.028 4.397 4.350 0.033 0.000 0.263 192 E C -0.124 176.385 176.600 -0.152 0.000 1.000 192 E CA -0.161 56.272 56.400 0.054 0.000 0.914 192 E CB 0.085 29.867 29.700 0.138 0.000 0.948 192 E HN 0.265 nan 8.360 nan 0.000 0.444 193 N N 2.838 121.433 118.700 -0.176 0.000 2.776 193 N HA -0.229 4.530 4.740 0.033 0.000 0.250 193 N C 0.626 176.063 175.510 -0.122 0.000 1.112 193 N CA 1.029 53.943 53.050 -0.228 0.000 0.733 193 N CB -1.616 36.579 38.487 -0.488 0.000 1.097 193 N HN 0.884 nan 8.380 nan 0.000 0.558 194 G N 0.407 109.187 108.800 -0.035 0.000 3.444 194 G HA2 -0.380 3.599 3.960 0.033 0.000 0.222 194 G HA3 -0.380 3.599 3.960 0.033 0.000 0.222 194 G C -0.117 174.824 174.900 0.068 0.000 1.358 194 G CA 0.720 45.827 45.100 0.011 0.000 0.880 194 G HN 0.756 nan 8.290 nan 0.000 0.555 195 N N -0.875 117.849 118.700 0.039 0.000 2.549 195 N HA 0.332 5.091 4.740 0.033 0.000 0.290 195 N C -1.172 174.361 175.510 0.038 0.000 1.122 195 N CA -0.492 52.632 53.050 0.124 0.000 0.885 195 N CB 0.979 39.538 38.487 0.120 0.000 1.455 195 N HN 0.121 nan 8.380 nan 0.000 0.521 196 Y N 2.566 122.887 120.300 0.034 0.000 2.718 196 Y HA 0.155 4.725 4.550 0.033 0.000 0.322 196 Y C 1.372 177.318 175.900 0.077 0.000 1.122 196 Y CA -0.634 57.492 58.100 0.043 0.000 1.348 196 Y CB -0.274 38.251 38.460 0.109 0.000 1.174 196 Y HN 0.628 nan 8.280 nan 0.000 0.523 197 D N -0.261 120.217 120.400 0.130 0.000 2.084 197 D HA -0.218 4.442 4.640 0.033 0.000 0.196 197 D C 0.195 176.494 176.300 -0.002 0.000 0.985 197 D CA 0.990 55.048 54.000 0.096 0.000 0.826 197 D CB -0.259 40.635 40.800 0.156 0.000 0.978 197 D HN 0.248 nan 8.370 nan 0.000 0.456 198 Y N 0.303 120.408 120.300 -0.325 0.000 2.442 198 Y HA 0.281 4.851 4.550 0.033 0.000 0.330 198 Y C 0.646 176.466 175.900 -0.134 0.000 1.129 198 Y CA -0.149 57.791 58.100 -0.268 0.000 1.365 198 Y CB 0.892 39.029 38.460 -0.537 0.000 1.233 198 Y HN 0.018 nan 8.280 nan 0.000 0.529 199 L N 5.824 126.424 121.223 -1.038 0.000 2.775 199 L HA 0.471 4.831 4.340 0.033 0.000 0.175 199 L C -0.576 175.824 176.870 -0.784 0.000 1.110 199 L CA 0.771 55.156 54.840 -0.760 0.000 0.862 199 L CB 0.312 41.885 42.059 -0.811 0.000 1.381 199 L HN 0.732 nan 8.230 nan 0.000 0.499 200 M N -4.120 114.932 119.600 -0.913 0.000 2.833 200 M HA 0.402 4.902 4.480 0.033 0.000 0.270 200 M C -0.559 175.525 176.300 -0.360 0.000 1.209 200 M CA -0.772 54.171 55.300 -0.595 0.000 0.826 200 M CB 1.525 33.746 32.600 -0.632 0.000 1.657 200 M HN 0.140 nan 8.290 nan 0.000 0.492 201 Y N -0.504 119.738 120.300 -0.098 0.000 2.892 201 Y HA -0.201 4.368 4.550 0.032 0.000 0.465 201 Y C 0.571 176.545 175.900 0.124 0.000 1.195 201 Y CA 1.226 59.331 58.100 0.009 0.000 2.512 201 Y CB -1.808 36.625 38.460 -0.045 0.000 1.230 201 Y HN 1.136 nan 8.280 nan 0.000 0.633 202 A N 1.276 124.241 122.820 0.241 0.000 2.269 202 A HA 0.471 4.811 4.320 0.033 0.000 0.302 202 A C -0.735 176.919 177.584 0.116 0.000 1.266 202 A CA 0.147 52.169 52.037 -0.026 0.000 0.894 202 A CB 0.223 18.789 19.000 -0.724 0.000 1.147 202 A HN 0.441 nan 8.150 nan 0.000 0.537 203 D N 2.466 123.055 120.400 0.316 0.000 2.343 203 D HA 0.342 5.002 4.640 0.033 0.000 0.255 203 D C -0.233 176.377 176.300 0.518 0.000 1.187 203 D CA -0.067 54.149 54.000 0.361 0.000 0.875 203 D CB 0.337 41.413 40.800 0.461 0.000 1.136 203 D HN 0.310 nan 8.370 nan 0.000 0.469 204 L N 3.760 125.209 121.223 0.378 0.000 2.453 204 L HA 0.129 4.489 4.340 0.033 0.000 0.272 204 L C 0.325 177.305 176.870 0.183 0.000 1.182 204 L CA 0.354 55.361 54.840 0.278 0.000 0.858 204 L CB 0.750 42.832 42.059 0.038 0.000 1.120 204 L HN 0.433 nan 8.230 nan 0.000 0.474 205 D N 3.656 124.147 120.400 0.151 0.000 2.441 205 D HA 0.091 4.750 4.640 0.033 0.000 0.221 205 D C 0.787 177.119 176.300 0.053 0.000 1.156 205 D CA -0.271 53.817 54.000 0.146 0.000 0.896 205 D CB 0.649 41.564 40.800 0.192 0.000 1.028 205 D HN 0.296 nan 8.370 nan 0.000 0.509 206 M N 1.651 121.241 119.600 -0.017 0.000 2.700 206 M HA -0.028 4.471 4.480 0.033 0.000 0.249 206 M C 0.510 176.820 176.300 0.017 0.000 1.082 206 M CA 0.568 55.791 55.300 -0.128 0.000 1.077 206 M CB -0.204 32.244 32.600 -0.254 0.000 1.477 206 M HN 0.281 nan 8.290 nan 0.000 0.529 207 D N -1.289 119.162 120.400 0.085 0.000 2.360 207 D HA 0.000 4.660 4.640 0.033 0.000 0.210 207 D C 0.538 176.892 176.300 0.090 0.000 1.047 207 D CA 0.315 54.373 54.000 0.096 0.000 0.854 207 D CB 0.071 40.935 40.800 0.107 0.000 0.936 207 D HN 0.274 nan 8.370 nan 0.000 0.514 208 H N 1.157 120.239 119.070 0.020 0.000 2.800 208 H HA 0.084 4.658 4.556 0.030 0.000 0.291 208 H C -1.625 173.698 175.328 -0.008 0.000 1.076 208 H CA -1.502 54.557 56.048 0.018 0.000 1.452 208 H CB 1.848 31.639 29.762 0.047 0.000 1.461 208 H HN -0.162 nan 8.280 nan 0.000 0.488 209 P HA -0.180 nan 4.420 nan 0.000 0.216 209 P C 0.987 178.315 177.300 0.048 0.000 1.157 209 P CA 1.533 64.621 63.100 -0.020 0.000 0.880 209 P CB 0.353 31.996 31.700 -0.094 0.000 0.791 210 E N -0.861 119.458 120.200 0.199 0.000 2.153 210 E HA -0.103 4.267 4.350 0.033 0.000 0.194 210 E C 1.931 178.443 176.600 -0.147 0.000 0.988 210 E CA 0.796 57.278 56.400 0.137 0.000 0.811 210 E CB -0.487 29.432 29.700 0.366 0.000 0.746 210 E HN 0.070 nan 8.360 nan 0.000 0.466 211 V N 0.668 120.526 119.914 -0.095 0.000 2.323 211 V HA -0.216 3.923 4.120 0.033 0.000 0.244 211 V C 2.301 178.222 176.094 -0.288 0.000 1.041 211 V CA 1.243 63.320 62.300 -0.372 0.000 1.025 211 V CB -0.285 31.406 31.823 -0.220 0.000 0.656 211 V HN 0.134 nan 8.190 nan 0.000 0.451 212 V N -0.013 119.838 119.914 -0.105 0.000 2.332 212 V HA -0.300 3.839 4.120 0.033 0.000 0.248 212 V C 2.568 178.632 176.094 -0.049 0.000 1.055 212 V CA 2.707 65.019 62.300 0.020 0.000 1.038 212 V CB -1.145 30.737 31.823 0.098 0.000 0.651 212 V HN 0.607 nan 8.190 nan 0.000 0.450 213 T N -0.553 113.926 114.554 -0.124 0.000 2.746 213 T HA -0.203 4.166 4.350 0.033 0.000 0.267 213 T C 1.941 176.523 174.700 -0.197 0.000 1.039 213 T CA 1.739 63.743 62.100 -0.160 0.000 1.142 213 T CB -0.213 68.576 68.868 -0.132 0.000 0.866 213 T HN 0.533 nan 8.240 nan 0.000 0.444 214 E N 1.283 121.256 120.200 -0.377 0.000 2.077 214 E HA -0.038 4.332 4.350 0.033 0.000 0.193 214 E C 2.010 178.509 176.600 -0.169 0.000 0.989 214 E CA 1.099 57.202 56.400 -0.495 0.000 0.800 214 E CB -0.598 28.311 29.700 -1.319 0.000 0.746 214 E HN 0.458 nan 8.360 nan 0.000 0.452 215 L N 0.051 121.174 121.223 -0.166 0.000 2.141 215 L HA -0.110 4.250 4.340 0.033 0.000 0.209 215 L C 2.478 179.641 176.870 0.488 0.000 1.094 215 L CA 1.239 56.068 54.840 -0.019 0.000 0.763 215 L CB -0.342 41.419 42.059 -0.497 0.000 0.908 215 L HN 0.094 nan 8.230 nan 0.000 0.437 216 K N -0.340 120.250 120.400 0.316 0.000 2.057 216 K HA -0.095 4.245 4.320 0.033 0.000 0.206 216 K C 2.320 179.092 176.600 0.287 0.000 1.050 216 K CA 1.449 57.869 56.287 0.221 0.000 0.935 216 K CB -0.065 32.194 32.500 -0.400 0.000 0.715 216 K HN 0.144 nan 8.250 nan 0.000 0.439 217 S N 0.482 116.311 115.700 0.216 0.000 2.368 217 S HA -0.176 4.314 4.470 0.033 0.000 0.225 217 S C 1.437 176.292 174.600 0.424 0.000 1.030 217 S CA 1.163 59.534 58.200 0.285 0.000 0.999 217 S CB -0.314 62.996 63.200 0.184 0.000 0.844 217 S HN 0.471 nan 8.310 nan 0.000 0.459 218 W N 2.643 124.108 121.300 0.275 0.000 2.355 218 W HA -0.069 4.604 4.660 0.022 0.000 0.309 218 W C 2.253 179.051 176.519 0.465 0.000 1.206 218 W CA 1.358 58.853 57.345 0.250 0.000 1.284 218 W CB -1.063 28.357 29.460 -0.068 0.000 1.145 218 W HN 0.255 nan 8.180 nan 0.000 0.502 219 G N 0.764 109.882 108.800 0.531 0.000 2.491 219 G HA2 -0.415 3.565 3.960 0.033 0.000 0.218 219 G HA3 -0.415 3.565 3.960 0.033 0.000 0.218 219 G C 1.590 176.554 174.900 0.106 0.000 1.180 219 G CA 1.472 46.766 45.100 0.322 0.000 0.774 219 G HN 0.360 nan 8.290 nan 0.000 0.562 220 K N -0.657 119.849 120.400 0.176 0.000 2.026 220 K HA -0.176 4.164 4.320 0.033 0.000 0.208 220 K C 2.217 178.876 176.600 0.098 0.000 1.048 220 K CA 1.488 57.840 56.287 0.108 0.000 0.929 220 K CB -0.387 32.210 32.500 0.162 0.000 0.713 220 K HN 0.451 nan 8.250 nan 0.000 0.439 221 W N 0.698 121.997 121.300 -0.001 0.000 2.338 221 W HA -0.286 4.390 4.660 0.026 0.000 0.304 221 W C 1.912 178.378 176.519 -0.089 0.000 1.212 221 W CA 1.774 59.115 57.345 -0.007 0.000 1.264 221 W CB -0.596 28.928 29.460 0.106 0.000 1.142 221 W HN 0.193 nan 8.180 nan 0.000 0.512 222 Y N 0.684 120.702 120.300 -0.470 0.000 2.145 222 Y HA -0.252 4.315 4.550 0.030 0.000 0.286 222 Y C 2.423 178.033 175.900 -0.483 0.000 1.145 222 Y CA 2.594 60.251 58.100 -0.739 0.000 1.148 222 Y CB -1.010 36.914 38.460 -0.893 0.000 0.981 222 Y HN -0.139 nan 8.280 nan 0.000 0.507 223 V N 0.744 120.510 119.914 -0.246 0.000 2.358 223 V HA -0.300 3.840 4.120 0.033 0.000 0.246 223 V C 2.011 177.931 176.094 -0.291 0.000 1.047 223 V CA 2.078 64.227 62.300 -0.252 0.000 1.035 223 V CB -0.692 31.071 31.823 -0.100 0.000 0.658 223 V HN 0.431 nan 8.190 nan 0.000 0.452 224 N N -0.122 118.419 118.700 -0.265 0.000 2.309 224 N HA -0.097 4.663 4.740 0.033 0.000 0.182 224 N C 1.833 177.155 175.510 -0.314 0.000 1.018 224 N CA 1.627 54.536 53.050 -0.234 0.000 0.876 224 N CB -0.239 38.160 38.487 -0.147 0.000 0.972 224 N HN 0.473 nan 8.380 nan 0.000 0.434 225 T N -0.415 113.834 114.554 -0.510 0.000 2.866 225 T HA -0.045 4.325 4.350 0.033 0.000 0.250 225 T C 2.104 176.533 174.700 -0.452 0.000 1.033 225 T CA 1.708 63.482 62.100 -0.543 0.000 1.145 225 T CB -0.292 68.015 68.868 -0.934 0.000 0.866 225 T HN 0.468 nan 8.240 nan 0.000 0.434 226 T N -0.620 113.605 114.554 -0.549 0.000 3.009 226 T HA 0.077 4.446 4.350 0.033 0.000 0.258 226 T C 1.091 175.545 174.700 -0.410 0.000 1.063 226 T CA 0.834 62.617 62.100 -0.528 0.000 1.139 226 T CB -0.320 68.115 68.868 -0.721 0.000 0.890 226 T HN 0.278 nan 8.240 nan 0.000 0.471 227 N N 1.162 119.658 118.700 -0.340 0.000 2.815 227 N HA -0.138 4.622 4.740 0.033 0.000 0.248 227 N C -0.088 175.336 175.510 -0.144 0.000 1.110 227 N CA 0.674 53.604 53.050 -0.199 0.000 0.699 227 N CB -2.351 36.070 38.487 -0.111 0.000 1.040 227 N HN 0.915 nan 8.380 nan 0.000 0.555 228 I N -3.228 117.185 120.570 -0.262 0.000 3.060 228 I HA 0.212 4.402 4.170 0.033 0.000 0.285 228 I C 0.906 176.948 176.117 -0.124 0.000 1.190 228 I CA 0.067 61.248 61.300 -0.199 0.000 1.363 228 I CB 0.518 38.374 38.000 -0.240 0.000 1.396 228 I HN -0.037 nan 8.210 nan 0.000 0.607 229 D N 2.049 122.436 120.400 -0.022 0.000 2.407 229 D HA 0.297 4.956 4.640 0.033 0.000 0.208 229 D C 0.599 176.932 176.300 0.055 0.000 1.083 229 D CA 0.323 54.341 54.000 0.030 0.000 0.844 229 D CB 1.296 42.168 40.800 0.120 0.000 0.967 229 D HN 0.869 nan 8.370 nan 0.000 0.506 230 G N 0.118 108.892 108.800 -0.044 0.000 2.430 230 G HA2 0.442 4.422 3.960 0.033 0.000 0.300 230 G HA3 0.442 4.422 3.960 0.033 0.000 0.300 230 G C -1.985 172.661 174.900 -0.425 0.000 1.330 230 G CA -0.825 44.114 45.100 -0.267 0.000 0.813 230 G HN -0.048 nan 8.290 nan 0.000 0.487 231 F N -0.314 119.633 119.950 -0.005 0.000 2.588 231 F HA 0.796 5.343 4.527 0.033 0.000 0.314 231 F C 0.206 175.925 175.800 -0.134 0.000 1.069 231 F CA -1.059 56.977 58.000 0.059 0.000 0.931 231 F CB 2.431 41.518 39.000 0.144 0.000 1.260 231 F HN 0.369 nan 8.300 nan 0.000 0.465 232 R N 3.059 123.634 120.500 0.125 0.000 2.409 232 R HA 0.526 4.886 4.340 0.033 0.000 0.313 232 R C -1.920 174.335 176.300 -0.075 0.000 0.953 232 R CA -0.417 55.582 56.100 -0.169 0.000 0.849 232 R CB 0.804 30.777 30.300 -0.544 0.000 1.171 232 R HN 0.815 nan 8.270 nan 0.000 0.458 233 L N 3.739 124.858 121.223 -0.172 0.000 2.265 233 L HA 0.287 4.647 4.340 0.033 0.000 0.288 233 L C 0.326 177.137 176.870 -0.098 0.000 1.058 233 L CA -0.740 53.962 54.840 -0.230 0.000 0.809 233 L CB 1.175 42.903 42.059 -0.553 0.000 1.179 233 L HN 0.522 nan 8.230 nan 0.000 0.429 234 D N 3.021 123.416 120.400 -0.008 0.000 2.302 234 D HA 0.386 5.046 4.640 0.033 0.000 0.248 234 D C 0.679 177.004 176.300 0.042 0.000 1.094 234 D CA 0.308 54.353 54.000 0.075 0.000 0.897 234 D CB 1.255 42.177 40.800 0.203 0.000 1.200 234 D HN 0.736 nan 8.370 nan 0.000 0.429 235 A N 2.592 125.426 122.820 0.023 0.000 2.550 235 A HA -0.190 4.150 4.320 0.033 0.000 0.298 235 A C 1.618 179.189 177.584 -0.022 0.000 1.485 235 A CA 1.022 53.075 52.037 0.026 0.000 0.780 235 A CB -2.217 16.870 19.000 0.145 0.000 1.045 235 A HN 1.087 nan 8.150 nan 0.000 0.423 236 V N -1.151 118.693 119.914 -0.116 0.000 2.720 236 V HA -0.265 3.875 4.120 0.033 0.000 0.256 236 V C 2.105 178.036 176.094 -0.271 0.000 1.082 236 V CA 2.471 64.715 62.300 -0.092 0.000 1.101 236 V CB -0.782 30.921 31.823 -0.199 0.000 0.693 236 V HN 0.972 nan 8.190 nan 0.000 0.479 237 K N -0.624 119.351 120.400 -0.708 0.000 2.439 237 K HA -0.096 4.244 4.320 0.033 0.000 0.197 237 K C 1.508 177.822 176.600 -0.477 0.000 1.041 237 K CA 1.453 57.200 56.287 -0.900 0.000 0.970 237 K CB -0.441 31.065 32.500 -1.657 0.000 0.773 237 K HN 0.646 nan 8.250 nan 0.000 0.479 238 H N 0.284 119.260 119.070 -0.156 0.000 2.549 238 H HA 0.329 4.904 4.556 0.032 0.000 0.279 238 H C -0.088 175.253 175.328 0.023 0.000 1.018 238 H CA -0.103 55.883 56.048 -0.102 0.000 1.175 238 H CB 0.306 29.949 29.762 -0.199 0.000 1.485 238 H HN 0.130 nan 8.280 nan 0.000 0.543 239 I N 1.465 122.153 120.570 0.196 0.000 2.465 239 I HA 0.110 4.300 4.170 0.033 0.000 0.291 239 I C 0.464 176.759 176.117 0.296 0.000 1.014 239 I CA -0.992 60.429 61.300 0.201 0.000 1.093 239 I CB 2.618 40.763 38.000 0.240 0.000 1.267 239 I HN -0.163 nan 8.210 nan 0.000 0.431 240 K N 5.311 125.808 120.400 0.162 0.000 2.404 240 K HA -0.087 4.253 4.320 0.033 0.000 0.271 240 K C 0.542 177.373 176.600 0.384 0.000 1.130 240 K CA 0.184 56.565 56.287 0.156 0.000 1.181 240 K CB 0.261 32.828 32.500 0.112 0.000 0.840 240 K HN 0.410 nan 8.250 nan 0.000 0.483 241 F N 1.949 121.989 119.950 0.151 0.000 2.087 241 F HA -0.277 4.264 4.527 0.024 0.000 0.299 241 F C 2.519 178.403 175.800 0.141 0.000 1.100 241 F CA 1.902 60.028 58.000 0.209 0.000 1.226 241 F CB -1.458 37.597 39.000 0.092 0.000 0.983 241 F HN 0.695 nan 8.300 nan 0.000 0.479 242 S N -0.449 115.423 115.700 0.286 0.000 2.555 242 S HA -0.167 4.323 4.470 0.033 0.000 0.230 242 S C 1.832 176.538 174.600 0.177 0.000 0.978 242 S CA 0.335 58.644 58.200 0.181 0.000 0.934 242 S CB -1.415 61.862 63.200 0.128 0.000 0.766 242 S HN 0.327 nan 8.310 nan 0.000 0.533 243 F N 1.935 121.924 119.950 0.066 0.000 2.146 243 F HA 0.082 4.663 4.527 0.090 0.000 0.298 243 F C 1.578 177.381 175.800 0.005 0.000 1.096 243 F CA 0.927 58.902 58.000 -0.042 0.000 1.275 243 F CB -0.437 38.429 39.000 -0.223 0.000 1.008 243 F HN 0.160 nan 8.300 nan 0.000 0.480 244 F N 0.843 120.850 119.950 0.094 0.000 2.134 244 F HA -0.023 4.521 4.527 0.029 0.000 0.299 244 F C -0.473 175.344 175.800 0.029 0.000 1.097 244 F CA 1.164 59.191 58.000 0.045 0.000 1.264 244 F CB -2.351 36.776 39.000 0.212 0.000 1.001 244 F HN 0.020 nan 8.300 nan 0.000 0.479 245 P HA -0.147 nan 4.420 nan 0.000 0.218 245 P C 1.217 178.553 177.300 0.060 0.000 1.149 245 P CA 1.704 64.862 63.100 0.097 0.000 0.817 245 P CB 0.030 31.759 31.700 0.048 0.000 0.785 246 D N -1.671 118.734 120.400 0.008 0.000 2.077 246 D HA -0.183 4.476 4.640 0.033 0.000 0.196 246 D C 1.843 178.133 176.300 -0.016 0.000 0.986 246 D CA 1.086 55.072 54.000 -0.023 0.000 0.829 246 D CB -0.922 39.837 40.800 -0.068 0.000 0.983 246 D HN 0.036 nan 8.370 nan 0.000 0.453 247 W N 1.035 122.119 121.300 -0.359 0.000 2.335 247 W HA -0.124 4.543 4.660 0.011 0.000 0.311 247 W C 2.228 178.765 176.519 0.031 0.000 1.213 247 W CA 1.555 58.735 57.345 -0.274 0.000 1.274 247 W CB -0.550 28.541 29.460 -0.616 0.000 1.148 247 W HN 0.028 nan 8.180 nan 0.000 0.498 248 L N 0.586 121.912 121.223 0.172 0.000 2.012 248 L HA -0.293 4.066 4.340 0.033 0.000 0.210 248 L C 2.903 179.747 176.870 -0.042 0.000 1.073 248 L CA 2.024 56.891 54.840 0.044 0.000 0.748 248 L CB -1.293 40.881 42.059 0.192 0.000 0.891 248 L HN 0.113 nan 8.230 nan 0.000 0.431 249 S N -1.116 114.587 115.700 0.005 0.000 2.382 249 S HA -0.287 4.203 4.470 0.033 0.000 0.228 249 S C 1.946 176.528 174.600 -0.030 0.000 1.027 249 S CA 1.215 59.410 58.200 -0.008 0.000 0.991 249 S CB -0.878 62.330 63.200 0.014 0.000 0.823 249 S HN 0.469 nan 8.310 nan 0.000 0.469 250 Y N 2.748 122.962 120.300 -0.144 0.000 2.089 250 Y HA -0.101 4.440 4.550 -0.015 0.000 0.282 250 Y C 2.401 178.186 175.900 -0.192 0.000 1.139 250 Y CA 1.700 59.708 58.100 -0.153 0.000 1.123 250 Y CB -0.722 37.639 38.460 -0.164 0.000 0.980 250 Y HN 0.112 nan 8.280 nan 0.000 0.493 251 V N 1.117 120.871 119.914 -0.266 0.000 2.332 251 V HA -0.342 3.798 4.120 0.033 0.000 0.248 251 V C 2.413 178.363 176.094 -0.241 0.000 1.055 251 V CA 2.385 64.489 62.300 -0.328 0.000 1.038 251 V CB -0.726 30.810 31.823 -0.478 0.000 0.651 251 V HN 0.360 nan 8.190 nan 0.000 0.450 252 R N 0.822 121.219 120.500 -0.172 0.000 2.073 252 R HA -0.149 4.211 4.340 0.033 0.000 0.234 252 R C 2.681 178.895 176.300 -0.143 0.000 1.134 252 R CA 1.834 57.864 56.100 -0.117 0.000 0.952 252 R CB -0.598 29.661 30.300 -0.068 0.000 0.850 252 R HN 0.717 nan 8.270 nan 0.000 0.433 253 S N 0.642 116.239 115.700 -0.172 0.000 2.368 253 S HA -0.135 4.355 4.470 0.033 0.000 0.224 253 S C 1.926 176.398 174.600 -0.213 0.000 1.029 253 S CA 0.661 58.761 58.200 -0.167 0.000 0.988 253 S CB -0.126 62.986 63.200 -0.147 0.000 0.838 253 S HN 0.195 nan 8.310 nan 0.000 0.462 254 Q N 1.312 120.907 119.800 -0.343 0.000 2.167 254 Q HA -0.055 4.305 4.340 0.033 0.000 0.202 254 Q C 2.527 178.402 176.000 -0.209 0.000 0.970 254 Q CA 2.019 57.619 55.803 -0.339 0.000 0.855 254 Q CB -0.971 27.424 28.738 -0.572 0.000 0.911 254 Q HN 0.942 nan 8.270 nan 0.000 0.438 255 T N -4.324 110.118 114.554 -0.187 0.000 3.037 255 T HA 0.279 4.649 4.350 0.033 0.000 0.252 255 T C 1.418 176.050 174.700 -0.113 0.000 1.073 255 T CA 0.845 62.864 62.100 -0.134 0.000 1.091 255 T CB 0.350 69.144 68.868 -0.124 0.000 0.935 255 T HN 0.371 nan 8.240 nan 0.000 0.488 256 G N 1.626 110.359 108.800 -0.112 0.000 2.143 256 G HA2 -0.229 3.751 3.960 0.033 0.000 0.249 256 G HA3 -0.229 3.751 3.960 0.033 0.000 0.249 256 G C -0.108 174.743 174.900 -0.082 0.000 0.981 256 G CA 0.217 45.263 45.100 -0.090 0.000 0.665 256 G HN 0.681 nan 8.290 nan 0.000 0.528 257 K N 0.346 120.693 120.400 -0.087 0.000 2.138 257 K HA 0.429 4.769 4.320 0.033 0.000 0.263 257 K C -1.238 175.325 176.600 -0.062 0.000 0.965 257 K CA -1.632 54.607 56.287 -0.080 0.000 0.868 257 K CB 2.379 34.820 32.500 -0.098 0.000 1.083 257 K HN -0.044 nan 8.250 nan 0.000 0.443 258 P HA -0.125 nan 4.420 nan 0.000 0.218 258 P C -0.040 177.254 177.300 -0.009 0.000 1.149 258 P CA 0.795 63.885 63.100 -0.017 0.000 0.817 258 P CB 0.179 31.880 31.700 0.001 0.000 0.785 259 L N -1.497 119.710 121.223 -0.026 0.000 3.790 259 L HA -0.188 4.171 4.340 0.033 0.000 0.602 259 L C 0.410 177.262 176.870 -0.030 0.000 1.172 259 L CA -0.438 54.360 54.840 -0.070 0.000 0.901 259 L CB -2.192 39.810 42.059 -0.095 0.000 1.342 259 L HN 0.027 nan 8.230 nan 0.000 0.820 260 F N 2.196 122.068 119.950 -0.130 0.000 2.607 260 F HA 0.240 4.791 4.527 0.039 0.000 0.374 260 F C 0.954 176.600 175.800 -0.258 0.000 1.104 260 F CA 0.805 58.703 58.000 -0.172 0.000 1.296 260 F CB 0.654 39.545 39.000 -0.182 0.000 1.085 260 F HN 0.161 nan 8.300 nan 0.000 0.584 261 T N 6.434 120.311 114.554 -1.129 0.000 2.886 261 T HA 0.508 4.878 4.350 0.033 0.000 0.292 261 T C -1.259 172.817 174.700 -1.041 0.000 1.012 261 T CA -0.630 60.985 62.100 -0.808 0.000 0.982 261 T CB 1.626 70.347 68.868 -0.246 0.000 1.018 261 T HN 0.603 nan 8.240 nan 0.000 0.451 262 V N 2.517 121.971 119.914 -0.767 0.000 2.588 262 V HA 0.902 5.042 4.120 0.033 0.000 0.304 262 V C -0.014 175.777 176.094 -0.505 0.000 1.042 262 V CA -0.167 61.733 62.300 -0.666 0.000 0.877 262 V CB 1.476 32.852 31.823 -0.744 0.000 0.996 262 V HN 1.017 nan 8.190 nan 0.000 0.425 263 G N 3.775 112.348 108.800 -0.379 0.000 2.417 263 G HA2 0.524 4.504 3.960 0.033 0.000 0.334 263 G HA3 0.524 4.504 3.960 0.033 0.000 0.334 263 G C -0.864 174.001 174.900 -0.059 0.000 1.150 263 G CA -0.459 44.501 45.100 -0.234 0.000 0.923 263 G HN 0.782 nan 8.290 nan 0.000 0.485 264 E N 0.791 121.028 120.200 0.062 0.000 2.035 264 E HA 0.178 4.548 4.350 0.033 0.000 0.271 264 E C -1.536 175.097 176.600 0.056 0.000 0.953 264 E CA -0.658 55.880 56.400 0.230 0.000 0.777 264 E CB 0.828 30.644 29.700 0.193 0.000 1.104 264 E HN 0.382 nan 8.360 nan 0.000 0.408 265 Y N 6.055 126.309 120.300 -0.077 0.000 2.587 265 Y HA 0.161 4.728 4.550 0.029 0.000 0.328 265 Y C -0.949 174.892 175.900 -0.098 0.000 0.980 265 Y CA -1.181 56.782 58.100 -0.229 0.000 1.272 265 Y CB 0.413 38.606 38.460 -0.444 0.000 1.094 265 Y HN 0.547 nan 8.280 nan 0.000 0.503 266 W N 6.963 128.198 121.300 -0.108 0.000 2.546 266 W HA 0.405 5.084 4.660 0.030 0.000 0.323 266 W C -0.716 175.761 176.519 -0.069 0.000 1.272 266 W CA 0.364 57.652 57.345 -0.094 0.000 1.404 266 W CB 0.856 30.200 29.460 -0.193 0.000 1.411 266 W HN 0.538 nan 8.180 nan 0.000 0.480 267 S N 4.892 120.323 115.700 -0.448 0.000 2.542 267 S HA 0.265 4.755 4.470 0.033 0.000 0.276 267 S C -0.526 173.864 174.600 -0.350 0.000 1.148 267 S CA -0.529 57.481 58.200 -0.316 0.000 0.886 267 S CB 0.660 63.868 63.200 0.014 0.000 1.109 267 S HN 0.294 nan 8.310 nan 0.000 0.458 268 Y N 1.290 121.465 120.300 -0.209 0.000 2.457 268 Y HA 0.338 4.908 4.550 0.033 0.000 0.263 268 Y C 0.802 176.620 175.900 -0.137 0.000 1.164 268 Y CA -0.585 57.400 58.100 -0.192 0.000 1.274 268 Y CB 0.013 38.400 38.460 -0.122 0.000 1.097 268 Y HN 0.583 nan 8.280 nan 0.000 0.523 269 D N 0.435 120.841 120.400 0.009 0.000 2.396 269 D HA 0.075 4.735 4.640 0.033 0.000 0.225 269 D C 1.120 177.349 176.300 -0.118 0.000 1.121 269 D CA -0.080 53.905 54.000 -0.024 0.000 0.853 269 D CB 0.643 41.445 40.800 0.003 0.000 1.043 269 D HN 0.095 nan 8.370 nan 0.000 0.500 270 I N 4.184 124.665 120.570 -0.149 0.000 2.567 270 I HA -0.204 3.986 4.170 0.033 0.000 0.257 270 I C 1.383 177.232 176.117 -0.447 0.000 1.184 270 I CA 1.072 62.179 61.300 -0.321 0.000 1.451 270 I CB -0.176 37.665 38.000 -0.265 0.000 1.089 270 I HN 0.368 nan 8.210 nan 0.000 0.441 271 N N 0.740 119.344 118.700 -0.160 0.000 2.171 271 N HA -0.142 4.618 4.740 0.033 0.000 0.184 271 N C 1.769 177.242 175.510 -0.061 0.000 1.021 271 N CA 1.152 54.191 53.050 -0.018 0.000 0.854 271 N CB -0.249 38.272 38.487 0.056 0.000 0.994 271 N HN 0.436 nan 8.380 nan 0.000 0.426 272 K N 0.817 121.148 120.400 -0.116 0.000 2.097 272 K HA 0.021 4.361 4.320 0.033 0.000 0.206 272 K C 2.069 178.416 176.600 -0.423 0.000 1.049 272 K CA 0.623 56.808 56.287 -0.170 0.000 0.933 272 K CB -0.082 32.347 32.500 -0.119 0.000 0.717 272 K HN 0.147 nan 8.250 nan 0.000 0.442 273 L N 0.169 121.113 121.223 -0.465 0.000 2.093 273 L HA -0.170 4.189 4.340 0.033 0.000 0.208 273 L C 2.405 179.132 176.870 -0.239 0.000 1.085 273 L CA 0.995 55.548 54.840 -0.478 0.000 0.755 273 L CB -0.667 41.151 42.059 -0.402 0.000 0.904 273 L HN 0.273 nan 8.230 nan 0.000 0.435 274 H N -0.331 118.664 119.070 -0.125 0.000 2.321 274 H HA -0.172 4.402 4.556 0.031 0.000 0.300 274 H C 2.098 177.389 175.328 -0.062 0.000 1.087 274 H CA 1.795 57.800 56.048 -0.072 0.000 1.319 274 H CB -0.501 29.234 29.762 -0.044 0.000 1.379 274 H HN 0.321 nan 8.280 nan 0.000 0.501 275 N N 0.357 119.104 118.700 0.080 0.000 2.061 275 N HA -0.225 4.535 4.740 0.033 0.000 0.193 275 N C 1.931 177.454 175.510 0.021 0.000 1.030 275 N CA 1.354 54.446 53.050 0.069 0.000 0.856 275 N CB -0.511 38.041 38.487 0.109 0.000 1.023 275 N HN 0.248 nan 8.380 nan 0.000 0.424 276 Y N 0.717 120.879 120.300 -0.230 0.000 2.145 276 Y HA -0.053 4.520 4.550 0.039 0.000 0.286 276 Y C 2.074 177.849 175.900 -0.209 0.000 1.145 276 Y CA 1.607 59.486 58.100 -0.368 0.000 1.148 276 Y CB -0.348 37.757 38.460 -0.592 0.000 0.981 276 Y HN 0.149 nan 8.280 nan 0.000 0.507 277 I N -0.270 120.234 120.570 -0.110 0.000 2.226 277 I HA -0.366 3.823 4.170 0.033 0.000 0.245 277 I C 2.687 178.730 176.117 -0.122 0.000 1.100 277 I CA 1.858 63.090 61.300 -0.114 0.000 1.374 277 I CB -0.368 37.626 38.000 -0.011 0.000 1.057 277 I HN 0.370 nan 8.210 nan 0.000 0.413 278 M N 0.650 120.208 119.600 -0.071 0.000 2.132 278 M HA -0.199 4.301 4.480 0.033 0.000 0.263 278 M C 2.060 178.322 176.300 -0.064 0.000 1.065 278 M CA 1.773 57.046 55.300 -0.045 0.000 1.122 278 M CB -0.064 32.534 32.600 -0.005 0.000 1.365 278 M HN -0.039 nan 8.290 nan 0.000 0.411 279 K N 0.143 120.489 120.400 -0.091 0.000 2.283 279 K HA -0.034 4.306 4.320 0.033 0.000 0.202 279 K C 1.711 178.225 176.600 -0.143 0.000 1.048 279 K CA 1.740 57.986 56.287 -0.068 0.000 0.948 279 K CB -0.603 31.917 32.500 0.034 0.000 0.742 279 K HN 0.617 nan 8.250 nan 0.000 0.458 280 T N -2.905 111.484 114.554 -0.276 0.000 3.092 280 T HA 0.135 4.505 4.350 0.033 0.000 0.258 280 T C 0.053 174.675 174.700 -0.129 0.000 1.031 280 T CA -0.362 61.592 62.100 -0.244 0.000 0.925 280 T CB -0.373 68.228 68.868 -0.444 0.000 1.036 280 T HN 0.143 nan 8.240 nan 0.000 0.544 281 N N 1.314 119.956 118.700 -0.096 0.000 2.727 281 N HA -0.148 4.612 4.740 0.033 0.000 0.249 281 N C 0.890 176.369 175.510 -0.053 0.000 1.048 281 N CA 0.594 53.610 53.050 -0.056 0.000 0.714 281 N CB -1.501 36.967 38.487 -0.032 0.000 0.959 281 N HN 0.848 nan 8.380 nan 0.000 0.544 282 G N -1.004 107.755 108.800 -0.068 0.000 2.296 282 G HA2 -0.386 3.593 3.960 0.033 0.000 0.282 282 G HA3 -0.386 3.593 3.960 0.033 0.000 0.282 282 G C 0.804 175.675 174.900 -0.049 0.000 1.014 282 G CA 1.073 46.142 45.100 -0.051 0.000 0.812 282 G HN 0.542 nan 8.290 nan 0.000 0.508 283 T N -0.668 113.851 114.554 -0.060 0.000 3.085 283 T HA 0.408 4.778 4.350 0.033 0.000 0.263 283 T C 1.030 175.684 174.700 -0.076 0.000 1.127 283 T CA 1.638 63.710 62.100 -0.046 0.000 1.103 283 T CB -0.310 68.546 68.868 -0.020 0.000 0.921 283 T HN 1.032 nan 8.240 nan 0.000 0.510 284 M N -1.283 118.255 119.600 -0.104 0.000 2.520 284 M HA 0.648 5.148 4.480 0.033 0.000 0.280 284 M C -0.867 175.337 176.300 -0.160 0.000 1.232 284 M CA -0.868 54.321 55.300 -0.184 0.000 0.892 284 M CB 1.939 34.431 32.600 -0.181 0.000 1.728 284 M HN -0.360 nan 8.290 nan 0.000 0.475 285 S N 1.360 116.912 115.700 -0.247 0.000 2.681 285 S HA 0.813 5.303 4.470 0.033 0.000 0.270 285 S C -0.548 173.945 174.600 -0.179 0.000 1.209 285 S CA -0.719 57.401 58.200 -0.133 0.000 0.988 285 S CB 0.824 64.011 63.200 -0.021 0.000 1.006 285 S HN 0.569 nan 8.310 nan 0.000 0.558 286 L N 0.890 122.041 121.223 -0.120 0.000 2.393 286 L HA 0.536 4.895 4.340 0.033 0.000 0.260 286 L C -1.232 175.585 176.870 -0.089 0.000 1.002 286 L CA -0.770 53.997 54.840 -0.122 0.000 0.818 286 L CB 1.291 43.339 42.059 -0.018 0.000 1.369 286 L HN 0.507 nan 8.230 nan 0.000 0.412 287 F N 0.514 120.493 119.950 0.048 0.000 2.484 287 F HA 0.039 4.586 4.527 0.034 0.000 0.360 287 F C 1.020 176.952 175.800 0.219 0.000 1.101 287 F CA -0.035 58.055 58.000 0.150 0.000 1.251 287 F CB 0.280 39.302 39.000 0.036 0.000 1.132 287 F HN 0.366 nan 8.300 nan 0.000 0.570 288 D N 3.130 123.840 120.400 0.516 0.000 2.608 288 D HA 0.226 4.885 4.640 0.033 0.000 0.224 288 D C 1.062 177.438 176.300 0.127 0.000 1.123 288 D CA 0.150 54.281 54.000 0.218 0.000 1.030 288 D CB 0.407 41.268 40.800 0.102 0.000 1.093 288 D HN 0.596 nan 8.370 nan 0.000 0.497 289 A N 4.107 126.973 122.820 0.075 0.000 1.908 289 A HA -0.097 4.242 4.320 0.033 0.000 0.218 289 A C -0.357 177.165 177.584 -0.103 0.000 1.181 289 A CA 0.917 52.850 52.037 -0.173 0.000 0.627 289 A CB -1.027 17.494 19.000 -0.797 0.000 0.818 289 A HN 0.399 nan 8.150 nan 0.000 0.445 290 P HA -0.149 nan 4.420 nan 0.000 0.216 290 P C 1.595 178.684 177.300 -0.352 0.000 1.150 290 P CA 0.864 63.851 63.100 -0.189 0.000 0.837 290 P CB -0.050 31.562 31.700 -0.146 0.000 0.786 291 L N -1.147 119.851 121.223 -0.375 0.000 2.093 291 L HA -0.157 4.203 4.340 0.033 0.000 0.208 291 L C 2.403 178.763 176.870 -0.850 0.000 1.085 291 L CA 1.908 56.369 54.840 -0.631 0.000 0.755 291 L CB -1.396 40.323 42.059 -0.567 0.000 0.904 291 L HN 0.028 nan 8.230 nan 0.000 0.435 292 H N -0.822 117.842 119.070 -0.677 0.000 2.353 292 H HA -0.193 4.382 4.556 0.033 0.000 0.300 292 H C 2.126 177.247 175.328 -0.346 0.000 1.090 292 H CA 2.162 57.907 56.048 -0.505 0.000 1.327 292 H CB -0.193 29.308 29.762 -0.434 0.000 1.383 292 H HN 0.463 nan 8.280 nan 0.000 0.508 293 N N 0.042 118.358 118.700 -0.640 0.000 2.166 293 N HA -0.138 4.621 4.740 0.033 0.000 0.186 293 N C 1.597 176.787 175.510 -0.533 0.000 1.019 293 N CA 1.316 53.936 53.050 -0.716 0.000 0.856 293 N CB 0.026 37.800 38.487 -1.188 0.000 0.993 293 N HN 0.237 nan 8.380 nan 0.000 0.426 294 K N -0.111 119.951 120.400 -0.562 0.000 2.002 294 K HA -0.118 4.222 4.320 0.033 0.000 0.209 294 K C 1.877 178.100 176.600 -0.629 0.000 1.048 294 K CA 0.990 56.954 56.287 -0.539 0.000 0.930 294 K CB -0.736 31.448 32.500 -0.528 0.000 0.714 294 K HN 0.227 nan 8.250 nan 0.000 0.438 295 F N 0.490 120.099 119.950 -0.567 0.000 2.091 295 F HA -0.232 4.315 4.527 0.033 0.000 0.299 295 F C 2.553 177.914 175.800 -0.731 0.000 1.103 295 F CA 0.838 58.494 58.000 -0.574 0.000 1.228 295 F CB -1.394 37.394 39.000 -0.354 0.000 0.984 295 F HN 0.116 nan 8.300 nan 0.000 0.477 296 Y N 0.946 120.930 120.300 -0.525 0.000 2.145 296 Y HA -0.248 4.322 4.550 0.033 0.000 0.286 296 Y C 2.524 178.149 175.900 -0.460 0.000 1.145 296 Y CA 2.285 60.094 58.100 -0.486 0.000 1.148 296 Y CB -0.997 37.159 38.460 -0.506 0.000 0.981 296 Y HN 0.008 nan 8.280 nan 0.000 0.507 297 T N 0.875 115.064 114.554 -0.608 0.000 2.684 297 T HA -0.218 4.152 4.350 0.033 0.000 0.267 297 T C 2.130 176.410 174.700 -0.700 0.000 1.036 297 T CA 1.706 63.454 62.100 -0.587 0.000 1.148 297 T CB -0.878 67.780 68.868 -0.351 0.000 0.863 297 T HN 0.496 nan 8.240 nan 0.000 0.436 298 A N 1.862 124.017 122.820 -1.109 0.000 1.933 298 A HA -0.112 4.228 4.320 0.033 0.000 0.218 298 A C 2.567 179.637 177.584 -0.857 0.000 1.175 298 A CA 2.162 53.465 52.037 -1.224 0.000 0.628 298 A CB -0.903 17.057 19.000 -1.734 0.000 0.814 298 A HN 0.616 nan 8.150 nan 0.000 0.444 299 S N -0.446 114.631 115.700 -1.039 0.000 2.447 299 S HA -0.087 4.403 4.470 0.033 0.000 0.233 299 S C 1.368 175.964 174.600 -0.006 0.000 1.006 299 S CA 1.265 59.120 58.200 -0.574 0.000 0.957 299 S CB -0.112 62.736 63.200 -0.586 0.000 0.773 299 S HN 0.498 nan 8.310 nan 0.000 0.507 300 K N 0.985 121.238 120.400 -0.245 0.000 2.358 300 K HA 0.365 4.705 4.320 0.033 0.000 0.197 300 K C 1.014 177.570 176.600 -0.074 0.000 1.025 300 K CA 0.169 56.368 56.287 -0.147 0.000 1.104 300 K CB -0.018 32.283 32.500 -0.332 0.000 0.855 300 K HN 0.336 nan 8.250 nan 0.000 0.531 301 S N 0.587 116.260 115.700 -0.045 0.000 2.593 301 S HA 0.103 4.592 4.470 0.033 0.000 0.217 301 S C 1.155 175.785 174.600 0.049 0.000 0.966 301 S CA 0.470 58.682 58.200 0.019 0.000 0.914 301 S CB 0.038 63.287 63.200 0.082 0.000 0.776 301 S HN 0.566 nan 8.310 nan 0.000 0.523 302 G N 1.204 110.029 108.800 0.042 0.000 2.296 302 G HA2 -0.161 3.819 3.960 0.033 0.000 0.282 302 G HA3 -0.161 3.819 3.960 0.033 0.000 0.282 302 G C 0.967 175.854 174.900 -0.023 0.000 1.014 302 G CA 0.414 45.478 45.100 -0.060 0.000 0.812 302 G HN 1.250 nan 8.290 nan 0.000 0.508 303 G N -2.350 106.517 108.800 0.111 0.000 2.232 303 G HA2 -0.110 3.870 3.960 0.033 0.000 0.226 303 G HA3 -0.110 3.870 3.960 0.033 0.000 0.226 303 G C 1.522 176.511 174.900 0.148 0.000 0.996 303 G CA 1.388 46.580 45.100 0.152 0.000 0.626 303 G HN 2.119 nan 8.290 nan 0.000 0.509 304 T N -1.534 113.087 114.554 0.113 0.000 3.055 304 T HA 0.332 4.702 4.350 0.033 0.000 0.265 304 T C 1.132 175.889 174.700 0.094 0.000 1.111 304 T CA 0.694 62.841 62.100 0.079 0.000 1.118 304 T CB -0.011 68.882 68.868 0.042 0.000 0.909 304 T HN 0.820 nan 8.240 nan 0.000 0.501 305 F N 3.449 123.405 119.950 0.009 0.000 2.572 305 F HA 0.266 4.813 4.527 0.033 0.000 0.370 305 F C 0.363 176.172 175.800 0.015 0.000 1.103 305 F CA -1.035 56.957 58.000 -0.013 0.000 1.286 305 F CB 0.359 39.330 39.000 -0.048 0.000 1.105 305 F HN -0.013 nan 8.300 nan 0.000 0.583 306 D N 7.178 127.152 120.400 -0.711 0.000 2.393 306 D HA 0.050 4.710 4.640 0.033 0.000 0.232 306 D C 1.099 177.140 176.300 -0.430 0.000 1.192 306 D CA -0.178 53.560 54.000 -0.437 0.000 0.882 306 D CB 0.575 41.148 40.800 -0.377 0.000 1.038 306 D HN 0.506 nan 8.370 nan 0.000 0.499 307 M N 2.905 122.519 119.600 0.024 0.000 2.346 307 M HA -0.128 4.372 4.480 0.033 0.000 0.263 307 M C 1.622 178.018 176.300 0.160 0.000 1.064 307 M CA 1.006 56.453 55.300 0.245 0.000 1.083 307 M CB -0.501 32.296 32.600 0.328 0.000 1.399 307 M HN 0.407 nan 8.290 nan 0.000 0.435 308 R N -0.222 120.317 120.500 0.064 0.000 2.241 308 R HA -0.083 4.277 4.340 0.033 0.000 0.224 308 R C 1.849 178.169 176.300 0.034 0.000 1.101 308 R CA 1.663 57.807 56.100 0.072 0.000 0.995 308 R CB -0.460 29.863 30.300 0.038 0.000 0.870 308 R HN 0.536 nan 8.270 nan 0.000 0.463 309 T N -2.262 112.265 114.554 -0.046 0.000 3.069 309 T HA 0.084 4.454 4.350 0.033 0.000 0.252 309 T C 1.550 176.279 174.700 0.048 0.000 1.053 309 T CA -0.257 61.812 62.100 -0.052 0.000 0.964 309 T CB 0.133 68.889 68.868 -0.186 0.000 1.005 309 T HN -0.011 nan 8.240 nan 0.000 0.532 310 L N 1.145 122.451 121.223 0.138 0.000 2.043 310 L HA 0.104 4.463 4.340 0.033 0.000 0.212 310 L C 2.250 179.101 176.870 -0.031 0.000 1.075 310 L CA 1.976 56.879 54.840 0.104 0.000 0.752 310 L CB -0.517 41.541 42.059 -0.001 0.000 0.891 310 L HN 0.375 nan 8.230 nan 0.000 0.432 311 M N -1.932 117.695 119.600 0.046 0.000 2.510 311 M HA 0.045 4.544 4.480 0.033 0.000 0.256 311 M C 0.372 176.679 176.300 0.011 0.000 1.132 311 M CA -0.011 55.318 55.300 0.048 0.000 1.105 311 M CB -0.136 32.545 32.600 0.136 0.000 1.375 311 M HN 0.028 nan 8.290 nan 0.000 0.477 312 T N 3.066 117.627 114.554 0.011 0.000 2.822 312 T HA -0.044 4.325 4.350 0.033 0.000 0.288 312 T C 0.497 175.186 174.700 -0.018 0.000 0.991 312 T CA 0.338 62.438 62.100 0.001 0.000 1.176 312 T CB -0.162 68.704 68.868 -0.003 0.000 0.951 312 T HN 0.375 nan 8.240 nan 0.000 0.526 313 N N 1.132 119.828 118.700 -0.006 0.000 2.758 313 N HA -0.142 4.618 4.740 0.033 0.000 0.248 313 N C 0.102 175.579 175.510 -0.054 0.000 1.076 313 N CA 1.360 54.401 53.050 -0.014 0.000 0.696 313 N CB -1.475 37.001 38.487 -0.018 0.000 0.979 313 N HN 0.934 nan 8.380 nan 0.000 0.550 314 T N -3.799 110.727 114.554 -0.048 0.000 2.930 314 T HA 0.604 4.974 4.350 0.033 0.000 0.290 314 T C 1.413 176.088 174.700 -0.041 0.000 1.052 314 T CA -1.009 61.044 62.100 -0.079 0.000 1.017 314 T CB 1.866 70.673 68.868 -0.102 0.000 1.137 314 T HN 0.004 nan 8.240 nan 0.000 0.511 315 L N 0.777 121.972 121.223 -0.048 0.000 2.141 315 L HA 0.017 4.376 4.340 0.033 0.000 0.209 315 L C 2.766 179.650 176.870 0.024 0.000 1.094 315 L CA 1.169 56.005 54.840 -0.007 0.000 0.763 315 L CB -0.365 41.691 42.059 -0.004 0.000 0.908 315 L HN 0.831 nan 8.230 nan 0.000 0.437 316 M N -0.259 119.351 119.600 0.017 0.000 2.149 316 M HA -0.299 4.200 4.480 0.033 0.000 0.261 316 M C 2.241 178.551 176.300 0.016 0.000 1.064 316 M CA 1.846 57.161 55.300 0.026 0.000 1.102 316 M CB -0.036 32.586 32.600 0.036 0.000 1.369 316 M HN 0.096 nan 8.290 nan 0.000 0.408 317 K N -0.287 120.124 120.400 0.019 0.000 2.044 317 K HA -0.127 4.213 4.320 0.033 0.000 0.204 317 K C 1.354 177.972 176.600 0.030 0.000 1.045 317 K CA 1.628 57.927 56.287 0.020 0.000 0.951 317 K CB -0.014 32.501 32.500 0.025 0.000 0.738 317 K HN 0.293 nan 8.250 nan 0.000 0.443 318 D N 0.605 121.041 120.400 0.059 0.000 2.117 318 D HA -0.092 4.568 4.640 0.033 0.000 0.198 318 D C 0.458 176.800 176.300 0.070 0.000 0.982 318 D CA 1.125 55.180 54.000 0.092 0.000 0.828 318 D CB 0.252 41.202 40.800 0.251 0.000 0.967 318 D HN 0.178 nan 8.370 nan 0.000 0.464 319 Q N 0.072 119.915 119.800 0.072 0.000 3.230 319 Q HA 0.152 4.512 4.340 0.033 0.000 0.303 319 Q C -1.974 174.052 176.000 0.042 0.000 0.884 319 Q CA -1.182 54.653 55.803 0.053 0.000 0.859 319 Q CB 2.102 30.883 28.738 0.071 0.000 1.432 319 Q HN 0.176 nan 8.270 nan 0.000 0.403 320 P HA -0.192 nan 4.420 nan 0.000 0.217 320 P C 1.110 178.432 177.300 0.037 0.000 1.148 320 P CA 1.644 64.758 63.100 0.024 0.000 0.828 320 P CB 0.015 31.714 31.700 -0.002 0.000 0.783 321 T N -3.878 110.695 114.554 0.033 0.000 3.129 321 T HA 0.146 4.515 4.350 0.033 0.000 0.251 321 T C 1.388 176.130 174.700 0.070 0.000 1.117 321 T CA 0.209 62.333 62.100 0.040 0.000 1.034 321 T CB -0.630 68.250 68.868 0.021 0.000 0.968 321 T HN 0.088 nan 8.240 nan 0.000 0.526 322 L N 0.598 121.863 121.223 0.070 0.000 3.122 322 L HA 0.588 4.948 4.340 0.033 0.000 0.274 322 L C 0.552 177.469 176.870 0.079 0.000 1.222 322 L CA -0.588 54.296 54.840 0.073 0.000 1.028 322 L CB 0.365 42.446 42.059 0.037 0.000 1.386 322 L HN 0.244 nan 8.230 nan 0.000 0.578 323 A N 0.558 123.442 122.820 0.106 0.000 2.303 323 A HA 0.696 5.036 4.320 0.033 0.000 0.320 323 A C -0.531 177.159 177.584 0.177 0.000 1.192 323 A CA -0.327 51.779 52.037 0.114 0.000 0.821 323 A CB 1.323 20.380 19.000 0.094 0.000 1.188 323 A HN -0.052 nan 8.150 nan 0.000 0.492 324 V N 3.584 123.597 119.914 0.165 0.000 2.311 324 V HA 0.389 4.529 4.120 0.033 0.000 0.275 324 V C 0.619 176.948 176.094 0.392 0.000 1.022 324 V CA -0.173 62.250 62.300 0.204 0.000 0.830 324 V CB 1.071 32.869 31.823 -0.041 0.000 1.012 324 V HN 1.030 nan 8.190 nan 0.000 0.452 325 T N 2.929 117.701 114.554 0.364 0.000 2.909 325 T HA 0.809 5.179 4.350 0.033 0.000 0.289 325 T C -0.629 174.398 174.700 0.545 0.000 1.005 325 T CA -0.408 61.927 62.100 0.393 0.000 1.084 325 T CB 1.322 70.342 68.868 0.253 0.000 0.975 325 T HN 0.632 nan 8.240 nan 0.000 0.509 326 F N -0.691 119.426 119.950 0.279 0.000 2.713 326 F HA 0.679 5.226 4.527 0.033 0.000 0.311 326 F C -0.248 175.692 175.800 0.234 0.000 1.141 326 F CA -1.544 56.598 58.000 0.237 0.000 0.939 326 F CB 0.450 39.593 39.000 0.239 0.000 1.325 326 F HN 0.278 nan 8.300 nan 0.000 0.453 327 V N -0.517 119.423 119.914 0.043 0.000 2.521 327 V HA 0.230 4.370 4.120 0.033 0.000 0.239 327 V C -0.129 176.026 176.094 0.103 0.000 1.053 327 V CA 1.203 63.436 62.300 -0.112 0.000 1.073 327 V CB -0.221 31.226 31.823 -0.628 0.000 0.746 327 V HN 0.808 nan 8.190 nan 0.000 0.476 328 D N -0.802 119.684 120.400 0.144 0.000 2.596 328 D HA 0.449 5.109 4.640 0.033 0.000 0.262 328 D C -1.308 174.820 176.300 -0.287 0.000 1.210 328 D CA -0.221 53.782 54.000 0.006 0.000 0.873 328 D CB 2.639 43.278 40.800 -0.269 0.000 1.408 328 D HN 0.409 nan 8.370 nan 0.000 0.441 329 N N -1.839 116.472 118.700 -0.648 0.000 3.243 329 N HA 0.071 4.831 4.740 0.033 0.000 0.280 329 N C 0.858 175.819 175.510 -0.916 0.000 1.545 329 N CA -0.456 51.901 53.050 -1.154 0.000 0.854 329 N CB 0.176 38.273 38.487 -0.649 0.000 1.612 329 N HN 0.374 nan 8.380 nan 0.000 0.577 330 H N -1.470 117.247 119.070 -0.588 0.000 2.489 330 H HA 0.008 4.583 4.556 0.032 0.000 0.295 330 H C -0.374 174.884 175.328 -0.116 0.000 1.082 330 H CA 1.462 57.467 56.048 -0.072 0.000 1.295 330 H CB -0.204 29.637 29.762 0.131 0.000 1.380 330 H HN 0.548 nan 8.280 nan 0.000 0.548 331 D N 0.901 120.784 120.400 -0.861 0.000 2.305 331 D HA -0.050 4.609 4.640 0.033 0.000 0.206 331 D C 1.848 177.817 176.300 -0.551 0.000 0.974 331 D CA 1.671 55.200 54.000 -0.785 0.000 0.871 331 D CB 0.052 40.231 40.800 -1.035 0.000 0.947 331 D HN 0.643 nan 8.370 nan 0.000 0.516 332 T N -1.857 112.454 114.554 -0.404 0.000 3.107 332 T HA 0.096 4.466 4.350 0.033 0.000 0.249 332 T C 0.774 175.541 174.700 0.112 0.000 1.096 332 T CA -0.216 61.794 62.100 -0.150 0.000 1.012 332 T CB 0.252 69.044 68.868 -0.127 0.000 0.977 332 T HN -0.041 nan 8.240 nan 0.000 0.527 333 E N 2.690 122.920 120.200 0.049 0.000 2.418 333 E HA 0.149 4.519 4.350 0.033 0.000 0.261 333 E C -2.494 173.983 176.600 -0.206 0.000 1.070 333 E CA -1.815 54.561 56.400 -0.039 0.000 0.931 333 E CB 0.155 29.850 29.700 -0.007 0.000 0.954 333 E HN 0.234 nan 8.360 nan 0.000 0.439 334 P HA -0.065 nan 4.420 nan 0.000 0.264 334 P C 0.478 177.536 177.300 -0.403 0.000 1.183 334 P CA 1.074 63.828 63.100 -0.577 0.000 0.763 334 P CB 0.444 31.427 31.700 -1.195 0.000 0.807 335 G N 0.710 109.397 108.800 -0.190 0.000 2.184 335 G HA2 -0.224 3.756 3.960 0.033 0.000 0.264 335 G HA3 -0.224 3.756 3.960 0.033 0.000 0.264 335 G C 0.348 175.202 174.900 -0.078 0.000 0.975 335 G CA -0.112 44.977 45.100 -0.019 0.000 0.642 335 G HN 0.502 nan 8.290 nan 0.000 0.536 336 Q N -0.627 119.054 119.800 -0.197 0.000 2.171 336 Q HA 0.760 5.120 4.340 0.033 0.000 0.217 336 Q C 1.849 177.641 176.000 -0.347 0.000 0.995 336 Q CA 0.209 55.778 55.803 -0.390 0.000 0.979 336 Q CB 0.726 29.138 28.738 -0.542 0.000 1.152 336 Q HN 0.547 nan 8.270 nan 0.000 0.525 337 A N 0.631 123.181 122.820 -0.449 0.000 1.869 337 A HA -0.164 4.176 4.320 0.033 0.000 0.218 337 A C 1.392 178.786 177.584 -0.317 0.000 1.203 337 A CA 1.746 53.563 52.037 -0.366 0.000 0.638 337 A CB -0.599 18.145 19.000 -0.425 0.000 0.831 337 A HN 0.569 nan 8.150 nan 0.000 0.450 338 L N 0.928 121.904 121.223 -0.411 0.000 2.912 338 L HA 0.130 4.490 4.340 0.033 0.000 0.240 338 L C 0.450 177.193 176.870 -0.212 0.000 1.262 338 L CA -0.470 54.161 54.840 -0.348 0.000 1.058 338 L CB -0.453 41.197 42.059 -0.680 0.000 1.383 338 L HN 0.592 nan 8.230 nan 0.000 0.512 339 Q N 1.074 120.766 119.800 -0.181 0.000 2.320 339 Q HA 0.027 4.387 4.340 0.033 0.000 0.311 339 Q C -0.074 175.877 176.000 -0.081 0.000 1.083 339 Q CA 0.637 56.379 55.803 -0.102 0.000 1.001 339 Q CB 0.214 28.892 28.738 -0.100 0.000 1.074 339 Q HN 0.347 nan 8.270 nan 0.000 0.379 340 S N 3.101 118.769 115.700 -0.054 0.000 2.640 340 S HA 0.078 4.568 4.470 0.033 0.000 0.163 340 S C -0.954 173.607 174.600 -0.066 0.000 0.936 340 S CA -0.891 57.044 58.200 -0.441 0.000 1.081 340 S CB -0.339 62.556 63.200 -0.508 0.000 1.720 340 S HN 0.742 nan 8.310 nan 0.000 0.488 341 W N 2.834 124.140 121.300 0.010 0.000 2.308 341 W HA 0.336 5.015 4.660 0.032 0.000 0.324 341 W C -0.602 176.096 176.519 0.298 0.000 1.387 341 W CA -0.089 57.353 57.345 0.161 0.000 1.250 341 W CB 0.792 30.311 29.460 0.099 0.000 1.257 341 W HN 0.254 nan 8.180 nan 0.000 0.554 342 V N 7.399 127.183 119.914 -0.217 0.000 2.521 342 V HA -0.112 4.028 4.120 0.033 0.000 0.286 342 V C 0.536 176.488 176.094 -0.237 0.000 1.034 342 V CA -0.025 62.164 62.300 -0.186 0.000 1.045 342 V CB 0.339 31.998 31.823 -0.274 0.000 0.974 342 V HN 0.370 nan 8.190 nan 0.000 0.480 343 D N 7.083 127.455 120.400 -0.047 0.000 2.488 343 D HA 0.070 4.729 4.640 0.033 0.000 0.238 343 D C -1.249 175.061 176.300 0.017 0.000 1.138 343 D CA -1.317 52.743 54.000 0.101 0.000 0.873 343 D CB 1.291 42.254 40.800 0.272 0.000 1.183 343 D HN 0.299 nan 8.370 nan 0.000 0.458 344 P HA -0.182 nan 4.420 nan 0.000 0.216 344 P C 1.671 179.037 177.300 0.111 0.000 1.154 344 P CA 1.372 64.558 63.100 0.142 0.000 0.865 344 P CB -0.126 31.707 31.700 0.220 0.000 0.789 345 W N -0.960 120.391 121.300 0.085 0.000 2.342 345 W HA -0.147 4.533 4.660 0.034 0.000 0.297 345 W C 1.633 178.198 176.519 0.075 0.000 1.213 345 W CA 0.637 58.026 57.345 0.072 0.000 1.251 345 W CB -1.803 27.704 29.460 0.078 0.000 1.136 345 W HN -0.056 nan 8.180 nan 0.000 0.526 346 F N 2.353 121.592 119.950 -1.185 0.000 2.473 346 F HA 0.079 4.626 4.527 0.032 0.000 0.294 346 F C 2.713 178.139 175.800 -0.624 0.000 1.103 346 F CA 1.723 58.992 58.000 -1.219 0.000 1.442 346 F CB -0.438 37.638 39.000 -1.541 0.000 1.097 346 F HN -0.234 nan 8.300 nan 0.000 0.547 347 K N 0.795 120.998 120.400 -0.329 0.000 2.077 347 K HA -0.216 4.123 4.320 0.033 0.000 0.213 347 K C -0.942 175.542 176.600 -0.193 0.000 1.051 347 K CA 2.365 58.505 56.287 -0.247 0.000 0.929 347 K CB -1.216 31.230 32.500 -0.089 0.000 0.715 347 K HN 0.158 nan 8.250 nan 0.000 0.451 348 P HA -0.109 nan 4.420 nan 0.000 0.219 348 P C 0.852 178.043 177.300 -0.182 0.000 1.150 348 P CA 0.886 63.940 63.100 -0.076 0.000 0.814 348 P CB 0.123 31.778 31.700 -0.074 0.000 0.787 349 L N -0.491 120.469 121.223 -0.438 0.000 2.056 349 L HA -0.085 4.275 4.340 0.033 0.000 0.207 349 L C 2.483 179.050 176.870 -0.505 0.000 1.078 349 L CA 1.925 56.457 54.840 -0.515 0.000 0.749 349 L CB -1.891 39.612 42.059 -0.927 0.000 0.901 349 L HN -0.098 nan 8.230 nan 0.000 0.433 350 A N -1.588 120.729 122.820 -0.840 0.000 1.902 350 A HA -0.244 4.096 4.320 0.033 0.000 0.217 350 A C 2.221 179.474 177.584 -0.552 0.000 1.181 350 A CA 1.546 52.958 52.037 -1.041 0.000 0.623 350 A CB -0.923 17.119 19.000 -1.596 0.000 0.818 350 A HN 0.394 nan 8.150 nan 0.000 0.443 351 Y N -0.111 120.013 120.300 -0.294 0.000 2.242 351 Y HA -0.058 4.511 4.550 0.032 0.000 0.291 351 Y C 2.888 178.796 175.900 0.012 0.000 1.137 351 Y CA 0.702 58.747 58.100 -0.092 0.000 1.181 351 Y CB -0.545 37.875 38.460 -0.066 0.000 0.989 351 Y HN 0.336 nan 8.280 nan 0.000 0.527 352 A N -0.508 122.414 122.820 0.170 0.000 1.902 352 A HA -0.226 4.114 4.320 0.033 0.000 0.217 352 A C 2.130 179.935 177.584 0.369 0.000 1.181 352 A CA 1.506 53.685 52.037 0.236 0.000 0.623 352 A CB -1.310 17.805 19.000 0.192 0.000 0.818 352 A HN 0.462 nan 8.150 nan 0.000 0.443 353 F N 1.286 121.331 119.950 0.159 0.000 2.069 353 F HA -0.203 4.343 4.527 0.032 0.000 0.298 353 F C 2.111 177.865 175.800 -0.076 0.000 1.113 353 F CA 2.189 60.183 58.000 -0.010 0.000 1.214 353 F CB -0.202 38.810 39.000 0.021 0.000 0.978 353 F HN 0.358 nan 8.300 nan 0.000 0.474 354 I N -1.967 118.725 120.570 0.203 0.000 2.617 354 I HA -0.108 4.082 4.170 0.033 0.000 0.256 354 I C 1.696 177.866 176.117 0.088 0.000 1.167 354 I CA 1.226 62.606 61.300 0.134 0.000 1.469 354 I CB -0.543 37.601 38.000 0.240 0.000 1.098 354 I HN 0.151 nan 8.210 nan 0.000 0.436 355 L N 1.263 122.566 121.223 0.133 0.000 2.307 355 L HA 0.018 4.378 4.340 0.033 0.000 0.211 355 L C 2.468 179.383 176.870 0.074 0.000 1.099 355 L CA 1.406 56.322 54.840 0.127 0.000 0.816 355 L CB -0.356 41.804 42.059 0.168 0.000 0.952 355 L HN 0.461 nan 8.230 nan 0.000 0.455 356 T N -3.895 110.715 114.554 0.093 0.000 3.023 356 T HA 0.168 4.538 4.350 0.033 0.000 0.253 356 T C 0.991 175.712 174.700 0.035 0.000 1.038 356 T CA -0.373 61.807 62.100 0.135 0.000 0.962 356 T CB 0.206 69.269 68.868 0.325 0.000 1.018 356 T HN 0.057 nan 8.240 nan 0.000 0.521 357 R N 1.692 122.049 120.500 -0.238 0.000 2.500 357 R HA 0.312 4.671 4.340 0.033 0.000 0.275 357 R C 1.747 177.904 176.300 -0.239 0.000 1.051 357 R CA -0.303 55.533 56.100 -0.440 0.000 1.088 357 R CB 0.768 30.538 30.300 -0.882 0.000 1.063 357 R HN 0.474 nan 8.270 nan 0.000 0.511 358 Q N 0.476 120.157 119.800 -0.199 0.000 2.297 358 Q HA -0.044 4.316 4.340 0.033 0.000 0.204 358 Q C -0.511 175.426 176.000 -0.105 0.000 0.962 358 Q CA 1.029 56.755 55.803 -0.127 0.000 0.879 358 Q CB 0.154 28.834 28.738 -0.096 0.000 0.947 358 Q HN 0.461 nan 8.270 nan 0.000 0.462 359 E N 1.213 121.333 120.200 -0.133 0.000 2.338 359 E HA 0.455 4.824 4.350 0.033 0.000 0.272 359 E C 0.150 176.733 176.600 -0.029 0.000 1.029 359 E CA 0.771 57.124 56.400 -0.079 0.000 0.872 359 E CB 1.015 30.659 29.700 -0.094 0.000 1.015 359 E HN 0.458 nan 8.360 nan 0.000 0.417 360 G N 1.461 110.279 108.800 0.030 0.000 2.814 360 G HA2 -0.243 3.737 3.960 0.033 0.000 0.677 360 G HA3 -0.243 3.737 3.960 0.033 0.000 0.677 360 G C -1.583 173.424 174.900 0.180 0.000 1.429 360 G CA -0.664 44.501 45.100 0.108 0.000 0.868 360 G HN 0.409 nan 8.290 nan 0.000 0.553 361 Y N 3.046 123.392 120.300 0.077 0.000 2.464 361 Y HA 0.587 5.155 4.550 0.031 0.000 0.326 361 Y C -1.938 174.057 175.900 0.158 0.000 0.969 361 Y CA -2.978 55.170 58.100 0.079 0.000 1.270 361 Y CB 1.506 39.997 38.460 0.051 0.000 1.103 361 Y HN 0.550 nan 8.280 nan 0.000 0.491 362 P HA 0.136 nan 4.420 nan 0.000 0.275 362 P C -0.727 176.685 177.300 0.186 0.000 1.228 362 P CA -0.042 63.203 63.100 0.242 0.000 0.786 362 P CB 1.640 33.484 31.700 0.241 0.000 0.927 363 C N 4.287 123.765 119.300 0.298 0.000 2.346 363 C HA 0.419 4.898 4.460 0.033 0.000 0.326 363 C C -0.254 175.000 174.990 0.440 0.000 1.224 363 C CA -0.393 58.830 59.018 0.341 0.000 1.408 363 C CB 0.120 28.133 27.740 0.455 0.000 2.089 363 C HN 0.374 nan 8.230 nan 0.000 0.456 364 V N 6.546 126.692 119.914 0.386 0.000 2.546 364 V HA 0.313 4.452 4.120 0.033 0.000 0.284 364 V C 0.016 176.375 176.094 0.442 0.000 1.050 364 V CA -0.283 62.273 62.300 0.427 0.000 0.981 364 V CB 1.102 33.026 31.823 0.169 0.000 0.990 364 V HN 0.758 nan 8.190 nan 0.000 0.474 365 F N 4.903 125.051 119.950 0.329 0.000 2.420 365 F HA 0.299 4.845 4.527 0.033 0.000 0.352 365 F C 0.755 176.695 175.800 0.234 0.000 1.108 365 F CA -1.364 56.786 58.000 0.249 0.000 1.162 365 F CB 0.646 39.820 39.000 0.290 0.000 1.118 365 F HN 0.611 nan 8.300 nan 0.000 0.510 366 Y N 5.157 125.281 120.300 -0.294 0.000 2.114 366 Y HA -0.160 4.410 4.550 0.033 0.000 0.282 366 Y C 2.133 177.743 175.900 -0.484 0.000 1.165 366 Y CA 2.318 60.215 58.100 -0.339 0.000 1.148 366 Y CB -0.617 37.611 38.460 -0.385 0.000 0.972 366 Y HN 0.690 nan 8.280 nan 0.000 0.504 367 G N -0.364 107.798 108.800 -1.063 0.000 2.442 367 G HA2 -0.283 3.696 3.960 0.033 0.000 0.219 367 G HA3 -0.283 3.696 3.960 0.033 0.000 0.219 367 G C 1.330 176.160 174.900 -0.117 0.000 1.141 367 G CA 1.240 45.986 45.100 -0.590 0.000 0.763 367 G HN 0.422 nan 8.290 nan 0.000 0.554 368 D N -0.917 119.465 120.400 -0.030 0.000 2.149 368 D HA -0.056 4.604 4.640 0.033 0.000 0.201 368 D C 1.931 178.226 176.300 -0.008 0.000 0.972 368 D CA 0.546 54.655 54.000 0.182 0.000 0.835 368 D CB -0.245 40.769 40.800 0.356 0.000 0.966 368 D HN 0.362 nan 8.370 nan 0.000 0.476 369 Y N -0.143 119.992 120.300 -0.276 0.000 2.184 369 Y HA -0.213 4.357 4.550 0.034 0.000 0.290 369 Y C 1.522 177.075 175.900 -0.578 0.000 1.129 369 Y CA 1.523 59.327 58.100 -0.493 0.000 1.144 369 Y CB -0.156 37.879 38.460 -0.708 0.000 0.995 369 Y HN -0.040 nan 8.280 nan 0.000 0.513 370 Y N -0.289 119.840 120.300 -0.285 0.000 2.462 370 Y HA 0.395 4.964 4.550 0.032 0.000 0.261 370 Y C 1.176 176.961 175.900 -0.193 0.000 1.146 370 Y CA 0.193 58.093 58.100 -0.334 0.000 1.283 370 Y CB 0.115 38.221 38.460 -0.590 0.000 1.090 370 Y HN 0.129 nan 8.280 nan 0.000 0.526 371 G N 0.992 109.793 108.800 0.001 0.000 2.730 371 G HA2 -0.195 3.785 3.960 0.033 0.000 0.686 371 G HA3 -0.195 3.785 3.960 0.033 0.000 0.686 371 G C -0.968 173.995 174.900 0.105 0.000 1.343 371 G CA -0.703 44.436 45.100 0.065 0.000 0.826 371 G HN 0.129 nan 8.290 nan 0.000 0.582 372 I N 2.103 122.747 120.570 0.124 0.000 2.537 372 I HA 0.244 4.434 4.170 0.033 0.000 0.276 372 I C -1.572 174.609 176.117 0.107 0.000 1.063 372 I CA -2.070 59.317 61.300 0.146 0.000 1.144 372 I CB 2.238 40.330 38.000 0.154 0.000 1.252 372 I HN 0.278 nan 8.210 nan 0.000 0.480 373 P HA -0.244 nan 4.420 nan 0.000 0.216 373 P C 1.572 178.854 177.300 -0.030 0.000 1.150 373 P CA 1.099 64.215 63.100 0.026 0.000 0.843 373 P CB 0.277 31.989 31.700 0.021 0.000 0.787 374 Q N -1.147 118.624 119.800 -0.048 0.000 2.173 374 Q HA -0.201 4.158 4.340 0.033 0.000 0.208 374 Q C 0.717 176.444 176.000 -0.454 0.000 0.989 374 Q CA 1.826 57.469 55.803 -0.266 0.000 0.872 374 Q CB -0.799 27.716 28.738 -0.372 0.000 0.909 374 Q HN 0.346 nan 8.270 nan 0.000 0.420 375 Y N -0.780 119.421 120.300 -0.165 0.000 2.696 375 Y HA 0.318 4.887 4.550 0.033 0.000 0.260 375 Y C -0.402 175.452 175.900 -0.076 0.000 1.165 375 Y CA -0.341 57.672 58.100 -0.145 0.000 1.189 375 Y CB -0.196 38.147 38.460 -0.196 0.000 1.180 375 Y HN 0.165 nan 8.280 nan 0.000 0.538 376 N N 0.718 119.437 118.700 0.032 0.000 2.727 376 N HA -0.227 4.533 4.740 0.033 0.000 0.249 376 N C -0.931 174.625 175.510 0.076 0.000 1.048 376 N CA 0.420 53.493 53.050 0.039 0.000 0.714 376 N CB -1.130 37.371 38.487 0.024 0.000 0.959 376 N HN 0.347 nan 8.380 nan 0.000 0.544 377 I N 1.371 121.999 120.570 0.096 0.000 2.312 377 I HA 0.267 4.457 4.170 0.033 0.000 0.291 377 I C -1.591 174.594 176.117 0.113 0.000 1.031 377 I CA -1.858 59.520 61.300 0.129 0.000 1.293 377 I CB 0.788 38.871 38.000 0.138 0.000 1.403 377 I HN -0.063 nan 8.210 nan 0.000 0.484 378 P HA 0.041 nan 4.420 nan 0.000 0.274 378 P C -0.369 176.957 177.300 0.044 0.000 1.246 378 P CA -0.425 62.712 63.100 0.061 0.000 0.795 378 P CB 0.985 32.715 31.700 0.051 0.000 1.006 379 S N 0.429 116.120 115.700 -0.014 0.000 2.549 379 S HA 0.156 4.646 4.470 0.033 0.000 0.279 379 S C 0.893 175.420 174.600 -0.121 0.000 1.321 379 S CA -0.538 57.605 58.200 -0.095 0.000 1.054 379 S CB -0.728 62.386 63.200 -0.143 0.000 0.899 379 S HN 0.370 nan 8.310 nan 0.000 0.497 380 L N 4.957 126.080 121.223 -0.167 0.000 2.818 380 L HA 0.264 4.623 4.340 0.033 0.000 0.243 380 L C 2.138 178.839 176.870 -0.282 0.000 1.185 380 L CA -0.094 54.653 54.840 -0.155 0.000 0.988 380 L CB -0.145 41.870 42.059 -0.073 0.000 1.292 380 L HN 0.783 nan 8.230 nan 0.000 0.519 381 K N 0.843 120.952 120.400 -0.485 0.000 2.074 381 K HA -0.244 4.096 4.320 0.033 0.000 0.209 381 K C 2.155 178.557 176.600 -0.330 0.000 1.048 381 K CA 2.093 57.963 56.287 -0.695 0.000 0.926 381 K CB 0.055 31.996 32.500 -0.932 0.000 0.713 381 K HN 0.400 nan 8.250 nan 0.000 0.444 382 S N 0.251 115.817 115.700 -0.224 0.000 2.419 382 S HA -0.077 4.413 4.470 0.033 0.000 0.233 382 S C 1.622 176.160 174.600 -0.104 0.000 1.016 382 S CA 0.779 58.900 58.200 -0.131 0.000 0.974 382 S CB -0.052 63.090 63.200 -0.096 0.000 0.786 382 S HN 0.258 nan 8.310 nan 0.000 0.492 383 K N 0.900 121.231 120.400 -0.115 0.000 2.242 383 K HA 0.358 4.697 4.320 0.033 0.000 0.200 383 K C 1.996 178.534 176.600 -0.103 0.000 1.050 383 K CA 0.489 56.721 56.287 -0.091 0.000 0.981 383 K CB -0.314 32.142 32.500 -0.074 0.000 0.795 383 K HN 0.456 nan 8.250 nan 0.000 0.477 384 I N 1.349 121.833 120.570 -0.144 0.000 2.400 384 I HA -0.190 3.999 4.170 0.033 0.000 0.248 384 I C 1.556 177.645 176.117 -0.048 0.000 1.109 384 I CA 0.873 62.082 61.300 -0.152 0.000 1.425 384 I CB -0.183 37.685 38.000 -0.220 0.000 1.094 384 I HN -0.007 nan 8.210 nan 0.000 0.425 385 D N 1.287 121.679 120.400 -0.012 0.000 2.133 385 D HA -0.164 4.496 4.640 0.033 0.000 0.192 385 D C -0.481 175.831 176.300 0.020 0.000 1.001 385 D CA 1.667 55.687 54.000 0.034 0.000 0.844 385 D CB -1.653 39.161 40.800 0.024 0.000 0.944 385 D HN 0.242 nan 8.370 nan 0.000 0.447 386 P HA -0.057 nan 4.420 nan 0.000 0.218 386 P C 1.622 178.925 177.300 0.004 0.000 1.149 386 P CA 0.770 63.867 63.100 -0.005 0.000 0.817 386 P CB 0.007 31.683 31.700 -0.040 0.000 0.785 387 L N -1.775 119.447 121.223 -0.002 0.000 2.156 387 L HA -0.106 4.253 4.340 0.033 0.000 0.208 387 L C 2.356 179.258 176.870 0.052 0.000 1.095 387 L CA 1.030 55.883 54.840 0.022 0.000 0.770 387 L CB -0.834 41.240 42.059 0.025 0.000 0.914 387 L HN -0.026 nan 8.230 nan 0.000 0.439 388 L N -0.344 120.906 121.223 0.046 0.000 2.056 388 L HA -0.205 4.155 4.340 0.033 0.000 0.207 388 L C 2.470 179.392 176.870 0.087 0.000 1.078 388 L CA 1.304 56.181 54.840 0.062 0.000 0.749 388 L CB -0.330 41.756 42.059 0.046 0.000 0.901 388 L HN 0.216 nan 8.230 nan 0.000 0.433 389 I N -0.212 120.413 120.570 0.093 0.000 2.315 389 I HA -0.261 3.928 4.170 0.033 0.000 0.248 389 I C 2.803 179.035 176.117 0.191 0.000 1.117 389 I CA 1.001 62.379 61.300 0.130 0.000 1.404 389 I CB -0.442 37.638 38.000 0.133 0.000 1.071 389 I HN 0.191 nan 8.210 nan 0.000 0.419 390 A N 0.955 123.882 122.820 0.177 0.000 1.883 390 A HA -0.276 4.064 4.320 0.033 0.000 0.217 390 A C 2.450 180.143 177.584 0.183 0.000 1.186 390 A CA 2.047 54.220 52.037 0.227 0.000 0.624 390 A CB -0.689 18.362 19.000 0.084 0.000 0.822 390 A HN 0.360 nan 8.150 nan 0.000 0.444 391 R N -0.854 119.707 120.500 0.102 0.000 2.081 391 R HA -0.120 4.240 4.340 0.033 0.000 0.235 391 R C 2.506 178.828 176.300 0.036 0.000 1.131 391 R CA 1.445 57.562 56.100 0.029 0.000 0.960 391 R CB -0.306 30.022 30.300 0.046 0.000 0.856 391 R HN 0.495 nan 8.270 nan 0.000 0.436 392 R N 0.070 120.648 120.500 0.130 0.000 2.073 392 R HA -0.137 4.223 4.340 0.033 0.000 0.234 392 R C 0.603 177.031 176.300 0.214 0.000 1.134 392 R CA 2.152 58.385 56.100 0.222 0.000 0.952 392 R CB -0.037 30.388 30.300 0.209 0.000 0.850 392 R HN 0.321 nan 8.270 nan 0.000 0.433 393 D N -1.938 118.485 120.400 0.039 0.000 2.422 393 D HA 0.016 4.675 4.640 0.033 0.000 0.218 393 D C 1.016 177.087 176.300 -0.382 0.000 1.047 393 D CA 0.686 54.513 54.000 -0.290 0.000 0.885 393 D CB 0.199 40.579 40.800 -0.698 0.000 1.035 393 D HN 0.279 nan 8.370 nan 0.000 0.502 394 Y N 0.692 121.104 120.300 0.187 0.000 2.589 394 Y HA 0.410 4.980 4.550 0.033 0.000 0.271 394 Y C 1.318 177.296 175.900 0.130 0.000 1.107 394 Y CA -0.363 57.822 58.100 0.142 0.000 1.273 394 Y CB 0.093 38.553 38.460 0.000 0.000 1.266 394 Y HN -0.191 nan 8.280 nan 0.000 0.504 395 A N 0.938 123.799 122.820 0.068 0.000 2.981 395 A HA 0.348 4.688 4.320 0.033 0.000 0.280 395 A C -1.300 176.012 177.584 -0.453 0.000 1.797 395 A CA 0.393 52.358 52.037 -0.121 0.000 1.456 395 A CB -1.851 17.076 19.000 -0.122 0.000 1.057 395 A HN 0.378 nan 8.150 nan 0.000 0.602 396 Y N -0.125 120.201 120.300 0.044 0.000 2.553 396 Y HA 0.610 5.180 4.550 0.032 0.000 0.347 396 Y C 0.769 176.690 175.900 0.035 0.000 1.019 396 Y CA 0.000 58.109 58.100 0.014 0.000 1.032 396 Y CB 1.960 40.404 38.460 -0.026 0.000 1.284 396 Y HN 1.103 nan 8.280 nan 0.000 0.466 397 G N 0.311 109.214 108.800 0.172 0.000 2.728 397 G HA2 -0.159 3.821 3.960 0.033 0.000 0.294 397 G HA3 -0.159 3.821 3.960 0.033 0.000 0.294 397 G C -0.708 174.230 174.900 0.062 0.000 1.342 397 G CA -0.757 44.412 45.100 0.115 0.000 0.866 397 G HN 0.666 nan 8.290 nan 0.000 0.534 398 T N 0.959 115.541 114.554 0.047 0.000 2.905 398 T HA 0.331 4.700 4.350 0.033 0.000 0.299 398 T C 0.667 175.308 174.700 -0.097 0.000 1.024 398 T CA 1.254 63.334 62.100 -0.033 0.000 1.151 398 T CB 0.925 69.785 68.868 -0.014 0.000 0.987 398 T HN 0.733 nan 8.240 nan 0.000 0.535 399 Q N 1.746 121.433 119.800 -0.188 0.000 2.274 399 Q HA 0.344 4.704 4.340 0.033 0.000 0.260 399 Q C -1.299 174.481 176.000 -0.368 0.000 0.974 399 Q CA -0.803 54.912 55.803 -0.146 0.000 0.876 399 Q CB 0.776 29.476 28.738 -0.064 0.000 1.297 399 Q HN 0.782 nan 8.270 nan 0.000 0.446 400 H N 1.579 120.733 119.070 0.141 0.000 2.658 400 H HA 0.325 4.901 4.556 0.033 0.000 0.337 400 H C -1.328 174.049 175.328 0.082 0.000 1.009 400 H CA -0.793 55.306 56.048 0.086 0.000 1.231 400 H CB 1.380 31.249 29.762 0.178 0.000 1.508 400 H HN 0.533 nan 8.280 nan 0.000 0.517 401 D N 1.868 122.255 120.400 -0.022 0.000 2.225 401 D HA 0.152 4.812 4.640 0.033 0.000 0.249 401 D C -0.508 175.618 176.300 -0.290 0.000 1.052 401 D CA -0.139 53.876 54.000 0.024 0.000 0.909 401 D CB 1.132 41.958 40.800 0.043 0.000 1.186 401 D HN 0.544 nan 8.370 nan 0.000 0.431 402 Y N 1.049 121.519 120.300 0.283 0.000 2.490 402 Y HA 0.266 4.836 4.550 0.033 0.000 0.346 402 Y C -0.140 175.922 175.900 0.270 0.000 1.023 402 Y CA -0.380 57.872 58.100 0.254 0.000 1.142 402 Y CB 0.350 38.950 38.460 0.233 0.000 1.126 402 Y HN 0.103 nan 8.280 nan 0.000 0.647 403 L N 2.577 123.986 121.223 0.309 0.000 2.598 403 L HA 0.309 4.669 4.340 0.033 0.000 0.241 403 L C -0.339 176.671 176.870 0.232 0.000 1.244 403 L CA -0.103 54.911 54.840 0.291 0.000 1.198 403 L CB -0.106 42.099 42.059 0.243 0.000 1.448 403 L HN 0.398 nan 8.230 nan 0.000 0.406 404 D N -1.527 119.037 120.400 0.273 0.000 2.720 404 D HA 0.144 4.804 4.640 0.033 0.000 0.285 404 D C 0.015 176.484 176.300 0.282 0.000 1.359 404 D CA -0.170 53.973 54.000 0.238 0.000 0.818 404 D CB 0.294 41.243 40.800 0.248 0.000 1.108 404 D HN 0.246 nan 8.370 nan 0.000 0.474 405 H N 0.037 119.193 119.070 0.144 0.000 3.112 405 H HA 0.149 4.725 4.556 0.033 0.000 0.347 405 H C 0.432 175.828 175.328 0.112 0.000 1.188 405 H CA 0.094 56.215 56.048 0.121 0.000 1.240 405 H CB 2.242 32.084 29.762 0.134 0.000 1.920 405 H HN -0.066 nan 8.280 nan 0.000 0.535 406 S N 2.074 117.644 115.700 -0.218 0.000 2.474 406 S HA -0.093 4.397 4.470 0.033 0.000 0.235 406 S C 0.352 175.029 174.600 0.129 0.000 0.997 406 S CA 1.497 59.657 58.200 -0.066 0.000 0.949 406 S CB 0.251 63.360 63.200 -0.151 0.000 0.766 406 S HN 0.536 nan 8.310 nan 0.000 0.517 407 D N 1.059 121.674 120.400 0.357 0.000 3.194 407 D HA 0.350 5.010 4.640 0.033 0.000 0.290 407 D C 0.271 176.798 176.300 0.378 0.000 1.280 407 D CA 0.182 54.420 54.000 0.397 0.000 1.058 407 D CB -0.022 41.013 40.800 0.391 0.000 1.241 407 D HN 0.367 nan 8.370 nan 0.000 0.421 408 I N 3.323 124.117 120.570 0.374 0.000 2.312 408 I HA 0.279 4.468 4.170 0.033 0.000 0.291 408 I C 0.029 176.282 176.117 0.226 0.000 1.031 408 I CA -0.423 60.979 61.300 0.170 0.000 1.293 408 I CB 0.523 38.493 38.000 -0.049 0.000 1.403 408 I HN 0.011 nan 8.210 nan 0.000 0.484 409 I N 2.702 123.428 120.570 0.260 0.000 2.785 409 I HA 1.035 5.225 4.170 0.033 0.000 0.302 409 I C -0.102 176.189 176.117 0.291 0.000 1.069 409 I CA -0.529 60.974 61.300 0.339 0.000 1.045 409 I CB 2.309 40.571 38.000 0.437 0.000 1.236 409 I HN 0.554 nan 8.210 nan 0.000 0.429 410 G N 2.617 111.627 108.800 0.351 0.000 2.687 410 G HA2 0.756 4.735 3.960 0.033 0.000 0.291 410 G HA3 0.756 4.735 3.960 0.033 0.000 0.291 410 G C -2.427 172.751 174.900 0.465 0.000 1.420 410 G CA -0.775 44.378 45.100 0.089 0.000 0.796 410 G HN 1.098 nan 8.290 nan 0.000 0.485 411 W N -1.089 120.339 121.300 0.214 0.000 3.153 411 W HA 0.713 5.394 4.660 0.034 0.000 0.316 411 W C -0.525 176.066 176.519 0.119 0.000 1.255 411 W CA -0.697 56.796 57.345 0.247 0.000 1.192 411 W CB 0.815 30.333 29.460 0.096 0.000 1.400 411 W HN 0.917 nan 8.180 nan 0.000 0.568 412 T N -0.372 114.379 114.554 0.329 0.000 2.906 412 T HA 0.803 5.172 4.350 0.033 0.000 0.295 412 T C -0.979 173.860 174.700 0.231 0.000 1.075 412 T CA -1.173 61.015 62.100 0.146 0.000 1.005 412 T CB 2.160 71.082 68.868 0.090 0.000 1.136 412 T HN 0.641 nan 8.240 nan 0.000 0.498 413 R N 1.386 121.978 120.500 0.153 0.000 2.502 413 R HA 0.363 4.723 4.340 0.033 0.000 0.300 413 R C 0.493 176.888 176.300 0.158 0.000 0.984 413 R CA -0.579 55.611 56.100 0.150 0.000 0.882 413 R CB 1.568 31.945 30.300 0.129 0.000 1.180 413 R HN 0.891 nan 8.270 nan 0.000 0.444 414 E N 1.256 121.573 120.200 0.194 0.000 2.268 414 E HA 0.016 4.386 4.350 0.033 0.000 0.195 414 E C 0.618 177.408 176.600 0.317 0.000 0.995 414 E CA 0.818 57.369 56.400 0.251 0.000 0.836 414 E CB 0.166 30.008 29.700 0.237 0.000 0.763 414 E HN 0.909 nan 8.360 nan 0.000 0.491 415 G N 0.401 109.342 108.800 0.236 0.000 2.712 415 G HA2 -0.169 3.810 3.960 0.033 0.000 0.683 415 G HA3 -0.169 3.810 3.960 0.033 0.000 0.683 415 G C -0.400 174.595 174.900 0.158 0.000 1.320 415 G CA -0.481 44.757 45.100 0.230 0.000 0.847 415 G HN 0.433 nan 8.290 nan 0.000 0.553 416 V N -3.084 116.884 119.914 0.090 0.000 2.876 416 V HA 0.860 5.000 4.120 0.033 0.000 0.312 416 V C 1.470 177.551 176.094 -0.022 0.000 1.085 416 V CA 0.688 63.005 62.300 0.027 0.000 0.945 416 V CB 1.152 32.977 31.823 0.003 0.000 1.017 416 V HN 2.155 nan 8.190 nan 0.000 0.428 417 T N -0.623 113.917 114.554 -0.022 0.000 2.759 417 T HA -0.167 4.202 4.350 0.033 0.000 0.269 417 T C 1.164 175.825 174.700 -0.064 0.000 1.042 417 T CA 1.944 64.023 62.100 -0.036 0.000 1.140 417 T CB -0.454 68.399 68.868 -0.025 0.000 0.864 417 T HN 0.793 nan 8.240 nan 0.000 0.455 418 E N 0.848 120.997 120.200 -0.085 0.000 2.478 418 E HA 0.163 4.533 4.350 0.033 0.000 0.198 418 E C 0.851 177.342 176.600 -0.182 0.000 1.046 418 E CA 0.571 56.902 56.400 -0.115 0.000 0.870 418 E CB 0.013 29.646 29.700 -0.111 0.000 0.818 418 E HN 0.449 nan 8.360 nan 0.000 0.527 419 K N 1.252 121.525 120.400 -0.212 0.000 2.679 419 K HA 0.172 4.512 4.320 0.033 0.000 0.188 419 K C -2.697 173.790 176.600 -0.188 0.000 1.055 419 K CA -2.600 53.504 56.287 -0.305 0.000 1.006 419 K CB 0.777 32.944 32.500 -0.555 0.000 1.317 419 K HN -0.153 nan 8.250 nan 0.000 0.584 420 P HA 0.054 nan 4.420 nan 0.000 0.265 420 P C 0.553 177.821 177.300 -0.054 0.000 1.193 420 P CA 1.061 64.123 63.100 -0.064 0.000 0.765 420 P CB 1.123 32.791 31.700 -0.053 0.000 0.823 421 G N 1.884 110.696 108.800 0.020 0.000 2.217 421 G HA2 -0.248 3.731 3.960 0.033 0.000 0.246 421 G HA3 -0.248 3.731 3.960 0.033 0.000 0.246 421 G C 0.350 175.326 174.900 0.126 0.000 0.990 421 G CA 0.296 45.435 45.100 0.067 0.000 0.627 421 G HN 0.884 nan 8.290 nan 0.000 0.522 422 S N -0.018 115.728 115.700 0.077 0.000 2.600 422 S HA 0.737 5.227 4.470 0.033 0.000 0.265 422 S C 0.562 175.307 174.600 0.242 0.000 1.325 422 S CA 0.719 59.014 58.200 0.160 0.000 1.002 422 S CB 1.999 65.251 63.200 0.088 0.000 0.921 422 S HN 2.361 nan 8.310 nan 0.000 0.554 423 G N 0.058 109.000 108.800 0.237 0.000 2.379 423 G HA2 0.394 4.374 3.960 0.033 0.000 0.609 423 G HA3 0.394 4.374 3.960 0.033 0.000 0.609 423 G C -1.463 173.464 174.900 0.045 0.000 1.484 423 G CA -0.512 44.649 45.100 0.102 0.000 0.921 423 G HN 1.632 nan 8.290 nan 0.000 0.658 424 L N 0.314 121.562 121.223 0.042 0.000 2.794 424 L HA 0.884 5.244 4.340 0.033 0.000 0.261 424 L C -1.137 175.678 176.870 -0.093 0.000 0.989 424 L CA -0.505 54.327 54.840 -0.013 0.000 0.900 424 L CB 1.870 43.929 42.059 0.000 0.000 1.473 424 L HN 2.258 nan 8.230 nan 0.000 0.414 425 A N 2.678 125.356 122.820 -0.236 0.000 2.414 425 A HA 0.909 5.249 4.320 0.033 0.000 0.286 425 A C -0.917 176.385 177.584 -0.470 0.000 1.073 425 A CA 0.140 51.837 52.037 -0.567 0.000 0.727 425 A CB 1.439 19.571 19.000 -1.446 0.000 1.215 425 A HN 1.254 nan 8.150 nan 0.000 0.430 426 A N 2.392 124.827 122.820 -0.643 0.000 2.355 426 A HA 0.907 5.246 4.320 0.033 0.000 0.324 426 A C -0.911 176.208 177.584 -0.775 0.000 1.117 426 A CA -0.478 51.138 52.037 -0.701 0.000 0.785 426 A CB 0.988 19.453 19.000 -0.891 0.000 1.254 426 A HN 0.916 nan 8.150 nan 0.000 0.453 427 L N 2.160 123.119 121.223 -0.440 0.000 2.431 427 L HA 0.686 5.046 4.340 0.033 0.000 0.266 427 L C -0.901 175.882 176.870 -0.145 0.000 0.978 427 L CA -0.579 54.103 54.840 -0.263 0.000 0.822 427 L CB 2.142 44.167 42.059 -0.057 0.000 1.310 427 L HN 0.829 nan 8.230 nan 0.000 0.409 428 I N -0.865 119.685 120.570 -0.033 0.000 2.769 428 I HA 0.803 4.993 4.170 0.033 0.000 0.298 428 I C -0.947 175.241 176.117 0.117 0.000 1.128 428 I CA -0.449 60.877 61.300 0.044 0.000 1.031 428 I CB 2.574 40.630 38.000 0.094 0.000 1.235 428 I HN 0.490 nan 8.210 nan 0.000 0.423 429 T N 1.762 116.392 114.554 0.127 0.000 2.952 429 T HA 0.285 4.655 4.350 0.033 0.000 0.305 429 T C -0.362 174.513 174.700 0.292 0.000 1.064 429 T CA -0.418 61.804 62.100 0.202 0.000 1.008 429 T CB 1.437 70.403 68.868 0.163 0.000 1.078 429 T HN 0.881 nan 8.240 nan 0.000 0.459 430 D N 2.404 123.036 120.400 0.388 0.000 2.328 430 D HA 0.291 4.951 4.640 0.033 0.000 0.221 430 D C 0.847 177.399 176.300 0.420 0.000 1.072 430 D CA -0.144 54.211 54.000 0.592 0.000 0.850 430 D CB 0.238 41.421 40.800 0.638 0.000 0.922 430 D HN 0.651 nan 8.370 nan 0.000 0.516 431 G N 0.267 109.234 108.800 0.277 0.000 3.107 431 G HA2 0.452 4.431 3.960 0.033 0.000 0.233 431 G HA3 0.452 4.431 3.960 0.033 0.000 0.233 431 G C -2.885 172.092 174.900 0.129 0.000 1.168 431 G CA -1.026 44.173 45.100 0.165 0.000 0.801 431 G HN -0.051 nan 8.290 nan 0.000 0.605 432 P HA 0.228 nan 4.420 nan 0.000 0.268 432 P C 0.496 177.843 177.300 0.078 0.000 1.208 432 P CA 0.345 63.489 63.100 0.075 0.000 0.777 432 P CB 0.782 32.521 31.700 0.064 0.000 0.875 433 G N -0.036 108.798 108.800 0.058 0.000 2.553 433 G HA2 0.554 4.534 3.960 0.033 0.000 0.278 433 G HA3 0.554 4.534 3.960 0.033 0.000 0.278 433 G C 0.122 175.034 174.900 0.020 0.000 1.349 433 G CA 0.008 45.136 45.100 0.047 0.000 1.037 433 G HN 0.811 nan 8.290 nan 0.000 0.508 434 G N -1.770 107.032 108.800 0.005 0.000 2.399 434 G HA2 0.589 4.568 3.960 0.033 0.000 0.256 434 G HA3 0.589 4.568 3.960 0.033 0.000 0.256 434 G C -0.572 174.300 174.900 -0.046 0.000 1.236 434 G CA 0.629 45.712 45.100 -0.027 0.000 0.914 434 G HN 1.768 nan 8.290 nan 0.000 0.482 435 S N -1.027 114.623 115.700 -0.083 0.000 2.661 435 S HA 0.869 5.359 4.470 0.033 0.000 0.285 435 S C -1.086 173.440 174.600 -0.124 0.000 1.138 435 S CA -0.545 57.575 58.200 -0.134 0.000 0.855 435 S CB 2.729 65.801 63.200 -0.212 0.000 1.136 435 S HN 1.001 nan 8.310 nan 0.000 0.484 436 K N 0.280 120.581 120.400 -0.164 0.000 2.575 436 K HA 0.254 4.594 4.320 0.033 0.000 0.255 436 K C -2.140 174.402 176.600 -0.098 0.000 0.953 436 K CA -0.406 55.838 56.287 -0.071 0.000 0.840 436 K CB 1.230 33.708 32.500 -0.038 0.000 1.303 436 K HN 0.765 nan 8.250 nan 0.000 0.438 437 W N 5.457 126.747 121.300 -0.016 0.000 2.304 437 W HA 0.330 5.009 4.660 0.033 0.000 0.313 437 W C 0.233 176.838 176.519 0.143 0.000 1.323 437 W CA -0.098 57.289 57.345 0.070 0.000 1.223 437 W CB 0.739 30.246 29.460 0.078 0.000 1.237 437 W HN 0.253 nan 8.180 nan 0.000 0.535 438 M N 3.452 123.273 119.600 0.367 0.000 2.501 438 M HA 0.216 4.715 4.480 0.033 0.000 0.293 438 M C -1.387 174.869 176.300 -0.074 0.000 1.192 438 M CA -1.283 53.952 55.300 -0.108 0.000 0.886 438 M CB 2.391 34.691 32.600 -0.498 0.000 1.710 438 M HN 0.256 nan 8.290 nan 0.000 0.457 439 Y N 2.047 121.924 120.300 -0.704 0.000 2.383 439 Y HA 0.399 4.969 4.550 0.033 0.000 0.344 439 Y C 0.500 176.120 175.900 -0.467 0.000 0.986 439 Y CA -0.350 57.125 58.100 -1.043 0.000 1.175 439 Y CB 0.860 38.365 38.460 -1.591 0.000 1.152 439 Y HN 0.463 nan 8.280 nan 0.000 0.511 440 V N 2.623 122.090 119.914 -0.744 0.000 3.565 440 V HA 0.652 4.791 4.120 0.033 0.000 0.260 440 V C 0.648 176.463 176.094 -0.464 0.000 1.231 440 V CA 0.433 62.463 62.300 -0.451 0.000 1.100 440 V CB -0.420 31.234 31.823 -0.282 0.000 0.807 440 V HN 1.226 nan 8.190 nan 0.000 0.454 441 G N 0.699 108.845 108.800 -1.089 0.000 2.801 441 G HA2 -0.030 3.949 3.960 0.033 0.000 0.648 441 G HA3 -0.030 3.949 3.960 0.033 0.000 0.648 441 G C -0.261 174.491 174.900 -0.248 0.000 1.415 441 G CA -0.042 44.668 45.100 -0.649 0.000 0.887 441 G HN 0.270 nan 8.290 nan 0.000 0.627 442 K N 0.835 121.214 120.400 -0.035 0.000 2.152 442 K HA -0.161 4.178 4.320 0.033 0.000 0.206 442 K C 2.741 179.347 176.600 0.011 0.000 1.048 442 K CA 2.516 58.851 56.287 0.079 0.000 0.933 442 K CB 0.035 32.627 32.500 0.152 0.000 0.721 442 K HN 0.663 nan 8.250 nan 0.000 0.447 443 Q N -0.605 119.148 119.800 -0.079 0.000 2.364 443 Q HA -0.199 4.161 4.340 0.033 0.000 0.209 443 Q C 0.507 176.367 176.000 -0.233 0.000 0.977 443 Q CA 1.447 57.142 55.803 -0.179 0.000 0.885 443 Q CB -0.307 28.264 28.738 -0.280 0.000 0.941 443 Q HN 0.566 nan 8.270 nan 0.000 0.464 444 H N 0.537 119.642 119.070 0.058 0.000 2.529 444 H HA 0.437 5.012 4.556 0.033 0.000 0.277 444 H C 0.328 175.719 175.328 0.104 0.000 1.004 444 H CA 0.241 56.364 56.048 0.125 0.000 1.167 444 H CB 0.247 30.137 29.762 0.212 0.000 1.445 444 H HN 0.308 nan 8.280 nan 0.000 0.554 445 A N 0.752 123.654 122.820 0.137 0.000 2.584 445 A HA 0.296 4.636 4.320 0.033 0.000 0.239 445 A C 1.632 179.283 177.584 0.111 0.000 1.043 445 A CA 1.085 53.188 52.037 0.110 0.000 0.756 445 A CB -0.397 18.656 19.000 0.088 0.000 0.963 445 A HN 0.623 nan 8.150 nan 0.000 0.511 446 G N 1.911 110.770 108.800 0.098 0.000 2.225 446 G HA2 -0.264 3.716 3.960 0.033 0.000 0.254 446 G HA3 -0.264 3.716 3.960 0.033 0.000 0.254 446 G C 0.406 175.380 174.900 0.123 0.000 0.988 446 G CA 0.825 45.980 45.100 0.091 0.000 0.625 446 G HN 0.893 nan 8.290 nan 0.000 0.527 447 K N 0.168 120.683 120.400 0.192 0.000 2.202 447 K HA 0.550 4.889 4.320 0.033 0.000 0.264 447 K C 0.192 176.980 176.600 0.314 0.000 1.010 447 K CA -0.364 56.083 56.287 0.267 0.000 0.940 447 K CB 1.770 34.503 32.500 0.388 0.000 0.983 447 K HN 0.052 nan 8.250 nan 0.000 0.475 448 V N 3.781 123.878 119.914 0.305 0.000 2.435 448 V HA 0.327 4.467 4.120 0.033 0.000 0.290 448 V C -0.642 175.751 176.094 0.499 0.000 1.030 448 V CA -0.640 61.851 62.300 0.319 0.000 0.881 448 V CB 0.513 32.450 31.823 0.189 0.000 0.983 448 V HN 0.473 nan 8.190 nan 0.000 0.445 449 F N 4.482 124.534 119.950 0.170 0.000 2.470 449 F HA 0.738 5.285 4.527 0.033 0.000 0.329 449 F C -0.048 176.028 175.800 0.459 0.000 1.072 449 F CA -1.168 56.992 58.000 0.268 0.000 0.989 449 F CB 1.588 40.769 39.000 0.301 0.000 1.193 449 F HN 0.582 nan 8.300 nan 0.000 0.481 450 Y N -1.332 119.207 120.300 0.399 0.000 2.576 450 Y HA 0.549 5.119 4.550 0.033 0.000 0.346 450 Y C -1.057 174.808 175.900 -0.058 0.000 1.018 450 Y CA -1.936 56.331 58.100 0.278 0.000 1.050 450 Y CB 0.775 39.280 38.460 0.075 0.000 1.280 450 Y HN 0.464 nan 8.280 nan 0.000 0.474 451 D N 2.505 122.610 120.400 -0.491 0.000 2.374 451 D HA 0.043 4.702 4.640 0.033 0.000 0.240 451 D C 0.633 176.626 176.300 -0.512 0.000 1.229 451 D CA -0.006 53.443 54.000 -0.919 0.000 0.895 451 D CB 1.079 41.245 40.800 -1.056 0.000 1.046 451 D HN 0.759 nan 8.370 nan 0.000 0.498 452 L N 4.153 124.994 121.223 -0.636 0.000 2.187 452 L HA -0.147 4.213 4.340 0.033 0.000 0.213 452 L C 2.297 179.041 176.870 -0.209 0.000 1.100 452 L CA 2.217 56.819 54.840 -0.396 0.000 0.765 452 L CB -0.844 40.947 42.059 -0.447 0.000 0.904 452 L HN 0.622 nan 8.230 nan 0.000 0.437 453 T N -4.148 110.249 114.554 -0.263 0.000 2.995 453 T HA 0.128 4.498 4.350 0.033 0.000 0.269 453 T C 1.658 176.280 174.700 -0.131 0.000 1.091 453 T CA 0.789 62.783 62.100 -0.176 0.000 1.128 453 T CB -0.421 68.332 68.868 -0.191 0.000 0.891 453 T HN 0.639 nan 8.240 nan 0.000 0.492 454 G N 1.492 110.207 108.800 -0.143 0.000 2.199 454 G HA2 -0.323 3.657 3.960 0.033 0.000 0.254 454 G HA3 -0.323 3.657 3.960 0.033 0.000 0.254 454 G C 0.955 175.800 174.900 -0.091 0.000 0.982 454 G CA 0.340 45.389 45.100 -0.085 0.000 0.632 454 G HN 0.502 nan 8.290 nan 0.000 0.529 455 N N 0.283 118.907 118.700 -0.127 0.000 2.289 455 N HA -0.013 4.746 4.740 0.033 0.000 0.184 455 N C 1.171 176.635 175.510 -0.076 0.000 1.016 455 N CA 1.057 54.050 53.050 -0.094 0.000 0.872 455 N CB -0.044 38.382 38.487 -0.102 0.000 0.973 455 N HN 0.596 nan 8.380 nan 0.000 0.433 456 R N -0.601 119.827 120.500 -0.119 0.000 2.686 456 R HA 0.254 4.614 4.340 0.033 0.000 0.286 456 R C 0.557 176.846 176.300 -0.019 0.000 0.969 456 R CA -0.247 55.827 56.100 -0.044 0.000 0.898 456 R CB 1.589 31.893 30.300 0.007 0.000 1.183 456 R HN 0.057 nan 8.270 nan 0.000 0.456 457 S N -0.554 115.171 115.700 0.041 0.000 2.517 457 S HA -0.026 4.463 4.470 0.033 0.000 0.214 457 S C 0.516 175.182 174.600 0.110 0.000 0.991 457 S CA -0.241 57.993 58.200 0.056 0.000 0.906 457 S CB -0.134 63.087 63.200 0.035 0.000 0.789 457 S HN 0.676 nan 8.310 nan 0.000 0.513 458 D N 2.363 122.864 120.400 0.168 0.000 2.383 458 D HA 0.376 5.036 4.640 0.033 0.000 0.248 458 D C 0.277 176.782 176.300 0.343 0.000 1.170 458 D CA -0.162 53.955 54.000 0.195 0.000 0.977 458 D CB 0.650 41.537 40.800 0.145 0.000 1.120 458 D HN 0.299 nan 8.370 nan 0.000 0.481 459 T N -3.609 111.084 114.554 0.232 0.000 2.930 459 T HA 0.614 4.984 4.350 0.033 0.000 0.290 459 T C -0.464 174.234 174.700 -0.004 0.000 1.052 459 T CA -0.934 61.330 62.100 0.274 0.000 1.017 459 T CB 1.286 70.278 68.868 0.207 0.000 1.137 459 T HN 0.279 nan 8.240 nan 0.000 0.511 460 V N 1.324 121.187 119.914 -0.086 0.000 2.588 460 V HA 0.567 4.707 4.120 0.033 0.000 0.304 460 V C -0.056 175.904 176.094 -0.223 0.000 1.042 460 V CA -0.730 61.336 62.300 -0.391 0.000 0.877 460 V CB 1.993 33.263 31.823 -0.921 0.000 0.996 460 V HN 1.150 nan 8.190 nan 0.000 0.425 461 T N 5.845 120.257 114.554 -0.237 0.000 2.794 461 T HA 0.529 4.898 4.350 0.033 0.000 0.280 461 T C -0.071 174.516 174.700 -0.188 0.000 0.987 461 T CA -0.338 61.692 62.100 -0.117 0.000 0.993 461 T CB 0.816 69.656 68.868 -0.047 0.000 0.939 461 T HN 0.317 nan 8.240 nan 0.000 0.449 462 I N 4.687 125.177 120.570 -0.134 0.000 2.496 462 I HA 0.149 4.339 4.170 0.033 0.000 0.285 462 I C 0.976 177.100 176.117 0.011 0.000 1.080 462 I CA -0.762 60.467 61.300 -0.118 0.000 1.404 462 I CB -0.266 37.682 38.000 -0.087 0.000 1.403 462 I HN 0.700 nan 8.210 nan 0.000 0.539 463 N N 4.126 122.873 118.700 0.078 0.000 2.327 463 N HA 0.012 4.771 4.740 0.033 0.000 0.257 463 N C 0.902 176.483 175.510 0.119 0.000 1.281 463 N CA -0.041 53.077 53.050 0.113 0.000 0.942 463 N CB 0.059 38.642 38.487 0.161 0.000 1.199 463 N HN 0.532 nan 8.380 nan 0.000 0.532 464 S N -1.956 113.805 115.700 0.101 0.000 2.442 464 S HA -0.128 4.362 4.470 0.033 0.000 0.236 464 S C 0.649 175.332 174.600 0.139 0.000 1.007 464 S CA 0.978 59.237 58.200 0.098 0.000 0.965 464 S CB -0.307 62.934 63.200 0.067 0.000 0.773 464 S HN 0.583 nan 8.310 nan 0.000 0.504 465 D N 1.254 121.773 120.400 0.198 0.000 2.347 465 D HA 0.256 4.916 4.640 0.033 0.000 0.213 465 D C 1.470 178.032 176.300 0.436 0.000 0.985 465 D CA 0.919 55.106 54.000 0.312 0.000 0.879 465 D CB -0.012 40.996 40.800 0.347 0.000 0.919 465 D HN 0.609 nan 8.370 nan 0.000 0.526 466 G N -0.061 108.918 108.800 0.298 0.000 2.134 466 G HA2 -0.220 3.759 3.960 0.033 0.000 0.209 466 G HA3 -0.220 3.759 3.960 0.033 0.000 0.209 466 G C -0.368 174.540 174.900 0.012 0.000 0.993 466 G CA -0.391 44.770 45.100 0.100 0.000 0.669 466 G HN 0.113 nan 8.290 nan 0.000 0.519 467 W N -0.107 121.279 121.300 0.143 0.000 2.570 467 W HA 0.693 5.373 4.660 0.033 0.000 0.337 467 W C 0.535 177.114 176.519 0.101 0.000 1.067 467 W CA 0.184 57.651 57.345 0.204 0.000 1.229 467 W CB 2.142 31.770 29.460 0.281 0.000 1.355 467 W HN 0.582 nan 8.180 nan 0.000 0.555 468 G N 0.731 109.624 108.800 0.155 0.000 2.659 468 G HA2 0.441 4.420 3.960 0.033 0.000 0.296 468 G HA3 0.441 4.420 3.960 0.033 0.000 0.296 468 G C -1.833 172.405 174.900 -1.104 0.000 1.369 468 G CA -0.822 43.883 45.100 -0.659 0.000 0.937 468 G HN 0.394 nan 8.290 nan 0.000 0.485 469 E N 1.432 120.650 120.200 -1.637 0.000 2.042 469 E HA 0.391 4.760 4.350 0.033 0.000 0.260 469 E C -0.747 175.092 176.600 -1.269 0.000 0.975 469 E CA -0.523 54.866 56.400 -1.684 0.000 0.799 469 E CB 0.247 28.730 29.700 -2.030 0.000 1.131 469 E HN 0.246 nan 8.360 nan 0.000 0.423 470 F N 2.628 122.114 119.950 -0.773 0.000 2.382 470 F HA 0.355 4.902 4.527 0.033 0.000 0.331 470 F C 0.793 176.273 175.800 -0.533 0.000 1.121 470 F CA -0.198 57.285 58.000 -0.860 0.000 1.183 470 F CB 0.849 39.373 39.000 -0.794 0.000 1.207 470 F HN 0.177 nan 8.300 nan 0.000 0.555 471 K N 0.621 120.902 120.400 -0.198 0.000 2.400 471 K HA 0.841 5.181 4.320 0.033 0.000 0.246 471 K C -1.664 175.130 176.600 0.322 0.000 0.995 471 K CA -1.186 55.137 56.287 0.060 0.000 0.840 471 K CB 2.942 35.451 32.500 0.015 0.000 1.293 471 K HN 0.399 nan 8.250 nan 0.000 0.445 472 V N 1.305 121.321 119.914 0.170 0.000 2.969 472 V HA 0.320 4.460 4.120 0.033 0.000 0.304 472 V C -1.604 174.540 176.094 0.083 0.000 1.192 472 V CA -0.869 61.513 62.300 0.136 0.000 0.962 472 V CB 2.264 34.143 31.823 0.092 0.000 1.045 472 V HN 0.739 nan 8.190 nan 0.000 0.428 473 N N 2.695 121.434 118.700 0.066 0.000 2.445 473 N HA 0.412 5.172 4.740 0.033 0.000 0.264 473 N C 0.309 175.856 175.510 0.062 0.000 1.227 473 N CA 0.477 53.560 53.050 0.054 0.000 0.963 473 N CB 1.188 39.699 38.487 0.041 0.000 1.188 473 N HN 0.992 nan 8.380 nan 0.000 0.491 474 G N -1.362 107.474 108.800 0.060 0.000 2.380 474 G HA2 0.356 4.336 3.960 0.033 0.000 0.242 474 G HA3 0.356 4.336 3.960 0.033 0.000 0.242 474 G C 0.858 175.820 174.900 0.104 0.000 1.298 474 G CA 0.086 45.230 45.100 0.075 0.000 0.878 474 G HN 0.784 nan 8.290 nan 0.000 0.542 475 G N 0.052 108.950 108.800 0.164 0.000 2.390 475 G HA2 -0.048 3.932 3.960 0.033 0.000 0.299 475 G HA3 -0.048 3.932 3.960 0.033 0.000 0.299 475 G C 0.460 175.510 174.900 0.250 0.000 1.002 475 G CA 1.037 46.314 45.100 0.295 0.000 0.979 475 G HN 1.279 nan 8.290 nan 0.000 0.513 476 S N -2.419 113.366 115.700 0.143 0.000 2.840 476 S HA 0.835 5.325 4.470 0.033 0.000 0.307 476 S C -0.755 173.850 174.600 0.008 0.000 1.180 476 S CA 0.152 58.391 58.200 0.064 0.000 0.846 476 S CB 2.263 65.490 63.200 0.045 0.000 1.233 476 S HN 1.605 nan 8.310 nan 0.000 0.548 477 V N 1.037 120.929 119.914 -0.036 0.000 2.888 477 V HA 0.855 4.995 4.120 0.033 0.000 0.309 477 V C -1.486 174.534 176.094 -0.123 0.000 1.114 477 V CA -0.097 62.159 62.300 -0.073 0.000 0.940 477 V CB 1.931 33.702 31.823 -0.086 0.000 1.021 477 V HN 0.816 nan 8.190 nan 0.000 0.426 478 S N 4.225 119.826 115.700 -0.164 0.000 2.571 478 S HA 0.710 5.200 4.470 0.033 0.000 0.284 478 S C -1.056 173.290 174.600 -0.425 0.000 1.128 478 S CA -0.498 57.497 58.200 -0.342 0.000 0.970 478 S CB 1.845 64.867 63.200 -0.296 0.000 1.039 478 S HN 0.776 nan 8.310 nan 0.000 0.485 479 V N 3.403 122.989 119.914 -0.545 0.000 2.326 479 V HA 0.379 4.519 4.120 0.033 0.000 0.281 479 V C -1.202 174.549 176.094 -0.571 0.000 1.015 479 V CA -0.687 61.353 62.300 -0.434 0.000 0.823 479 V CB 0.417 32.067 31.823 -0.289 0.000 1.009 479 V HN 0.880 nan 8.190 nan 0.000 0.436 480 W N 4.962 126.089 121.300 -0.288 0.000 2.322 480 W HA 0.640 5.320 4.660 0.033 0.000 0.307 480 W C 0.024 176.379 176.519 -0.273 0.000 1.220 480 W CA -0.637 56.587 57.345 -0.201 0.000 1.210 480 W CB 1.422 30.909 29.460 0.045 0.000 1.223 480 W HN 0.497 nan 8.180 nan 0.000 0.511 481 V N 1.718 121.366 119.914 -0.444 0.000 2.962 481 V HA 0.695 4.835 4.120 0.033 0.000 0.313 481 V C -2.473 172.975 176.094 -1.077 0.000 1.099 481 V CA -3.503 58.263 62.300 -0.889 0.000 0.971 481 V CB 1.990 32.979 31.823 -1.390 0.000 1.028 481 V HN 0.324 nan 8.190 nan 0.000 0.430 482 P HA 0.241 nan 4.420 nan 0.000 0.271 482 P C -0.265 176.941 177.300 -0.156 0.000 1.216 482 P CA -0.102 62.462 63.100 -0.895 0.000 0.776 482 P CB 0.790 32.090 31.700 -0.667 0.000 0.881 483 R N 0.000 120.537 120.500 0.062 0.000 2.786 483 R HA 0.000 4.360 4.340 0.033 0.000 0.208 483 R CA 0.000 56.189 56.100 0.148 0.000 0.921 483 R CB 0.000 30.354 30.300 0.090 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535