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 3l09_1_C DATA FIRST_RESID 3 DATA SEQUENCE DASDPIRPLV EALNAEAPLK LWSVLVTCLG DVSRDGVIEV SGVALSSFVE DATA SEQUENCE RXGLQPQAXR VALHRLKRDG WVESRRLGRV GFHRLSDSAL TQTRAVAGRI DATA SEQUENCE YGPGAGPAPW HLAGXPPDAP DGLSLLPDTL SATPISRRFA LICGPLEDVP DATA SEQUENCE EDWLLTAPSG RGLPVWVQDV VVEAGCEAEF KALERTLAQI DKVPDTRLER DATA SEQUENCE FTLRVLVLHA WRRLILRSSP AAEAALGGAR AEISCRARVH QLLDQLGSVE DATA SEQUENCE PDW 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.293 176.300 -0.011 0.000 2.045 3 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 3 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 4 A N 0.150 122.964 122.820 -0.009 0.000 2.016 4 A HA 0.371 4.692 4.320 0.001 0.000 0.217 4 A C 2.238 179.817 177.584 -0.007 0.000 1.162 4 A CA 2.443 54.475 52.037 -0.008 0.000 0.662 4 A CB -0.179 18.817 19.000 -0.007 0.000 0.812 4 A HN 0.548 nan 8.150 nan 0.000 0.450 5 S N -0.026 115.670 115.700 -0.007 0.000 2.603 5 S HA 0.012 4.483 4.470 0.001 0.000 0.220 5 S C 0.429 175.025 174.600 -0.006 0.000 0.967 5 S CA -0.075 58.122 58.200 -0.006 0.000 0.920 5 S CB -0.543 62.654 63.200 -0.005 0.000 0.773 5 S HN 0.637 nan 8.310 nan 0.000 0.529 6 D N 2.241 122.636 120.400 -0.009 0.000 2.520 6 D HA 0.014 4.654 4.640 0.001 0.000 0.243 6 D C -1.460 174.835 176.300 -0.007 0.000 1.160 6 D CA -1.138 52.856 54.000 -0.010 0.000 0.877 6 D CB 1.101 41.892 40.800 -0.014 0.000 1.150 6 D HN 0.137 nan 8.370 nan 0.000 0.494 7 P HA 0.115 nan 4.420 nan 0.000 0.245 7 P C 1.250 178.550 177.300 0.000 0.000 1.203 7 P CA 0.193 63.293 63.100 -0.000 0.000 0.792 7 P CB 0.342 32.044 31.700 0.005 0.000 0.997 8 I N 0.169 120.737 120.570 -0.003 0.000 2.141 8 I HA -0.168 4.003 4.170 0.001 0.000 0.236 8 I C 2.750 178.857 176.117 -0.016 0.000 1.071 8 I CA 1.187 62.483 61.300 -0.007 0.000 1.345 8 I CB -0.606 37.387 38.000 -0.011 0.000 1.066 8 I HN -0.206 nan 8.210 nan 0.000 0.406 9 R N 1.627 122.114 120.500 -0.022 0.000 2.115 9 R HA -0.184 4.156 4.340 0.001 0.000 0.239 9 R C -0.657 175.632 176.300 -0.018 0.000 1.133 9 R CA 2.306 58.391 56.100 -0.025 0.000 0.935 9 R CB -1.869 28.417 30.300 -0.024 0.000 0.853 9 R HN 0.255 nan 8.270 nan 0.000 0.433 10 P HA -0.144 nan 4.420 nan 0.000 0.217 10 P C 1.394 178.690 177.300 -0.006 0.000 1.150 10 P CA 0.920 64.014 63.100 -0.009 0.000 0.832 10 P CB -0.130 31.566 31.700 -0.007 0.000 0.787 11 L N 0.176 121.397 121.223 -0.003 0.000 2.046 11 L HA -0.113 4.228 4.340 0.001 0.000 0.208 11 L C 2.444 179.315 176.870 0.001 0.000 1.077 11 L CA 1.686 56.528 54.840 0.003 0.000 0.747 11 L CB -1.371 40.694 42.059 0.011 0.000 0.896 11 L HN -0.237 nan 8.230 nan 0.000 0.432 12 V N -0.008 119.900 119.914 -0.010 0.000 2.255 12 V HA -0.337 3.784 4.120 0.001 0.000 0.247 12 V C 2.520 178.603 176.094 -0.019 0.000 1.051 12 V CA 2.222 64.510 62.300 -0.020 0.000 1.018 12 V CB -0.755 31.044 31.823 -0.040 0.000 0.641 12 V HN 0.514 nan 8.190 nan 0.000 0.445 13 E N 0.232 120.421 120.200 -0.018 0.000 2.085 13 E HA -0.239 4.112 4.350 0.001 0.000 0.194 13 E C 2.286 178.879 176.600 -0.012 0.000 0.994 13 E CA 1.421 57.811 56.400 -0.016 0.000 0.801 13 E CB -0.374 29.317 29.700 -0.015 0.000 0.743 13 E HN 0.624 nan 8.360 nan 0.000 0.453 14 A N 1.041 123.857 122.820 -0.007 0.000 1.898 14 A HA -0.133 4.187 4.320 0.001 0.000 0.216 14 A C 2.195 179.778 177.584 -0.003 0.000 1.181 14 A CA 0.987 53.022 52.037 -0.003 0.000 0.620 14 A CB -0.555 18.446 19.000 0.001 0.000 0.819 14 A HN 0.114 nan 8.150 nan 0.000 0.442 15 L N -0.363 120.860 121.223 0.000 0.000 2.027 15 L HA -0.176 4.164 4.340 0.001 0.000 0.206 15 L C 2.309 179.175 176.870 -0.007 0.000 1.074 15 L CA 1.161 56.002 54.840 0.003 0.000 0.745 15 L CB -0.653 41.418 42.059 0.019 0.000 0.898 15 L HN 0.355 nan 8.230 nan 0.000 0.433 16 N N 0.304 118.997 118.700 -0.013 0.000 2.223 16 N HA -0.154 4.587 4.740 0.001 0.000 0.185 16 N C 1.836 177.335 175.510 -0.018 0.000 1.016 16 N CA 1.484 54.522 53.050 -0.019 0.000 0.863 16 N CB -0.173 38.300 38.487 -0.023 0.000 0.983 16 N HN 0.323 nan 8.380 nan 0.000 0.429 17 A N 1.655 124.466 122.820 -0.015 0.000 1.902 17 A HA -0.188 4.133 4.320 0.001 0.000 0.217 17 A C 2.114 179.688 177.584 -0.016 0.000 1.181 17 A CA 1.723 53.751 52.037 -0.014 0.000 0.623 17 A CB -0.460 18.534 19.000 -0.011 0.000 0.818 17 A HN 0.615 nan 8.150 nan 0.000 0.443 18 E N -0.731 119.458 120.200 -0.018 0.000 2.076 18 E HA 0.299 4.650 4.350 0.001 0.000 0.190 18 E C 0.516 177.097 176.600 -0.032 0.000 0.979 18 E CA 0.800 57.185 56.400 -0.025 0.000 0.807 18 E CB -0.098 29.586 29.700 -0.027 0.000 0.761 18 E HN 0.554 nan 8.360 nan 0.000 0.454 19 A N 1.723 124.525 122.820 -0.031 0.000 2.500 19 A HA 0.349 4.669 4.320 0.001 0.000 0.288 19 A C -2.842 174.724 177.584 -0.031 0.000 1.045 19 A CA -1.464 50.552 52.037 -0.035 0.000 0.830 19 A CB 1.027 19.997 19.000 -0.051 0.000 1.337 19 A HN -0.018 nan 8.150 nan 0.000 0.400 20 P HA 0.125 nan 4.420 nan 0.000 0.264 20 P C -0.427 176.847 177.300 -0.044 0.000 1.183 20 P CA 0.441 63.523 63.100 -0.031 0.000 0.763 20 P CB 0.461 32.147 31.700 -0.023 0.000 0.807 21 L N 4.006 125.199 121.223 -0.050 0.000 2.361 21 L HA 0.152 4.493 4.340 0.001 0.000 0.278 21 L C 1.120 177.903 176.870 -0.144 0.000 1.113 21 L CA -0.019 54.775 54.840 -0.077 0.000 0.849 21 L CB -0.047 41.965 42.059 -0.077 0.000 1.155 21 L HN 0.198 nan 8.230 nan 0.000 0.452 22 K N 3.382 123.634 120.400 -0.246 0.000 2.262 22 K HA 0.107 4.428 4.320 0.001 0.000 0.282 22 K C 0.743 177.041 176.600 -0.504 0.000 1.066 22 K CA -0.542 55.511 56.287 -0.389 0.000 0.901 22 K CB 1.508 33.623 32.500 -0.641 0.000 1.089 22 K HN 0.391 nan 8.250 nan 0.000 0.476 23 L N 5.225 126.286 121.223 -0.271 0.000 2.043 23 L HA -0.193 4.147 4.340 0.001 0.000 0.212 23 L C 1.906 178.675 176.870 -0.169 0.000 1.075 23 L CA 1.718 56.445 54.840 -0.188 0.000 0.752 23 L CB -0.444 41.578 42.059 -0.062 0.000 0.891 23 L HN 0.880 nan 8.230 nan 0.000 0.432 24 W N -1.907 119.347 121.300 -0.075 0.000 2.342 24 W HA -0.215 4.446 4.660 0.002 0.000 0.297 24 W C 2.131 178.575 176.519 -0.126 0.000 1.213 24 W CA 1.012 58.304 57.345 -0.089 0.000 1.251 24 W CB -1.581 27.818 29.460 -0.101 0.000 1.136 24 W HN 0.288 nan 8.180 nan 0.000 0.526 25 S N 1.176 116.341 115.700 -0.890 0.000 2.371 25 S HA -0.106 4.364 4.470 0.001 0.000 0.224 25 S C 1.975 176.329 174.600 -0.410 0.000 1.029 25 S CA 1.561 59.336 58.200 -0.709 0.000 0.978 25 S CB -0.478 62.137 63.200 -0.975 0.000 0.833 25 S HN 0.103 nan 8.310 nan 0.000 0.466 26 V N 2.410 121.932 119.914 -0.654 0.000 2.332 26 V HA -0.181 3.940 4.120 0.001 0.000 0.248 26 V C 2.303 178.322 176.094 -0.125 0.000 1.055 26 V CA 1.703 63.631 62.300 -0.620 0.000 1.038 26 V CB -0.703 30.845 31.823 -0.459 0.000 0.651 26 V HN 0.472 nan 8.190 nan 0.000 0.450 27 L N -0.552 120.659 121.223 -0.021 0.000 2.046 27 L HA -0.139 4.202 4.340 0.001 0.000 0.208 27 L C 2.482 179.411 176.870 0.098 0.000 1.077 27 L CA 1.095 55.997 54.840 0.102 0.000 0.747 27 L CB -0.621 41.512 42.059 0.124 0.000 0.896 27 L HN 0.216 nan 8.230 nan 0.000 0.432 28 V N -0.512 119.449 119.914 0.078 0.000 2.407 28 V HA -0.272 3.848 4.120 0.001 0.000 0.248 28 V C 2.548 178.724 176.094 0.136 0.000 1.055 28 V CA 2.269 64.646 62.300 0.127 0.000 1.049 28 V CB -0.698 31.166 31.823 0.068 0.000 0.662 28 V HN 0.481 nan 8.190 nan 0.000 0.455 29 T N -1.225 113.395 114.554 0.110 0.000 2.674 29 T HA -0.256 4.094 4.350 0.001 0.000 0.265 29 T C 1.984 176.740 174.700 0.093 0.000 1.039 29 T CA 1.817 64.002 62.100 0.141 0.000 1.150 29 T CB -0.588 68.415 68.868 0.225 0.000 0.864 29 T HN 0.627 nan 8.240 nan 0.000 0.427 30 C N 1.308 120.626 119.300 0.030 0.000 2.413 30 C HA -0.050 4.411 4.460 0.001 0.000 0.278 30 C C 2.648 177.669 174.990 0.051 0.000 1.224 30 C CA 0.766 59.751 59.018 -0.055 0.000 1.732 30 C CB -1.512 26.137 27.740 -0.153 0.000 2.050 30 C HN 0.561 nan 8.230 nan 0.000 0.463 31 L N 0.982 122.268 121.223 0.104 0.000 2.046 31 L HA 0.008 4.349 4.340 0.001 0.000 0.208 31 L C 2.908 179.859 176.870 0.134 0.000 1.077 31 L CA 1.805 56.725 54.840 0.134 0.000 0.747 31 L CB -1.120 41.037 42.059 0.162 0.000 0.896 31 L HN 0.613 nan 8.230 nan 0.000 0.432 32 G N -0.463 108.429 108.800 0.153 0.000 2.418 32 G HA2 -0.335 3.625 3.960 0.001 0.000 0.217 32 G HA3 -0.335 3.625 3.960 0.001 0.000 0.217 32 G C 1.211 176.205 174.900 0.157 0.000 1.158 32 G CA 1.112 46.312 45.100 0.167 0.000 0.771 32 G HN 0.368 nan 8.290 nan 0.000 0.545 33 D N 0.023 120.522 120.400 0.165 0.000 2.117 33 D HA -0.132 4.509 4.640 0.001 0.000 0.198 33 D C 2.836 179.186 176.300 0.083 0.000 0.982 33 D CA 1.656 55.754 54.000 0.163 0.000 0.828 33 D CB -0.124 40.770 40.800 0.156 0.000 0.967 33 D HN 0.253 nan 8.370 nan 0.000 0.464 34 V N -1.890 118.079 119.914 0.092 0.000 2.427 34 V HA -0.108 4.013 4.120 0.001 0.000 0.248 34 V C 2.141 178.265 176.094 0.049 0.000 1.051 34 V CA 1.877 64.230 62.300 0.089 0.000 1.048 34 V CB -0.741 31.159 31.823 0.128 0.000 0.666 34 V HN 0.043 nan 8.190 nan 0.000 0.456 35 S N 0.467 116.199 115.700 0.054 0.000 2.423 35 S HA -0.118 4.352 4.470 0.001 0.000 0.231 35 S C 2.009 176.613 174.600 0.006 0.000 1.014 35 S CA 1.733 59.955 58.200 0.036 0.000 0.965 35 S CB -0.505 62.730 63.200 0.057 0.000 0.785 35 S HN 0.798 nan 8.310 nan 0.000 0.495 36 R N 1.988 122.480 120.500 -0.013 0.000 2.081 36 R HA -0.137 4.204 4.340 0.001 0.000 0.235 36 R C 0.473 176.724 176.300 -0.083 0.000 1.131 36 R CA 2.064 58.115 56.100 -0.081 0.000 0.960 36 R CB -0.285 29.901 30.300 -0.191 0.000 0.856 36 R HN 0.441 nan 8.270 nan 0.000 0.436 37 D N -2.018 118.349 120.400 -0.055 0.000 2.427 37 D HA 0.261 4.902 4.640 0.001 0.000 0.224 37 D C 0.798 177.084 176.300 -0.023 0.000 1.157 37 D CA 0.342 54.317 54.000 -0.042 0.000 0.828 37 D CB 1.167 41.946 40.800 -0.035 0.000 0.974 37 D HN 0.434 nan 8.370 nan 0.000 0.498 38 G N -0.302 108.486 108.800 -0.021 0.000 2.313 38 G HA2 -0.281 3.680 3.960 0.001 0.000 0.215 38 G HA3 -0.281 3.680 3.960 0.001 0.000 0.215 38 G C 0.329 175.217 174.900 -0.020 0.000 1.023 38 G CA -0.150 44.937 45.100 -0.021 0.000 0.626 38 G HN 0.320 nan 8.290 nan 0.000 0.503 39 V N 4.632 124.539 119.914 -0.011 0.000 2.359 39 V HA 0.151 4.272 4.120 0.001 0.000 0.248 39 V C 2.052 178.147 176.094 0.001 0.000 1.091 39 V CA 0.196 62.488 62.300 -0.014 0.000 1.103 39 V CB 0.083 31.899 31.823 -0.010 0.000 1.176 39 V HN 0.372 nan 8.190 nan 0.000 0.488 40 I N 3.123 123.685 120.570 -0.013 0.000 2.315 40 I HA -0.045 4.125 4.170 0.001 0.000 0.248 40 I C 1.139 177.269 176.117 0.021 0.000 1.117 40 I CA 1.130 62.429 61.300 -0.001 0.000 1.404 40 I CB -0.578 37.409 38.000 -0.021 0.000 1.071 40 I HN 0.785 nan 8.210 nan 0.000 0.419 41 E N 0.559 120.768 120.200 0.015 0.000 2.331 41 E HA 0.583 4.934 4.350 0.001 0.000 0.275 41 E C -1.431 175.236 176.600 0.112 0.000 0.895 41 E CA -0.682 55.761 56.400 0.071 0.000 0.753 41 E CB 2.632 32.372 29.700 0.068 0.000 1.216 41 E HN -0.166 nan 8.360 nan 0.000 0.434 42 V N 1.951 121.965 119.914 0.167 0.000 2.483 42 V HA 0.319 4.439 4.120 0.001 0.000 0.295 42 V C 0.394 176.616 176.094 0.213 0.000 1.035 42 V CA -0.657 61.728 62.300 0.142 0.000 0.896 42 V CB 1.489 33.369 31.823 0.095 0.000 0.986 42 V HN 0.853 nan 8.190 nan 0.000 0.447 43 S N 3.345 119.118 115.700 0.121 0.000 2.579 43 S HA 0.235 4.706 4.470 0.001 0.000 0.275 43 S C 1.469 176.056 174.600 -0.021 0.000 1.345 43 S CA 0.144 58.244 58.200 -0.166 0.000 1.031 43 S CB 1.278 64.342 63.200 -0.228 0.000 0.892 43 S HN 1.088 nan 8.310 nan 0.000 0.529 44 G N 0.813 109.589 108.800 -0.039 0.000 2.432 44 G HA2 -0.155 3.806 3.960 0.001 0.000 0.219 44 G HA3 -0.155 3.806 3.960 0.001 0.000 0.219 44 G C 1.261 176.204 174.900 0.072 0.000 1.135 44 G CA 0.721 45.910 45.100 0.148 0.000 0.767 44 G HN 0.780 nan 8.290 nan 0.000 0.550 45 V N 0.928 120.849 119.914 0.013 0.000 2.453 45 V HA 0.122 4.242 4.120 0.001 0.000 0.247 45 V C 3.080 179.245 176.094 0.118 0.000 1.048 45 V CA 2.217 64.546 62.300 0.048 0.000 1.049 45 V CB -0.333 31.501 31.823 0.018 0.000 0.672 45 V HN 0.409 nan 8.190 nan 0.000 0.457 46 A N -0.496 122.371 122.820 0.079 0.000 1.930 46 A HA -0.106 4.215 4.320 0.001 0.000 0.217 46 A C 2.063 179.803 177.584 0.260 0.000 1.175 46 A CA 1.846 53.944 52.037 0.102 0.000 0.627 46 A CB -0.602 18.241 19.000 -0.262 0.000 0.815 46 A HN 0.497 nan 8.150 nan 0.000 0.443 47 L N -0.437 120.901 121.223 0.191 0.000 2.093 47 L HA -0.056 4.285 4.340 0.001 0.000 0.208 47 L C 2.689 179.740 176.870 0.302 0.000 1.085 47 L CA 2.198 57.201 54.840 0.272 0.000 0.755 47 L CB -0.684 41.491 42.059 0.194 0.000 0.904 47 L HN 0.365 nan 8.230 nan 0.000 0.435 48 S N -1.351 114.466 115.700 0.194 0.000 2.383 48 S HA -0.157 4.314 4.470 0.001 0.000 0.227 48 S C 2.231 176.913 174.600 0.138 0.000 1.026 48 S CA 1.438 59.719 58.200 0.134 0.000 0.981 48 S CB -0.286 62.967 63.200 0.088 0.000 0.818 48 S HN 0.735 nan 8.310 nan 0.000 0.472 49 S N 0.402 116.221 115.700 0.198 0.000 2.406 49 S HA -0.066 4.405 4.470 0.001 0.000 0.228 49 S C 1.666 176.350 174.600 0.140 0.000 1.020 49 S CA 0.894 59.177 58.200 0.138 0.000 0.965 49 S CB -0.824 62.463 63.200 0.145 0.000 0.798 49 S HN 0.612 nan 8.310 nan 0.000 0.488 50 F N 3.060 123.099 119.950 0.150 0.000 2.113 50 F HA 0.032 4.560 4.527 0.001 0.000 0.297 50 F C 2.129 177.997 175.800 0.113 0.000 1.103 50 F CA 1.140 59.256 58.000 0.193 0.000 1.248 50 F CB -0.752 38.489 39.000 0.400 0.000 0.999 50 F HN 0.067 nan 8.300 nan 0.000 0.475 51 V N 0.791 120.614 119.914 -0.152 0.000 2.407 51 V HA -0.289 3.831 4.120 0.001 0.000 0.248 51 V C 2.344 178.323 176.094 -0.191 0.000 1.055 51 V CA 2.336 64.477 62.300 -0.265 0.000 1.049 51 V CB -0.746 31.035 31.823 -0.069 0.000 0.662 51 V HN 0.389 nan 8.190 nan 0.000 0.455 52 E N -0.440 119.704 120.200 -0.093 0.000 2.072 52 E HA -0.142 4.209 4.350 0.001 0.000 0.191 52 E C 1.576 178.119 176.600 -0.095 0.000 0.985 52 E CA 0.334 56.690 56.400 -0.073 0.000 0.801 52 E CB 0.015 29.695 29.700 -0.032 0.000 0.750 52 E HN 0.307 nan 8.360 nan 0.000 0.452 56 L N 0.453 121.619 121.223 -0.097 0.000 2.365 56 L HA 0.645 4.986 4.340 0.001 0.000 0.267 56 L C 0.176 177.011 176.870 -0.058 0.000 1.033 56 L CA -1.188 53.605 54.840 -0.079 0.000 0.802 56 L CB 1.007 43.006 42.059 -0.099 0.000 1.267 56 L HN -0.118 nan 8.230 nan 0.000 0.457 57 Q N 0.882 120.657 119.800 -0.041 0.000 2.259 57 Q HA 0.235 4.576 4.340 0.001 0.000 0.246 57 Q C -1.757 174.232 176.000 -0.018 0.000 0.920 57 Q CA -1.859 53.928 55.803 -0.025 0.000 0.895 57 Q CB 1.310 30.037 28.738 -0.018 0.000 1.220 57 Q HN 0.266 nan 8.270 nan 0.000 0.439 58 P HA -0.153 nan 4.420 nan 0.000 0.223 58 P C 1.017 178.320 177.300 0.005 0.000 1.151 58 P CA 0.947 64.049 63.100 0.003 0.000 0.787 58 P CB 0.461 32.167 31.700 0.010 0.000 0.788 59 Q N 1.011 120.812 119.800 0.001 0.000 2.084 59 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 59 Q C 1.024 177.027 176.000 0.006 0.000 0.978 59 Q CA 1.238 57.043 55.803 0.002 0.000 0.844 59 Q CB -1.263 27.474 28.738 -0.002 0.000 0.898 59 Q HN 0.144 nan 8.270 nan 0.000 0.426 63 V N -0.303 119.642 119.914 0.052 0.000 2.490 63 V HA 0.023 4.143 4.120 0.001 0.000 0.250 63 V C 2.014 178.171 176.094 0.106 0.000 1.061 63 V CA 2.179 64.519 62.300 0.066 0.000 1.064 63 V CB -0.653 31.189 31.823 0.032 0.000 0.670 63 V HN 0.338 nan 8.190 nan 0.000 0.461 64 A N 0.605 123.486 122.820 0.101 0.000 1.897 64 A HA 0.076 4.397 4.320 0.001 0.000 0.215 64 A C 2.221 179.875 177.584 0.116 0.000 1.181 64 A CA 1.864 53.983 52.037 0.137 0.000 0.620 64 A CB -0.619 18.462 19.000 0.134 0.000 0.821 64 A HN 0.565 nan 8.150 nan 0.000 0.443 65 L N -1.342 119.926 121.223 0.075 0.000 2.141 65 L HA -0.165 4.175 4.340 0.001 0.000 0.209 65 L C 2.687 179.603 176.870 0.076 0.000 1.094 65 L CA 1.366 56.232 54.840 0.044 0.000 0.763 65 L CB -0.580 41.440 42.059 -0.066 0.000 0.908 65 L HN 0.585 nan 8.230 nan 0.000 0.437 66 H N 0.580 119.667 119.070 0.028 0.000 2.326 66 H HA -0.159 4.398 4.556 0.001 0.000 0.301 66 H C 2.410 177.751 175.328 0.022 0.000 1.081 66 H CA 1.626 57.691 56.048 0.029 0.000 1.334 66 H CB 0.178 29.952 29.762 0.020 0.000 1.385 66 H HN 0.200 nan 8.280 nan 0.000 0.504 67 R N 0.566 121.134 120.500 0.113 0.000 2.080 67 R HA -0.123 4.218 4.340 0.001 0.000 0.236 67 R C 2.705 178.978 176.300 -0.044 0.000 1.137 67 R CA 1.584 57.690 56.100 0.011 0.000 0.943 67 R CB -0.350 29.919 30.300 -0.052 0.000 0.846 67 R HN 0.329 nan 8.270 nan 0.000 0.431 68 L N 0.557 121.786 121.223 0.009 0.000 2.131 68 L HA -0.171 4.170 4.340 0.001 0.000 0.210 68 L C 2.560 179.499 176.870 0.114 0.000 1.092 68 L CA 1.401 56.298 54.840 0.094 0.000 0.759 68 L CB -0.318 41.832 42.059 0.152 0.000 0.903 68 L HN 0.216 nan 8.230 nan 0.000 0.435 69 K N 0.494 120.906 120.400 0.019 0.000 1.973 69 K HA -0.189 4.132 4.320 0.001 0.000 0.210 69 K C 2.187 178.758 176.600 -0.047 0.000 1.045 69 K CA 1.798 58.078 56.287 -0.013 0.000 0.937 69 K CB -0.181 32.271 32.500 -0.080 0.000 0.721 69 K HN 0.312 nan 8.250 nan 0.000 0.438 70 R N 0.947 121.362 120.500 -0.142 0.000 2.127 70 R HA -0.123 4.217 4.340 0.001 0.000 0.238 70 R C 0.855 177.139 176.300 -0.028 0.000 1.134 70 R CA 2.009 58.044 56.100 -0.107 0.000 0.975 70 R CB -0.374 29.837 30.300 -0.148 0.000 0.865 70 R HN 0.083 nan 8.270 nan 0.000 0.447 71 D N 0.229 120.643 120.400 0.022 0.000 2.336 71 D HA 0.111 4.752 4.640 0.001 0.000 0.229 71 D C 0.772 177.132 176.300 0.100 0.000 1.061 71 D CA 1.008 55.066 54.000 0.096 0.000 0.875 71 D CB 0.403 41.302 40.800 0.165 0.000 0.904 71 D HN 0.561 nan 8.370 nan 0.000 0.525 72 G N 0.207 109.033 108.800 0.043 0.000 2.249 72 G HA2 -0.302 3.659 3.960 0.001 0.000 0.273 72 G HA3 -0.302 3.659 3.960 0.001 0.000 0.273 72 G C 0.677 175.525 174.900 -0.088 0.000 1.036 72 G CA 0.338 45.416 45.100 -0.035 0.000 0.824 72 G HN 0.361 nan 8.290 nan 0.000 0.504 73 W N -1.548 119.758 121.300 0.009 0.000 2.683 73 W HA 0.569 5.229 4.660 0.001 0.000 0.267 73 W C 1.291 177.847 176.519 0.062 0.000 1.243 73 W CA 0.685 58.057 57.345 0.044 0.000 1.380 73 W CB 0.552 30.050 29.460 0.063 0.000 1.063 73 W HN 0.279 nan 8.180 nan 0.000 0.599 74 V N 0.772 120.849 119.914 0.271 0.000 2.864 74 V HA 0.394 4.515 4.120 0.001 0.000 0.314 74 V C -0.848 175.331 176.094 0.142 0.000 1.073 74 V CA -0.851 61.573 62.300 0.207 0.000 0.956 74 V CB 2.118 34.071 31.823 0.217 0.000 1.023 74 V HN -0.172 nan 8.190 nan 0.000 0.435 75 E N 2.127 122.409 120.200 0.137 0.000 2.238 75 E HA 0.667 5.018 4.350 0.001 0.000 0.267 75 E C -1.401 175.277 176.600 0.129 0.000 0.887 75 E CA -0.505 55.957 56.400 0.103 0.000 0.769 75 E CB 2.253 31.992 29.700 0.066 0.000 1.187 75 E HN 0.616 nan 8.360 nan 0.000 0.416 76 S N 1.492 117.253 115.700 0.102 0.000 2.557 76 S HA 0.440 4.911 4.470 0.001 0.000 0.291 76 S C -0.910 173.707 174.600 0.028 0.000 1.116 76 S CA -0.881 57.362 58.200 0.071 0.000 0.992 76 S CB 1.224 64.518 63.200 0.156 0.000 1.028 76 S HN 0.521 nan 8.310 nan 0.000 0.484 77 R N 1.843 122.346 120.500 0.006 0.000 2.711 77 R HA 0.645 4.985 4.340 0.001 0.000 0.284 77 R C -0.864 175.468 176.300 0.053 0.000 0.968 77 R CA -0.945 55.181 56.100 0.043 0.000 0.924 77 R CB 1.422 31.758 30.300 0.059 0.000 1.162 77 R HN 0.516 nan 8.270 nan 0.000 0.465 78 R N 2.951 123.484 120.500 0.055 0.000 2.337 78 R HA 0.430 4.770 4.340 0.001 0.000 0.319 78 R C -1.316 175.033 176.300 0.083 0.000 0.954 78 R CA -0.280 55.849 56.100 0.048 0.000 0.840 78 R CB 1.515 31.829 30.300 0.023 0.000 1.164 78 R HN 0.583 nan 8.270 nan 0.000 0.472 79 L N 3.547 124.858 121.223 0.146 0.000 2.321 79 L HA 0.646 4.987 4.340 0.001 0.000 0.272 79 L C 1.011 177.941 176.870 0.101 0.000 1.050 79 L CA 0.411 55.334 54.840 0.139 0.000 0.893 79 L CB -0.088 42.095 42.059 0.207 0.000 1.272 79 L HN 1.013 nan 8.230 nan 0.000 0.435 80 G N 2.254 111.087 108.800 0.056 0.000 2.536 80 G HA2 -0.298 3.663 3.960 0.001 0.000 0.277 80 G HA3 -0.298 3.663 3.960 0.001 0.000 0.277 80 G C 0.990 175.902 174.900 0.019 0.000 1.155 80 G CA 0.827 45.948 45.100 0.035 0.000 0.960 80 G HN 1.001 nan 8.290 nan 0.000 0.544 81 R N -0.159 120.346 120.500 0.008 0.000 2.300 81 R HA 0.415 4.755 4.340 0.001 0.000 0.199 81 R C 0.404 176.677 176.300 -0.046 0.000 0.920 81 R CA 0.494 56.588 56.100 -0.009 0.000 1.046 81 R CB 0.502 30.799 30.300 -0.005 0.000 0.984 81 R HN 0.320 nan 8.270 nan 0.000 0.493 82 V N 0.680 120.549 119.914 -0.075 0.000 2.439 82 V HA 0.489 4.610 4.120 0.001 0.000 0.282 82 V C 0.611 176.501 176.094 -0.341 0.000 1.039 82 V CA -1.009 61.148 62.300 -0.237 0.000 0.913 82 V CB 1.531 33.168 31.823 -0.311 0.000 0.983 82 V HN 0.213 nan 8.190 nan 0.000 0.460 83 G N 2.956 111.499 108.800 -0.430 0.000 2.356 83 G HA2 0.665 4.626 3.960 0.001 0.000 0.322 83 G HA3 0.665 4.626 3.960 0.001 0.000 0.322 83 G C -1.296 173.098 174.900 -0.844 0.000 1.125 83 G CA -0.264 44.576 45.100 -0.433 0.000 0.885 83 G HN 0.420 nan 8.290 nan 0.000 0.467 84 F N 1.869 121.540 119.950 -0.466 0.000 2.477 84 F HA 0.384 4.911 4.527 0.001 0.000 0.335 84 F C 0.331 175.810 175.800 -0.534 0.000 1.130 84 F CA -0.811 56.945 58.000 -0.407 0.000 0.948 84 F CB 1.883 40.777 39.000 -0.177 0.000 1.154 84 F HN 0.352 nan 8.300 nan 0.000 0.439 85 H N 3.116 122.296 119.070 0.183 0.000 2.492 85 H HA 0.779 5.335 4.556 0.001 0.000 0.345 85 H C -0.410 174.998 175.328 0.133 0.000 1.136 85 H CA -0.900 55.229 56.048 0.135 0.000 1.202 85 H CB 2.361 32.188 29.762 0.108 0.000 1.524 85 H HN 0.729 nan 8.280 nan 0.000 0.506 86 R N 1.584 122.213 120.500 0.215 0.000 2.710 86 R HA 0.438 4.779 4.340 0.001 0.000 0.270 86 R C -1.437 174.959 176.300 0.160 0.000 1.021 86 R CA -0.922 55.273 56.100 0.158 0.000 0.889 86 R CB 1.207 31.568 30.300 0.102 0.000 1.243 86 R HN 0.344 nan 8.270 nan 0.000 0.464 87 L N 2.246 123.560 121.223 0.151 0.000 2.439 87 L HA 0.180 4.521 4.340 0.001 0.000 0.269 87 L C 0.775 177.710 176.870 0.108 0.000 1.179 87 L CA -0.279 54.660 54.840 0.165 0.000 0.828 87 L CB 1.240 43.407 42.059 0.181 0.000 1.106 87 L HN 0.932 nan 8.230 nan 0.000 0.467 88 S N 0.453 116.206 115.700 0.088 0.000 2.584 88 S HA 0.019 4.490 4.470 0.001 0.000 0.270 88 S C 0.654 175.250 174.600 -0.006 0.000 1.346 88 S CA -0.714 57.500 58.200 0.024 0.000 1.018 88 S CB 0.984 64.172 63.200 -0.020 0.000 0.899 88 S HN 0.593 nan 8.310 nan 0.000 0.542 89 D N 1.607 121.995 120.400 -0.020 0.000 2.133 89 D HA -0.137 4.504 4.640 0.001 0.000 0.195 89 D C 2.125 178.391 176.300 -0.056 0.000 0.997 89 D CA 1.828 55.812 54.000 -0.027 0.000 0.840 89 D CB -0.849 39.935 40.800 -0.027 0.000 0.947 89 D HN 0.644 nan 8.370 nan 0.000 0.452 90 S N 0.298 115.938 115.700 -0.100 0.000 2.359 90 S HA -0.166 4.305 4.470 0.001 0.000 0.224 90 S C 2.061 176.531 174.600 -0.216 0.000 1.035 90 S CA 1.796 59.897 58.200 -0.166 0.000 1.018 90 S CB -0.237 62.827 63.200 -0.226 0.000 0.876 90 S HN 0.242 nan 8.310 nan 0.000 0.448 91 A N 1.222 123.907 122.820 -0.225 0.000 1.929 91 A HA 0.192 4.512 4.320 0.001 0.000 0.216 91 A C 2.308 179.903 177.584 0.019 0.000 1.176 91 A CA 1.270 53.206 52.037 -0.168 0.000 0.628 91 A CB -0.759 18.260 19.000 0.031 0.000 0.816 91 A HN 0.578 nan 8.150 nan 0.000 0.444 92 L N 0.012 121.251 121.223 0.026 0.000 2.017 92 L HA -0.177 4.164 4.340 0.001 0.000 0.208 92 L C 3.061 179.954 176.870 0.037 0.000 1.073 92 L CA 1.909 56.780 54.840 0.051 0.000 0.745 92 L CB -0.973 41.109 42.059 0.038 0.000 0.894 92 L HN 0.640 nan 8.230 nan 0.000 0.432 93 T N -3.294 111.262 114.554 0.004 0.000 2.788 93 T HA -0.285 4.066 4.350 0.001 0.000 0.268 93 T C 1.810 176.519 174.700 0.015 0.000 1.044 93 T CA 1.377 63.478 62.100 0.003 0.000 1.139 93 T CB -0.283 68.575 68.868 -0.016 0.000 0.867 93 T HN 0.330 nan 8.240 nan 0.000 0.454 94 Q N 0.417 120.221 119.800 0.006 0.000 2.119 94 Q HA -0.087 4.254 4.340 0.001 0.000 0.201 94 Q C 2.364 178.423 176.000 0.097 0.000 0.972 94 Q CA 1.618 57.442 55.803 0.034 0.000 0.847 94 Q CB -0.293 28.442 28.738 -0.006 0.000 0.903 94 Q HN 0.577 nan 8.270 nan 0.000 0.433 95 T N 0.261 114.890 114.554 0.124 0.000 2.777 95 T HA -0.093 4.257 4.350 0.001 0.000 0.266 95 T C 1.643 176.426 174.700 0.138 0.000 1.040 95 T CA 1.128 63.324 62.100 0.161 0.000 1.141 95 T CB -0.066 68.910 68.868 0.180 0.000 0.868 95 T HN 0.282 nan 8.240 nan 0.000 0.444 96 R N 0.871 121.430 120.500 0.098 0.000 2.148 96 R HA 0.139 4.480 4.340 0.001 0.000 0.227 96 R C 2.646 178.993 176.300 0.078 0.000 1.103 96 R CA 0.935 57.084 56.100 0.082 0.000 0.983 96 R CB -0.292 30.037 30.300 0.049 0.000 0.874 96 R HN 0.303 nan 8.270 nan 0.000 0.451 97 A N 0.851 123.713 122.820 0.069 0.000 2.125 97 A HA -0.082 4.238 4.320 0.001 0.000 0.219 97 A C 1.952 179.578 177.584 0.071 0.000 1.156 97 A CA 1.443 53.515 52.037 0.059 0.000 0.671 97 A CB -0.101 18.927 19.000 0.047 0.000 0.794 97 A HN 0.253 nan 8.150 nan 0.000 0.459 98 V N -4.813 115.158 119.914 0.095 0.000 3.528 98 V HA 0.538 4.659 4.120 0.001 0.000 0.294 98 V C 1.917 178.095 176.094 0.140 0.000 1.404 98 V CA 0.474 62.831 62.300 0.095 0.000 1.065 98 V CB -0.707 31.160 31.823 0.074 0.000 0.904 98 V HN 0.373 nan 8.190 nan 0.000 0.435 99 A N 2.234 125.164 122.820 0.185 0.000 1.903 99 A HA -0.094 4.227 4.320 0.001 0.000 0.219 99 A C 2.319 180.078 177.584 0.292 0.000 1.191 99 A CA 2.585 54.801 52.037 0.298 0.000 0.638 99 A CB -1.427 17.686 19.000 0.189 0.000 0.823 99 A HN 0.806 nan 8.150 nan 0.000 0.451 100 G N -1.039 107.867 108.800 0.178 0.000 2.432 100 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 100 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 100 G C 1.683 176.685 174.900 0.169 0.000 1.135 100 G CA 1.279 46.472 45.100 0.156 0.000 0.767 100 G HN 0.550 nan 8.290 nan 0.000 0.550 101 R N 0.318 120.901 120.500 0.138 0.000 2.066 101 R HA 0.120 4.461 4.340 0.001 0.000 0.232 101 R C 2.416 178.810 176.300 0.157 0.000 1.131 101 R CA 1.174 57.340 56.100 0.109 0.000 0.955 101 R CB -0.491 29.834 30.300 0.042 0.000 0.851 101 R HN 0.436 nan 8.270 nan 0.000 0.432 102 I N -1.247 119.407 120.570 0.140 0.000 2.206 102 I HA -0.167 4.004 4.170 0.001 0.000 0.239 102 I C 1.480 177.818 176.117 0.369 0.000 1.078 102 I CA 1.172 62.551 61.300 0.132 0.000 1.367 102 I CB -0.233 37.656 38.000 -0.184 0.000 1.078 102 I HN 0.128 nan 8.210 nan 0.000 0.413 103 Y N 0.954 121.432 120.300 0.296 0.000 2.490 103 Y HA 0.260 4.810 4.550 0.001 0.000 0.285 103 Y C 1.820 177.700 175.900 -0.033 0.000 1.117 103 Y CA -0.120 58.035 58.100 0.091 0.000 1.262 103 Y CB -0.823 37.637 38.460 -0.001 0.000 1.043 103 Y HN 0.022 nan 8.280 nan 0.000 0.553 104 G N 1.594 110.556 108.800 0.271 0.000 2.699 104 G HA2 0.084 4.045 3.960 0.001 0.000 0.246 104 G HA3 0.084 4.045 3.960 0.001 0.000 0.246 104 G C -1.420 173.623 174.900 0.239 0.000 1.219 104 G CA -0.792 44.422 45.100 0.190 0.000 0.866 104 G HN 0.050 nan 8.290 nan 0.000 0.572 105 P HA 0.133 nan 4.420 nan 0.000 0.237 105 P C 0.905 178.285 177.300 0.133 0.000 1.178 105 P CA 1.152 64.343 63.100 0.152 0.000 0.766 105 P CB 0.029 31.780 31.700 0.085 0.000 0.876 106 G N -0.098 108.784 108.800 0.137 0.000 2.699 106 G HA2 -0.015 3.945 3.960 0.001 0.000 0.686 106 G HA3 -0.015 3.945 3.960 0.001 0.000 0.686 106 G C 0.729 175.672 174.900 0.071 0.000 1.301 106 G CA -0.404 44.759 45.100 0.106 0.000 0.816 106 G HN 0.216 nan 8.290 nan 0.000 0.595 107 A N 0.343 123.200 122.820 0.061 0.000 2.119 107 A HA 0.546 4.866 4.320 0.001 0.000 0.217 107 A C 2.850 180.460 177.584 0.044 0.000 1.153 107 A CA 2.212 54.281 52.037 0.053 0.000 0.692 107 A CB -0.881 18.153 19.000 0.057 0.000 0.799 107 A HN 3.024 nan 8.150 nan 0.000 0.458 108 G N -0.039 108.782 108.800 0.034 0.000 2.596 108 G HA2 -0.272 3.688 3.960 0.001 0.000 0.295 108 G HA3 -0.272 3.688 3.960 0.001 0.000 0.295 108 G C -2.219 172.700 174.900 0.031 0.000 1.240 108 G CA 0.185 45.299 45.100 0.025 0.000 0.985 108 G HN 0.566 nan 8.290 nan 0.000 0.555 109 P HA 0.591 nan 4.420 nan 0.000 0.241 109 P C -0.221 177.106 177.300 0.046 0.000 1.780 109 P CA 0.537 63.660 63.100 0.039 0.000 1.111 109 P CB 0.573 32.288 31.700 0.026 0.000 1.852 110 A N 5.401 128.261 122.820 0.066 0.000 2.327 110 A HA 0.648 4.968 4.320 0.001 0.000 0.283 110 A C -2.065 175.579 177.584 0.100 0.000 1.127 110 A CA -1.439 50.643 52.037 0.075 0.000 0.810 110 A CB -0.242 18.808 19.000 0.084 0.000 1.066 110 A HN 0.291 nan 8.150 nan 0.000 0.492 111 P HA 0.344 nan 4.420 nan 0.000 0.281 111 P C -0.623 176.763 177.300 0.144 0.000 1.249 111 P CA -0.243 62.870 63.100 0.021 0.000 0.810 111 P CB 0.687 32.370 31.700 -0.029 0.000 1.008 112 W N 1.520 122.817 121.300 -0.005 0.000 2.762 112 W HA 0.616 5.276 4.660 0.001 0.000 0.355 112 W C -1.471 175.000 176.519 -0.081 0.000 1.124 112 W CA -0.723 56.638 57.345 0.026 0.000 1.141 112 W CB 0.540 30.002 29.460 0.003 0.000 1.432 112 W HN 0.417 nan 8.180 nan 0.000 0.586 113 H N 0.221 119.532 119.070 0.402 0.000 2.977 113 H HA 0.571 5.128 4.556 0.001 0.000 0.350 113 H C -1.376 174.217 175.328 0.441 0.000 1.238 113 H CA -0.815 55.392 56.048 0.266 0.000 1.124 113 H CB 2.487 32.316 29.762 0.112 0.000 1.866 113 H HN 0.378 nan 8.280 nan 0.000 0.550 114 L N 1.259 122.780 121.223 0.496 0.000 2.341 114 L HA 0.812 5.152 4.340 0.001 0.000 0.278 114 L C -0.970 176.145 176.870 0.410 0.000 1.005 114 L CA -0.402 54.711 54.840 0.455 0.000 0.818 114 L CB 1.190 43.527 42.059 0.464 0.000 1.259 114 L HN 0.733 nan 8.230 nan 0.000 0.418 115 A N 3.477 126.527 122.820 0.384 0.000 2.318 115 A HA 0.859 5.180 4.320 0.001 0.000 0.317 115 A C -0.146 177.565 177.584 0.211 0.000 1.159 115 A CA 0.051 52.309 52.037 0.368 0.000 0.799 115 A CB 1.067 20.262 19.000 0.326 0.000 1.194 115 A HN 0.860 nan 8.150 nan 0.000 0.479 119 P HA -0.089 nan 4.420 nan 0.000 0.219 119 P C 0.925 178.170 177.300 -0.091 0.000 1.150 119 P CA 1.286 64.322 63.100 -0.108 0.000 0.814 119 P CB 0.150 31.810 31.700 -0.066 0.000 0.787 120 D N 0.123 120.472 120.400 -0.086 0.000 2.219 120 D HA -0.071 4.570 4.640 0.001 0.000 0.205 120 D C 0.690 176.951 176.300 -0.065 0.000 0.970 120 D CA 0.441 54.404 54.000 -0.062 0.000 0.851 120 D CB -0.374 40.398 40.800 -0.047 0.000 0.943 120 D HN 0.076 nan 8.370 nan 0.000 0.488 121 A N 2.340 125.100 122.820 -0.100 0.000 2.391 121 A HA 0.334 4.654 4.320 0.001 0.000 0.316 121 A C -1.268 176.261 177.584 -0.091 0.000 1.381 121 A CA -1.139 50.845 52.037 -0.088 0.000 0.998 121 A CB 0.827 19.761 19.000 -0.111 0.000 1.147 121 A HN 0.058 nan 8.150 nan 0.000 0.545 122 P HA -0.031 nan 4.420 nan 0.000 0.217 122 P C 0.233 177.525 177.300 -0.014 0.000 1.154 122 P CA 0.914 63.991 63.100 -0.037 0.000 0.841 122 P CB 0.245 31.933 31.700 -0.020 0.000 0.790 123 D N 0.046 120.452 120.400 0.009 0.000 3.134 123 D HA 0.198 4.839 4.640 0.001 0.000 0.248 123 D C 1.662 178.008 176.300 0.078 0.000 1.273 123 D CA -0.300 53.724 54.000 0.040 0.000 0.904 123 D CB -0.805 40.017 40.800 0.037 0.000 1.089 123 D HN 0.008 nan 8.370 nan 0.000 0.478 124 G N 0.156 109.003 108.800 0.079 0.000 2.442 124 G HA2 -0.232 3.729 3.960 0.001 0.000 0.219 124 G HA3 -0.232 3.729 3.960 0.001 0.000 0.219 124 G C 1.575 176.727 174.900 0.421 0.000 1.141 124 G CA 0.313 45.538 45.100 0.208 0.000 0.763 124 G HN 0.472 nan 8.290 nan 0.000 0.554 125 L N 1.566 122.966 121.223 0.296 0.000 2.187 125 L HA -0.130 4.210 4.340 0.001 0.000 0.213 125 L C 3.253 180.196 176.870 0.120 0.000 1.100 125 L CA 1.410 56.380 54.840 0.216 0.000 0.765 125 L CB -0.344 41.805 42.059 0.151 0.000 0.904 125 L HN 0.464 nan 8.230 nan 0.000 0.437 126 S N -0.051 115.714 115.700 0.109 0.000 2.406 126 S HA -0.112 4.359 4.470 0.001 0.000 0.228 126 S C 1.844 176.484 174.600 0.067 0.000 1.020 126 S CA 0.641 58.883 58.200 0.070 0.000 0.965 126 S CB -0.514 62.722 63.200 0.060 0.000 0.798 126 S HN 0.403 nan 8.310 nan 0.000 0.488 127 L N 0.721 122.011 121.223 0.112 0.000 2.456 127 L HA 0.231 4.572 4.340 0.001 0.000 0.224 127 L C 0.461 177.341 176.870 0.016 0.000 1.148 127 L CA 0.292 55.195 54.840 0.105 0.000 0.825 127 L CB -0.468 41.720 42.059 0.215 0.000 0.937 127 L HN 0.285 nan 8.230 nan 0.000 0.450 128 L N 0.942 122.142 121.223 -0.038 0.000 2.319 128 L HA 0.254 4.594 4.340 0.001 0.000 0.280 128 L C -1.797 175.015 176.870 -0.097 0.000 1.099 128 L CA -2.028 52.713 54.840 -0.165 0.000 0.828 128 L CB 0.282 42.191 42.059 -0.250 0.000 1.150 128 L HN -0.156 nan 8.230 nan 0.000 0.442 129 P HA -0.058 nan 4.420 nan 0.000 0.269 129 P C 0.183 177.454 177.300 -0.049 0.000 1.211 129 P CA -0.244 62.818 63.100 -0.065 0.000 0.781 129 P CB 0.428 32.086 31.700 -0.070 0.000 0.877 130 D N -0.295 120.089 120.400 -0.028 0.000 2.264 130 D HA -0.137 4.504 4.640 0.001 0.000 0.208 130 D C 1.104 177.395 176.300 -0.014 0.000 0.966 130 D CA 1.575 55.566 54.000 -0.015 0.000 0.864 130 D CB -1.007 39.790 40.800 -0.004 0.000 0.933 130 D HN 0.476 nan 8.370 nan 0.000 0.499 131 T N -1.285 113.255 114.554 -0.023 0.000 3.035 131 T HA 0.062 4.413 4.350 0.001 0.000 0.268 131 T C 1.186 175.872 174.700 -0.024 0.000 1.109 131 T CA 0.083 62.171 62.100 -0.019 0.000 1.119 131 T CB -0.183 68.669 68.868 -0.026 0.000 0.900 131 T HN 0.071 nan 8.240 nan 0.000 0.503 132 L N 1.608 122.807 121.223 -0.040 0.000 2.309 132 L HA 0.562 4.903 4.340 0.001 0.000 0.282 132 L C 0.125 176.979 176.870 -0.027 0.000 1.036 132 L CA -0.844 53.968 54.840 -0.046 0.000 0.806 132 L CB 1.863 43.862 42.059 -0.100 0.000 1.220 132 L HN 0.081 nan 8.230 nan 0.000 0.429 133 S N 2.266 117.964 115.700 -0.004 0.000 2.451 133 S HA 0.826 5.296 4.470 0.001 0.000 0.301 133 S C -0.628 173.983 174.600 0.017 0.000 1.116 133 S CA -0.456 57.750 58.200 0.010 0.000 1.093 133 S CB 1.295 64.510 63.200 0.025 0.000 1.017 133 S HN 0.679 nan 8.310 nan 0.000 0.482 134 A N 3.836 126.667 122.820 0.018 0.000 2.374 134 A HA 0.701 5.021 4.320 0.001 0.000 0.305 134 A C -0.485 177.126 177.584 0.045 0.000 1.053 134 A CA -0.663 51.397 52.037 0.037 0.000 0.726 134 A CB 1.615 20.635 19.000 0.033 0.000 1.229 134 A HN 0.677 nan 8.150 nan 0.000 0.431 135 T N 5.575 120.159 114.554 0.050 0.000 2.842 135 T HA 0.541 4.891 4.350 0.001 0.000 0.308 135 T C -2.765 171.977 174.700 0.069 0.000 1.041 135 T CA -1.033 61.091 62.100 0.040 0.000 0.964 135 T CB 1.177 70.047 68.868 0.004 0.000 0.972 135 T HN 0.521 nan 8.240 nan 0.000 0.460 136 P HA 0.199 nan 4.420 nan 0.000 0.268 136 P C 0.396 177.771 177.300 0.126 0.000 1.205 136 P CA -0.229 62.944 63.100 0.122 0.000 0.771 136 P CB 0.713 32.478 31.700 0.108 0.000 0.858 137 I N -0.171 120.509 120.570 0.184 0.000 4.456 137 I HA 0.246 4.417 4.170 0.001 0.000 0.329 137 I C 0.530 176.836 176.117 0.315 0.000 1.313 137 I CA -0.058 61.390 61.300 0.246 0.000 1.205 137 I CB 0.401 38.525 38.000 0.205 0.000 1.179 137 I HN 0.332 nan 8.210 nan 0.000 0.419 138 S N -0.067 115.783 115.700 0.250 0.000 2.705 138 S HA 0.505 4.976 4.470 0.001 0.000 0.280 138 S C 0.519 175.213 174.600 0.158 0.000 1.174 138 S CA -0.865 57.446 58.200 0.186 0.000 0.823 138 S CB 1.415 64.741 63.200 0.209 0.000 1.162 138 S HN 0.113 nan 8.310 nan 0.000 0.487 139 R N 0.192 120.759 120.500 0.112 0.000 2.120 139 R HA 0.073 4.414 4.340 0.001 0.000 0.234 139 R C 1.576 177.913 176.300 0.062 0.000 1.123 139 R CA 1.305 57.449 56.100 0.074 0.000 0.975 139 R CB -0.234 30.091 30.300 0.042 0.000 0.866 139 R HN 0.607 nan 8.270 nan 0.000 0.446 140 R N -1.763 118.801 120.500 0.107 0.000 2.469 140 R HA 0.190 4.530 4.340 0.001 0.000 0.250 140 R C -0.431 175.769 176.300 -0.166 0.000 0.909 140 R CA -0.131 55.937 56.100 -0.053 0.000 1.050 140 R CB 0.716 30.964 30.300 -0.087 0.000 1.256 140 R HN -0.062 nan 8.270 nan 0.000 0.550 141 F N 0.630 120.623 119.950 0.072 0.000 2.480 141 F HA 0.649 5.176 4.527 0.001 0.000 0.329 141 F C 0.081 175.980 175.800 0.164 0.000 1.091 141 F CA -1.026 57.056 58.000 0.137 0.000 0.972 141 F CB 1.914 41.001 39.000 0.145 0.000 1.150 141 F HN -0.150 nan 8.300 nan 0.000 0.467 142 A N 3.246 126.269 122.820 0.338 0.000 2.515 142 A HA 0.775 5.096 4.320 0.001 0.000 0.298 142 A C -1.479 176.242 177.584 0.229 0.000 1.059 142 A CA -0.748 51.437 52.037 0.247 0.000 0.698 142 A CB 1.220 20.353 19.000 0.220 0.000 1.289 142 A HN 0.734 nan 8.150 nan 0.000 0.404 143 L N 2.363 123.666 121.223 0.134 0.000 2.319 143 L HA 0.464 4.805 4.340 0.001 0.000 0.280 143 L C -0.199 176.752 176.870 0.136 0.000 1.099 143 L CA -0.250 54.656 54.840 0.111 0.000 0.828 143 L CB 0.598 42.604 42.059 -0.088 0.000 1.150 143 L HN 0.721 nan 8.230 nan 0.000 0.442 144 I N 0.529 121.225 120.570 0.210 0.000 2.910 144 I HA 0.736 4.907 4.170 0.001 0.000 0.310 144 I C -0.621 175.609 176.117 0.188 0.000 1.043 144 I CA -0.454 60.937 61.300 0.153 0.000 1.053 144 I CB 2.061 40.109 38.000 0.080 0.000 1.242 144 I HN 0.502 nan 8.210 nan 0.000 0.452 145 C N 2.950 122.317 119.300 0.113 0.000 2.783 145 C HA 0.979 5.440 4.460 0.001 0.000 0.312 145 C C 0.216 175.237 174.990 0.052 0.000 1.182 145 C CA 0.902 59.986 59.018 0.110 0.000 1.432 145 C CB 0.536 28.335 27.740 0.097 0.000 1.933 145 C HN 1.546 nan 8.230 nan 0.000 0.473 146 G N 4.771 113.600 108.800 0.048 0.000 2.483 146 G HA2 0.036 3.997 3.960 0.001 0.000 0.521 146 G HA3 0.036 3.997 3.960 0.001 0.000 0.521 146 G C -3.124 171.768 174.900 -0.013 0.000 1.278 146 G CA -0.641 44.467 45.100 0.013 0.000 0.965 146 G HN 0.674 nan 8.290 nan 0.000 0.504 147 P HA 0.295 nan 4.420 nan 0.000 0.265 147 P C 1.282 178.537 177.300 -0.076 0.000 1.222 147 P CA -0.091 62.982 63.100 -0.045 0.000 0.767 147 P CB 0.279 31.957 31.700 -0.036 0.000 0.801 148 L N 2.636 123.800 121.223 -0.099 0.000 2.362 148 L HA -0.149 4.192 4.340 0.001 0.000 0.219 148 L C 2.426 179.230 176.870 -0.110 0.000 1.134 148 L CA 1.014 55.769 54.840 -0.141 0.000 0.807 148 L CB -0.814 41.114 42.059 -0.218 0.000 0.927 148 L HN 0.430 nan 8.230 nan 0.000 0.447 149 E N -0.034 120.118 120.200 -0.081 0.000 2.268 149 E HA -0.222 4.129 4.350 0.001 0.000 0.195 149 E C 0.580 177.137 176.600 -0.070 0.000 0.995 149 E CA 1.247 57.609 56.400 -0.063 0.000 0.836 149 E CB -0.160 29.512 29.700 -0.046 0.000 0.763 149 E HN 0.455 nan 8.360 nan 0.000 0.491 150 D N 1.036 121.384 120.400 -0.086 0.000 2.349 150 D HA 0.060 4.701 4.640 0.001 0.000 0.215 150 D C 0.046 176.251 176.300 -0.158 0.000 1.016 150 D CA 0.142 54.081 54.000 -0.101 0.000 0.870 150 D CB 0.473 41.219 40.800 -0.090 0.000 0.917 150 D HN -0.008 nan 8.370 nan 0.000 0.524 151 V N 3.161 122.969 119.914 -0.176 0.000 2.427 151 V HA 0.150 4.270 4.120 0.001 0.000 0.268 151 V C -1.931 174.042 176.094 -0.202 0.000 1.046 151 V CA -1.454 60.687 62.300 -0.265 0.000 0.970 151 V CB 0.701 32.396 31.823 -0.214 0.000 1.001 151 V HN -0.051 nan 8.190 nan 0.000 0.476 152 P HA 0.080 nan 4.420 nan 0.000 0.267 152 P C 0.805 178.160 177.300 0.091 0.000 1.200 152 P CA -0.146 62.927 63.100 -0.045 0.000 0.772 152 P CB 0.613 32.334 31.700 0.035 0.000 0.855 153 E N 1.628 121.881 120.200 0.088 0.000 2.333 153 E HA -0.152 4.198 4.350 0.001 0.000 0.198 153 E C 0.717 177.393 176.600 0.127 0.000 1.007 153 E CA 1.075 57.528 56.400 0.089 0.000 0.845 153 E CB -0.275 29.457 29.700 0.053 0.000 0.766 153 E HN 0.607 nan 8.360 nan 0.000 0.507 154 D N -1.356 119.157 120.400 0.188 0.000 2.342 154 D HA -0.059 4.582 4.640 0.001 0.000 0.221 154 D C -0.173 176.207 176.300 0.132 0.000 1.101 154 D CA -0.252 53.829 54.000 0.136 0.000 0.837 154 D CB -0.469 40.381 40.800 0.084 0.000 0.938 154 D HN -0.039 nan 8.370 nan 0.000 0.508 155 W N 0.483 121.764 121.300 -0.032 0.000 2.570 155 W HA 0.449 5.110 4.660 0.001 0.000 0.337 155 W C -0.293 176.209 176.519 -0.029 0.000 1.067 155 W CA -1.223 56.090 57.345 -0.052 0.000 1.229 155 W CB 1.214 30.643 29.460 -0.053 0.000 1.355 155 W HN -0.199 nan 8.180 nan 0.000 0.555 156 L N 5.007 126.322 121.223 0.153 0.000 2.295 156 L HA 0.434 4.775 4.340 0.001 0.000 0.288 156 L C -0.919 176.083 176.870 0.220 0.000 1.079 156 L CA -0.393 54.541 54.840 0.156 0.000 0.830 156 L CB -0.310 41.838 42.059 0.149 0.000 1.200 156 L HN 0.327 nan 8.230 nan 0.000 0.438 157 L N 5.316 126.654 121.223 0.191 0.000 2.264 157 L HA 0.612 4.953 4.340 0.001 0.000 0.289 157 L C -0.111 176.881 176.870 0.202 0.000 1.044 157 L CA 0.466 55.420 54.840 0.190 0.000 0.807 157 L CB 1.404 43.524 42.059 0.101 0.000 1.192 157 L HN 0.753 nan 8.230 nan 0.000 0.425 158 T N 4.063 118.774 114.554 0.262 0.000 2.893 158 T HA 0.863 5.214 4.350 0.001 0.000 0.293 158 T C -0.746 174.090 174.700 0.227 0.000 1.027 158 T CA -0.127 62.111 62.100 0.230 0.000 0.988 158 T CB 1.198 70.201 68.868 0.225 0.000 1.043 158 T HN 0.841 nan 8.240 nan 0.000 0.461 159 A N 4.401 127.274 122.820 0.089 0.000 2.281 159 A HA 0.891 5.212 4.320 0.001 0.000 0.329 159 A C -2.486 174.913 177.584 -0.308 0.000 1.122 159 A CA -1.587 50.335 52.037 -0.191 0.000 0.850 159 A CB -0.014 18.898 19.000 -0.147 0.000 1.207 159 A HN 0.697 nan 8.150 nan 0.000 0.495 160 P HA 0.243 nan 4.420 nan 0.000 0.271 160 P C 0.004 177.152 177.300 -0.254 0.000 1.216 160 P CA -0.037 62.728 63.100 -0.558 0.000 0.771 160 P CB 0.814 31.887 31.700 -1.046 0.000 0.864 161 S N 0.695 116.334 115.700 -0.103 0.000 2.707 161 S HA 0.423 4.894 4.470 0.001 0.000 0.276 161 S C 1.641 176.213 174.600 -0.046 0.000 1.179 161 S CA -0.122 58.045 58.200 -0.054 0.000 0.992 161 S CB 0.800 63.995 63.200 -0.008 0.000 1.030 161 S HN 0.494 nan 8.310 nan 0.000 0.554 162 G N -0.193 108.588 108.800 -0.031 0.000 2.479 162 G HA2 -0.126 3.835 3.960 0.001 0.000 0.220 162 G HA3 -0.126 3.835 3.960 0.001 0.000 0.220 162 G C 0.708 175.606 174.900 -0.003 0.000 1.115 162 G CA 0.298 45.385 45.100 -0.022 0.000 0.757 162 G HN 0.789 nan 8.290 nan 0.000 0.560 163 R N 0.313 120.818 120.500 0.008 0.000 2.694 163 R HA 0.394 4.734 4.340 0.001 0.000 0.268 163 R C 1.310 177.632 176.300 0.036 0.000 1.061 163 R CA 0.351 56.463 56.100 0.020 0.000 1.133 163 R CB 0.271 30.585 30.300 0.023 0.000 1.020 163 R HN 0.113 nan 8.270 nan 0.000 0.475 164 G N 2.618 111.435 108.800 0.028 0.000 2.485 164 G HA2 0.233 4.194 3.960 0.001 0.000 0.260 164 G HA3 0.233 4.194 3.960 0.001 0.000 0.260 164 G C -0.595 174.316 174.900 0.019 0.000 1.459 164 G CA -0.740 44.380 45.100 0.034 0.000 1.060 164 G HN 0.452 nan 8.290 nan 0.000 0.546 165 L N 1.791 122.992 121.223 -0.036 0.000 2.309 165 L HA 0.345 4.686 4.340 0.001 0.000 0.282 165 L C -1.733 175.024 176.870 -0.189 0.000 1.036 165 L CA -1.735 53.018 54.840 -0.146 0.000 0.806 165 L CB 1.966 43.891 42.059 -0.224 0.000 1.220 165 L HN 0.350 nan 8.230 nan 0.000 0.429 166 P HA 0.044 nan 4.420 nan 0.000 0.272 166 P C 0.963 178.090 177.300 -0.287 0.000 1.230 166 P CA -0.407 62.540 63.100 -0.254 0.000 0.788 166 P CB 1.180 32.697 31.700 -0.304 0.000 0.949 167 V N 1.594 121.453 119.914 -0.090 0.000 2.380 167 V HA -0.231 3.890 4.120 0.001 0.000 0.251 167 V C 2.363 178.451 176.094 -0.010 0.000 1.063 167 V CA 2.271 64.552 62.300 -0.033 0.000 1.055 167 V CB -1.452 30.392 31.823 0.035 0.000 0.657 167 V HN 0.765 nan 8.190 nan 0.000 0.455 168 W N -0.188 121.100 121.300 -0.021 0.000 2.350 168 W HA -0.108 4.553 4.660 0.001 0.000 0.289 168 W C 1.741 178.241 176.519 -0.033 0.000 1.215 168 W CA 1.368 58.699 57.345 -0.023 0.000 1.236 168 W CB -1.313 28.135 29.460 -0.020 0.000 1.130 168 W HN 0.217 nan 8.180 nan 0.000 0.541 169 V N 1.838 121.349 119.914 -0.672 0.000 2.346 169 V HA -0.270 3.850 4.120 0.001 0.000 0.244 169 V C 2.746 178.657 176.094 -0.305 0.000 1.037 169 V CA 2.259 64.184 62.300 -0.626 0.000 1.029 169 V CB -1.085 30.204 31.823 -0.889 0.000 0.663 169 V HN 0.107 nan 8.190 nan 0.000 0.454 170 Q N -0.129 119.520 119.800 -0.250 0.000 2.135 170 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 170 Q C 2.017 177.966 176.000 -0.084 0.000 0.981 170 Q CA 1.974 57.688 55.803 -0.149 0.000 0.856 170 Q CB -0.213 28.460 28.738 -0.108 0.000 0.902 170 Q HN 0.615 nan 8.270 nan 0.000 0.425 171 D N -0.576 119.797 120.400 -0.044 0.000 2.117 171 D HA -0.133 4.507 4.640 0.001 0.000 0.197 171 D C 1.861 178.159 176.300 -0.002 0.000 0.987 171 D CA 0.921 54.921 54.000 -0.000 0.000 0.829 171 D CB -0.166 40.661 40.800 0.045 0.000 0.961 171 D HN 0.065 nan 8.370 nan 0.000 0.460 172 V N 1.059 120.970 119.914 -0.005 0.000 2.237 172 V HA -0.222 3.898 4.120 0.001 0.000 0.245 172 V C 2.757 178.830 176.094 -0.035 0.000 1.046 172 V CA 1.848 64.146 62.300 -0.003 0.000 1.007 172 V CB -0.758 31.073 31.823 0.013 0.000 0.638 172 V HN 0.174 nan 8.190 nan 0.000 0.445 173 V N -1.871 117.996 119.914 -0.078 0.000 2.407 173 V HA -0.164 3.957 4.120 0.001 0.000 0.248 173 V C 2.257 178.324 176.094 -0.046 0.000 1.055 173 V CA 1.818 64.067 62.300 -0.085 0.000 1.049 173 V CB -1.012 30.721 31.823 -0.150 0.000 0.662 173 V HN 0.290 nan 8.190 nan 0.000 0.455 174 V N 0.726 120.617 119.914 -0.038 0.000 2.332 174 V HA -0.304 3.817 4.120 0.001 0.000 0.248 174 V C 2.722 178.809 176.094 -0.011 0.000 1.055 174 V CA 2.702 64.994 62.300 -0.014 0.000 1.038 174 V CB -0.617 31.198 31.823 -0.013 0.000 0.651 174 V HN 0.758 nan 8.190 nan 0.000 0.450 175 E N 0.092 120.281 120.200 -0.018 0.000 2.008 175 E HA -0.175 4.176 4.350 0.001 0.000 0.191 175 E C 2.233 178.813 176.600 -0.033 0.000 0.986 175 E CA 1.222 57.607 56.400 -0.024 0.000 0.807 175 E CB -0.303 29.388 29.700 -0.015 0.000 0.766 175 E HN 0.507 nan 8.360 nan 0.000 0.450 176 A N 0.357 123.161 122.820 -0.026 0.000 2.070 176 A HA -0.071 4.250 4.320 0.001 0.000 0.220 176 A C 2.088 179.661 177.584 -0.018 0.000 1.159 176 A CA 1.531 53.553 52.037 -0.025 0.000 0.656 176 A CB -0.597 18.392 19.000 -0.018 0.000 0.800 176 A HN 0.411 nan 8.150 nan 0.000 0.453 177 G N -2.446 106.355 108.800 0.002 0.000 3.189 177 G HA2 0.259 4.220 3.960 0.001 0.000 0.225 177 G HA3 0.259 4.220 3.960 0.001 0.000 0.225 177 G C 0.549 175.511 174.900 0.102 0.000 1.159 177 G CA 0.549 45.689 45.100 0.067 0.000 0.763 177 G HN 0.660 nan 8.290 nan 0.000 0.549 178 C N 0.476 119.750 119.300 -0.043 0.000 4.114 178 C HA -0.178 4.283 4.460 0.001 0.000 0.300 178 C C 1.950 176.912 174.990 -0.046 0.000 1.423 178 C CA 0.650 59.558 59.018 -0.183 0.000 2.034 178 C CB -2.283 25.124 27.740 -0.554 0.000 1.299 178 C HN 0.722 nan 8.230 nan 0.000 0.727 179 E N 1.362 121.601 120.200 0.066 0.000 2.118 179 E HA -0.119 4.232 4.350 0.001 0.000 0.195 179 E C 2.007 178.661 176.600 0.091 0.000 0.992 179 E CA 1.959 58.435 56.400 0.126 0.000 0.804 179 E CB -0.109 29.636 29.700 0.074 0.000 0.741 179 E HN 0.809 nan 8.360 nan 0.000 0.458 180 A N 0.126 122.959 122.820 0.021 0.000 1.898 180 A HA -0.079 4.241 4.320 0.001 0.000 0.214 180 A C 2.017 179.600 177.584 -0.002 0.000 1.183 180 A CA 1.365 53.408 52.037 0.011 0.000 0.622 180 A CB -0.469 18.524 19.000 -0.011 0.000 0.824 180 A HN 0.215 nan 8.150 nan 0.000 0.444 181 E N -0.604 119.552 120.200 -0.074 0.000 2.085 181 E HA -0.156 4.194 4.350 0.001 0.000 0.194 181 E C 1.542 178.105 176.600 -0.062 0.000 0.994 181 E CA 1.476 57.795 56.400 -0.134 0.000 0.801 181 E CB -0.347 29.179 29.700 -0.290 0.000 0.743 181 E HN 0.619 nan 8.360 nan 0.000 0.453 182 F N 0.946 120.908 119.950 0.020 0.000 2.128 182 F HA -0.040 4.487 4.527 0.001 0.000 0.295 182 F C 1.992 177.815 175.800 0.039 0.000 1.100 182 F CA 1.092 59.124 58.000 0.054 0.000 1.260 182 F CB -0.338 38.700 39.000 0.063 0.000 1.009 182 F HN -0.114 nan 8.300 nan 0.000 0.476 183 K N -0.243 120.286 120.400 0.214 0.000 2.147 183 K HA -0.115 4.206 4.320 0.001 0.000 0.205 183 K C 2.197 178.844 176.600 0.078 0.000 1.049 183 K CA 1.157 57.513 56.287 0.114 0.000 0.936 183 K CB -0.351 32.196 32.500 0.078 0.000 0.722 183 K HN 0.216 nan 8.250 nan 0.000 0.446 184 A N 0.831 123.691 122.820 0.066 0.000 1.930 184 A HA -0.079 4.241 4.320 0.001 0.000 0.215 184 A C 1.964 179.577 177.584 0.047 0.000 1.176 184 A CA 0.700 52.760 52.037 0.039 0.000 0.632 184 A CB -0.308 18.701 19.000 0.014 0.000 0.819 184 A HN 0.186 nan 8.150 nan 0.000 0.445 185 L N 0.319 121.590 121.223 0.080 0.000 2.017 185 L HA -0.117 4.224 4.340 0.001 0.000 0.208 185 L C 2.108 179.023 176.870 0.075 0.000 1.073 185 L CA 2.483 57.380 54.840 0.093 0.000 0.745 185 L CB -0.953 41.208 42.059 0.171 0.000 0.894 185 L HN 0.561 nan 8.230 nan 0.000 0.432 186 E N -0.829 119.419 120.200 0.079 0.000 2.097 186 E HA -0.273 4.077 4.350 0.001 0.000 0.196 186 E C 2.314 178.925 176.600 0.018 0.000 1.000 186 E CA 1.424 57.844 56.400 0.032 0.000 0.804 186 E CB 0.001 29.717 29.700 0.027 0.000 0.740 186 E HN 0.462 nan 8.360 nan 0.000 0.454 187 R N -0.499 120.015 120.500 0.024 0.000 2.073 187 R HA -0.087 4.254 4.340 0.001 0.000 0.234 187 R C 2.517 178.824 176.300 0.012 0.000 1.134 187 R CA 1.748 57.856 56.100 0.014 0.000 0.952 187 R CB -0.470 29.839 30.300 0.015 0.000 0.850 187 R HN 0.141 nan 8.270 nan 0.000 0.433 188 T N 1.798 116.363 114.554 0.017 0.000 2.684 188 T HA -0.129 4.221 4.350 0.001 0.000 0.267 188 T C 1.838 176.546 174.700 0.013 0.000 1.036 188 T CA 1.257 63.366 62.100 0.015 0.000 1.148 188 T CB -0.182 68.698 68.868 0.020 0.000 0.863 188 T HN 0.140 nan 8.240 nan 0.000 0.436 189 L N 0.714 121.945 121.223 0.014 0.000 2.201 189 L HA 0.022 4.363 4.340 0.001 0.000 0.212 189 L C 2.948 179.816 176.870 -0.004 0.000 1.105 189 L CA 0.722 55.564 54.840 0.004 0.000 0.775 189 L CB -0.637 41.419 42.059 -0.005 0.000 0.913 189 L HN 0.221 nan 8.230 nan 0.000 0.440 190 A N 0.703 123.521 122.820 -0.004 0.000 2.024 190 A HA -0.262 4.059 4.320 0.001 0.000 0.220 190 A C 2.321 179.902 177.584 -0.004 0.000 1.164 190 A CA 1.735 53.769 52.037 -0.007 0.000 0.643 190 A CB -0.544 18.453 19.000 -0.005 0.000 0.806 190 A HN 0.666 nan 8.150 nan 0.000 0.451 191 Q N -0.082 119.717 119.800 -0.001 0.000 2.226 191 Q HA -0.046 4.294 4.340 0.001 0.000 0.204 191 Q C 0.411 176.410 176.000 -0.001 0.000 0.975 191 Q CA 0.939 56.742 55.803 -0.001 0.000 0.866 191 Q CB -0.659 28.079 28.738 0.000 0.000 0.915 191 Q HN 0.612 nan 8.270 nan 0.000 0.440 192 I N 2.862 123.432 120.570 -0.001 0.000 2.455 192 I HA -0.046 4.124 4.170 0.001 0.000 0.303 192 I C 0.495 176.611 176.117 -0.002 0.000 1.180 192 I CA -0.205 61.095 61.300 0.000 0.000 1.469 192 I CB 0.053 38.054 38.000 0.001 0.000 1.480 192 I HN 0.184 nan 8.210 nan 0.000 0.669 193 D N 4.687 125.087 120.400 -0.001 0.000 2.106 193 D HA -0.004 4.636 4.640 0.001 0.000 0.203 193 D C 0.694 176.995 176.300 0.001 0.000 0.977 193 D CA 1.571 55.570 54.000 -0.001 0.000 0.844 193 D CB 0.555 41.355 40.800 -0.001 0.000 1.002 193 D HN 0.109 nan 8.370 nan 0.000 0.461 194 K N -0.125 120.276 120.400 0.003 0.000 2.395 194 K HA 0.381 4.702 4.320 0.001 0.000 0.247 194 K C -0.968 175.637 176.600 0.009 0.000 0.973 194 K CA -1.016 55.274 56.287 0.005 0.000 0.828 194 K CB 2.365 34.868 32.500 0.005 0.000 1.272 194 K HN -0.155 nan 8.250 nan 0.000 0.439 195 V N 4.361 124.282 119.914 0.012 0.000 2.521 195 V HA 0.111 4.231 4.120 0.001 0.000 0.286 195 V C -1.738 174.366 176.094 0.018 0.000 1.034 195 V CA -1.117 61.194 62.300 0.018 0.000 1.045 195 V CB 0.360 32.196 31.823 0.021 0.000 0.974 195 V HN 0.627 nan 8.190 nan 0.000 0.480 196 P HA 0.245 nan 4.420 nan 0.000 0.274 196 P C -0.097 177.213 177.300 0.017 0.000 1.231 196 P CA -0.421 62.688 63.100 0.015 0.000 0.790 196 P CB 0.992 32.700 31.700 0.012 0.000 0.951 197 D N -0.709 119.697 120.400 0.010 0.000 2.097 197 D HA -0.082 4.558 4.640 0.001 0.000 0.197 197 D C 0.233 176.540 176.300 0.013 0.000 0.984 197 D CA 1.226 55.233 54.000 0.012 0.000 0.826 197 D CB -0.924 39.880 40.800 0.007 0.000 0.973 197 D HN 0.353 nan 8.370 nan 0.000 0.460 198 T N 0.758 115.310 114.554 -0.004 0.000 2.946 198 T HA 0.057 4.407 4.350 0.001 0.000 0.311 198 T C 1.139 175.832 174.700 -0.013 0.000 1.063 198 T CA -0.099 61.985 62.100 -0.025 0.000 1.139 198 T CB 1.253 70.082 68.868 -0.066 0.000 0.994 198 T HN 0.052 nan 8.240 nan 0.000 0.547 199 R N 0.705 121.203 120.500 -0.004 0.000 2.090 199 R HA -0.026 4.314 4.340 0.001 0.000 0.228 199 R C 2.272 178.529 176.300 -0.072 0.000 1.110 199 R CA 0.549 56.691 56.100 0.071 0.000 0.973 199 R CB -0.331 30.095 30.300 0.211 0.000 0.869 199 R HN 0.449 nan 8.270 nan 0.000 0.440 200 L N 1.698 122.650 121.223 -0.451 0.000 2.017 200 L HA -0.160 4.180 4.340 0.001 0.000 0.208 200 L C 1.760 178.532 176.870 -0.164 0.000 1.073 200 L CA 1.854 56.254 54.840 -0.733 0.000 0.745 200 L CB -0.350 41.162 42.059 -0.912 0.000 0.894 200 L HN 0.110 nan 8.230 nan 0.000 0.432 201 E N -0.666 119.478 120.200 -0.093 0.000 2.058 201 E HA -0.282 4.068 4.350 0.001 0.000 0.194 201 E C 2.372 179.012 176.600 0.066 0.000 0.997 201 E CA 1.404 57.803 56.400 -0.001 0.000 0.801 201 E CB -0.216 29.476 29.700 -0.013 0.000 0.746 201 E HN 0.428 nan 8.360 nan 0.000 0.450 202 R N -0.104 120.442 120.500 0.078 0.000 2.083 202 R HA -0.182 4.159 4.340 0.001 0.000 0.237 202 R C 2.241 178.642 176.300 0.168 0.000 1.137 202 R CA 1.566 57.733 56.100 0.111 0.000 0.951 202 R CB -0.317 30.055 30.300 0.121 0.000 0.851 202 R HN 0.163 nan 8.270 nan 0.000 0.434 203 F N 0.799 120.806 119.950 0.096 0.000 2.075 203 F HA -0.201 4.326 4.527 0.001 0.000 0.297 203 F C 2.164 178.061 175.800 0.162 0.000 1.113 203 F CA 2.005 60.101 58.000 0.159 0.000 1.218 203 F CB -0.514 38.675 39.000 0.314 0.000 0.984 203 F HN -0.065 nan 8.300 nan 0.000 0.472 204 T N 1.298 116.069 114.554 0.361 0.000 2.759 204 T HA -0.213 4.138 4.350 0.001 0.000 0.269 204 T C 1.842 176.660 174.700 0.196 0.000 1.042 204 T CA 1.569 63.919 62.100 0.417 0.000 1.140 204 T CB -0.582 68.498 68.868 0.354 0.000 0.864 204 T HN 0.187 nan 8.240 nan 0.000 0.455 205 L N 0.966 122.253 121.223 0.106 0.000 2.056 205 L HA 0.082 4.422 4.340 0.001 0.000 0.207 205 L C 2.617 179.509 176.870 0.036 0.000 1.078 205 L CA 1.586 56.464 54.840 0.062 0.000 0.749 205 L CB -0.496 41.592 42.059 0.048 0.000 0.901 205 L HN 0.070 nan 8.230 nan 0.000 0.433 206 R N -0.947 119.552 120.500 -0.003 0.000 2.080 206 R HA -0.155 4.186 4.340 0.001 0.000 0.236 206 R C 2.088 178.353 176.300 -0.058 0.000 1.137 206 R CA 2.100 58.179 56.100 -0.035 0.000 0.943 206 R CB -0.399 29.865 30.300 -0.061 0.000 0.846 206 R HN 0.300 nan 8.270 nan 0.000 0.431 207 V N 1.529 121.343 119.914 -0.167 0.000 2.332 207 V HA -0.265 3.856 4.120 0.001 0.000 0.248 207 V C 2.442 178.584 176.094 0.079 0.000 1.055 207 V CA 1.704 63.931 62.300 -0.121 0.000 1.038 207 V CB -0.430 31.190 31.823 -0.338 0.000 0.651 207 V HN 0.326 nan 8.190 nan 0.000 0.450 208 L N -0.600 120.693 121.223 0.116 0.000 2.017 208 L HA -0.142 4.199 4.340 0.001 0.000 0.208 208 L C 2.478 179.418 176.870 0.116 0.000 1.073 208 L CA 1.222 56.138 54.840 0.126 0.000 0.745 208 L CB -0.556 41.557 42.059 0.090 0.000 0.894 208 L HN 0.170 nan 8.230 nan 0.000 0.432 209 V N -0.225 119.738 119.914 0.081 0.000 2.343 209 V HA -0.295 3.826 4.120 0.001 0.000 0.247 209 V C 2.335 178.496 176.094 0.111 0.000 1.051 209 V CA 1.743 64.087 62.300 0.073 0.000 1.036 209 V CB -0.401 31.444 31.823 0.036 0.000 0.654 209 V HN 0.327 nan 8.190 nan 0.000 0.451 210 L N -0.353 120.934 121.223 0.107 0.000 2.056 210 L HA -0.154 4.186 4.340 0.001 0.000 0.207 210 L C 2.446 179.403 176.870 0.145 0.000 1.078 210 L CA 2.269 57.189 54.840 0.134 0.000 0.749 210 L CB -0.803 41.312 42.059 0.094 0.000 0.901 210 L HN 0.486 nan 8.230 nan 0.000 0.433 211 H N -0.457 118.641 119.070 0.047 0.000 2.321 211 H HA -0.067 4.490 4.556 0.001 0.000 0.300 211 H C 2.099 177.433 175.328 0.010 0.000 1.087 211 H CA 1.718 57.772 56.048 0.009 0.000 1.319 211 H CB -0.158 29.601 29.762 -0.006 0.000 1.379 211 H HN 0.418 nan 8.280 nan 0.000 0.501 212 A N 1.087 123.912 122.820 0.009 0.000 1.908 212 A HA -0.215 4.106 4.320 0.001 0.000 0.218 212 A C 2.489 180.086 177.584 0.021 0.000 1.181 212 A CA 1.552 53.583 52.037 -0.011 0.000 0.627 212 A CB -1.440 17.605 19.000 0.075 0.000 0.818 212 A HN 0.827 nan 8.150 nan 0.000 0.445 213 W N 0.484 121.726 121.300 -0.097 0.000 2.408 213 W HA -0.128 4.533 4.660 0.001 0.000 0.311 213 W C 2.377 178.835 176.519 -0.102 0.000 1.190 213 W CA 1.457 58.761 57.345 -0.068 0.000 1.321 213 W CB -0.336 29.087 29.460 -0.062 0.000 1.143 213 W HN 0.373 nan 8.180 nan 0.000 0.501 214 R N 1.185 121.552 120.500 -0.222 0.000 2.097 214 R HA -0.284 4.057 4.340 0.001 0.000 0.236 214 R C 2.639 178.715 176.300 -0.375 0.000 1.135 214 R CA 2.959 58.857 56.100 -0.336 0.000 0.934 214 R CB -0.778 29.410 30.300 -0.188 0.000 0.846 214 R HN 0.267 nan 8.270 nan 0.000 0.431 215 R N 0.275 120.524 120.500 -0.419 0.000 2.139 215 R HA -0.170 4.171 4.340 0.001 0.000 0.243 215 R C 2.149 178.267 176.300 -0.303 0.000 1.145 215 R CA 1.790 57.663 56.100 -0.377 0.000 0.976 215 R CB -0.599 29.420 30.300 -0.468 0.000 0.866 215 R HN 0.327 nan 8.270 nan 0.000 0.449 216 L N 0.320 121.348 121.223 -0.325 0.000 2.130 216 L HA 0.108 4.448 4.340 0.001 0.000 0.200 216 L C 2.190 178.816 176.870 -0.407 0.000 1.075 216 L CA 1.090 55.719 54.840 -0.352 0.000 0.768 216 L CB -0.562 41.306 42.059 -0.317 0.000 0.933 216 L HN 0.198 nan 8.230 nan 0.000 0.451 217 I N -0.085 120.167 120.570 -0.529 0.000 2.151 217 I HA -0.295 3.876 4.170 0.001 0.000 0.243 217 I C 2.150 178.093 176.117 -0.290 0.000 1.080 217 I CA 1.749 62.752 61.300 -0.496 0.000 1.339 217 I CB -0.365 36.967 38.000 -1.113 0.000 1.039 217 I HN 0.271 nan 8.210 nan 0.000 0.409 218 L N -0.401 120.652 121.223 -0.284 0.000 2.456 218 L HA -0.118 4.223 4.340 0.001 0.000 0.224 218 L C 2.497 179.294 176.870 -0.123 0.000 1.148 218 L CA 0.771 55.514 54.840 -0.162 0.000 0.825 218 L CB -0.601 41.380 42.059 -0.131 0.000 0.937 218 L HN 0.244 nan 8.230 nan 0.000 0.450 219 R N -0.749 119.655 120.500 -0.161 0.000 2.189 219 R HA 0.061 4.402 4.340 0.001 0.000 0.203 219 R C 1.263 177.490 176.300 -0.122 0.000 1.012 219 R CA 0.006 56.026 56.100 -0.134 0.000 1.015 219 R CB 0.426 30.626 30.300 -0.168 0.000 0.938 219 R HN 0.101 nan 8.270 nan 0.000 0.472 220 S N -0.461 115.157 115.700 -0.136 0.000 2.603 220 S HA 0.128 4.599 4.470 0.001 0.000 0.268 220 S C -0.408 174.184 174.600 -0.014 0.000 1.317 220 S CA -0.414 57.740 58.200 -0.077 0.000 1.012 220 S CB 1.391 64.586 63.200 -0.008 0.000 0.926 220 S HN 0.221 nan 8.310 nan 0.000 0.539 221 S N 2.943 118.650 115.700 0.012 0.000 2.429 221 S HA 0.459 4.930 4.470 0.001 0.000 0.302 221 S C -1.942 172.681 174.600 0.038 0.000 1.115 221 S CA -1.726 56.485 58.200 0.018 0.000 1.095 221 S CB 0.957 64.161 63.200 0.007 0.000 0.987 221 S HN 0.496 nan 8.310 nan 0.000 0.474 222 P HA -0.069 nan 4.420 nan 0.000 0.216 222 P C 1.358 178.688 177.300 0.051 0.000 1.150 222 P CA 1.417 64.546 63.100 0.048 0.000 0.837 222 P CB 0.063 31.790 31.700 0.045 0.000 0.786 223 A N 0.238 123.084 122.820 0.043 0.000 1.865 223 A HA -0.159 4.161 4.320 0.001 0.000 0.217 223 A C 2.376 179.955 177.584 -0.008 0.000 1.191 223 A CA 2.413 54.477 52.037 0.045 0.000 0.623 223 A CB -1.697 17.327 19.000 0.040 0.000 0.826 223 A HN 0.195 nan 8.150 nan 0.000 0.444 224 A N -0.461 122.343 122.820 -0.026 0.000 1.908 224 A HA -0.195 4.126 4.320 0.001 0.000 0.218 224 A C 1.922 179.482 177.584 -0.041 0.000 1.181 224 A CA 1.851 53.850 52.037 -0.062 0.000 0.627 224 A CB -0.579 18.401 19.000 -0.033 0.000 0.818 224 A HN 0.652 nan 8.150 nan 0.000 0.445 225 E N -0.354 119.856 120.200 0.016 0.000 2.077 225 E HA -0.095 4.255 4.350 0.001 0.000 0.193 225 E C 2.325 178.944 176.600 0.032 0.000 0.989 225 E CA 1.014 57.436 56.400 0.038 0.000 0.800 225 E CB -0.302 29.433 29.700 0.060 0.000 0.746 225 E HN 0.618 nan 8.360 nan 0.000 0.452 226 A N 1.241 124.095 122.820 0.056 0.000 1.940 226 A HA -0.158 4.163 4.320 0.001 0.000 0.219 226 A C 2.341 180.014 177.584 0.149 0.000 1.176 226 A CA 1.773 53.889 52.037 0.132 0.000 0.631 226 A CB -0.626 18.492 19.000 0.197 0.000 0.814 226 A HN 0.306 nan 8.150 nan 0.000 0.446 227 A N -0.664 122.092 122.820 -0.107 0.000 2.014 227 A HA 0.126 4.446 4.320 0.001 0.000 0.218 227 A C 2.046 179.539 177.584 -0.152 0.000 1.163 227 A CA 1.157 52.940 52.037 -0.422 0.000 0.652 227 A CB -0.455 18.106 19.000 -0.733 0.000 0.808 227 A HN 0.464 nan 8.150 nan 0.000 0.449 228 L N -1.299 119.883 121.223 -0.068 0.000 2.217 228 L HA 0.170 4.511 4.340 0.001 0.000 0.211 228 L C 1.550 178.429 176.870 0.015 0.000 1.107 228 L CA 0.601 55.425 54.840 -0.027 0.000 0.783 228 L CB -0.763 41.292 42.059 -0.007 0.000 0.919 228 L HN 0.649 nan 8.230 nan 0.000 0.442 229 G N -0.812 108.016 108.800 0.047 0.000 2.660 229 G HA2 -0.209 3.751 3.960 0.001 0.000 0.215 229 G HA3 -0.209 3.751 3.960 0.001 0.000 0.215 229 G C 0.525 175.445 174.900 0.033 0.000 1.345 229 G CA -0.426 44.709 45.100 0.059 0.000 0.877 229 G HN 0.215 nan 8.290 nan 0.000 0.549 230 G N -0.506 108.309 108.800 0.026 0.000 2.744 230 G HA2 0.456 4.416 3.960 0.001 0.000 0.211 230 G HA3 0.456 4.416 3.960 0.001 0.000 0.211 230 G C 1.487 176.387 174.900 -0.000 0.000 1.143 230 G CA 1.984 47.090 45.100 0.011 0.000 0.788 230 G HN 1.878 nan 8.290 nan 0.000 0.534 231 A N 0.474 123.296 122.820 0.003 0.000 2.308 231 A HA 0.343 4.664 4.320 0.001 0.000 0.217 231 A C 1.492 179.074 177.584 -0.003 0.000 1.216 231 A CA -0.307 51.729 52.037 -0.001 0.000 0.864 231 A CB -0.167 18.835 19.000 0.003 0.000 0.902 231 A HN 0.475 nan 8.150 nan 0.000 0.499 232 R N -0.833 119.664 120.500 -0.004 0.000 2.734 232 R HA 0.429 4.770 4.340 0.001 0.000 0.266 232 R C 0.829 177.112 176.300 -0.027 0.000 1.044 232 R CA 0.425 56.525 56.100 -0.001 0.000 1.128 232 R CB 0.514 30.815 30.300 0.003 0.000 1.010 232 R HN 0.006 nan 8.270 nan 0.000 0.461 233 A N 2.016 124.840 122.820 0.006 0.000 2.172 233 A HA -0.191 4.129 4.320 0.001 0.000 0.216 233 A C 1.875 179.306 177.584 -0.254 0.000 1.154 233 A CA 1.368 53.403 52.037 -0.004 0.000 0.701 233 A CB -0.614 18.485 19.000 0.164 0.000 0.789 233 A HN 0.980 nan 8.150 nan 0.000 0.465 234 E N 0.251 120.168 120.200 -0.473 0.000 2.152 234 E HA -0.138 4.213 4.350 0.001 0.000 0.192 234 E C 1.544 177.925 176.600 -0.365 0.000 0.983 234 E CA 1.134 57.038 56.400 -0.827 0.000 0.818 234 E CB -0.320 28.952 29.700 -0.713 0.000 0.758 234 E HN 0.435 nan 8.360 nan 0.000 0.467 235 I N 2.198 122.641 120.570 -0.213 0.000 2.090 235 I HA -0.256 3.915 4.170 0.001 0.000 0.236 235 I C 2.627 178.645 176.117 -0.166 0.000 1.064 235 I CA 1.877 63.092 61.300 -0.143 0.000 1.324 235 I CB -1.859 36.091 38.000 -0.083 0.000 1.044 235 I HN 0.362 nan 8.210 nan 0.000 0.399 236 S N 0.077 115.695 115.700 -0.137 0.000 2.399 236 S HA -0.198 4.272 4.470 0.001 0.000 0.231 236 S C 2.280 176.780 174.600 -0.167 0.000 1.022 236 S CA 1.207 59.334 58.200 -0.122 0.000 0.983 236 S CB -1.322 61.833 63.200 -0.074 0.000 0.803 236 S HN 0.530 nan 8.310 nan 0.000 0.480 237 C N 1.926 121.105 119.300 -0.201 0.000 2.466 237 C HA 0.178 4.639 4.460 0.001 0.000 0.278 237 C C 3.012 177.675 174.990 -0.544 0.000 1.288 237 C CA 0.928 59.810 59.018 -0.228 0.000 1.722 237 C CB -1.181 26.533 27.740 -0.043 0.000 2.017 237 C HN 0.731 nan 8.230 nan 0.000 0.488 238 R N 0.621 120.727 120.500 -0.656 0.000 2.092 238 R HA -0.052 4.289 4.340 0.001 0.000 0.231 238 R C 2.256 178.097 176.300 -0.766 0.000 1.119 238 R CA 1.650 57.117 56.100 -1.055 0.000 0.970 238 R CB -0.472 29.489 30.300 -0.565 0.000 0.864 238 R HN 0.522 nan 8.270 nan 0.000 0.440 239 A N 1.169 123.751 122.820 -0.396 0.000 1.908 239 A HA -0.228 4.093 4.320 0.001 0.000 0.218 239 A C 2.160 179.612 177.584 -0.221 0.000 1.181 239 A CA 1.730 53.629 52.037 -0.230 0.000 0.627 239 A CB -0.505 18.409 19.000 -0.144 0.000 0.818 239 A HN 0.341 nan 8.150 nan 0.000 0.445 240 R N -0.309 120.035 120.500 -0.259 0.000 2.062 240 R HA -0.022 4.319 4.340 0.001 0.000 0.229 240 R C 1.858 178.008 176.300 -0.250 0.000 1.128 240 R CA 1.961 57.940 56.100 -0.202 0.000 0.960 240 R CB -1.094 29.110 30.300 -0.159 0.000 0.855 240 R HN 0.216 nan 8.270 nan 0.000 0.432 241 V N 0.832 120.471 119.914 -0.457 0.000 2.255 241 V HA -0.297 3.824 4.120 0.001 0.000 0.247 241 V C 2.058 177.990 176.094 -0.271 0.000 1.051 241 V CA 2.435 64.439 62.300 -0.494 0.000 1.018 241 V CB -0.719 30.469 31.823 -1.058 0.000 0.641 241 V HN 0.517 nan 8.190 nan 0.000 0.445 242 H N -0.675 118.192 119.070 -0.338 0.000 2.353 242 H HA -0.225 4.331 4.556 0.001 0.000 0.300 242 H C 2.457 177.719 175.328 -0.111 0.000 1.090 242 H CA 1.520 57.456 56.048 -0.187 0.000 1.327 242 H CB 0.058 29.730 29.762 -0.151 0.000 1.383 242 H HN 0.456 nan 8.280 nan 0.000 0.508 243 Q N 1.173 120.972 119.800 -0.001 0.000 2.077 243 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 243 Q C 2.214 178.208 176.000 -0.011 0.000 0.989 243 Q CA 1.461 57.256 55.803 -0.013 0.000 0.853 243 Q CB -0.039 28.676 28.738 -0.038 0.000 0.907 243 Q HN 0.493 nan 8.270 nan 0.000 0.418 244 L N 0.260 121.467 121.223 -0.028 0.000 2.017 244 L HA -0.205 4.136 4.340 0.001 0.000 0.208 244 L C 2.408 179.283 176.870 0.008 0.000 1.073 244 L CA 0.936 55.767 54.840 -0.014 0.000 0.745 244 L CB -0.410 41.633 42.059 -0.026 0.000 0.894 244 L HN 0.305 nan 8.230 nan 0.000 0.432 245 L N -0.768 120.467 121.223 0.021 0.000 2.265 245 L HA -0.178 4.163 4.340 0.001 0.000 0.215 245 L C 1.835 178.728 176.870 0.038 0.000 1.117 245 L CA 0.660 55.526 54.840 0.044 0.000 0.782 245 L CB -0.649 41.459 42.059 0.081 0.000 0.914 245 L HN 0.248 nan 8.230 nan 0.000 0.441 246 D N 0.059 120.475 120.400 0.027 0.000 2.110 246 D HA -0.155 4.485 4.640 0.001 0.000 0.202 246 D C 2.368 178.680 176.300 0.020 0.000 0.975 246 D CA 1.164 55.176 54.000 0.019 0.000 0.839 246 D CB -0.162 40.646 40.800 0.013 0.000 0.996 246 D HN 0.454 nan 8.370 nan 0.000 0.464 247 Q N 0.276 120.086 119.800 0.017 0.000 2.224 247 Q HA -0.061 4.279 4.340 0.001 0.000 0.203 247 Q C 2.052 178.068 176.000 0.026 0.000 0.970 247 Q CA 0.895 56.709 55.803 0.017 0.000 0.865 247 Q CB -0.322 28.422 28.738 0.010 0.000 0.922 247 Q HN 0.292 nan 8.270 nan 0.000 0.445 248 L N 0.475 121.717 121.223 0.031 0.000 2.209 248 L HA 0.127 4.468 4.340 0.001 0.000 0.207 248 L C 1.282 178.186 176.870 0.057 0.000 1.094 248 L CA 0.559 55.426 54.840 0.043 0.000 0.790 248 L CB -0.645 41.439 42.059 0.041 0.000 0.932 248 L HN 0.533 nan 8.230 nan 0.000 0.447 249 G N 0.351 109.182 108.800 0.050 0.000 2.697 249 G HA2 -0.295 3.666 3.960 0.001 0.000 0.240 249 G HA3 -0.295 3.666 3.960 0.001 0.000 0.240 249 G C -0.116 174.828 174.900 0.073 0.000 1.346 249 G CA -0.083 45.050 45.100 0.055 0.000 0.887 249 G HN 0.432 nan 8.290 nan 0.000 0.569 250 S N -1.203 114.543 115.700 0.078 0.000 2.454 250 S HA 0.725 5.196 4.470 0.001 0.000 0.306 250 S C -0.379 174.307 174.600 0.142 0.000 1.100 250 S CA 0.029 58.289 58.200 0.100 0.000 1.087 250 S CB 1.916 65.155 63.200 0.065 0.000 1.019 250 S HN 1.673 nan 8.310 nan 0.000 0.480 251 V N 3.640 123.694 119.914 0.234 0.000 2.540 251 V HA 0.463 4.584 4.120 0.001 0.000 0.302 251 V C 0.122 176.348 176.094 0.220 0.000 1.035 251 V CA -0.818 61.657 62.300 0.291 0.000 0.873 251 V CB 1.631 33.746 31.823 0.486 0.000 0.992 251 V HN 0.936 nan 8.190 nan 0.000 0.428 252 E N 6.040 126.266 120.200 0.044 0.000 2.257 252 E HA 0.186 4.536 4.350 0.001 0.000 0.278 252 E C -2.243 174.052 176.600 -0.509 0.000 1.049 252 E CA -1.536 54.786 56.400 -0.131 0.000 0.876 252 E CB 1.425 31.058 29.700 -0.113 0.000 1.035 252 E HN 0.426 nan 8.360 nan 0.000 0.419 253 P HA 0.041 nan 4.420 nan 0.000 0.244 253 P C -0.620 175.972 177.300 -1.182 0.000 1.769 253 P CA -0.066 62.201 63.100 -1.388 0.000 1.102 253 P CB 0.127 31.286 31.700 -0.902 0.000 1.937 254 D N 0.913 120.577 120.400 -1.228 0.000 2.338 254 D HA -0.045 4.596 4.640 0.001 0.000 0.224 254 D C 1.014 177.007 176.300 -0.511 0.000 0.967 254 D CA 0.151 53.778 54.000 -0.622 0.000 0.896 254 D CB -1.368 39.248 40.800 -0.306 0.000 1.028 254 D HN 0.278 nan 8.370 nan 0.000 0.493 255 W N 0.000 121.266 121.300 -0.057 0.000 2.388 255 W HA 0.000 4.661 4.660 0.001 0.000 0.303 255 W CA 0.000 57.323 57.345 -0.037 0.000 1.226 255 W CB 0.000 29.435 29.460 -0.042 0.000 1.126 255 W HN 0.000 nan 8.180 nan 0.000 0.535