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 2wu0_1_B DATA FIRST_RESID 13 DATA SEQUENCE DWQLEKVVEL SRAGIRPPTA GNREAIEAAT GRPWTEWTTH DGELTGHGYA DATA SEQUENCE AVVNKGREEG QHYRQLGLLQ AGcPTAESIY VRASPLQRTR ATAQALVDGA DATA SEQUENCE FPGcGVAIHY ANGDADPLFQ TDKFAATQTD PARQLAAVKE KAGDLAQRRQ DATA SEQUENCE ALAPTIQLLK QAVcQADKPc PIFDTPWRVE QSKSGKTTIS GLSVMANMVE DATA SEQUENCE TLRLGWSENL PLSQLAWGKI AQASQITALL PLLTENYDLS NDVLYTAQKR DATA SEQUENCE GSVLLNAMLD GVKPEASPNV RWLLLVAHDT NIAMVRTLMN FSWQLPGYSR DATA SEQUENCE GNIPPGSSLV LERWRDAKSG ERYLRVYFQA QGLDDLRRLQ TPDAQHPMLR DATA SEQUENCE QEWRQPGcRQ TDVGTLcPFQ AAITALGQRI DRPSAPAVAM VLPK 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.002 176.300 -0.496 0.000 2.045 13 D CA 0.000 53.815 54.000 -0.309 0.000 0.868 13 D CB 0.000 40.702 40.800 -0.163 0.000 0.688 14 W N 3.300 124.656 121.300 0.093 0.000 2.656 14 W HA 0.483 5.145 4.660 0.003 0.000 0.327 14 W C -0.272 176.468 176.519 0.369 0.000 1.041 14 W CA -0.827 56.644 57.345 0.210 0.000 1.229 14 W CB 1.729 31.229 29.460 0.067 0.000 1.397 14 W HN 0.238 nan 8.180 nan 0.000 0.479 15 Q N 2.602 122.755 119.800 0.589 0.000 2.331 15 Q HA 0.614 4.956 4.340 0.003 0.000 0.267 15 Q C -1.242 174.855 176.000 0.162 0.000 1.006 15 Q CA -1.189 54.807 55.803 0.322 0.000 0.818 15 Q CB 2.350 31.177 28.738 0.149 0.000 1.276 15 Q HN 0.516 nan 8.270 nan 0.000 0.450 16 L N 2.794 123.830 121.223 -0.313 0.000 2.313 16 L HA 0.187 4.529 4.340 0.003 0.000 0.282 16 L C 0.440 177.043 176.870 -0.446 0.000 1.092 16 L CA 0.737 55.031 54.840 -0.910 0.000 0.831 16 L CB 0.684 42.029 42.059 -1.190 0.000 1.159 16 L HN 0.841 nan 8.230 nan 0.000 0.442 17 E N 2.824 122.801 120.200 -0.372 0.000 2.201 17 E HA 0.082 4.434 4.350 0.003 0.000 0.193 17 E C -0.241 176.237 176.600 -0.204 0.000 0.957 17 E CA 0.175 56.452 56.400 -0.207 0.000 0.858 17 E CB 0.611 30.233 29.700 -0.129 0.000 0.816 17 E HN 0.375 nan 8.360 nan 0.000 0.475 18 K N 0.508 120.757 120.400 -0.252 0.000 2.570 18 K HA 0.244 4.566 4.320 0.003 0.000 0.256 18 K C -1.894 174.581 176.600 -0.207 0.000 0.939 18 K CA -0.289 55.895 56.287 -0.173 0.000 0.833 18 K CB 1.927 34.381 32.500 -0.077 0.000 1.318 18 K HN -0.172 nan 8.250 nan 0.000 0.433 19 V N 4.048 123.835 119.914 -0.211 0.000 2.459 19 V HA 0.623 4.745 4.120 0.003 0.000 0.295 19 V C -0.748 175.393 176.094 0.078 0.000 1.029 19 V CA -0.867 61.323 62.300 -0.182 0.000 0.874 19 V CB 1.802 33.271 31.823 -0.591 0.000 0.985 19 V HN 0.539 nan 8.190 nan 0.000 0.438 20 V N 4.411 124.380 119.914 0.091 0.000 2.444 20 V HA 0.535 4.657 4.120 0.003 0.000 0.294 20 V C -0.335 175.848 176.094 0.147 0.000 1.022 20 V CA -0.475 61.915 62.300 0.150 0.000 0.850 20 V CB 1.728 33.609 31.823 0.097 0.000 0.992 20 V HN 0.983 nan 8.190 nan 0.000 0.426 21 E N 3.971 124.304 120.200 0.222 0.000 2.272 21 E HA 0.620 4.972 4.350 0.003 0.000 0.269 21 E C -1.915 174.778 176.600 0.154 0.000 0.877 21 E CA -0.868 55.650 56.400 0.197 0.000 0.755 21 E CB 2.230 32.146 29.700 0.360 0.000 1.192 21 E HN 0.525 nan 8.360 nan 0.000 0.422 22 L N 3.802 125.093 121.223 0.114 0.000 2.318 22 L HA 0.440 4.782 4.340 0.003 0.000 0.277 22 L C -0.949 175.958 176.870 0.062 0.000 1.008 22 L CA -0.140 54.759 54.840 0.099 0.000 0.846 22 L CB 1.322 43.460 42.059 0.132 0.000 1.220 22 L HN 0.438 nan 8.230 nan 0.000 0.423 23 S N 4.982 120.688 115.700 0.011 0.000 2.541 23 S HA 0.552 5.024 4.470 0.003 0.000 0.283 23 S C 0.052 174.618 174.600 -0.056 0.000 1.196 23 S CA -0.675 57.513 58.200 -0.020 0.000 1.062 23 S CB 0.829 64.008 63.200 -0.036 0.000 1.009 23 S HN 0.746 nan 8.310 nan 0.000 0.502 24 R N 2.105 122.591 120.500 -0.023 0.000 2.582 24 R HA 0.510 4.851 4.340 0.003 0.000 0.271 24 R C 0.412 176.667 176.300 -0.074 0.000 1.078 24 R CA -0.223 55.856 56.100 -0.034 0.000 1.127 24 R CB 0.419 30.742 30.300 0.038 0.000 1.038 24 R HN 0.805 nan 8.270 nan 0.000 0.500 25 A N 1.964 124.724 122.820 -0.101 0.000 2.536 25 A HA 0.241 4.563 4.320 0.003 0.000 0.234 25 A C 0.624 178.196 177.584 -0.020 0.000 1.076 25 A CA 0.439 52.428 52.037 -0.080 0.000 0.769 25 A CB -0.068 18.897 19.000 -0.059 0.000 1.020 25 A HN 0.881 nan 8.150 nan 0.000 0.508 26 G N -0.509 108.283 108.800 -0.015 0.000 2.570 26 G HA2 0.437 4.398 3.960 0.003 0.000 0.276 26 G HA3 0.437 4.398 3.960 0.003 0.000 0.276 26 G C 0.099 175.043 174.900 0.074 0.000 1.346 26 G CA -0.833 44.282 45.100 0.026 0.000 1.034 26 G HN 0.768 nan 8.290 nan 0.000 0.512 27 I N 0.556 121.202 120.570 0.127 0.000 2.618 27 I HA 0.200 4.372 4.170 0.003 0.000 0.284 27 I C 0.890 177.097 176.117 0.150 0.000 1.146 27 I CA 0.200 61.605 61.300 0.174 0.000 1.425 27 I CB 0.497 38.651 38.000 0.257 0.000 1.383 27 I HN 0.531 nan 8.210 nan 0.000 0.562 28 R N 6.172 126.721 120.500 0.081 0.000 2.892 28 R HA 0.741 5.083 4.340 0.003 0.000 0.265 28 R C -2.945 173.135 176.300 -0.366 0.000 1.025 28 R CA -2.062 54.006 56.100 -0.053 0.000 0.982 28 R CB 0.538 30.798 30.300 -0.067 0.000 1.185 28 R HN 0.153 nan 8.270 nan 0.000 0.484 29 P HA 0.178 nan 4.420 nan 0.000 0.277 29 P C -2.461 174.402 177.300 -0.728 0.000 1.276 29 P CA -1.381 60.731 63.100 -1.646 0.000 0.788 29 P CB -0.236 30.548 31.700 -1.527 0.000 1.114 30 P HA 0.005 nan 4.420 nan 0.000 0.270 30 P C -0.060 177.097 177.300 -0.238 0.000 1.223 30 P CA 0.264 63.189 63.100 -0.292 0.000 0.785 30 P CB -0.147 31.409 31.700 -0.239 0.000 0.923 31 T N -1.846 112.611 114.554 -0.162 0.000 2.748 31 T HA 0.266 4.617 4.350 0.003 0.000 0.304 31 T C 1.586 176.216 174.700 -0.117 0.000 1.041 31 T CA 0.117 62.142 62.100 -0.125 0.000 1.033 31 T CB 0.105 68.913 68.868 -0.100 0.000 0.995 31 T HN 0.423 nan 8.240 nan 0.000 0.536 32 A N 1.453 124.219 122.820 -0.090 0.000 1.883 32 A HA 0.125 4.446 4.320 0.003 0.000 0.217 32 A C 2.530 180.068 177.584 -0.078 0.000 1.186 32 A CA 1.933 53.926 52.037 -0.073 0.000 0.624 32 A CB -1.768 17.199 19.000 -0.054 0.000 0.822 32 A HN 1.126 nan 8.150 nan 0.000 0.444 33 G N -0.163 108.589 108.800 -0.080 0.000 2.459 33 G HA2 -0.320 3.641 3.960 0.003 0.000 0.217 33 G HA3 -0.320 3.641 3.960 0.003 0.000 0.217 33 G C 1.431 176.268 174.900 -0.105 0.000 1.183 33 G CA 1.152 46.202 45.100 -0.084 0.000 0.776 33 G HN 0.722 nan 8.290 nan 0.000 0.552 34 N N 0.007 118.634 118.700 -0.122 0.000 2.061 34 N HA -0.178 4.564 4.740 0.003 0.000 0.193 34 N C 2.273 177.660 175.510 -0.204 0.000 1.030 34 N CA 1.134 54.088 53.050 -0.159 0.000 0.856 34 N CB -0.194 38.197 38.487 -0.161 0.000 1.023 34 N HN 0.281 nan 8.380 nan 0.000 0.424 35 R N 1.444 121.836 120.500 -0.180 0.000 2.080 35 R HA -0.195 4.147 4.340 0.003 0.000 0.236 35 R C 2.043 178.256 176.300 -0.146 0.000 1.137 35 R CA 1.611 57.601 56.100 -0.183 0.000 0.943 35 R CB -0.116 30.123 30.300 -0.101 0.000 0.846 35 R HN 0.107 nan 8.270 nan 0.000 0.431 36 E N 0.132 120.275 120.200 -0.096 0.000 2.097 36 E HA -0.189 4.163 4.350 0.003 0.000 0.196 36 E C 1.704 178.256 176.600 -0.079 0.000 1.000 36 E CA 1.915 58.276 56.400 -0.065 0.000 0.804 36 E CB -0.237 29.433 29.700 -0.049 0.000 0.740 36 E HN 0.498 nan 8.360 nan 0.000 0.454 37 A N 0.777 123.531 122.820 -0.110 0.000 1.873 37 A HA -0.116 4.206 4.320 0.003 0.000 0.215 37 A C 2.344 179.847 177.584 -0.135 0.000 1.186 37 A CA 1.606 53.576 52.037 -0.111 0.000 0.616 37 A CB -0.908 18.019 19.000 -0.122 0.000 0.823 37 A HN 0.510 nan 8.150 nan 0.000 0.442 38 I N -2.685 117.741 120.570 -0.241 0.000 2.439 38 I HA -0.122 4.050 4.170 0.003 0.000 0.251 38 I C 1.773 177.788 176.117 -0.170 0.000 1.139 38 I CA 1.910 63.013 61.300 -0.329 0.000 1.438 38 I CB -0.599 36.924 38.000 -0.795 0.000 1.085 38 I HN 0.307 nan 8.210 nan 0.000 0.427 39 E N 1.955 122.074 120.200 -0.135 0.000 2.152 39 E HA -0.093 4.258 4.350 0.003 0.000 0.192 39 E C 2.436 179.103 176.600 0.111 0.000 0.983 39 E CA 1.175 57.639 56.400 0.107 0.000 0.818 39 E CB -0.103 29.666 29.700 0.116 0.000 0.758 39 E HN 0.686 nan 8.360 nan 0.000 0.467 40 A N 1.712 124.556 122.820 0.040 0.000 1.855 40 A HA -0.069 4.253 4.320 0.003 0.000 0.215 40 A C 2.430 180.047 177.584 0.056 0.000 1.191 40 A CA 1.590 53.650 52.037 0.038 0.000 0.613 40 A CB -0.665 18.336 19.000 0.003 0.000 0.829 40 A HN 0.278 nan 8.150 nan 0.000 0.442 41 A N -0.563 122.282 122.820 0.042 0.000 1.972 41 A HA -0.063 4.259 4.320 0.003 0.000 0.219 41 A C 2.216 179.894 177.584 0.157 0.000 1.169 41 A CA 2.385 54.452 52.037 0.049 0.000 0.635 41 A CB -0.971 18.014 19.000 -0.025 0.000 0.810 41 A HN 0.814 nan 8.150 nan 0.000 0.446 42 T N -5.200 109.497 114.554 0.238 0.000 3.054 42 T HA 0.420 4.771 4.350 0.003 0.000 0.255 42 T C 1.296 176.105 174.700 0.180 0.000 1.035 42 T CA 1.016 63.298 62.100 0.303 0.000 0.941 42 T CB 0.145 69.317 68.868 0.506 0.000 1.026 42 T HN 1.650 nan 8.240 nan 0.000 0.533 43 G N 2.722 111.611 108.800 0.148 0.000 2.203 43 G HA2 -0.291 3.671 3.960 0.003 0.000 0.263 43 G HA3 -0.291 3.671 3.960 0.003 0.000 0.263 43 G C 0.001 174.949 174.900 0.081 0.000 1.012 43 G CA 0.412 45.568 45.100 0.093 0.000 0.749 43 G HN 1.049 nan 8.290 nan 0.000 0.512 44 R N -1.345 119.243 120.500 0.147 0.000 2.680 44 R HA 0.687 5.029 4.340 0.003 0.000 0.269 44 R C -3.319 173.177 176.300 0.326 0.000 1.026 44 R CA -1.977 54.203 56.100 0.133 0.000 0.889 44 R CB 1.811 32.072 30.300 -0.066 0.000 1.241 44 R HN 0.058 nan 8.270 nan 0.000 0.463 45 P HA 0.171 nan 4.420 nan 0.000 0.278 45 P C -1.109 176.606 177.300 0.692 0.000 1.238 45 P CA -0.286 63.073 63.100 0.431 0.000 0.794 45 P CB 0.511 32.382 31.700 0.284 0.000 0.955 46 W N 0.098 121.593 121.300 0.326 0.000 2.497 46 W HA 0.313 4.975 4.660 0.002 0.000 0.359 46 W C 0.420 177.048 176.519 0.182 0.000 1.131 46 W CA -0.403 57.126 57.345 0.306 0.000 1.280 46 W CB -0.176 29.428 29.460 0.241 0.000 1.319 46 W HN 0.145 nan 8.180 nan 0.000 0.626 47 T N 3.069 117.783 114.554 0.266 0.000 2.908 47 T HA -0.003 4.349 4.350 0.003 0.000 0.301 47 T C -0.072 174.856 174.700 0.380 0.000 1.019 47 T CA -0.093 62.126 62.100 0.197 0.000 1.152 47 T CB 0.115 68.989 68.868 0.009 0.000 0.966 47 T HN 0.050 nan 8.240 nan 0.000 0.540 48 E N 2.598 122.965 120.200 0.278 0.000 2.223 48 E HA 0.120 4.471 4.350 0.003 0.000 0.282 48 E C -0.292 176.519 176.600 0.351 0.000 1.046 48 E CA -0.249 56.320 56.400 0.282 0.000 0.857 48 E CB 0.605 30.401 29.700 0.160 0.000 1.055 48 E HN 0.514 nan 8.360 nan 0.000 0.409 49 W N 1.004 122.300 121.300 -0.006 0.000 2.213 49 W HA 0.093 4.754 4.660 0.002 0.000 0.356 49 W C 1.930 178.410 176.519 -0.064 0.000 1.273 49 W CA -0.663 56.663 57.345 -0.032 0.000 1.391 49 W CB -0.435 29.012 29.460 -0.021 0.000 1.187 49 W HN 0.444 nan 8.180 nan 0.000 0.649 50 T N -3.034 111.620 114.554 0.166 0.000 2.995 50 T HA -0.036 4.316 4.350 0.003 0.000 0.269 50 T C 0.651 175.338 174.700 -0.021 0.000 1.091 50 T CA 0.844 62.965 62.100 0.035 0.000 1.128 50 T CB -0.590 68.288 68.868 0.016 0.000 0.891 50 T HN 0.219 nan 8.240 nan 0.000 0.492 51 T N 2.519 117.122 114.554 0.082 0.000 2.845 51 T HA 0.257 4.609 4.350 0.003 0.000 0.288 51 T C -0.173 174.494 174.700 -0.055 0.000 0.980 51 T CA -0.613 61.496 62.100 0.016 0.000 1.071 51 T CB 0.559 69.502 68.868 0.126 0.000 0.941 51 T HN 0.335 nan 8.240 nan 0.000 0.487 52 H N 2.293 121.377 119.070 0.024 0.000 2.972 52 H HA 0.014 4.571 4.556 0.002 0.000 0.343 52 H C 0.180 175.463 175.328 -0.075 0.000 1.054 52 H CA 0.069 56.109 56.048 -0.014 0.000 1.412 52 H CB 0.452 30.207 29.762 -0.012 0.000 1.385 52 H HN 0.565 nan 8.280 nan 0.000 0.600 53 D N 1.055 121.470 120.400 0.025 0.000 2.533 53 D HA 0.053 4.695 4.640 0.003 0.000 0.236 53 D C 1.514 177.768 176.300 -0.077 0.000 1.137 53 D CA 1.594 55.532 54.000 -0.103 0.000 0.867 53 D CB 0.467 41.216 40.800 -0.085 0.000 1.170 53 D HN 0.843 nan 8.370 nan 0.000 0.474 54 G N 2.327 111.050 108.800 -0.128 0.000 2.199 54 G HA2 -0.284 3.677 3.960 0.003 0.000 0.254 54 G HA3 -0.284 3.677 3.960 0.003 0.000 0.254 54 G C 0.356 175.233 174.900 -0.038 0.000 0.982 54 G CA 0.188 45.240 45.100 -0.080 0.000 0.632 54 G HN 0.539 nan 8.290 nan 0.000 0.529 55 E N -0.600 119.588 120.200 -0.021 0.000 2.250 55 E HA 0.612 4.963 4.350 0.003 0.000 0.265 55 E C -0.184 176.433 176.600 0.029 0.000 1.033 55 E CA -1.068 55.344 56.400 0.020 0.000 0.888 55 E CB 1.647 31.386 29.700 0.065 0.000 1.151 55 E HN 0.206 nan 8.360 nan 0.000 0.412 56 L N 1.814 123.071 121.223 0.058 0.000 2.360 56 L HA 0.128 4.469 4.340 0.003 0.000 0.276 56 L C 0.142 177.090 176.870 0.129 0.000 1.121 56 L CA 0.186 55.080 54.840 0.091 0.000 0.845 56 L CB 0.594 42.714 42.059 0.102 0.000 1.143 56 L HN 0.568 nan 8.230 nan 0.000 0.452 57 T N 1.545 116.199 114.554 0.168 0.000 2.868 57 T HA 0.358 4.710 4.350 0.003 0.000 0.292 57 T C 1.314 176.134 174.700 0.200 0.000 1.028 57 T CA -0.191 62.033 62.100 0.207 0.000 1.059 57 T CB 1.098 70.153 68.868 0.312 0.000 0.991 57 T HN 0.740 nan 8.240 nan 0.000 0.531 58 G N -0.124 108.772 108.800 0.159 0.000 2.418 58 G HA2 -0.265 3.697 3.960 0.003 0.000 0.217 58 G HA3 -0.265 3.697 3.960 0.003 0.000 0.217 58 G C 1.303 176.301 174.900 0.164 0.000 1.158 58 G CA 1.151 46.324 45.100 0.122 0.000 0.771 58 G HN 1.041 nan 8.290 nan 0.000 0.545 59 H N 0.474 119.592 119.070 0.080 0.000 2.352 59 H HA -0.036 4.522 4.556 0.003 0.000 0.299 59 H C 2.705 178.088 175.328 0.092 0.000 1.097 59 H CA 2.069 58.154 56.048 0.062 0.000 1.311 59 H CB -0.398 29.380 29.762 0.027 0.000 1.377 59 H HN 0.272 nan 8.280 nan 0.000 0.504 60 G N -0.990 107.983 108.800 0.290 0.000 2.418 60 G HA2 -0.338 3.624 3.960 0.003 0.000 0.217 60 G HA3 -0.338 3.624 3.960 0.003 0.000 0.217 60 G C 1.552 176.529 174.900 0.129 0.000 1.158 60 G CA 0.861 46.088 45.100 0.211 0.000 0.771 60 G HN 0.519 nan 8.290 nan 0.000 0.545 61 Y N 1.925 122.244 120.300 0.033 0.000 2.097 61 Y HA -0.052 4.500 4.550 0.003 0.000 0.282 61 Y C 3.018 178.900 175.900 -0.030 0.000 1.152 61 Y CA 1.557 59.658 58.100 0.002 0.000 1.136 61 Y CB -0.447 38.015 38.460 0.004 0.000 0.975 61 Y HN 0.255 nan 8.280 nan 0.000 0.498 62 A N 0.322 123.253 122.820 0.185 0.000 1.892 62 A HA -0.232 4.090 4.320 0.003 0.000 0.218 62 A C 2.436 179.986 177.584 -0.056 0.000 1.188 62 A CA 2.337 54.400 52.037 0.044 0.000 0.631 62 A CB -1.606 17.353 19.000 -0.069 0.000 0.822 62 A HN 0.608 nan 8.150 nan 0.000 0.447 63 A N -0.698 122.063 122.820 -0.098 0.000 1.883 63 A HA -0.034 4.288 4.320 0.003 0.000 0.217 63 A C 2.250 179.794 177.584 -0.067 0.000 1.186 63 A CA 1.933 53.921 52.037 -0.082 0.000 0.624 63 A CB -1.028 17.955 19.000 -0.029 0.000 0.822 63 A HN 0.457 nan 8.150 nan 0.000 0.444 64 V N -0.291 119.571 119.914 -0.087 0.000 2.343 64 V HA -0.237 3.885 4.120 0.003 0.000 0.247 64 V C 2.579 178.589 176.094 -0.142 0.000 1.051 64 V CA 1.901 64.124 62.300 -0.129 0.000 1.036 64 V CB -0.853 30.850 31.823 -0.200 0.000 0.654 64 V HN 0.379 nan 8.190 nan 0.000 0.451 65 V N 0.787 120.603 119.914 -0.162 0.000 2.252 65 V HA -0.310 3.812 4.120 0.003 0.000 0.249 65 V C 2.385 178.443 176.094 -0.059 0.000 1.056 65 V CA 2.388 64.629 62.300 -0.099 0.000 1.022 65 V CB -0.956 30.859 31.823 -0.013 0.000 0.641 65 V HN 0.578 nan 8.190 nan 0.000 0.445 66 N N 0.139 118.807 118.700 -0.054 0.000 2.094 66 N HA -0.218 4.523 4.740 0.003 0.000 0.191 66 N C 1.861 177.339 175.510 -0.053 0.000 1.023 66 N CA 1.670 54.690 53.050 -0.049 0.000 0.857 66 N CB -0.422 38.032 38.487 -0.055 0.000 1.013 66 N HN 0.506 nan 8.380 nan 0.000 0.426 67 K N 0.649 121.014 120.400 -0.057 0.000 2.025 67 K HA -0.065 4.257 4.320 0.003 0.000 0.207 67 K C 1.995 178.568 176.600 -0.044 0.000 1.049 67 K CA 1.401 57.654 56.287 -0.057 0.000 0.933 67 K CB -0.435 32.032 32.500 -0.056 0.000 0.714 67 K HN 0.190 nan 8.250 nan 0.000 0.438 68 G N 1.274 110.055 108.800 -0.031 0.000 2.422 68 G HA2 -0.270 3.692 3.960 0.003 0.000 0.218 68 G HA3 -0.270 3.692 3.960 0.003 0.000 0.218 68 G C 1.628 176.509 174.900 -0.031 0.000 1.146 68 G CA 0.654 45.757 45.100 0.005 0.000 0.769 68 G HN 0.326 nan 8.290 nan 0.000 0.547 69 R N 0.381 120.853 120.500 -0.046 0.000 2.082 69 R HA -0.136 4.206 4.340 0.003 0.000 0.234 69 R C 2.501 178.762 176.300 -0.065 0.000 1.136 69 R CA 1.953 58.022 56.100 -0.053 0.000 0.935 69 R CB -0.307 29.972 30.300 -0.035 0.000 0.842 69 R HN 0.382 nan 8.270 nan 0.000 0.430 70 E N 0.728 120.886 120.200 -0.070 0.000 2.077 70 E HA -0.227 4.124 4.350 0.003 0.000 0.193 70 E C 1.727 178.253 176.600 -0.123 0.000 0.989 70 E CA 1.901 58.248 56.400 -0.087 0.000 0.800 70 E CB -0.159 29.481 29.700 -0.101 0.000 0.746 70 E HN 0.439 nan 8.360 nan 0.000 0.452 71 E N -0.817 119.295 120.200 -0.146 0.000 2.077 71 E HA -0.133 4.219 4.350 0.003 0.000 0.193 71 E C 1.981 178.433 176.600 -0.248 0.000 0.989 71 E CA 1.052 57.302 56.400 -0.251 0.000 0.800 71 E CB -0.461 29.158 29.700 -0.135 0.000 0.746 71 E HN 0.441 nan 8.360 nan 0.000 0.452 72 G N 0.490 109.206 108.800 -0.141 0.000 2.421 72 G HA2 -0.304 3.658 3.960 0.003 0.000 0.216 72 G HA3 -0.304 3.658 3.960 0.003 0.000 0.216 72 G C 1.425 176.268 174.900 -0.095 0.000 1.171 72 G CA 0.761 45.763 45.100 -0.163 0.000 0.775 72 G HN 0.261 nan 8.290 nan 0.000 0.543 73 Q N -0.854 118.901 119.800 -0.074 0.000 2.124 73 Q HA -0.121 4.220 4.340 0.003 0.000 0.202 73 Q C 2.267 178.252 176.000 -0.024 0.000 0.977 73 Q CA 1.456 57.239 55.803 -0.033 0.000 0.850 73 Q CB -0.211 28.513 28.738 -0.024 0.000 0.901 73 Q HN 0.727 nan 8.270 nan 0.000 0.429 74 H N -0.595 118.366 119.070 -0.181 0.000 2.293 74 H HA -0.174 4.383 4.556 0.003 0.000 0.300 74 H C 1.250 176.487 175.328 -0.151 0.000 1.082 74 H CA 1.836 57.748 56.048 -0.226 0.000 1.308 74 H CB -0.098 29.414 29.762 -0.417 0.000 1.375 74 H HN 0.233 nan 8.280 nan 0.000 0.495 75 Y N 0.371 120.548 120.300 -0.205 0.000 2.457 75 Y HA 0.056 4.608 4.550 0.003 0.000 0.292 75 Y C 2.641 178.442 175.900 -0.164 0.000 1.125 75 Y CA 0.651 58.583 58.100 -0.279 0.000 1.254 75 Y CB -0.227 38.025 38.460 -0.347 0.000 1.012 75 Y HN 0.172 nan 8.280 nan 0.000 0.555 76 R N -0.294 120.232 120.500 0.044 0.000 2.066 76 R HA -0.179 4.163 4.340 0.003 0.000 0.232 76 R C 2.294 178.599 176.300 0.008 0.000 1.131 76 R CA 1.287 57.411 56.100 0.041 0.000 0.955 76 R CB -0.338 29.990 30.300 0.047 0.000 0.851 76 R HN 0.267 nan 8.270 nan 0.000 0.432 77 Q N 1.091 120.877 119.800 -0.023 0.000 2.181 77 Q HA -0.141 4.201 4.340 0.003 0.000 0.205 77 Q C 1.724 177.709 176.000 -0.025 0.000 0.980 77 Q CA 1.426 57.215 55.803 -0.023 0.000 0.862 77 Q CB 0.055 28.776 28.738 -0.028 0.000 0.905 77 Q HN 0.389 nan 8.270 nan 0.000 0.429 78 L N -0.774 120.411 121.223 -0.063 0.000 2.591 78 L HA 0.115 4.456 4.340 0.003 0.000 0.228 78 L C 1.230 178.096 176.870 -0.005 0.000 1.133 78 L CA 0.484 55.312 54.840 -0.019 0.000 0.880 78 L CB -0.094 41.936 42.059 -0.048 0.000 1.033 78 L HN 0.406 nan 8.230 nan 0.000 0.450 79 G N 0.499 109.296 108.800 -0.004 0.000 2.153 79 G HA2 -0.334 3.628 3.960 0.003 0.000 0.252 79 G HA3 -0.334 3.628 3.960 0.003 0.000 0.252 79 G C 0.722 175.607 174.900 -0.025 0.000 0.994 79 G CA 0.621 45.722 45.100 0.000 0.000 0.698 79 G HN 0.325 nan 8.290 nan 0.000 0.521 80 L N -0.586 120.603 121.223 -0.057 0.000 2.095 80 L HA 0.500 4.842 4.340 0.003 0.000 0.204 80 L C 1.350 178.207 176.870 -0.022 0.000 1.080 80 L CA 1.358 56.132 54.840 -0.109 0.000 0.759 80 L CB 0.014 41.913 42.059 -0.267 0.000 0.914 80 L HN 0.338 nan 8.230 nan 0.000 0.439 81 L N 0.440 121.692 121.223 0.048 0.000 2.334 81 L HA 0.364 4.706 4.340 0.003 0.000 0.275 81 L C 0.006 176.946 176.870 0.117 0.000 1.036 81 L CA -0.898 54.027 54.840 0.143 0.000 0.807 81 L CB 1.250 43.470 42.059 0.269 0.000 1.231 81 L HN 0.070 nan 8.230 nan 0.000 0.438 82 Q N 1.241 121.115 119.800 0.122 0.000 2.396 82 Q HA 0.405 4.746 4.340 0.003 0.000 0.221 82 Q C 0.001 176.072 176.000 0.118 0.000 1.025 82 Q CA -0.432 55.428 55.803 0.094 0.000 0.946 82 Q CB 1.099 29.881 28.738 0.072 0.000 1.224 82 Q HN 0.712 nan 8.270 nan 0.000 0.539 83 A N 0.145 123.018 122.820 0.088 0.000 2.466 83 A HA 0.454 4.776 4.320 0.003 0.000 0.238 83 A C 0.918 178.567 177.584 0.109 0.000 1.074 83 A CA 0.890 52.982 52.037 0.092 0.000 0.774 83 A CB -0.602 18.436 19.000 0.063 0.000 1.015 83 A HN 0.881 nan 8.150 nan 0.000 0.498 84 G N -0.323 108.552 108.800 0.125 0.000 2.512 84 G HA2 -0.156 3.805 3.960 0.003 0.000 0.254 84 G HA3 -0.156 3.805 3.960 0.003 0.000 0.254 84 G C 0.275 175.279 174.900 0.172 0.000 1.199 84 G CA -0.151 45.023 45.100 0.124 0.000 0.941 84 G HN 1.558 nan 8.290 nan 0.000 0.569 85 c N 3.526 122.187 118.600 0.102 0.000 2.459 85 c HA 0.682 5.254 4.570 0.003 0.000 0.374 85 c C -1.029 173.031 174.090 -0.050 0.000 1.241 85 c CA -0.319 56.036 56.329 0.044 0.000 2.352 85 c CB 0.766 43.280 42.510 0.007 0.000 2.490 85 c HN 0.763 nan 8.230 nan 0.000 0.583 86 P HA 0.269 nan 4.420 nan 0.000 0.277 86 P C -0.110 177.095 177.300 -0.158 0.000 1.240 86 P CA 0.195 63.123 63.100 -0.288 0.000 0.798 86 P CB 0.690 31.962 31.700 -0.713 0.000 0.979 87 T N -2.039 112.465 114.554 -0.084 0.000 2.902 87 T HA 0.504 4.855 4.350 0.003 0.000 0.287 87 T C 1.394 176.070 174.700 -0.039 0.000 1.048 87 T CA 0.032 62.102 62.100 -0.049 0.000 0.941 87 T CB 0.159 69.016 68.868 -0.018 0.000 1.432 87 T HN 0.283 nan 8.240 nan 0.000 0.586 88 A N -0.097 122.718 122.820 -0.009 0.000 2.015 88 A HA 0.023 4.345 4.320 0.003 0.000 0.219 88 A C 2.166 179.764 177.584 0.023 0.000 1.163 88 A CA 0.946 52.994 52.037 0.018 0.000 0.646 88 A CB -0.788 18.224 19.000 0.020 0.000 0.806 88 A HN 0.857 nan 8.150 nan 0.000 0.448 89 E N 0.234 120.440 120.200 0.011 0.000 2.435 89 E HA -0.021 4.330 4.350 0.003 0.000 0.195 89 E C 1.821 178.442 176.600 0.036 0.000 1.029 89 E CA 0.790 57.200 56.400 0.016 0.000 0.865 89 E CB -0.018 29.686 29.700 0.006 0.000 0.833 89 E HN 0.609 nan 8.360 nan 0.000 0.510 90 S N 0.888 116.610 115.700 0.035 0.000 2.325 90 S HA 0.058 4.529 4.470 0.003 0.000 0.214 90 S C 1.175 175.856 174.600 0.135 0.000 1.031 90 S CA 0.482 58.729 58.200 0.078 0.000 0.972 90 S CB 0.424 63.642 63.200 0.029 0.000 0.908 90 S HN 0.175 nan 8.310 nan 0.000 0.453 91 I N -0.039 120.567 120.570 0.060 0.000 2.686 91 I HA 0.462 4.634 4.170 0.003 0.000 0.295 91 I C -2.114 174.030 176.117 0.044 0.000 1.114 91 I CA -1.052 60.272 61.300 0.039 0.000 1.038 91 I CB 2.175 40.127 38.000 -0.080 0.000 1.238 91 I HN 0.244 nan 8.210 nan 0.000 0.420 92 Y N 6.895 127.147 120.300 -0.080 0.000 2.338 92 Y HA 0.624 5.176 4.550 0.003 0.000 0.333 92 Y C -1.435 174.426 175.900 -0.065 0.000 0.968 92 Y CA -0.574 57.497 58.100 -0.049 0.000 1.123 92 Y CB 1.597 40.024 38.460 -0.055 0.000 1.165 92 Y HN 0.226 nan 8.280 nan 0.000 0.452 93 V N 7.290 126.952 119.914 -0.420 0.000 2.398 93 V HA 0.534 4.656 4.120 0.003 0.000 0.286 93 V C -0.537 175.400 176.094 -0.262 0.000 1.026 93 V CA -0.837 61.293 62.300 -0.283 0.000 0.868 93 V CB 1.437 33.106 31.823 -0.257 0.000 0.982 93 V HN 0.724 nan 8.190 nan 0.000 0.443 94 R N 3.782 124.260 120.500 -0.036 0.000 2.435 94 R HA 0.750 5.092 4.340 0.003 0.000 0.308 94 R C -0.560 175.848 176.300 0.181 0.000 0.975 94 R CA -0.274 55.904 56.100 0.130 0.000 0.867 94 R CB 1.370 31.851 30.300 0.303 0.000 1.171 94 R HN 0.834 nan 8.270 nan 0.000 0.470 95 A N 3.000 125.906 122.820 0.144 0.000 2.312 95 A HA 0.381 4.703 4.320 0.003 0.000 0.326 95 A C -0.130 177.516 177.584 0.104 0.000 1.172 95 A CA -0.519 51.526 52.037 0.015 0.000 0.821 95 A CB 1.527 20.506 19.000 -0.035 0.000 1.166 95 A HN 0.766 nan 8.150 nan 0.000 0.493 96 S N 2.372 117.960 115.700 -0.186 0.000 2.558 96 S HA 0.120 4.592 4.470 0.003 0.000 0.291 96 S C -1.123 173.532 174.600 0.091 0.000 1.306 96 S CA -0.328 57.885 58.200 0.022 0.000 1.056 96 S CB 0.379 63.460 63.200 -0.198 0.000 0.836 96 S HN 0.537 nan 8.310 nan 0.000 0.504 97 P HA 0.057 nan 4.420 nan 0.000 0.242 97 P C -0.060 177.236 177.300 -0.006 0.000 1.197 97 P CA 0.075 63.247 63.100 0.120 0.000 0.765 97 P CB -0.049 31.792 31.700 0.234 0.000 0.936 98 L N 0.637 121.882 121.223 0.038 0.000 2.452 98 L HA 0.089 4.431 4.340 0.003 0.000 0.267 98 L C 2.337 179.171 176.870 -0.060 0.000 1.188 98 L CA 0.517 55.367 54.840 0.017 0.000 0.821 98 L CB -0.342 41.781 42.059 0.107 0.000 1.102 98 L HN -0.115 nan 8.230 nan 0.000 0.470 99 Q N 2.567 122.332 119.800 -0.058 0.000 2.062 99 Q HA -0.249 4.093 4.340 0.003 0.000 0.209 99 Q C 2.025 177.995 176.000 -0.049 0.000 0.996 99 Q CA 2.560 58.321 55.803 -0.070 0.000 0.859 99 Q CB -0.029 28.688 28.738 -0.036 0.000 0.920 99 Q HN 0.736 nan 8.270 nan 0.000 0.415 100 R N -0.421 120.070 120.500 -0.015 0.000 2.115 100 R HA -0.068 4.274 4.340 0.003 0.000 0.230 100 R C 2.151 178.422 176.300 -0.048 0.000 1.111 100 R CA 1.882 57.979 56.100 -0.005 0.000 0.976 100 R CB -0.908 29.404 30.300 0.019 0.000 0.870 100 R HN 0.286 nan 8.270 nan 0.000 0.445 101 T N -1.295 113.206 114.554 -0.088 0.000 2.978 101 T HA 0.103 4.455 4.350 0.003 0.000 0.262 101 T C 1.940 176.550 174.700 -0.150 0.000 1.063 101 T CA 0.365 62.362 62.100 -0.171 0.000 1.140 101 T CB -0.103 68.591 68.868 -0.290 0.000 0.886 101 T HN 0.227 nan 8.240 nan 0.000 0.470 102 R N 1.345 121.755 120.500 -0.151 0.000 2.073 102 R HA 0.121 4.463 4.340 0.003 0.000 0.234 102 R C 2.988 179.229 176.300 -0.097 0.000 1.134 102 R CA 1.368 57.364 56.100 -0.172 0.000 0.952 102 R CB -0.723 29.384 30.300 -0.323 0.000 0.850 102 R HN 0.496 nan 8.270 nan 0.000 0.433 103 A N 0.431 123.220 122.820 -0.051 0.000 1.933 103 A HA -0.150 4.172 4.320 0.003 0.000 0.218 103 A C 2.169 179.736 177.584 -0.030 0.000 1.175 103 A CA 1.934 53.999 52.037 0.046 0.000 0.628 103 A CB -0.741 18.327 19.000 0.112 0.000 0.814 103 A HN 0.287 nan 8.150 nan 0.000 0.444 104 T N 0.200 114.701 114.554 -0.089 0.000 2.821 104 T HA 0.026 4.378 4.350 0.003 0.000 0.267 104 T C 2.230 176.822 174.700 -0.180 0.000 1.046 104 T CA 1.406 63.410 62.100 -0.159 0.000 1.139 104 T CB -0.423 68.370 68.868 -0.126 0.000 0.871 104 T HN 0.600 nan 8.240 nan 0.000 0.454 105 A N 1.641 124.377 122.820 -0.141 0.000 1.883 105 A HA -0.204 4.118 4.320 0.003 0.000 0.217 105 A C 2.297 179.807 177.584 -0.124 0.000 1.186 105 A CA 1.639 53.596 52.037 -0.132 0.000 0.624 105 A CB -0.728 18.204 19.000 -0.113 0.000 0.822 105 A HN 0.537 nan 8.150 nan 0.000 0.444 106 Q N -0.747 118.999 119.800 -0.089 0.000 2.135 106 Q HA -0.140 4.201 4.340 0.003 0.000 0.204 106 Q C 2.448 178.387 176.000 -0.102 0.000 0.981 106 Q CA 1.348 57.132 55.803 -0.032 0.000 0.856 106 Q CB -0.411 28.375 28.738 0.080 0.000 0.902 106 Q HN 0.702 nan 8.270 nan 0.000 0.425 107 A N 1.079 123.667 122.820 -0.386 0.000 1.877 107 A HA -0.181 4.140 4.320 0.003 0.000 0.216 107 A C 2.105 179.497 177.584 -0.320 0.000 1.186 107 A CA 1.163 52.737 52.037 -0.771 0.000 0.620 107 A CB -0.796 17.469 19.000 -1.225 0.000 0.822 107 A HN 0.283 nan 8.150 nan 0.000 0.443 108 L N -0.023 121.072 121.223 -0.213 0.000 2.013 108 L HA -0.220 4.122 4.340 0.003 0.000 0.212 108 L C 2.694 179.545 176.870 -0.032 0.000 1.073 108 L CA 1.887 56.670 54.840 -0.094 0.000 0.753 108 L CB -0.692 41.328 42.059 -0.065 0.000 0.890 108 L HN 0.487 nan 8.230 nan 0.000 0.432 109 V N -4.047 115.858 119.914 -0.014 0.000 2.667 109 V HA -0.169 3.953 4.120 0.003 0.000 0.252 109 V C 2.076 178.265 176.094 0.159 0.000 1.065 109 V CA 1.734 64.120 62.300 0.143 0.000 1.083 109 V CB -0.563 31.343 31.823 0.139 0.000 0.692 109 V HN 0.338 nan 8.190 nan 0.000 0.468 110 D N 1.843 122.287 120.400 0.073 0.000 2.123 110 D HA -0.073 4.569 4.640 0.003 0.000 0.196 110 D C 2.100 178.447 176.300 0.078 0.000 0.992 110 D CA 2.004 56.066 54.000 0.103 0.000 0.833 110 D CB -0.461 40.430 40.800 0.151 0.000 0.954 110 D HN 0.527 nan 8.370 nan 0.000 0.455 111 G N -0.302 108.510 108.800 0.021 0.000 2.459 111 G HA2 0.057 4.018 3.960 0.003 0.000 0.213 111 G HA3 0.057 4.018 3.960 0.003 0.000 0.213 111 G C 1.637 176.511 174.900 -0.044 0.000 1.155 111 G CA 0.740 45.838 45.100 -0.002 0.000 0.811 111 G HN 0.364 nan 8.290 nan 0.000 0.534 112 A N -0.044 122.719 122.820 -0.094 0.000 2.015 112 A HA 0.356 4.678 4.320 0.003 0.000 0.219 112 A C 0.554 177.744 177.584 -0.657 0.000 1.163 112 A CA 0.536 52.367 52.037 -0.342 0.000 0.646 112 A CB -0.216 18.584 19.000 -0.335 0.000 0.806 112 A HN 0.290 nan 8.150 nan 0.000 0.448 113 F N -0.686 119.322 119.950 0.098 0.000 2.646 113 F HA 0.320 4.849 4.527 0.003 0.000 0.336 113 F C -2.766 173.067 175.800 0.055 0.000 1.437 113 F CA -2.946 55.102 58.000 0.080 0.000 1.142 113 F CB 0.667 39.710 39.000 0.070 0.000 1.530 113 F HN -0.111 nan 8.300 nan 0.000 0.591 114 P HA 0.076 nan 4.420 nan 0.000 0.255 114 P C 1.033 178.398 177.300 0.108 0.000 1.161 114 P CA 1.388 64.551 63.100 0.106 0.000 0.768 114 P CB 0.359 32.100 31.700 0.069 0.000 0.746 115 G N 2.435 111.292 108.800 0.095 0.000 2.148 115 G HA2 -0.335 3.627 3.960 0.003 0.000 0.254 115 G HA3 -0.335 3.627 3.960 0.003 0.000 0.254 115 G C 0.835 175.777 174.900 0.070 0.000 0.981 115 G CA 0.104 45.248 45.100 0.072 0.000 0.670 115 G HN 0.563 nan 8.290 nan 0.000 0.528 116 c N 0.991 119.647 118.600 0.093 0.000 2.626 116 c HA 0.515 5.087 4.570 0.003 0.000 0.266 116 c C 2.238 176.344 174.090 0.026 0.000 1.317 116 c CA 0.324 56.690 56.329 0.061 0.000 1.716 116 c CB -1.018 41.536 42.510 0.074 0.000 1.819 116 c HN 1.952 nan 8.230 nan 0.000 0.578 117 G N 1.925 110.747 108.800 0.036 0.000 2.412 117 G HA2 -0.216 3.746 3.960 0.003 0.000 0.297 117 G HA3 -0.216 3.746 3.960 0.003 0.000 0.297 117 G C 0.023 174.914 174.900 -0.015 0.000 0.965 117 G CA 0.299 45.408 45.100 0.015 0.000 1.134 117 G HN 0.457 nan 8.290 nan 0.000 0.511 118 V N 0.632 120.536 119.914 -0.017 0.000 2.521 118 V HA 0.492 4.614 4.120 0.003 0.000 0.286 118 V C 1.161 177.200 176.094 -0.092 0.000 1.034 118 V CA -0.002 62.250 62.300 -0.080 0.000 1.045 118 V CB 0.797 32.556 31.823 -0.106 0.000 0.974 118 V HN 1.003 nan 8.190 nan 0.000 0.480 119 A N 6.379 129.117 122.820 -0.137 0.000 2.351 119 A HA 0.731 5.053 4.320 0.003 0.000 0.257 119 A C -0.307 177.084 177.584 -0.323 0.000 1.087 119 A CA -0.327 51.584 52.037 -0.211 0.000 0.798 119 A CB 0.247 19.096 19.000 -0.252 0.000 1.033 119 A HN 0.982 nan 8.150 nan 0.000 0.488 120 I N -1.285 119.084 120.570 -0.334 0.000 2.797 120 I HA 0.613 4.785 4.170 0.003 0.000 0.307 120 I C -0.339 175.506 176.117 -0.453 0.000 1.033 120 I CA -0.518 60.576 61.300 -0.343 0.000 1.071 120 I CB 1.727 39.642 38.000 -0.141 0.000 1.255 120 I HN 0.612 nan 8.210 nan 0.000 0.445 121 H N 3.086 122.077 119.070 -0.132 0.000 2.529 121 H HA 0.623 5.181 4.556 0.003 0.000 0.348 121 H C -1.433 173.956 175.328 0.101 0.000 1.152 121 H CA -0.335 55.656 56.048 -0.096 0.000 1.202 121 H CB 1.915 31.546 29.762 -0.219 0.000 1.562 121 H HN 0.804 nan 8.280 nan 0.000 0.515 122 Y N -1.528 118.842 120.300 0.117 0.000 2.624 122 Y HA 0.617 5.169 4.550 0.003 0.000 0.334 122 Y C -0.901 175.071 175.900 0.121 0.000 1.155 122 Y CA -1.494 56.677 58.100 0.118 0.000 1.046 122 Y CB 0.447 38.952 38.460 0.075 0.000 1.316 122 Y HN 0.725 nan 8.280 nan 0.000 0.457 123 A N 1.991 124.947 122.820 0.228 0.000 2.445 123 A HA 0.204 4.526 4.320 0.003 0.000 0.242 123 A C 0.554 178.221 177.584 0.138 0.000 1.075 123 A CA -0.197 51.922 52.037 0.138 0.000 0.777 123 A CB -0.016 19.092 19.000 0.181 0.000 1.013 123 A HN 0.891 nan 8.150 nan 0.000 0.493 124 N N 1.663 120.396 118.700 0.056 0.000 2.381 124 N HA -0.084 4.657 4.740 0.003 0.000 0.182 124 N C 1.176 176.753 175.510 0.111 0.000 1.025 124 N CA 1.195 54.282 53.050 0.062 0.000 0.888 124 N CB -0.051 38.449 38.487 0.021 0.000 0.965 124 N HN 0.737 nan 8.380 nan 0.000 0.438 125 G N 0.672 109.543 108.800 0.118 0.000 2.582 125 G HA2 0.064 4.025 3.960 0.003 0.000 0.232 125 G HA3 0.064 4.025 3.960 0.003 0.000 0.232 125 G C -0.053 174.921 174.900 0.122 0.000 1.458 125 G CA -0.072 45.090 45.100 0.104 0.000 1.062 125 G HN -0.030 nan 8.290 nan 0.000 0.566 126 D N -0.076 120.380 120.400 0.093 0.000 2.395 126 D HA 0.469 5.111 4.640 0.003 0.000 0.213 126 D C 0.424 176.793 176.300 0.115 0.000 1.110 126 D CA 0.206 54.260 54.000 0.090 0.000 0.835 126 D CB 0.851 41.677 40.800 0.043 0.000 0.965 126 D HN 0.478 nan 8.370 nan 0.000 0.505 127 A N 0.497 123.410 122.820 0.155 0.000 2.408 127 A HA 0.472 4.794 4.320 0.003 0.000 0.295 127 A C -1.438 176.354 177.584 0.347 0.000 1.040 127 A CA -0.761 51.414 52.037 0.230 0.000 0.707 127 A CB 1.830 20.888 19.000 0.097 0.000 1.235 127 A HN -0.087 nan 8.150 nan 0.000 0.418 128 D N 3.782 124.392 120.400 0.350 0.000 2.391 128 D HA 0.420 5.062 4.640 0.003 0.000 0.245 128 D C -1.849 174.460 176.300 0.015 0.000 1.069 128 D CA -1.790 52.329 54.000 0.199 0.000 0.831 128 D CB 2.409 43.358 40.800 0.249 0.000 1.204 128 D HN 0.191 nan 8.370 nan 0.000 0.503 129 P HA -0.065 nan 4.420 nan 0.000 0.225 129 P C 1.599 178.613 177.300 -0.475 0.000 1.148 129 P CA 0.574 63.166 63.100 -0.846 0.000 0.779 129 P CB 0.542 31.651 31.700 -0.985 0.000 0.780 130 L N -2.930 117.976 121.223 -0.528 0.000 2.240 130 L HA -0.008 4.333 4.340 0.003 0.000 0.211 130 L C 1.994 178.592 176.870 -0.454 0.000 1.106 130 L CA 1.151 55.598 54.840 -0.655 0.000 0.793 130 L CB -0.462 40.879 42.059 -1.196 0.000 0.927 130 L HN -0.093 nan 8.230 nan 0.000 0.446 131 F N -1.574 118.419 119.950 0.072 0.000 2.495 131 F HA 0.151 4.679 4.527 0.003 0.000 0.272 131 F C 1.089 176.981 175.800 0.154 0.000 0.919 131 F CA -0.514 57.564 58.000 0.130 0.000 1.178 131 F CB -0.299 38.800 39.000 0.165 0.000 1.030 131 F HN -0.197 nan 8.300 nan 0.000 0.777 132 Q N 1.346 121.361 119.800 0.359 0.000 3.207 132 Q HA 0.162 4.504 4.340 0.003 0.000 0.335 132 Q C 1.326 177.509 176.000 0.304 0.000 1.374 132 Q CA 0.160 56.126 55.803 0.272 0.000 1.023 132 Q CB -0.111 28.775 28.738 0.247 0.000 1.576 132 Q HN 0.436 nan 8.270 nan 0.000 0.515 133 T N -3.169 111.520 114.554 0.225 0.000 2.951 133 T HA -0.162 4.190 4.350 0.003 0.000 0.268 133 T C 1.237 176.071 174.700 0.224 0.000 1.073 133 T CA 1.097 63.331 62.100 0.223 0.000 1.134 133 T CB -0.021 68.901 68.868 0.091 0.000 0.884 133 T HN 0.465 nan 8.240 nan 0.000 0.479 134 D N 1.184 121.657 120.400 0.121 0.000 2.392 134 D HA -0.079 4.563 4.640 0.003 0.000 0.228 134 D C 1.383 177.689 176.300 0.009 0.000 1.003 134 D CA 0.421 54.454 54.000 0.055 0.000 0.917 134 D CB -0.241 40.568 40.800 0.014 0.000 0.890 134 D HN 0.271 nan 8.370 nan 0.000 0.532 135 K N -0.118 120.270 120.400 -0.019 0.000 2.437 135 K HA 0.167 4.489 4.320 0.003 0.000 0.198 135 K C -0.443 175.763 176.600 -0.656 0.000 1.024 135 K CA -0.119 55.971 56.287 -0.328 0.000 1.148 135 K CB 0.083 32.307 32.500 -0.461 0.000 0.860 135 K HN 0.198 nan 8.250 nan 0.000 0.515 136 F N -0.994 118.951 119.950 -0.008 0.000 2.578 136 F HA 0.333 4.861 4.527 0.003 0.000 0.311 136 F C 1.189 176.981 175.800 -0.013 0.000 1.094 136 F CA -0.977 57.017 58.000 -0.011 0.000 0.923 136 F CB 1.400 40.390 39.000 -0.017 0.000 1.230 136 F HN -0.200 nan 8.300 nan 0.000 0.450 137 A N 1.997 124.907 122.820 0.150 0.000 1.883 137 A HA -0.028 4.294 4.320 0.003 0.000 0.217 137 A C 2.201 179.829 177.584 0.074 0.000 1.186 137 A CA 2.085 54.169 52.037 0.079 0.000 0.624 137 A CB -1.098 17.936 19.000 0.055 0.000 0.822 137 A HN 0.914 nan 8.150 nan 0.000 0.444 138 A N -0.752 122.115 122.820 0.079 0.000 2.070 138 A HA -0.005 4.317 4.320 0.003 0.000 0.220 138 A C 1.931 179.528 177.584 0.023 0.000 1.159 138 A CA 2.163 54.223 52.037 0.038 0.000 0.656 138 A CB -0.809 18.200 19.000 0.016 0.000 0.800 138 A HN 0.921 nan 8.150 nan 0.000 0.453 139 T N -3.582 111.000 114.554 0.047 0.000 3.252 139 T HA 0.400 4.752 4.350 0.003 0.000 0.286 139 T C 0.219 174.934 174.700 0.025 0.000 1.013 139 T CA -0.386 61.726 62.100 0.019 0.000 0.914 139 T CB -0.028 68.848 68.868 0.014 0.000 1.131 139 T HN 0.376 nan 8.240 nan 0.000 0.529 140 Q N 2.310 122.130 119.800 0.034 0.000 2.317 140 Q HA 0.500 4.842 4.340 0.003 0.000 0.229 140 Q C 0.263 176.263 176.000 -0.001 0.000 0.984 140 Q CA -0.367 55.449 55.803 0.022 0.000 0.911 140 Q CB 0.995 29.752 28.738 0.032 0.000 1.217 140 Q HN 0.584 nan 8.270 nan 0.000 0.501 141 T N -1.817 112.744 114.554 0.011 0.000 2.918 141 T HA 0.264 4.616 4.350 0.003 0.000 0.283 141 T C -0.516 174.273 174.700 0.148 0.000 1.001 141 T CA -1.004 61.141 62.100 0.076 0.000 1.041 141 T CB 1.151 70.088 68.868 0.115 0.000 1.028 141 T HN 0.507 nan 8.240 nan 0.000 0.511 142 D N 1.694 122.250 120.400 0.260 0.000 2.277 142 D HA 0.334 4.976 4.640 0.003 0.000 0.249 142 D C -1.526 174.834 176.300 0.100 0.000 1.134 142 D CA -2.147 51.938 54.000 0.142 0.000 0.863 142 D CB 1.221 42.089 40.800 0.113 0.000 1.143 142 D HN 0.125 nan 8.370 nan 0.000 0.458 143 P HA -0.248 nan 4.420 nan 0.000 0.214 143 P C 0.874 178.171 177.300 -0.006 0.000 1.169 143 P CA 2.125 65.239 63.100 0.023 0.000 0.908 143 P CB 0.070 31.776 31.700 0.009 0.000 0.791 144 A N -0.614 122.191 122.820 -0.025 0.000 1.877 144 A HA -0.216 4.106 4.320 0.003 0.000 0.216 144 A C 2.264 179.781 177.584 -0.111 0.000 1.186 144 A CA 1.533 53.538 52.037 -0.054 0.000 0.620 144 A CB -0.947 18.025 19.000 -0.048 0.000 0.822 144 A HN 0.001 nan 8.150 nan 0.000 0.443 145 R N -0.640 119.754 120.500 -0.176 0.000 2.081 145 R HA -0.156 4.185 4.340 0.003 0.000 0.235 145 R C 2.333 178.355 176.300 -0.463 0.000 1.131 145 R CA 1.785 57.630 56.100 -0.424 0.000 0.960 145 R CB -0.798 29.087 30.300 -0.692 0.000 0.856 145 R HN 0.731 nan 8.270 nan 0.000 0.436 146 Q N 1.006 120.702 119.800 -0.172 0.000 2.050 146 Q HA -0.122 4.220 4.340 0.003 0.000 0.202 146 Q C 1.974 177.973 176.000 -0.001 0.000 0.980 146 Q CA 1.338 57.179 55.803 0.065 0.000 0.840 146 Q CB -0.424 28.422 28.738 0.180 0.000 0.898 146 Q HN 0.209 nan 8.270 nan 0.000 0.424 147 L N 0.058 121.264 121.223 -0.029 0.000 2.093 147 L HA 0.034 4.376 4.340 0.003 0.000 0.208 147 L C 2.099 178.944 176.870 -0.041 0.000 1.085 147 L CA 2.075 56.899 54.840 -0.027 0.000 0.755 147 L CB -1.024 41.019 42.059 -0.026 0.000 0.904 147 L HN 0.284 nan 8.230 nan 0.000 0.435 148 A N -0.558 122.217 122.820 -0.076 0.000 1.877 148 A HA -0.096 4.225 4.320 0.003 0.000 0.216 148 A C 2.448 179.992 177.584 -0.067 0.000 1.186 148 A CA 1.770 53.760 52.037 -0.078 0.000 0.620 148 A CB -1.150 17.785 19.000 -0.108 0.000 0.822 148 A HN 0.538 nan 8.150 nan 0.000 0.443 149 A N -0.603 122.165 122.820 -0.087 0.000 1.877 149 A HA -0.001 4.320 4.320 0.003 0.000 0.216 149 A C 2.245 179.833 177.584 0.007 0.000 1.186 149 A CA 1.818 53.838 52.037 -0.028 0.000 0.620 149 A CB -0.979 18.040 19.000 0.033 0.000 0.822 149 A HN 0.388 nan 8.150 nan 0.000 0.443 150 V N 0.038 119.959 119.914 0.011 0.000 2.295 150 V HA -0.276 3.846 4.120 0.003 0.000 0.246 150 V C 2.487 178.584 176.094 0.004 0.000 1.049 150 V CA 2.420 64.725 62.300 0.008 0.000 1.024 150 V CB -0.669 31.154 31.823 0.000 0.000 0.648 150 V HN 0.543 nan 8.190 nan 0.000 0.447 151 K N -0.251 120.148 120.400 -0.002 0.000 2.057 151 K HA -0.232 4.090 4.320 0.003 0.000 0.207 151 K C 2.265 178.869 176.600 0.006 0.000 1.049 151 K CA 1.789 58.078 56.287 0.003 0.000 0.931 151 K CB -0.196 32.301 32.500 -0.003 0.000 0.714 151 K HN 0.550 nan 8.250 nan 0.000 0.440 152 E N 1.223 121.422 120.200 -0.001 0.000 2.058 152 E HA -0.263 4.089 4.350 0.003 0.000 0.194 152 E C 2.012 178.618 176.600 0.011 0.000 0.997 152 E CA 1.515 57.915 56.400 0.001 0.000 0.801 152 E CB 0.110 29.805 29.700 -0.008 0.000 0.746 152 E HN 0.121 nan 8.360 nan 0.000 0.450 153 K N -0.199 120.210 120.400 0.014 0.000 2.103 153 K HA -0.058 4.264 4.320 0.003 0.000 0.204 153 K C 2.013 178.629 176.600 0.026 0.000 1.052 153 K CA 0.924 57.223 56.287 0.020 0.000 0.945 153 K CB -0.121 32.392 32.500 0.020 0.000 0.722 153 K HN 0.163 nan 8.250 nan 0.000 0.443 154 A N 0.814 123.651 122.820 0.027 0.000 1.865 154 A HA 0.011 4.332 4.320 0.003 0.000 0.217 154 A C 1.600 179.214 177.584 0.050 0.000 1.191 154 A CA 2.061 54.125 52.037 0.044 0.000 0.623 154 A CB -1.425 17.601 19.000 0.044 0.000 0.826 154 A HN 0.622 nan 8.150 nan 0.000 0.444 155 G N -0.651 108.171 108.800 0.037 0.000 2.591 155 G HA2 -0.337 3.625 3.960 0.003 0.000 0.298 155 G HA3 -0.337 3.625 3.960 0.003 0.000 0.298 155 G C -0.016 174.909 174.900 0.041 0.000 1.195 155 G CA 0.531 45.651 45.100 0.033 0.000 0.989 155 G HN 0.822 nan 8.290 nan 0.000 0.551 156 D N 1.525 121.948 120.400 0.039 0.000 2.374 156 D HA 0.424 5.066 4.640 0.003 0.000 0.240 156 D C 1.708 178.041 176.300 0.056 0.000 1.229 156 D CA -0.066 53.955 54.000 0.036 0.000 0.895 156 D CB 0.267 41.079 40.800 0.020 0.000 1.046 156 D HN 0.357 nan 8.370 nan 0.000 0.498 157 L N 3.038 124.308 121.223 0.079 0.000 2.240 157 L HA 0.017 4.358 4.340 0.003 0.000 0.211 157 L C 2.374 179.274 176.870 0.049 0.000 1.106 157 L CA 0.604 55.531 54.840 0.145 0.000 0.793 157 L CB -0.115 42.078 42.059 0.224 0.000 0.927 157 L HN 0.436 nan 8.230 nan 0.000 0.446 158 A N -0.541 122.273 122.820 -0.009 0.000 1.908 158 A HA -0.253 4.069 4.320 0.003 0.000 0.218 158 A C 2.287 179.807 177.584 -0.107 0.000 1.181 158 A CA 1.511 53.495 52.037 -0.088 0.000 0.627 158 A CB -0.414 18.554 19.000 -0.054 0.000 0.818 158 A HN 0.340 nan 8.150 nan 0.000 0.445 159 Q N -0.025 119.746 119.800 -0.049 0.000 2.046 159 Q HA -0.116 4.225 4.340 0.003 0.000 0.200 159 Q C 2.276 178.251 176.000 -0.042 0.000 0.975 159 Q CA 1.549 57.329 55.803 -0.039 0.000 0.836 159 Q CB -0.306 28.427 28.738 -0.008 0.000 0.896 159 Q HN 0.723 nan 8.270 nan 0.000 0.428 160 R N -0.220 120.280 120.500 0.000 0.000 2.091 160 R HA -0.104 4.238 4.340 0.003 0.000 0.238 160 R C 2.471 178.727 176.300 -0.074 0.000 1.136 160 R CA 1.468 57.603 56.100 0.059 0.000 0.959 160 R CB -0.287 30.145 30.300 0.220 0.000 0.856 160 R HN 0.154 nan 8.270 nan 0.000 0.437 161 R N 0.519 120.781 120.500 -0.397 0.000 2.115 161 R HA -0.178 4.164 4.340 0.003 0.000 0.230 161 R C 2.195 178.231 176.300 -0.439 0.000 1.111 161 R CA 1.484 57.029 56.100 -0.926 0.000 0.976 161 R CB 0.046 29.559 30.300 -1.311 0.000 0.870 161 R HN 0.069 nan 8.270 nan 0.000 0.445 162 Q N 0.246 119.893 119.800 -0.254 0.000 2.083 162 Q HA -0.015 4.327 4.340 0.003 0.000 0.198 162 Q C 1.763 177.712 176.000 -0.085 0.000 0.969 162 Q CA 2.037 57.753 55.803 -0.146 0.000 0.838 162 Q CB -0.234 28.444 28.738 -0.101 0.000 0.900 162 Q HN 0.387 nan 8.270 nan 0.000 0.436 163 A N -0.227 122.558 122.820 -0.058 0.000 2.019 163 A HA -0.064 4.258 4.320 0.003 0.000 0.219 163 A C 1.784 179.373 177.584 0.009 0.000 1.164 163 A CA 1.137 53.167 52.037 -0.012 0.000 0.644 163 A CB -0.451 18.555 19.000 0.011 0.000 0.805 163 A HN 0.428 nan 8.150 nan 0.000 0.449 164 L N -0.975 120.252 121.223 0.006 0.000 2.592 164 L HA 0.133 4.475 4.340 0.003 0.000 0.227 164 L C 2.579 179.478 176.870 0.048 0.000 1.127 164 L CA 0.326 55.207 54.840 0.068 0.000 0.884 164 L CB -0.123 42.049 42.059 0.187 0.000 1.065 164 L HN 0.390 nan 8.230 nan 0.000 0.457 165 A N 1.319 124.132 122.820 -0.011 0.000 1.917 165 A HA -0.142 4.180 4.320 0.003 0.000 0.219 165 A C -0.195 177.406 177.584 0.029 0.000 1.182 165 A CA 1.715 53.746 52.037 -0.009 0.000 0.633 165 A CB -1.530 17.447 19.000 -0.038 0.000 0.819 165 A HN 0.287 nan 8.150 nan 0.000 0.448 166 P HA -0.045 nan 4.420 nan 0.000 0.219 166 P C 1.378 178.710 177.300 0.053 0.000 1.150 166 P CA 1.552 64.671 63.100 0.031 0.000 0.814 166 P CB -0.192 31.521 31.700 0.022 0.000 0.787 167 T N -0.451 114.150 114.554 0.078 0.000 2.857 167 T HA -0.015 4.337 4.350 0.003 0.000 0.266 167 T C 1.757 176.547 174.700 0.150 0.000 1.048 167 T CA 0.833 62.996 62.100 0.105 0.000 1.139 167 T CB -0.811 68.128 68.868 0.120 0.000 0.874 167 T HN 0.046 nan 8.240 nan 0.000 0.455 168 I N 1.275 121.954 120.570 0.183 0.000 2.208 168 I HA -0.242 3.930 4.170 0.003 0.000 0.245 168 I C 2.762 178.993 176.117 0.190 0.000 1.097 168 I CA 1.327 62.789 61.300 0.272 0.000 1.363 168 I CB -0.314 37.849 38.000 0.272 0.000 1.051 168 I HN 0.208 nan 8.210 nan 0.000 0.413 169 Q N 1.285 121.137 119.800 0.088 0.000 2.083 169 Q HA -0.112 4.229 4.340 0.003 0.000 0.198 169 Q C 2.113 178.104 176.000 -0.016 0.000 0.969 169 Q CA 1.605 57.412 55.803 0.006 0.000 0.838 169 Q CB -0.376 28.364 28.738 0.003 0.000 0.900 169 Q HN 0.479 nan 8.270 nan 0.000 0.436 170 L N -0.095 121.142 121.223 0.023 0.000 2.079 170 L HA -0.191 4.150 4.340 0.003 0.000 0.210 170 L C 2.240 179.133 176.870 0.039 0.000 1.081 170 L CA 0.866 55.719 54.840 0.023 0.000 0.752 170 L CB -0.607 41.474 42.059 0.036 0.000 0.896 170 L HN 0.312 nan 8.230 nan 0.000 0.433 171 L N 0.106 121.388 121.223 0.098 0.000 2.027 171 L HA -0.214 4.128 4.340 0.003 0.000 0.206 171 L C 2.553 179.424 176.870 0.002 0.000 1.074 171 L CA 1.788 56.732 54.840 0.174 0.000 0.745 171 L CB -0.634 41.655 42.059 0.383 0.000 0.898 171 L HN 0.123 nan 8.230 nan 0.000 0.433 172 K N -0.863 119.347 120.400 -0.316 0.000 2.009 172 K HA -0.247 4.075 4.320 0.003 0.000 0.210 172 K C 2.083 178.478 176.600 -0.342 0.000 1.049 172 K CA 2.069 57.885 56.287 -0.786 0.000 0.929 172 K CB -0.154 31.875 32.500 -0.786 0.000 0.714 172 K HN 0.504 nan 8.250 nan 0.000 0.440 173 Q N -0.471 119.222 119.800 -0.179 0.000 2.135 173 Q HA -0.168 4.174 4.340 0.003 0.000 0.204 173 Q C 2.038 178.007 176.000 -0.052 0.000 0.981 173 Q CA 1.601 57.345 55.803 -0.099 0.000 0.856 173 Q CB -0.132 28.572 28.738 -0.056 0.000 0.902 173 Q HN 0.409 nan 8.270 nan 0.000 0.425 174 A N 0.406 123.220 122.820 -0.010 0.000 1.897 174 A HA -0.086 4.235 4.320 0.003 0.000 0.215 174 A C 2.116 179.764 177.584 0.106 0.000 1.181 174 A CA 1.578 53.652 52.037 0.060 0.000 0.620 174 A CB -0.238 18.817 19.000 0.092 0.000 0.821 174 A HN 0.324 nan 8.150 nan 0.000 0.443 175 V N -4.541 115.426 119.914 0.087 0.000 3.645 175 V HA 0.240 4.361 4.120 0.003 0.000 0.275 175 V C 0.669 176.735 176.094 -0.046 0.000 1.356 175 V CA -0.375 62.013 62.300 0.146 0.000 1.051 175 V CB -1.049 31.027 31.823 0.423 0.000 0.828 175 V HN 0.367 nan 8.190 nan 0.000 0.441 176 c N 2.774 121.305 118.600 -0.115 0.000 2.405 176 c HA 0.633 5.205 4.570 0.003 0.000 0.365 176 c C 0.339 174.306 174.090 -0.204 0.000 1.233 176 c CA -0.549 55.690 56.329 -0.151 0.000 2.230 176 c CB 0.765 43.169 42.510 -0.177 0.000 2.443 176 c HN 0.724 nan 8.230 nan 0.000 0.556 177 Q N 2.082 121.754 119.800 -0.214 0.000 2.230 177 Q HA 0.650 4.992 4.340 0.003 0.000 0.253 177 Q C -0.372 175.552 176.000 -0.126 0.000 0.919 177 Q CA -0.468 55.211 55.803 -0.206 0.000 0.908 177 Q CB 0.955 29.543 28.738 -0.250 0.000 1.245 177 Q HN 0.793 nan 8.270 nan 0.000 0.437 178 A N 2.366 125.124 122.820 -0.103 0.000 2.462 178 A HA 0.125 4.446 4.320 0.003 0.000 0.243 178 A C 0.190 177.740 177.584 -0.057 0.000 1.076 178 A CA 0.201 52.195 52.037 -0.072 0.000 0.773 178 A CB -0.070 18.895 19.000 -0.059 0.000 1.010 178 A HN 0.963 nan 8.150 nan 0.000 0.493 179 D N -1.103 119.271 120.400 -0.043 0.000 2.394 179 D HA -0.124 4.518 4.640 0.003 0.000 0.169 179 D C -0.089 176.196 176.300 -0.025 0.000 1.214 179 D CA 2.027 56.009 54.000 -0.029 0.000 1.131 179 D CB -0.924 39.860 40.800 -0.027 0.000 1.157 179 D HN 0.538 nan 8.370 nan 0.000 0.455 180 K N 2.014 122.393 120.400 -0.035 0.000 2.298 180 K HA 0.351 4.673 4.320 0.003 0.000 0.280 180 K C -2.057 174.540 176.600 -0.005 0.000 1.032 180 K CA -1.359 54.913 56.287 -0.025 0.000 0.958 180 K CB 0.213 32.686 32.500 -0.045 0.000 0.978 180 K HN 0.133 nan 8.250 nan 0.000 0.472 181 P HA 0.115 nan 4.420 nan 0.000 0.271 181 P C -0.618 176.726 177.300 0.073 0.000 1.216 181 P CA -0.377 62.746 63.100 0.040 0.000 0.776 181 P CB 0.673 32.396 31.700 0.039 0.000 0.881 182 c N 5.619 124.290 118.600 0.119 0.000 2.647 182 c HA 0.243 4.815 4.570 0.003 0.000 0.273 182 c C -0.689 173.558 174.090 0.262 0.000 1.088 182 c CA -1.225 55.243 56.329 0.233 0.000 1.529 182 c CB 0.543 43.238 42.510 0.308 0.000 1.810 182 c HN 0.552 nan 8.230 nan 0.000 0.422 183 P HA -0.090 nan 4.420 nan 0.000 0.217 183 P C 1.565 178.925 177.300 0.100 0.000 1.151 183 P CA 1.043 64.211 63.100 0.112 0.000 0.828 183 P CB 0.360 32.101 31.700 0.069 0.000 0.788 184 I N -0.699 119.892 120.570 0.034 0.000 2.315 184 I HA -0.235 3.937 4.170 0.003 0.000 0.251 184 I C 1.880 177.922 176.117 -0.126 0.000 1.125 184 I CA 1.540 62.772 61.300 -0.114 0.000 1.392 184 I CB -0.712 37.105 38.000 -0.304 0.000 1.065 184 I HN -0.245 nan 8.210 nan 0.000 0.424 185 F N -0.080 119.939 119.950 0.114 0.000 2.748 185 F HA -0.033 4.496 4.527 0.003 0.000 0.299 185 F C 1.737 177.586 175.800 0.082 0.000 1.154 185 F CA 0.484 58.554 58.000 0.118 0.000 1.446 185 F CB -0.250 38.807 39.000 0.095 0.000 1.112 185 F HN 0.117 nan 8.300 nan 0.000 0.584 186 D N -1.267 119.251 120.400 0.196 0.000 2.417 186 D HA 0.023 4.665 4.640 0.003 0.000 0.207 186 D C 1.025 177.369 176.300 0.074 0.000 1.075 186 D CA 0.531 54.599 54.000 0.113 0.000 0.851 186 D CB -0.164 40.692 40.800 0.094 0.000 0.976 186 D HN 0.109 nan 8.370 nan 0.000 0.505 187 T N 0.152 114.761 114.554 0.091 0.000 2.884 187 T HA 0.439 4.791 4.350 0.003 0.000 0.298 187 T C -2.552 172.220 174.700 0.120 0.000 0.998 187 T CA -1.557 60.596 62.100 0.087 0.000 1.124 187 T CB 1.714 70.631 68.868 0.082 0.000 0.931 187 T HN -0.269 nan 8.240 nan 0.000 0.531 188 P HA 0.206 nan 4.420 nan 0.000 0.273 188 P C -0.805 176.671 177.300 0.294 0.000 1.250 188 P CA -0.564 62.589 63.100 0.089 0.000 0.793 188 P CB 0.337 32.065 31.700 0.047 0.000 1.011 189 W N 2.113 123.410 121.300 -0.005 0.000 2.308 189 W HA 0.363 5.025 4.660 0.003 0.000 0.311 189 W C 0.415 176.928 176.519 -0.010 0.000 1.088 189 W CA -0.146 57.193 57.345 -0.010 0.000 1.309 189 W CB -0.173 29.283 29.460 -0.006 0.000 1.229 189 W HN 0.153 nan 8.180 nan 0.000 0.427 190 R N 1.709 122.310 120.500 0.168 0.000 2.711 190 R HA 0.613 4.955 4.340 0.003 0.000 0.284 190 R C -0.756 175.566 176.300 0.036 0.000 0.968 190 R CA -1.299 54.853 56.100 0.087 0.000 0.924 190 R CB 1.956 32.290 30.300 0.056 0.000 1.162 190 R HN -0.003 nan 8.270 nan 0.000 0.465 191 V N 2.293 122.221 119.914 0.023 0.000 2.470 191 V HA 0.096 4.218 4.120 0.003 0.000 0.276 191 V C 0.309 176.396 176.094 -0.011 0.000 1.040 191 V CA 0.225 62.522 62.300 -0.006 0.000 1.008 191 V CB 0.419 32.241 31.823 -0.003 0.000 0.990 191 V HN 0.700 nan 8.190 nan 0.000 0.477 192 E N 3.539 123.723 120.200 -0.026 0.000 2.238 192 E HA 0.556 4.908 4.350 0.003 0.000 0.267 192 E C -0.796 175.786 176.600 -0.029 0.000 0.887 192 E CA -0.695 55.690 56.400 -0.024 0.000 0.769 192 E CB 2.611 32.293 29.700 -0.029 0.000 1.187 192 E HN 0.730 nan 8.360 nan 0.000 0.416 193 Q N 1.912 121.698 119.800 -0.023 0.000 2.337 193 Q HA 0.355 4.697 4.340 0.003 0.000 0.270 193 Q C -0.944 175.043 176.000 -0.022 0.000 1.043 193 Q CA -0.593 55.197 55.803 -0.023 0.000 0.794 193 Q CB 1.567 30.296 28.738 -0.016 0.000 1.281 193 Q HN 0.648 nan 8.270 nan 0.000 0.446 194 S N 2.441 118.126 115.700 -0.025 0.000 2.655 194 S HA 0.216 4.688 4.470 0.003 0.000 0.265 194 S C 0.845 175.433 174.600 -0.020 0.000 1.240 194 S CA -0.486 57.699 58.200 -0.025 0.000 0.986 194 S CB 1.209 64.391 63.200 -0.031 0.000 0.985 194 S HN 0.776 nan 8.310 nan 0.000 0.562 195 K N 1.023 121.411 120.400 -0.019 0.000 2.211 195 K HA -0.101 4.221 4.320 0.003 0.000 0.204 195 K C 2.117 178.707 176.600 -0.016 0.000 1.047 195 K CA 1.860 58.137 56.287 -0.017 0.000 0.935 195 K CB -0.850 31.640 32.500 -0.017 0.000 0.728 195 K HN 0.743 nan 8.250 nan 0.000 0.452 196 S N -1.758 113.931 115.700 -0.019 0.000 2.562 196 S HA 0.121 4.593 4.470 0.003 0.000 0.221 196 S C 1.462 176.054 174.600 -0.013 0.000 0.975 196 S CA 0.577 58.766 58.200 -0.019 0.000 0.918 196 S CB -0.104 63.080 63.200 -0.025 0.000 0.772 196 S HN 0.518 nan 8.310 nan 0.000 0.531 197 G N 0.973 109.767 108.800 -0.011 0.000 2.175 197 G HA2 -0.241 3.721 3.960 0.003 0.000 0.244 197 G HA3 -0.241 3.721 3.960 0.003 0.000 0.244 197 G C -0.067 174.831 174.900 -0.004 0.000 0.982 197 G CA -0.005 45.094 45.100 -0.002 0.000 0.641 197 G HN 0.572 nan 8.290 nan 0.000 0.527 198 K N 2.041 122.431 120.400 -0.017 0.000 2.412 198 K HA 0.392 4.714 4.320 0.003 0.000 0.281 198 K C 0.813 177.393 176.600 -0.032 0.000 1.027 198 K CA 0.870 57.140 56.287 -0.028 0.000 0.989 198 K CB 0.506 32.981 32.500 -0.042 0.000 0.935 198 K HN 0.432 nan 8.250 nan 0.000 0.475 199 T N -0.292 114.241 114.554 -0.034 0.000 2.867 199 T HA 0.492 4.844 4.350 0.003 0.000 0.282 199 T C 0.158 174.817 174.700 -0.069 0.000 1.000 199 T CA -0.821 61.254 62.100 -0.042 0.000 1.042 199 T CB 1.544 70.396 68.868 -0.027 0.000 0.973 199 T HN 0.637 nan 8.240 nan 0.000 0.465 200 T N -0.441 114.067 114.554 -0.077 0.000 2.812 200 T HA 0.691 5.043 4.350 0.003 0.000 0.294 200 T C -1.034 173.597 174.700 -0.115 0.000 1.159 200 T CA -1.088 60.946 62.100 -0.109 0.000 1.008 200 T CB 1.337 70.137 68.868 -0.112 0.000 1.289 200 T HN 0.591 nan 8.240 nan 0.000 0.514 201 I N 2.677 123.145 120.570 -0.170 0.000 2.389 201 I HA 0.352 4.523 4.170 0.003 0.000 0.288 201 I C 0.908 176.876 176.117 -0.248 0.000 0.999 201 I CA -0.680 60.500 61.300 -0.201 0.000 1.129 201 I CB 1.247 39.070 38.000 -0.295 0.000 1.288 201 I HN 1.030 nan 8.210 nan 0.000 0.444 202 S N 4.032 119.647 115.700 -0.141 0.000 2.552 202 S HA 0.390 4.862 4.470 0.003 0.000 0.289 202 S C 1.229 175.731 174.600 -0.163 0.000 1.304 202 S CA 0.393 58.534 58.200 -0.098 0.000 1.063 202 S CB 1.082 64.283 63.200 0.002 0.000 0.848 202 S HN 1.285 nan 8.310 nan 0.000 0.499 203 G N 2.670 111.387 108.800 -0.140 0.000 4.655 203 G HA2 -0.364 3.597 3.960 0.003 0.000 0.220 203 G HA3 -0.364 3.597 3.960 0.003 0.000 0.220 203 G C 0.677 175.362 174.900 -0.359 0.000 1.403 203 G CA 0.564 45.592 45.100 -0.120 0.000 0.931 203 G HN 1.219 nan 8.290 nan 0.000 0.654 204 L N 1.694 122.379 121.223 -0.895 0.000 1.989 204 L HA 0.076 4.418 4.340 0.003 0.000 0.211 204 L C 2.930 179.525 176.870 -0.458 0.000 1.071 204 L CA 3.486 57.746 54.840 -0.966 0.000 0.749 204 L CB -0.912 40.255 42.059 -1.485 0.000 0.890 204 L HN 0.481 nan 8.230 nan 0.000 0.431 205 S N -0.986 114.489 115.700 -0.376 0.000 2.359 205 S HA -0.178 4.294 4.470 0.003 0.000 0.224 205 S C 1.966 176.460 174.600 -0.176 0.000 1.035 205 S CA 1.533 59.590 58.200 -0.238 0.000 1.018 205 S CB -0.654 62.423 63.200 -0.206 0.000 0.876 205 S HN 0.360 nan 8.310 nan 0.000 0.448 206 V N 1.970 121.778 119.914 -0.178 0.000 2.490 206 V HA -0.158 3.964 4.120 0.003 0.000 0.250 206 V C 2.220 178.238 176.094 -0.127 0.000 1.061 206 V CA 1.556 63.767 62.300 -0.148 0.000 1.064 206 V CB -0.663 31.073 31.823 -0.146 0.000 0.670 206 V HN 0.462 nan 8.190 nan 0.000 0.461 207 M N -0.346 119.169 119.600 -0.141 0.000 2.175 207 M HA -0.123 4.359 4.480 0.003 0.000 0.264 207 M C 2.333 178.639 176.300 0.010 0.000 1.063 207 M CA 1.937 57.201 55.300 -0.060 0.000 1.119 207 M CB -0.452 32.123 32.600 -0.042 0.000 1.377 207 M HN 0.410 nan 8.290 nan 0.000 0.415 208 A N 0.730 123.528 122.820 -0.037 0.000 1.930 208 A HA -0.162 4.159 4.320 0.003 0.000 0.217 208 A C 1.670 179.274 177.584 0.035 0.000 1.175 208 A CA 1.897 53.943 52.037 0.015 0.000 0.627 208 A CB -1.032 17.961 19.000 -0.011 0.000 0.815 208 A HN 0.613 nan 8.150 nan 0.000 0.443 209 N N -0.625 118.063 118.700 -0.020 0.000 2.188 209 N HA -0.103 4.639 4.740 0.003 0.000 0.184 209 N C 1.814 177.305 175.510 -0.032 0.000 1.018 209 N CA 1.478 54.505 53.050 -0.038 0.000 0.858 209 N CB -0.264 38.161 38.487 -0.102 0.000 0.989 209 N HN 0.471 nan 8.380 nan 0.000 0.426 210 M N 0.350 119.947 119.600 -0.005 0.000 2.086 210 M HA -0.131 4.351 4.480 0.003 0.000 0.261 210 M C 2.117 178.560 176.300 0.237 0.000 1.067 210 M CA 1.227 56.589 55.300 0.104 0.000 1.116 210 M CB -0.230 32.535 32.600 0.276 0.000 1.348 210 M HN 0.001 nan 8.290 nan 0.000 0.407 211 V N 0.246 120.279 119.914 0.197 0.000 2.295 211 V HA -0.253 3.869 4.120 0.003 0.000 0.246 211 V C 2.270 178.478 176.094 0.191 0.000 1.049 211 V CA 2.221 64.642 62.300 0.202 0.000 1.024 211 V CB -0.799 31.122 31.823 0.163 0.000 0.648 211 V HN 0.452 nan 8.190 nan 0.000 0.447 212 E N 0.511 120.803 120.200 0.153 0.000 2.110 212 E HA -0.186 4.165 4.350 0.003 0.000 0.193 212 E C 2.133 178.839 176.600 0.176 0.000 0.988 212 E CA 2.016 58.507 56.400 0.150 0.000 0.804 212 E CB -0.442 29.331 29.700 0.122 0.000 0.745 212 E HN 0.603 nan 8.360 nan 0.000 0.458 213 T N 0.651 115.309 114.554 0.172 0.000 2.777 213 T HA -0.053 4.298 4.350 0.003 0.000 0.266 213 T C 1.796 176.732 174.700 0.393 0.000 1.040 213 T CA 1.201 63.442 62.100 0.235 0.000 1.141 213 T CB -0.199 68.755 68.868 0.144 0.000 0.868 213 T HN 0.130 nan 8.240 nan 0.000 0.444 214 L N 0.777 122.242 121.223 0.402 0.000 2.046 214 L HA -0.050 4.292 4.340 0.003 0.000 0.208 214 L C 2.983 180.042 176.870 0.316 0.000 1.077 214 L CA 1.092 56.150 54.840 0.363 0.000 0.747 214 L CB -0.532 41.718 42.059 0.318 0.000 0.896 214 L HN 0.125 nan 8.230 nan 0.000 0.432 215 R N 1.142 121.809 120.500 0.279 0.000 2.081 215 R HA -0.148 4.194 4.340 0.003 0.000 0.235 215 R C 2.150 178.648 176.300 0.330 0.000 1.131 215 R CA 1.571 57.839 56.100 0.280 0.000 0.960 215 R CB -0.490 29.954 30.300 0.239 0.000 0.856 215 R HN 0.363 nan 8.270 nan 0.000 0.436 216 L N -0.121 121.294 121.223 0.321 0.000 2.056 216 L HA -0.055 4.286 4.340 0.003 0.000 0.207 216 L C 2.653 179.773 176.870 0.416 0.000 1.078 216 L CA 1.372 56.427 54.840 0.358 0.000 0.749 216 L CB -0.839 41.420 42.059 0.334 0.000 0.901 216 L HN 0.377 nan 8.230 nan 0.000 0.433 217 G N -0.534 108.528 108.800 0.436 0.000 2.440 217 G HA2 -0.304 3.657 3.960 0.003 0.000 0.218 217 G HA3 -0.304 3.657 3.960 0.003 0.000 0.218 217 G C 1.386 176.280 174.900 -0.012 0.000 1.154 217 G CA 0.452 45.627 45.100 0.125 0.000 0.767 217 G HN 0.485 nan 8.290 nan 0.000 0.552 218 W N 1.682 122.974 121.300 -0.013 0.000 2.332 218 W HA -0.157 4.505 4.660 0.003 0.000 0.321 218 W C 2.466 178.948 176.519 -0.062 0.000 1.219 218 W CA 1.854 59.173 57.345 -0.043 0.000 1.277 218 W CB -0.613 28.852 29.460 0.009 0.000 1.161 218 W HN 0.300 nan 8.180 nan 0.000 0.476 219 S N 0.583 116.390 115.700 0.179 0.000 2.420 219 S HA -0.287 4.184 4.470 0.003 0.000 0.237 219 S C 1.366 175.857 174.600 -0.181 0.000 1.023 219 S CA 1.992 60.247 58.200 0.091 0.000 0.991 219 S CB -0.471 62.874 63.200 0.241 0.000 0.792 219 S HN 0.342 nan 8.310 nan 0.000 0.488 220 E N 1.969 121.992 120.200 -0.295 0.000 2.418 220 E HA -0.098 4.254 4.350 0.003 0.000 0.197 220 E C 0.628 176.599 176.600 -1.049 0.000 1.026 220 E CA 0.429 56.457 56.400 -0.620 0.000 0.862 220 E CB -0.373 29.058 29.700 -0.448 0.000 0.799 220 E HN 0.327 nan 8.360 nan 0.000 0.518 221 N N -0.367 117.866 118.700 -0.779 0.000 2.754 221 N HA -0.203 4.538 4.740 0.003 0.000 0.248 221 N C -1.138 174.069 175.510 -0.505 0.000 1.093 221 N CA 0.602 53.289 53.050 -0.605 0.000 0.699 221 N CB -1.738 36.497 38.487 -0.420 0.000 1.016 221 N HN 0.304 nan 8.380 nan 0.000 0.552 222 L N 0.160 121.053 121.223 -0.550 0.000 2.514 222 L HA 0.157 4.499 4.340 0.003 0.000 0.280 222 L C -1.261 175.379 176.870 -0.384 0.000 1.223 222 L CA -1.141 53.393 54.840 -0.510 0.000 0.864 222 L CB 0.073 41.763 42.059 -0.615 0.000 1.118 222 L HN 0.120 nan 8.230 nan 0.000 0.494 223 P HA -0.018 nan 4.420 nan 0.000 0.267 223 P C 0.800 177.967 177.300 -0.221 0.000 1.200 223 P CA -0.099 62.859 63.100 -0.237 0.000 0.772 223 P CB 0.513 32.098 31.700 -0.192 0.000 0.855 224 L N 1.505 122.632 121.223 -0.161 0.000 2.127 224 L HA -0.207 4.135 4.340 0.003 0.000 0.211 224 L C 2.271 179.067 176.870 -0.123 0.000 1.089 224 L CA 2.181 56.960 54.840 -0.101 0.000 0.757 224 L CB -1.002 41.038 42.059 -0.031 0.000 0.899 224 L HN 0.479 nan 8.230 nan 0.000 0.434 225 S N -0.790 114.834 115.700 -0.127 0.000 2.423 225 S HA -0.214 4.258 4.470 0.003 0.000 0.231 225 S C 1.729 176.172 174.600 -0.262 0.000 1.014 225 S CA 0.868 58.989 58.200 -0.131 0.000 0.965 225 S CB -0.176 62.975 63.200 -0.083 0.000 0.785 225 S HN 0.542 nan 8.310 nan 0.000 0.495 226 Q N -0.410 119.208 119.800 -0.303 0.000 2.356 226 Q HA 0.342 4.684 4.340 0.003 0.000 0.205 226 Q C 1.642 177.349 176.000 -0.488 0.000 0.901 226 Q CA -0.001 55.560 55.803 -0.403 0.000 0.938 226 Q CB 0.129 28.674 28.738 -0.322 0.000 1.081 226 Q HN 0.491 nan 8.270 nan 0.000 0.517 227 L N -0.092 120.892 121.223 -0.399 0.000 2.056 227 L HA 0.208 4.550 4.340 0.003 0.000 0.202 227 L C 0.587 177.192 176.870 -0.442 0.000 1.086 227 L CA 1.817 56.477 54.840 -0.300 0.000 0.758 227 L CB -0.115 41.875 42.059 -0.115 0.000 0.912 227 L HN -0.043 nan 8.230 nan 0.000 0.446 228 A N -2.294 120.305 122.820 -0.368 0.000 3.176 228 A HA 0.307 4.629 4.320 0.003 0.000 0.265 228 A C -0.730 176.867 177.584 0.022 0.000 0.936 228 A CA -0.440 51.410 52.037 -0.311 0.000 1.033 228 A CB -0.699 18.287 19.000 -0.024 0.000 1.158 228 A HN 0.475 nan 8.150 nan 0.000 0.485 229 W N -0.216 120.997 121.300 -0.146 0.000 6.170 229 W HA -0.289 4.372 4.660 0.002 0.000 0.394 229 W C 1.201 177.678 176.519 -0.070 0.000 1.480 229 W CA 1.270 58.550 57.345 -0.107 0.000 1.027 229 W CB -2.067 27.320 29.460 -0.121 0.000 2.638 229 W HN 1.690 nan 8.180 nan 0.000 1.547 230 G N -1.171 107.655 108.800 0.042 0.000 2.205 230 G HA2 -0.401 3.560 3.960 0.003 0.000 0.261 230 G HA3 -0.401 3.560 3.960 0.003 0.000 0.261 230 G C 1.242 176.174 174.900 0.053 0.000 0.980 230 G CA 0.796 45.919 45.100 0.039 0.000 0.632 230 G HN 0.254 nan 8.290 nan 0.000 0.533 231 K N -0.105 120.339 120.400 0.073 0.000 2.296 231 K HA 0.269 4.591 4.320 0.003 0.000 0.200 231 K C 1.219 177.848 176.600 0.048 0.000 1.048 231 K CA 0.488 56.811 56.287 0.061 0.000 0.966 231 K CB 0.322 32.868 32.500 0.076 0.000 0.754 231 K HN 0.543 nan 8.250 nan 0.000 0.466 232 I N 0.954 121.559 120.570 0.058 0.000 2.328 232 I HA 0.127 4.298 4.170 0.003 0.000 0.287 232 I C 0.559 176.756 176.117 0.133 0.000 1.012 232 I CA -0.325 61.010 61.300 0.059 0.000 1.195 232 I CB 1.712 39.751 38.000 0.066 0.000 1.350 232 I HN -0.092 nan 8.210 nan 0.000 0.464 233 A N 6.156 129.036 122.820 0.101 0.000 2.324 233 A HA 0.229 4.551 4.320 0.003 0.000 0.220 233 A C 0.383 178.115 177.584 0.247 0.000 1.209 233 A CA 0.127 52.271 52.037 0.178 0.000 0.918 233 A CB 0.394 19.449 19.000 0.091 0.000 0.959 233 A HN 0.720 nan 8.150 nan 0.000 0.507 234 Q N -2.727 117.072 119.800 -0.001 0.000 2.418 234 Q HA 0.708 5.050 4.340 0.003 0.000 0.282 234 Q C 0.361 175.954 176.000 -0.678 0.000 1.044 234 Q CA -0.312 55.425 55.803 -0.109 0.000 0.813 234 Q CB 1.586 30.313 28.738 -0.018 0.000 1.428 234 Q HN 0.154 nan 8.270 nan 0.000 0.402 235 A N 1.724 124.112 122.820 -0.720 0.000 1.948 235 A HA -0.260 4.062 4.320 0.003 0.000 0.220 235 A C 2.090 179.325 177.584 -0.582 0.000 1.177 235 A CA 2.644 54.112 52.037 -0.948 0.000 0.636 235 A CB -0.985 17.806 19.000 -0.348 0.000 0.815 235 A HN 0.951 nan 8.150 nan 0.000 0.449 236 S N -0.592 114.906 115.700 -0.337 0.000 2.419 236 S HA -0.247 4.225 4.470 0.003 0.000 0.233 236 S C 1.869 176.345 174.600 -0.208 0.000 1.016 236 S CA 1.376 59.445 58.200 -0.218 0.000 0.974 236 S CB -0.527 62.595 63.200 -0.130 0.000 0.786 236 S HN 0.711 nan 8.310 nan 0.000 0.492 237 Q N 0.279 119.930 119.800 -0.249 0.000 2.124 237 Q HA -0.002 4.340 4.340 0.003 0.000 0.202 237 Q C 2.072 177.967 176.000 -0.176 0.000 0.977 237 Q CA 1.304 57.000 55.803 -0.179 0.000 0.850 237 Q CB -0.293 28.350 28.738 -0.158 0.000 0.901 237 Q HN 0.507 nan 8.270 nan 0.000 0.429 238 I N 0.467 120.855 120.570 -0.303 0.000 2.202 238 I HA -0.212 3.960 4.170 0.003 0.000 0.242 238 I C 2.159 178.201 176.117 -0.124 0.000 1.091 238 I CA 1.467 62.640 61.300 -0.212 0.000 1.368 238 I CB -1.449 36.346 38.000 -0.340 0.000 1.058 238 I HN 0.196 nan 8.210 nan 0.000 0.410 239 T N 1.546 115.994 114.554 -0.178 0.000 2.737 239 T HA -0.170 4.182 4.350 0.003 0.000 0.269 239 T C 1.906 176.582 174.700 -0.040 0.000 1.040 239 T CA 1.645 63.680 62.100 -0.108 0.000 1.142 239 T CB -0.288 68.491 68.868 -0.148 0.000 0.861 239 T HN 0.477 nan 8.240 nan 0.000 0.456 240 A N 0.511 123.303 122.820 -0.047 0.000 2.119 240 A HA 0.181 4.503 4.320 0.003 0.000 0.217 240 A C 2.126 179.727 177.584 0.028 0.000 1.153 240 A CA 0.771 52.803 52.037 -0.009 0.000 0.692 240 A CB -0.487 18.502 19.000 -0.019 0.000 0.799 240 A HN 0.509 nan 8.150 nan 0.000 0.458 241 L N -1.045 120.199 121.223 0.037 0.000 2.416 241 L HA 0.090 4.432 4.340 0.003 0.000 0.216 241 L C 2.027 178.955 176.870 0.096 0.000 1.098 241 L CA 0.147 55.037 54.840 0.083 0.000 0.840 241 L CB -0.299 41.820 42.059 0.100 0.000 0.981 241 L HN 0.313 nan 8.230 nan 0.000 0.462 242 L N 0.339 121.611 121.223 0.080 0.000 2.265 242 L HA -0.124 4.218 4.340 0.003 0.000 0.215 242 L C -0.374 176.549 176.870 0.087 0.000 1.117 242 L CA 0.945 55.841 54.840 0.094 0.000 0.782 242 L CB -1.501 40.624 42.059 0.110 0.000 0.914 242 L HN 0.219 nan 8.230 nan 0.000 0.441 243 P HA -0.183 nan 4.420 nan 0.000 0.219 243 P C 1.823 179.185 177.300 0.104 0.000 1.146 243 P CA 1.273 64.423 63.100 0.084 0.000 0.808 243 P CB 0.080 31.829 31.700 0.082 0.000 0.779 244 L N -1.800 119.497 121.223 0.123 0.000 2.201 244 L HA -0.149 4.193 4.340 0.003 0.000 0.212 244 L C 2.224 179.146 176.870 0.087 0.000 1.105 244 L CA 0.837 55.754 54.840 0.128 0.000 0.775 244 L CB -0.695 41.455 42.059 0.152 0.000 0.913 244 L HN 0.022 nan 8.230 nan 0.000 0.440 245 L N -0.994 120.287 121.223 0.098 0.000 2.095 245 L HA -0.101 4.241 4.340 0.003 0.000 0.204 245 L C 2.418 179.369 176.870 0.136 0.000 1.080 245 L CA 1.882 56.794 54.840 0.119 0.000 0.759 245 L CB -0.679 41.439 42.059 0.098 0.000 0.914 245 L HN 0.074 nan 8.230 nan 0.000 0.439 246 T N -0.603 113.992 114.554 0.068 0.000 2.720 246 T HA -0.231 4.121 4.350 0.003 0.000 0.268 246 T C 1.719 176.466 174.700 0.079 0.000 1.037 246 T CA 1.694 63.820 62.100 0.042 0.000 1.144 246 T CB -0.130 68.744 68.868 0.010 0.000 0.864 246 T HN 0.354 nan 8.240 nan 0.000 0.444 247 E N 1.452 121.695 120.200 0.072 0.000 2.058 247 E HA -0.121 4.231 4.350 0.003 0.000 0.194 247 E C 2.115 178.724 176.600 0.014 0.000 0.997 247 E CA 1.274 57.708 56.400 0.057 0.000 0.801 247 E CB -0.349 29.402 29.700 0.084 0.000 0.746 247 E HN 0.490 nan 8.360 nan 0.000 0.450 248 N N -1.425 117.275 118.700 -0.000 0.000 2.188 248 N HA -0.166 4.576 4.740 0.003 0.000 0.184 248 N C 1.558 177.034 175.510 -0.056 0.000 1.018 248 N CA 0.837 53.845 53.050 -0.070 0.000 0.858 248 N CB -0.100 38.332 38.487 -0.092 0.000 0.989 248 N HN 0.202 nan 8.380 nan 0.000 0.426 249 Y N 1.826 122.085 120.300 -0.069 0.000 2.181 249 Y HA -0.163 4.389 4.550 0.003 0.000 0.288 249 Y C 2.193 178.052 175.900 -0.069 0.000 1.146 249 Y CA 1.311 59.370 58.100 -0.068 0.000 1.164 249 Y CB -0.366 38.049 38.460 -0.075 0.000 0.982 249 Y HN 0.095 nan 8.280 nan 0.000 0.515 250 D N -0.126 120.317 120.400 0.072 0.000 2.133 250 D HA -0.164 4.478 4.640 0.003 0.000 0.195 250 D C 1.676 177.972 176.300 -0.005 0.000 0.997 250 D CA 1.395 55.407 54.000 0.019 0.000 0.840 250 D CB -0.307 40.505 40.800 0.019 0.000 0.947 250 D HN 0.320 nan 8.370 nan 0.000 0.452 251 L N 0.115 121.323 121.223 -0.026 0.000 2.611 251 L HA 0.104 4.446 4.340 0.003 0.000 0.229 251 L C 1.510 178.339 176.870 -0.069 0.000 1.137 251 L CA -0.037 54.779 54.840 -0.040 0.000 0.901 251 L CB -0.030 42.000 42.059 -0.049 0.000 1.098 251 L HN 0.025 nan 8.230 nan 0.000 0.456 252 S N -1.950 113.691 115.700 -0.100 0.000 3.799 252 S HA 0.057 4.529 4.470 0.003 0.000 0.170 252 S C 1.182 175.711 174.600 -0.118 0.000 0.840 252 S CA -0.070 58.051 58.200 -0.131 0.000 1.025 252 S CB -0.049 63.020 63.200 -0.218 0.000 1.455 252 S HN 0.162 nan 8.310 nan 0.000 0.804 253 N N 2.434 121.022 118.700 -0.187 0.000 2.244 253 N HA 0.038 4.780 4.740 0.003 0.000 0.183 253 N C 0.308 175.795 175.510 -0.037 0.000 1.016 253 N CA 1.350 54.330 53.050 -0.117 0.000 0.866 253 N CB -0.122 38.275 38.487 -0.150 0.000 0.980 253 N HN 0.457 nan 8.380 nan 0.000 0.430 254 D N 0.242 120.631 120.400 -0.019 0.000 2.328 254 D HA 0.053 4.695 4.640 0.003 0.000 0.221 254 D C -0.238 176.057 176.300 -0.009 0.000 1.072 254 D CA 0.136 54.130 54.000 -0.009 0.000 0.850 254 D CB 0.248 41.043 40.800 -0.007 0.000 0.922 254 D HN 0.000 nan 8.370 nan 0.000 0.516 255 V N 2.227 122.138 119.914 -0.005 0.000 2.521 255 V HA -0.073 4.049 4.120 0.003 0.000 0.286 255 V C 1.666 177.779 176.094 0.032 0.000 1.034 255 V CA -0.274 62.038 62.300 0.021 0.000 1.045 255 V CB 1.401 33.246 31.823 0.037 0.000 0.974 255 V HN 0.013 nan 8.190 nan 0.000 0.480 256 L N 5.810 127.061 121.223 0.046 0.000 1.990 256 L HA -0.197 4.145 4.340 0.003 0.000 0.213 256 L C 1.989 178.892 176.870 0.055 0.000 1.072 256 L CA 2.379 57.246 54.840 0.044 0.000 0.755 256 L CB -1.112 40.979 42.059 0.053 0.000 0.889 256 L HN 0.792 nan 8.230 nan 0.000 0.432 257 Y N 0.216 120.513 120.300 -0.005 0.000 2.128 257 Y HA -0.294 4.258 4.550 0.003 0.000 0.284 257 Y C 2.414 178.311 175.900 -0.005 0.000 1.154 257 Y CA 2.626 60.723 58.100 -0.004 0.000 1.149 257 Y CB -0.927 37.529 38.460 -0.006 0.000 0.976 257 Y HN 0.295 nan 8.280 nan 0.000 0.505 258 T N 0.783 115.276 114.554 -0.102 0.000 2.708 258 T HA -0.188 4.164 4.350 0.003 0.000 0.266 258 T C 2.147 176.739 174.700 -0.180 0.000 1.037 258 T CA 1.613 63.605 62.100 -0.180 0.000 1.146 258 T CB -0.913 67.939 68.868 -0.028 0.000 0.865 258 T HN 0.490 nan 8.240 nan 0.000 0.435 259 A N 1.356 124.116 122.820 -0.101 0.000 1.933 259 A HA -0.155 4.166 4.320 0.003 0.000 0.218 259 A C 2.338 179.866 177.584 -0.093 0.000 1.175 259 A CA 1.427 53.422 52.037 -0.069 0.000 0.628 259 A CB -0.642 18.340 19.000 -0.031 0.000 0.814 259 A HN 0.535 nan 8.150 nan 0.000 0.444 260 Q N -0.504 119.218 119.800 -0.129 0.000 2.020 260 Q HA -0.181 4.161 4.340 0.003 0.000 0.202 260 Q C 2.028 177.925 176.000 -0.173 0.000 0.982 260 Q CA 1.515 57.241 55.803 -0.129 0.000 0.838 260 Q CB -0.176 28.495 28.738 -0.111 0.000 0.899 260 Q HN 0.407 nan 8.270 nan 0.000 0.423 261 K N 0.539 120.751 120.400 -0.312 0.000 2.025 261 K HA -0.078 4.244 4.320 0.003 0.000 0.207 261 K C 1.902 178.415 176.600 -0.145 0.000 1.049 261 K CA 1.234 57.362 56.287 -0.266 0.000 0.933 261 K CB -0.131 32.110 32.500 -0.432 0.000 0.714 261 K HN 0.116 nan 8.250 nan 0.000 0.438 262 R N -0.802 119.619 120.500 -0.132 0.000 2.300 262 R HA 0.073 4.415 4.340 0.003 0.000 0.199 262 R C 1.750 178.037 176.300 -0.022 0.000 0.920 262 R CA 0.487 56.553 56.100 -0.056 0.000 1.046 262 R CB 0.453 30.726 30.300 -0.046 0.000 0.984 262 R HN 0.244 nan 8.270 nan 0.000 0.493 263 G N -1.343 107.435 108.800 -0.036 0.000 2.727 263 G HA2 -0.050 3.912 3.960 0.003 0.000 0.207 263 G HA3 -0.050 3.912 3.960 0.003 0.000 0.207 263 G C 1.095 175.986 174.900 -0.016 0.000 1.060 263 G CA -0.183 44.914 45.100 -0.005 0.000 0.814 263 G HN 0.072 nan 8.290 nan 0.000 0.576 264 S N 0.562 116.239 115.700 -0.038 0.000 2.374 264 S HA -0.177 4.294 4.470 0.003 0.000 0.227 264 S C 2.386 176.960 174.600 -0.044 0.000 1.037 264 S CA 1.356 59.532 58.200 -0.039 0.000 1.024 264 S CB -0.370 62.802 63.200 -0.046 0.000 0.861 264 S HN 0.201 nan 8.310 nan 0.000 0.456 265 V N 1.545 121.424 119.914 -0.057 0.000 2.392 265 V HA -0.144 3.978 4.120 0.003 0.000 0.249 265 V C 2.036 178.081 176.094 -0.082 0.000 1.059 265 V CA 1.738 63.988 62.300 -0.084 0.000 1.051 265 V CB -0.338 31.413 31.823 -0.120 0.000 0.658 265 V HN 0.434 nan 8.190 nan 0.000 0.455 266 L N -0.604 120.589 121.223 -0.050 0.000 2.095 266 L HA 0.025 4.367 4.340 0.003 0.000 0.204 266 L C 2.141 179.015 176.870 0.007 0.000 1.080 266 L CA 2.210 57.040 54.840 -0.017 0.000 0.759 266 L CB -0.838 41.261 42.059 0.067 0.000 0.914 266 L HN 0.397 nan 8.230 nan 0.000 0.439 267 L N 0.112 121.338 121.223 0.005 0.000 2.027 267 L HA -0.187 4.155 4.340 0.003 0.000 0.206 267 L C 2.263 179.120 176.870 -0.021 0.000 1.074 267 L CA 2.091 56.930 54.840 -0.002 0.000 0.745 267 L CB -1.138 40.914 42.059 -0.011 0.000 0.898 267 L HN 0.495 nan 8.230 nan 0.000 0.433 268 N N -0.233 118.448 118.700 -0.031 0.000 2.149 268 N HA -0.184 4.558 4.740 0.003 0.000 0.188 268 N C 1.744 177.233 175.510 -0.035 0.000 1.019 268 N CA 1.629 54.657 53.050 -0.037 0.000 0.857 268 N CB -0.212 38.249 38.487 -0.043 0.000 0.997 268 N HN 0.503 nan 8.380 nan 0.000 0.426 269 A N -0.045 122.752 122.820 -0.039 0.000 1.929 269 A HA -0.028 4.294 4.320 0.003 0.000 0.216 269 A C 2.252 179.830 177.584 -0.009 0.000 1.176 269 A CA 1.134 53.148 52.037 -0.039 0.000 0.628 269 A CB -0.428 18.532 19.000 -0.067 0.000 0.816 269 A HN 0.386 nan 8.150 nan 0.000 0.444 270 M N -0.569 119.035 119.600 0.007 0.000 2.123 270 M HA -0.026 4.456 4.480 0.003 0.000 0.263 270 M C 2.065 178.372 176.300 0.013 0.000 1.069 270 M CA 1.235 56.551 55.300 0.026 0.000 1.133 270 M CB -0.437 32.185 32.600 0.037 0.000 1.356 270 M HN 0.347 nan 8.290 nan 0.000 0.415 271 L N -0.081 121.134 121.223 -0.012 0.000 2.042 271 L HA -0.266 4.075 4.340 0.003 0.000 0.210 271 L C 1.869 178.749 176.870 0.017 0.000 1.076 271 L CA 1.095 55.921 54.840 -0.022 0.000 0.749 271 L CB -0.943 41.082 42.059 -0.056 0.000 0.893 271 L HN 0.309 nan 8.230 nan 0.000 0.432 272 D N -0.015 120.390 120.400 0.009 0.000 2.219 272 D HA -0.100 4.542 4.640 0.003 0.000 0.205 272 D C 2.121 178.437 176.300 0.028 0.000 0.970 272 D CA 1.308 55.319 54.000 0.018 0.000 0.851 272 D CB -0.189 40.607 40.800 -0.007 0.000 0.943 272 D HN 0.347 nan 8.370 nan 0.000 0.488 273 G N 0.334 109.150 108.800 0.027 0.000 2.421 273 G HA2 -0.151 3.810 3.960 0.003 0.000 0.217 273 G HA3 -0.151 3.810 3.960 0.003 0.000 0.217 273 G C 1.620 176.553 174.900 0.055 0.000 1.143 273 G CA 0.232 45.351 45.100 0.032 0.000 0.784 273 G HN 0.275 nan 8.290 nan 0.000 0.541 274 V N -0.004 119.962 119.914 0.087 0.000 3.235 274 V HA 0.243 4.364 4.120 0.003 0.000 0.259 274 V C 1.197 177.418 176.094 0.211 0.000 1.133 274 V CA 0.298 62.681 62.300 0.137 0.000 1.128 274 V CB -0.259 31.659 31.823 0.159 0.000 0.757 274 V HN 0.201 nan 8.190 nan 0.000 0.469 275 K N 1.535 122.066 120.400 0.219 0.000 2.414 275 K HA 0.182 4.504 4.320 0.003 0.000 0.272 275 K C -2.278 174.340 176.600 0.030 0.000 0.993 275 K CA -1.292 55.124 56.287 0.215 0.000 0.964 275 K CB 0.036 32.644 32.500 0.179 0.000 0.925 275 K HN 0.183 nan 8.250 nan 0.000 0.487 276 P HA -0.087 nan 4.420 nan 0.000 0.270 276 P C -0.758 176.520 177.300 -0.036 0.000 1.221 276 P CA 0.350 63.401 63.100 -0.081 0.000 0.788 276 P CB 0.368 31.996 31.700 -0.119 0.000 0.904 277 E N -2.988 117.189 120.200 -0.039 0.000 2.586 277 E HA -0.234 4.118 4.350 0.003 0.000 0.259 277 E C 0.142 176.726 176.600 -0.027 0.000 1.107 277 E CA 1.151 57.532 56.400 -0.031 0.000 0.754 277 E CB -2.343 27.342 29.700 -0.026 0.000 1.335 277 E HN 0.585 nan 8.360 nan 0.000 0.411 278 A N 0.331 123.135 122.820 -0.026 0.000 2.332 278 A HA 0.528 4.850 4.320 0.003 0.000 0.258 278 A C 0.480 178.035 177.584 -0.047 0.000 1.087 278 A CA 0.451 52.472 52.037 -0.027 0.000 0.802 278 A CB 1.109 20.100 19.000 -0.014 0.000 1.042 278 A HN 0.219 nan 8.150 nan 0.000 0.489 279 S N 1.729 117.391 115.700 -0.064 0.000 2.561 279 S HA 0.672 5.144 4.470 0.003 0.000 0.303 279 S C -2.531 171.986 174.600 -0.138 0.000 1.110 279 S CA -1.334 56.809 58.200 -0.096 0.000 1.034 279 S CB 1.034 64.178 63.200 -0.095 0.000 1.010 279 S HN 0.660 nan 8.310 nan 0.000 0.482 280 P HA 0.222 nan 4.420 nan 0.000 0.274 280 P C -0.863 176.379 177.300 -0.096 0.000 1.256 280 P CA -0.618 62.377 63.100 -0.175 0.000 0.795 280 P CB 0.362 31.895 31.700 -0.279 0.000 1.038 281 N N 0.999 119.655 118.700 -0.073 0.000 2.448 281 N HA 0.216 4.958 4.740 0.003 0.000 0.250 281 N C -0.730 174.768 175.510 -0.021 0.000 1.136 281 N CA -0.169 52.856 53.050 -0.042 0.000 0.953 281 N CB -0.816 37.648 38.487 -0.038 0.000 1.251 281 N HN 0.266 nan 8.380 nan 0.000 0.502 282 V N 1.759 121.673 119.914 0.000 0.000 3.007 282 V HA 0.603 4.725 4.120 0.003 0.000 0.311 282 V C 0.881 177.008 176.094 0.054 0.000 1.120 282 V CA -0.956 61.369 62.300 0.042 0.000 0.980 282 V CB 2.072 33.943 31.823 0.081 0.000 1.033 282 V HN 0.240 nan 8.190 nan 0.000 0.429 283 R N 0.675 121.222 120.500 0.079 0.000 2.193 283 R HA 0.147 4.489 4.340 0.003 0.000 0.213 283 R C -0.262 176.110 176.300 0.121 0.000 1.055 283 R CA 0.798 56.930 56.100 0.054 0.000 0.995 283 R CB -0.052 30.270 30.300 0.036 0.000 0.893 283 R HN 0.848 nan 8.270 nan 0.000 0.459 284 W N 0.915 122.196 121.300 -0.031 0.000 2.802 284 W HA 0.335 4.997 4.660 0.003 0.000 0.331 284 W C -1.743 174.808 176.519 0.054 0.000 1.021 284 W CA -2.303 55.028 57.345 -0.023 0.000 1.259 284 W CB 0.476 29.943 29.460 0.012 0.000 1.323 284 W HN -0.205 nan 8.180 nan 0.000 0.432 285 L N 7.892 129.307 121.223 0.320 0.000 2.257 285 L HA 0.574 4.916 4.340 0.003 0.000 0.290 285 L C -1.437 175.516 176.870 0.139 0.000 1.044 285 L CA -0.568 54.378 54.840 0.175 0.000 0.810 285 L CB 0.968 43.121 42.059 0.157 0.000 1.193 285 L HN 0.316 nan 8.230 nan 0.000 0.425 286 L N 6.636 127.832 121.223 -0.045 0.000 2.298 286 L HA 0.579 4.920 4.340 0.003 0.000 0.284 286 L C -1.385 175.496 176.870 0.018 0.000 1.013 286 L CA -0.221 54.573 54.840 -0.076 0.000 0.824 286 L CB 1.249 43.065 42.059 -0.405 0.000 1.221 286 L HN 0.560 nan 8.230 nan 0.000 0.418 287 L N 6.122 127.398 121.223 0.088 0.000 2.313 287 L HA 0.647 4.988 4.340 0.003 0.000 0.283 287 L C -0.830 176.020 176.870 -0.033 0.000 1.013 287 L CA -0.893 54.025 54.840 0.130 0.000 0.816 287 L CB 1.873 44.104 42.059 0.287 0.000 1.236 287 L HN 0.274 nan 8.230 nan 0.000 0.419 288 V N 2.714 122.521 119.914 -0.178 0.000 2.378 288 V HA 0.866 4.988 4.120 0.003 0.000 0.288 288 V C 0.178 175.909 176.094 -0.605 0.000 1.016 288 V CA -0.122 62.005 62.300 -0.289 0.000 0.840 288 V CB 1.072 32.770 31.823 -0.209 0.000 0.994 288 V HN 1.005 nan 8.190 nan 0.000 0.431 289 A N 4.059 126.501 122.820 -0.630 0.000 4.431 289 A HA 0.801 5.122 4.320 0.003 0.000 0.247 289 A C -0.892 176.249 177.584 -0.739 0.000 0.974 289 A CA -0.502 50.970 52.037 -0.942 0.000 0.633 289 A CB 1.200 19.565 19.000 -1.058 0.000 1.698 289 A HN 0.728 nan 8.150 nan 0.000 0.843 290 H N 0.081 119.086 119.070 -0.108 0.000 2.710 290 H HA 0.289 4.847 4.556 0.003 0.000 0.361 290 H C -0.097 175.269 175.328 0.064 0.000 1.175 290 H CA 0.198 56.240 56.048 -0.009 0.000 1.206 290 H CB 1.259 31.025 29.762 0.008 0.000 1.750 290 H HN 0.769 nan 8.280 nan 0.000 0.553 291 D N 0.010 120.545 120.400 0.225 0.000 2.158 291 D HA -0.208 4.434 4.640 0.003 0.000 0.197 291 D C 1.618 178.102 176.300 0.306 0.000 0.995 291 D CA 2.134 56.273 54.000 0.231 0.000 0.846 291 D CB -0.906 40.028 40.800 0.225 0.000 0.941 291 D HN 0.635 nan 8.370 nan 0.000 0.456 292 T N -1.264 113.459 114.554 0.282 0.000 2.720 292 T HA -0.221 4.131 4.350 0.003 0.000 0.268 292 T C 1.700 176.505 174.700 0.176 0.000 1.037 292 T CA 1.618 63.834 62.100 0.193 0.000 1.144 292 T CB -0.954 67.949 68.868 0.059 0.000 0.864 292 T HN 0.273 nan 8.240 nan 0.000 0.444 293 N N 1.365 120.185 118.700 0.200 0.000 2.120 293 N HA 0.080 4.821 4.740 0.003 0.000 0.188 293 N C 1.869 177.486 175.510 0.177 0.000 1.024 293 N CA 1.278 54.445 53.050 0.196 0.000 0.852 293 N CB -0.436 38.196 38.487 0.240 0.000 1.003 293 N HN 0.374 nan 8.380 nan 0.000 0.424 294 I N 0.791 121.472 120.570 0.186 0.000 2.315 294 I HA -0.198 3.974 4.170 0.003 0.000 0.248 294 I C 2.409 178.627 176.117 0.169 0.000 1.117 294 I CA 0.645 62.066 61.300 0.201 0.000 1.404 294 I CB -0.347 37.797 38.000 0.239 0.000 1.071 294 I HN 0.179 nan 8.210 nan 0.000 0.419 295 A N 0.852 123.767 122.820 0.158 0.000 1.877 295 A HA -0.213 4.109 4.320 0.003 0.000 0.216 295 A C 2.366 179.983 177.584 0.055 0.000 1.186 295 A CA 1.614 53.712 52.037 0.102 0.000 0.620 295 A CB -0.556 18.621 19.000 0.295 0.000 0.822 295 A HN 0.313 nan 8.150 nan 0.000 0.443 296 M N -0.838 118.808 119.600 0.076 0.000 2.117 296 M HA -0.125 4.357 4.480 0.003 0.000 0.262 296 M C 2.129 178.453 176.300 0.040 0.000 1.065 296 M CA 1.332 56.656 55.300 0.040 0.000 1.114 296 M CB -0.443 32.179 32.600 0.036 0.000 1.361 296 M HN 0.257 nan 8.290 nan 0.000 0.408 297 V N 1.044 121.002 119.914 0.074 0.000 2.295 297 V HA -0.280 3.842 4.120 0.003 0.000 0.246 297 V C 2.395 178.536 176.094 0.079 0.000 1.049 297 V CA 2.346 64.693 62.300 0.077 0.000 1.024 297 V CB -0.829 31.062 31.823 0.113 0.000 0.648 297 V HN 0.535 nan 8.190 nan 0.000 0.447 298 R N 0.321 120.879 120.500 0.098 0.000 2.115 298 R HA -0.098 4.244 4.340 0.003 0.000 0.230 298 R C 1.972 178.279 176.300 0.012 0.000 1.111 298 R CA 1.956 58.116 56.100 0.100 0.000 0.976 298 R CB -1.688 28.595 30.300 -0.028 0.000 0.870 298 R HN 0.363 nan 8.270 nan 0.000 0.445 299 T N 1.377 115.911 114.554 -0.033 0.000 2.746 299 T HA 0.033 4.384 4.350 0.003 0.000 0.267 299 T C 1.676 176.381 174.700 0.008 0.000 1.039 299 T CA 1.475 63.558 62.100 -0.029 0.000 1.142 299 T CB -0.193 68.657 68.868 -0.030 0.000 0.866 299 T HN 0.126 nan 8.240 nan 0.000 0.444 300 L N 0.234 121.464 121.223 0.011 0.000 2.083 300 L HA -0.021 4.321 4.340 0.003 0.000 0.209 300 L C 2.523 179.399 176.870 0.010 0.000 1.083 300 L CA 1.210 56.055 54.840 0.008 0.000 0.752 300 L CB -0.486 41.572 42.059 -0.002 0.000 0.899 300 L HN 0.330 nan 8.230 nan 0.000 0.433 301 M N -1.072 118.538 119.600 0.016 0.000 2.476 301 M HA -0.130 4.352 4.480 0.003 0.000 0.262 301 M C 0.679 177.032 176.300 0.088 0.000 1.079 301 M CA 0.721 56.011 55.300 -0.015 0.000 1.104 301 M CB -0.393 32.180 32.600 -0.045 0.000 1.409 301 M HN 0.340 nan 8.290 nan 0.000 0.467 302 N N 0.655 119.426 118.700 0.119 0.000 2.740 302 N HA -0.211 4.530 4.740 0.003 0.000 0.248 302 N C -1.075 174.624 175.510 0.315 0.000 1.062 302 N CA -0.235 52.914 53.050 0.164 0.000 0.704 302 N CB -0.554 38.028 38.487 0.159 0.000 0.968 302 N HN 0.218 nan 8.380 nan 0.000 0.547 303 F N 1.719 121.726 119.950 0.094 0.000 2.332 303 F HA 0.505 5.034 4.527 0.003 0.000 0.368 303 F C -0.273 175.525 175.800 -0.003 0.000 1.110 303 F CA -1.093 57.032 58.000 0.209 0.000 1.087 303 F CB 1.164 40.316 39.000 0.254 0.000 1.235 303 F HN -0.029 nan 8.300 nan 0.000 0.470 304 S N 6.545 122.275 115.700 0.051 0.000 2.451 304 S HA 0.736 5.207 4.470 0.003 0.000 0.301 304 S C -1.285 173.190 174.600 -0.208 0.000 1.116 304 S CA -0.368 57.644 58.200 -0.312 0.000 1.093 304 S CB 0.403 63.520 63.200 -0.139 0.000 1.017 304 S HN 0.607 nan 8.310 nan 0.000 0.482 305 W N 3.092 124.198 121.300 -0.323 0.000 2.950 305 W HA 0.717 5.378 4.660 0.003 0.000 0.340 305 W C -0.990 175.462 176.519 -0.111 0.000 1.139 305 W CA -0.999 56.221 57.345 -0.208 0.000 1.188 305 W CB 0.755 30.022 29.460 -0.322 0.000 1.426 305 W HN 0.567 nan 8.180 nan 0.000 0.531 306 Q N 2.774 122.739 119.800 0.275 0.000 2.337 306 Q HA 0.495 4.837 4.340 0.003 0.000 0.260 306 Q C -1.798 174.360 176.000 0.262 0.000 0.982 306 Q CA -0.477 55.469 55.803 0.237 0.000 0.734 306 Q CB 1.282 30.097 28.738 0.128 0.000 1.272 306 Q HN 0.763 nan 8.270 nan 0.000 0.461 307 L N 4.768 126.185 121.223 0.323 0.000 2.357 307 L HA 0.585 4.927 4.340 0.003 0.000 0.273 307 L C -2.008 175.028 176.870 0.275 0.000 1.080 307 L CA -2.360 52.652 54.840 0.287 0.000 0.803 307 L CB 0.824 43.070 42.059 0.311 0.000 1.174 307 L HN 0.541 nan 8.230 nan 0.000 0.443 308 P HA -0.052 nan 4.420 nan 0.000 0.261 308 P C 0.774 178.094 177.300 0.034 0.000 1.165 308 P CA 0.968 64.127 63.100 0.098 0.000 0.759 308 P CB 0.417 32.159 31.700 0.069 0.000 0.772 309 G N 0.911 109.685 108.800 -0.043 0.000 2.148 309 G HA2 -0.250 3.712 3.960 0.003 0.000 0.254 309 G HA3 -0.250 3.712 3.960 0.003 0.000 0.254 309 G C -0.420 174.269 174.900 -0.352 0.000 0.981 309 G CA -0.129 44.844 45.100 -0.212 0.000 0.670 309 G HN 0.461 nan 8.290 nan 0.000 0.528 310 Y N 0.301 120.634 120.300 0.055 0.000 2.553 310 Y HA 0.645 5.197 4.550 0.003 0.000 0.347 310 Y C 0.686 176.622 175.900 0.059 0.000 1.019 310 Y CA -0.653 57.488 58.100 0.068 0.000 1.032 310 Y CB 1.859 40.388 38.460 0.115 0.000 1.284 310 Y HN 0.404 nan 8.280 nan 0.000 0.466 311 S N 1.327 117.164 115.700 0.228 0.000 2.652 311 S HA 0.467 4.939 4.470 0.003 0.000 0.270 311 S C -0.064 174.587 174.600 0.085 0.000 1.243 311 S CA -1.076 57.195 58.200 0.119 0.000 0.999 311 S CB 1.029 64.278 63.200 0.082 0.000 0.973 311 S HN 0.731 nan 8.310 nan 0.000 0.544 312 R N -0.008 120.505 120.500 0.023 0.000 2.537 312 R HA 0.304 4.646 4.340 0.003 0.000 0.281 312 R C 1.335 177.523 176.300 -0.186 0.000 0.988 312 R CA 1.296 57.362 56.100 -0.058 0.000 1.077 312 R CB -0.845 29.414 30.300 -0.069 0.000 0.932 312 R HN 1.399 nan 8.270 nan 0.000 0.409 313 G N 2.945 111.504 108.800 -0.403 0.000 2.155 313 G HA2 -0.343 3.619 3.960 0.003 0.000 0.257 313 G HA3 -0.343 3.619 3.960 0.003 0.000 0.257 313 G C 0.052 174.703 174.900 -0.415 0.000 0.983 313 G CA 0.350 44.975 45.100 -0.791 0.000 0.676 313 G HN 0.803 nan 8.290 nan 0.000 0.528 314 N N 0.264 118.901 118.700 -0.106 0.000 2.513 314 N HA 0.317 5.058 4.740 0.003 0.000 0.268 314 N C 0.175 175.694 175.510 0.015 0.000 1.180 314 N CA 0.048 53.046 53.050 -0.087 0.000 0.948 314 N CB 0.223 38.714 38.487 0.006 0.000 1.083 314 N HN 0.293 nan 8.380 nan 0.000 0.455 315 I N 5.173 125.702 120.570 -0.068 0.000 2.503 315 I HA 0.266 4.438 4.170 0.003 0.000 0.277 315 I C -2.159 173.989 176.117 0.052 0.000 1.078 315 I CA -1.948 59.420 61.300 0.114 0.000 1.184 315 I CB 1.453 39.492 38.000 0.066 0.000 1.353 315 I HN 0.317 nan 8.210 nan 0.000 0.490 316 P HA 0.149 nan 4.420 nan 0.000 0.272 316 P C -2.451 174.868 177.300 0.030 0.000 1.240 316 P CA -1.307 61.765 63.100 -0.046 0.000 0.791 316 P CB -0.297 31.291 31.700 -0.188 0.000 0.978 317 P HA -0.042 nan 4.420 nan 0.000 0.264 317 P C 0.854 178.171 177.300 0.029 0.000 1.193 317 P CA 1.139 64.279 63.100 0.067 0.000 0.763 317 P CB -0.074 31.693 31.700 0.112 0.000 0.810 318 G N 2.095 110.895 108.800 0.000 0.000 2.166 318 G HA2 -0.263 3.698 3.960 0.003 0.000 0.260 318 G HA3 -0.263 3.698 3.960 0.003 0.000 0.260 318 G C 0.386 175.241 174.900 -0.075 0.000 0.986 318 G CA 0.504 45.583 45.100 -0.036 0.000 0.683 318 G HN 0.863 nan 8.290 nan 0.000 0.527 319 S N -0.606 115.039 115.700 -0.092 0.000 2.645 319 S HA 0.821 5.293 4.470 0.003 0.000 0.266 319 S C 0.220 174.695 174.600 -0.208 0.000 1.258 319 S CA 0.680 58.733 58.200 -0.246 0.000 0.990 319 S CB 2.073 65.099 63.200 -0.289 0.000 0.967 319 S HN 2.029 nan 8.310 nan 0.000 0.556 320 S N 0.287 115.745 115.700 -0.403 0.000 2.547 320 S HA 0.572 5.043 4.470 0.003 0.000 0.270 320 S C -1.269 173.217 174.600 -0.190 0.000 1.150 320 S CA -1.036 57.062 58.200 -0.170 0.000 0.850 320 S CB 0.968 64.122 63.200 -0.077 0.000 1.118 320 S HN 0.896 nan 8.310 nan 0.000 0.461 321 L N 2.464 123.715 121.223 0.046 0.000 2.313 321 L HA 0.787 5.129 4.340 0.003 0.000 0.283 321 L C -1.502 175.346 176.870 -0.036 0.000 1.013 321 L CA -0.774 54.129 54.840 0.106 0.000 0.816 321 L CB 1.426 43.641 42.059 0.259 0.000 1.236 321 L HN 0.738 nan 8.230 nan 0.000 0.419 322 V N 5.873 125.640 119.914 -0.246 0.000 2.540 322 V HA 0.462 4.584 4.120 0.003 0.000 0.302 322 V C -0.210 175.714 176.094 -0.284 0.000 1.035 322 V CA -0.591 61.511 62.300 -0.331 0.000 0.873 322 V CB 2.061 33.496 31.823 -0.646 0.000 0.992 322 V HN 0.570 nan 8.190 nan 0.000 0.428 323 L N 4.142 125.306 121.223 -0.098 0.000 2.313 323 L HA 0.663 5.005 4.340 0.003 0.000 0.283 323 L C -0.275 176.620 176.870 0.041 0.000 1.013 323 L CA -0.451 54.377 54.840 -0.020 0.000 0.816 323 L CB 1.759 43.815 42.059 -0.006 0.000 1.236 323 L HN 0.627 nan 8.230 nan 0.000 0.419 324 E N 2.729 123.015 120.200 0.144 0.000 2.210 324 E HA 0.407 4.759 4.350 0.003 0.000 0.266 324 E C -0.935 175.780 176.600 0.192 0.000 0.883 324 E CA -0.849 55.620 56.400 0.115 0.000 0.761 324 E CB 2.919 32.773 29.700 0.257 0.000 1.156 324 E HN 0.366 nan 8.360 nan 0.000 0.412 325 R N 3.321 123.850 120.500 0.047 0.000 2.229 325 R HA 0.299 4.641 4.340 0.003 0.000 0.328 325 R C -1.339 174.963 176.300 0.004 0.000 1.009 325 R CA -0.325 55.867 56.100 0.152 0.000 0.864 325 R CB 0.598 30.934 30.300 0.061 0.000 1.085 325 R HN 0.456 nan 8.270 nan 0.000 0.453 326 W N 2.933 124.359 121.300 0.210 0.000 2.655 326 W HA 0.516 5.177 4.660 0.003 0.000 0.358 326 W C 0.014 176.720 176.519 0.311 0.000 1.100 326 W CA -0.727 56.762 57.345 0.240 0.000 1.195 326 W CB 1.216 30.814 29.460 0.231 0.000 1.403 326 W HN 0.286 nan 8.180 nan 0.000 0.589 327 R N 1.785 122.662 120.500 0.629 0.000 2.621 327 R HA 0.134 4.476 4.340 0.003 0.000 0.284 327 R C -1.272 175.336 176.300 0.513 0.000 0.998 327 R CA -0.690 55.695 56.100 0.475 0.000 0.895 327 R CB 1.599 32.033 30.300 0.222 0.000 1.195 327 R HN 0.459 nan 8.270 nan 0.000 0.450 328 D N 3.169 123.812 120.400 0.406 0.000 2.358 328 D HA 0.091 4.733 4.640 0.003 0.000 0.258 328 D C 0.956 177.220 176.300 -0.060 0.000 1.223 328 D CA 0.354 54.326 54.000 -0.047 0.000 0.886 328 D CB 1.701 42.492 40.800 -0.015 0.000 1.120 328 D HN 0.651 nan 8.370 nan 0.000 0.482 329 A N 5.788 128.519 122.820 -0.148 0.000 1.892 329 A HA -0.238 4.084 4.320 0.003 0.000 0.218 329 A C 2.071 179.605 177.584 -0.082 0.000 1.188 329 A CA 1.426 53.411 52.037 -0.086 0.000 0.631 329 A CB -0.213 18.723 19.000 -0.108 0.000 0.822 329 A HN 0.669 nan 8.150 nan 0.000 0.447 330 K N -0.414 119.908 120.400 -0.131 0.000 1.968 330 K HA -0.112 4.210 4.320 0.003 0.000 0.215 330 K C 2.456 179.030 176.600 -0.044 0.000 1.040 330 K CA 1.695 57.929 56.287 -0.088 0.000 0.959 330 K CB -0.319 32.115 32.500 -0.110 0.000 0.740 330 K HN 0.623 nan 8.250 nan 0.000 0.443 331 S N -0.617 115.065 115.700 -0.029 0.000 2.515 331 S HA -0.002 4.470 4.470 0.003 0.000 0.231 331 S C 1.452 176.070 174.600 0.030 0.000 0.987 331 S CA 0.991 59.200 58.200 0.015 0.000 0.936 331 S CB -0.039 63.193 63.200 0.053 0.000 0.766 331 S HN 0.623 nan 8.310 nan 0.000 0.528 332 G N 0.804 109.624 108.800 0.034 0.000 2.189 332 G HA2 -0.296 3.666 3.960 0.003 0.000 0.267 332 G HA3 -0.296 3.666 3.960 0.003 0.000 0.267 332 G C -0.157 174.784 174.900 0.068 0.000 0.975 332 G CA 0.394 45.519 45.100 0.043 0.000 0.644 332 G HN 0.632 nan 8.290 nan 0.000 0.537 333 E N 0.468 120.735 120.200 0.112 0.000 2.384 333 E HA 0.366 4.717 4.350 0.003 0.000 0.266 333 E C 0.779 177.446 176.600 0.111 0.000 1.012 333 E CA -0.244 56.199 56.400 0.071 0.000 0.901 333 E CB 0.529 30.274 29.700 0.076 0.000 0.967 333 E HN 0.355 nan 8.360 nan 0.000 0.435 334 R N 2.091 122.565 120.500 -0.044 0.000 2.410 334 R HA 0.334 4.676 4.340 0.003 0.000 0.288 334 R C -0.963 175.281 176.300 -0.094 0.000 1.051 334 R CA -0.076 56.034 56.100 0.016 0.000 1.021 334 R CB 0.627 30.822 30.300 -0.176 0.000 1.032 334 R HN 0.436 nan 8.270 nan 0.000 0.481 335 Y N 1.018 121.539 120.300 0.370 0.000 2.605 335 Y HA 0.469 5.021 4.550 0.003 0.000 0.343 335 Y C -0.760 175.444 175.900 0.507 0.000 1.036 335 Y CA -1.086 57.250 58.100 0.393 0.000 1.065 335 Y CB 1.481 40.096 38.460 0.258 0.000 1.288 335 Y HN 0.301 nan 8.280 nan 0.000 0.481 336 L N 2.033 123.599 121.223 0.572 0.000 2.346 336 L HA 0.665 5.007 4.340 0.003 0.000 0.274 336 L C -0.838 176.280 176.870 0.413 0.000 1.007 336 L CA -0.669 54.453 54.840 0.471 0.000 0.818 336 L CB 1.624 43.822 42.059 0.233 0.000 1.284 336 L HN 0.721 nan 8.230 nan 0.000 0.424 337 R N 3.391 124.152 120.500 0.436 0.000 2.599 337 R HA 0.851 5.193 4.340 0.003 0.000 0.295 337 R C -2.012 174.497 176.300 0.349 0.000 0.963 337 R CA -0.571 55.765 56.100 0.394 0.000 0.883 337 R CB 1.745 32.321 30.300 0.460 0.000 1.171 337 R HN 0.504 nan 8.270 nan 0.000 0.450 338 V N 5.474 125.590 119.914 0.338 0.000 2.638 338 V HA 0.578 4.700 4.120 0.003 0.000 0.306 338 V C -1.447 174.816 176.094 0.282 0.000 1.052 338 V CA -0.640 61.747 62.300 0.146 0.000 0.885 338 V CB 1.525 33.282 31.823 -0.110 0.000 0.999 338 V HN 0.858 nan 8.190 nan 0.000 0.424 339 Y N 2.897 123.304 120.300 0.178 0.000 2.677 339 Y HA 0.793 5.345 4.550 0.003 0.000 0.334 339 Y C -1.695 174.410 175.900 0.342 0.000 1.196 339 Y CA -1.691 56.594 58.100 0.309 0.000 1.059 339 Y CB 1.367 39.940 38.460 0.187 0.000 1.315 339 Y HN 0.514 nan 8.280 nan 0.000 0.455 340 F N 3.389 123.492 119.950 0.255 0.000 2.480 340 F HA 0.668 5.197 4.527 0.003 0.000 0.329 340 F C -0.819 174.891 175.800 -0.151 0.000 1.091 340 F CA -0.516 57.308 58.000 -0.292 0.000 0.972 340 F CB 1.845 40.036 39.000 -1.347 0.000 1.150 340 F HN 0.736 nan 8.300 nan 0.000 0.467 341 Q N 4.784 124.022 119.800 -0.938 0.000 2.389 341 Q HA 0.896 5.238 4.340 0.003 0.000 0.277 341 Q C -2.156 173.339 176.000 -0.843 0.000 1.082 341 Q CA -1.263 54.179 55.803 -0.602 0.000 0.810 341 Q CB 2.417 31.041 28.738 -0.190 0.000 1.374 341 Q HN 0.940 nan 8.270 nan 0.000 0.422 342 A N 1.498 124.041 122.820 -0.461 0.000 2.599 342 A HA 0.511 4.833 4.320 0.003 0.000 0.290 342 A C -1.501 176.031 177.584 -0.086 0.000 1.101 342 A CA -0.789 51.065 52.037 -0.305 0.000 0.674 342 A CB 2.088 20.899 19.000 -0.315 0.000 1.277 342 A HN 0.732 nan 8.150 nan 0.000 0.419 343 Q N -0.007 119.794 119.800 0.002 0.000 2.214 343 Q HA 0.519 4.861 4.340 0.003 0.000 0.251 343 Q C 0.582 176.739 176.000 0.261 0.000 0.936 343 Q CA -0.288 55.572 55.803 0.095 0.000 0.894 343 Q CB 1.773 30.552 28.738 0.068 0.000 1.252 343 Q HN 0.991 nan 8.270 nan 0.000 0.448 344 G N 0.623 109.564 108.800 0.235 0.000 2.651 344 G HA2 0.144 4.106 3.960 0.003 0.000 0.260 344 G HA3 0.144 4.106 3.960 0.003 0.000 0.260 344 G C 0.720 175.737 174.900 0.194 0.000 1.216 344 G CA -0.375 44.856 45.100 0.217 0.000 0.913 344 G HN 0.667 nan 8.290 nan 0.000 0.535 345 L N -0.395 120.852 121.223 0.040 0.000 1.989 345 L HA -0.114 4.228 4.340 0.003 0.000 0.211 345 L C 2.424 179.511 176.870 0.361 0.000 1.071 345 L CA 1.507 56.465 54.840 0.197 0.000 0.749 345 L CB -0.171 41.877 42.059 -0.018 0.000 0.890 345 L HN 0.413 nan 8.230 nan 0.000 0.431 346 D N -0.735 119.837 120.400 0.287 0.000 2.234 346 D HA -0.137 4.505 4.640 0.003 0.000 0.205 346 D C 1.802 178.170 176.300 0.114 0.000 0.962 346 D CA 0.727 54.881 54.000 0.257 0.000 0.855 346 D CB -0.155 40.773 40.800 0.213 0.000 0.951 346 D HN 0.248 nan 8.370 nan 0.000 0.500 347 D N 0.305 120.764 120.400 0.098 0.000 2.104 347 D HA -0.102 4.540 4.640 0.003 0.000 0.194 347 D C 2.334 178.670 176.300 0.059 0.000 0.994 347 D CA 0.486 54.510 54.000 0.039 0.000 0.830 347 D CB -0.223 40.610 40.800 0.055 0.000 0.959 347 D HN 0.231 nan 8.370 nan 0.000 0.452 348 L N 0.296 121.596 121.223 0.128 0.000 1.994 348 L HA -0.139 4.203 4.340 0.003 0.000 0.208 348 L C 2.671 179.676 176.870 0.226 0.000 1.071 348 L CA 1.092 56.033 54.840 0.168 0.000 0.745 348 L CB -0.322 41.869 42.059 0.220 0.000 0.892 348 L HN -0.037 nan 8.230 nan 0.000 0.431 349 R N 0.435 120.999 120.500 0.107 0.000 2.105 349 R HA -0.147 4.195 4.340 0.003 0.000 0.239 349 R C 2.175 178.490 176.300 0.024 0.000 1.135 349 R CA 1.400 57.459 56.100 -0.067 0.000 0.967 349 R CB -0.021 30.032 30.300 -0.412 0.000 0.861 349 R HN 0.278 nan 8.270 nan 0.000 0.442 350 R N 0.261 120.763 120.500 0.003 0.000 2.310 350 R HA 0.138 4.480 4.340 0.003 0.000 0.202 350 R C 0.552 176.829 176.300 -0.039 0.000 0.933 350 R CA 0.201 56.282 56.100 -0.032 0.000 1.054 350 R CB 0.056 30.313 30.300 -0.072 0.000 0.985 350 R HN 0.205 nan 8.270 nan 0.000 0.489 351 L N 1.602 122.805 121.223 -0.034 0.000 3.781 351 L HA -0.260 4.082 4.340 0.003 0.000 0.426 351 L C 0.009 176.820 176.870 -0.098 0.000 1.197 351 L CA 0.071 54.835 54.840 -0.126 0.000 0.907 351 L CB -1.397 40.533 42.059 -0.215 0.000 1.812 351 L HN 0.306 nan 8.230 nan 0.000 0.956 352 Q N 1.181 120.926 119.800 -0.093 0.000 2.286 352 Q HA 0.102 4.444 4.340 0.003 0.000 0.290 352 Q C 0.614 176.565 176.000 -0.081 0.000 1.049 352 Q CA 1.253 56.979 55.803 -0.128 0.000 0.923 352 Q CB 0.909 29.533 28.738 -0.191 0.000 1.183 352 Q HN 0.219 nan 8.270 nan 0.000 0.383 353 T N 5.743 120.257 114.554 -0.068 0.000 2.749 353 T HA 0.471 4.823 4.350 0.003 0.000 0.295 353 T C -2.355 172.337 174.700 -0.013 0.000 0.936 353 T CA -2.024 60.053 62.100 -0.039 0.000 1.060 353 T CB 0.575 69.424 68.868 -0.031 0.000 0.904 353 T HN 0.521 nan 8.240 nan 0.000 0.500 354 P HA 0.240 nan 4.420 nan 0.000 0.262 354 P C -0.980 176.320 177.300 -0.000 0.000 1.199 354 P CA 0.164 63.262 63.100 -0.003 0.000 0.763 354 P CB 0.406 32.082 31.700 -0.040 0.000 0.790 355 D N 1.621 122.039 120.400 0.030 0.000 2.677 355 D HA 0.330 4.972 4.640 0.003 0.000 0.298 355 D C 0.979 177.278 176.300 -0.001 0.000 1.250 355 D CA -0.861 53.147 54.000 0.014 0.000 0.888 355 D CB 0.114 40.935 40.800 0.035 0.000 1.397 355 D HN 0.128 nan 8.370 nan 0.000 0.461 356 A N -0.279 122.530 122.820 -0.019 0.000 1.903 356 A HA -0.298 4.024 4.320 0.003 0.000 0.219 356 A C 1.926 179.468 177.584 -0.070 0.000 1.191 356 A CA 2.449 54.462 52.037 -0.040 0.000 0.638 356 A CB -0.985 17.993 19.000 -0.035 0.000 0.823 356 A HN 0.625 nan 8.150 nan 0.000 0.451 357 Q N -1.704 118.037 119.800 -0.098 0.000 2.311 357 Q HA -0.090 4.252 4.340 0.003 0.000 0.203 357 Q C -0.246 175.494 176.000 -0.433 0.000 0.954 357 Q CA 0.864 56.516 55.803 -0.253 0.000 0.885 357 Q CB 0.132 28.697 28.738 -0.287 0.000 0.963 357 Q HN 0.899 nan 8.270 nan 0.000 0.471 358 H N -0.082 118.979 119.070 -0.016 0.000 2.439 358 H HA 0.276 4.833 4.556 0.003 0.000 0.228 358 H C -2.411 172.905 175.328 -0.021 0.000 1.423 358 H CA -1.840 54.201 56.048 -0.011 0.000 1.386 358 H CB 0.851 30.610 29.762 -0.006 0.000 1.641 358 H HN 0.194 nan 8.280 nan 0.000 0.508 359 P HA 0.021 nan 4.420 nan 0.000 0.274 359 P C 0.224 177.522 177.300 -0.003 0.000 1.237 359 P CA -0.438 62.660 63.100 -0.005 0.000 0.793 359 P CB 1.117 32.796 31.700 -0.035 0.000 0.977 360 M N 1.485 121.058 119.600 -0.044 0.000 2.248 360 M HA 0.084 4.566 4.480 0.003 0.000 0.345 360 M C 0.544 176.816 176.300 -0.046 0.000 1.243 360 M CA 0.261 55.528 55.300 -0.054 0.000 1.090 360 M CB -0.398 32.138 32.600 -0.107 0.000 1.683 360 M HN 0.269 nan 8.290 nan 0.000 0.450 361 L N 3.433 124.647 121.223 -0.016 0.000 2.439 361 L HA 0.351 4.693 4.340 0.003 0.000 0.269 361 L C 0.340 177.182 176.870 -0.046 0.000 1.179 361 L CA 0.117 54.962 54.840 0.007 0.000 0.828 361 L CB 0.290 42.400 42.059 0.085 0.000 1.106 361 L HN 0.667 nan 8.230 nan 0.000 0.467 362 R N 2.179 122.671 120.500 -0.014 0.000 2.579 362 R HA 0.323 4.665 4.340 0.003 0.000 0.260 362 R C -1.624 174.720 176.300 0.074 0.000 1.103 362 R CA -0.606 55.487 56.100 -0.011 0.000 0.942 362 R CB 1.642 31.887 30.300 -0.092 0.000 1.251 362 R HN 0.679 nan 8.270 nan 0.000 0.450 363 Q N 2.514 122.420 119.800 0.177 0.000 2.323 363 Q HA 0.318 4.659 4.340 0.003 0.000 0.271 363 Q C -1.246 175.037 176.000 0.472 0.000 1.048 363 Q CA -0.728 55.250 55.803 0.290 0.000 0.792 363 Q CB 2.046 30.995 28.738 0.351 0.000 1.280 363 Q HN 0.615 nan 8.270 nan 0.000 0.441 364 E N 2.178 122.595 120.200 0.363 0.000 2.277 364 E HA 0.138 4.490 4.350 0.003 0.000 0.274 364 E C -1.216 175.601 176.600 0.362 0.000 1.022 364 E CA -0.522 56.096 56.400 0.363 0.000 0.853 364 E CB 1.198 30.998 29.700 0.167 0.000 1.086 364 E HN 0.500 nan 8.360 nan 0.000 0.397 365 W N 4.089 125.291 121.300 -0.163 0.000 2.237 365 W HA 0.184 4.846 4.660 0.003 0.000 0.335 365 W C -0.201 176.241 176.519 -0.129 0.000 1.230 365 W CA -0.249 56.856 57.345 -0.401 0.000 1.253 365 W CB 0.635 29.450 29.460 -1.075 0.000 1.129 365 W HN 0.488 nan 8.180 nan 0.000 0.590 366 R N 3.980 123.869 120.500 -1.019 0.000 2.692 366 R HA 0.541 4.883 4.340 0.003 0.000 0.269 366 R C -1.625 173.989 176.300 -1.144 0.000 1.030 366 R CA -0.966 54.586 56.100 -0.914 0.000 0.882 366 R CB 1.713 31.787 30.300 -0.376 0.000 1.250 366 R HN 0.758 nan 8.270 nan 0.000 0.465 367 Q N 0.227 119.542 119.800 -0.808 0.000 2.565 367 Q HA 0.594 4.936 4.340 0.003 0.000 0.294 367 Q C -2.901 172.950 176.000 -0.247 0.000 1.005 367 Q CA -2.296 53.222 55.803 -0.474 0.000 0.771 367 Q CB 1.875 30.366 28.738 -0.413 0.000 1.486 367 Q HN 0.356 nan 8.270 nan 0.000 0.422 368 P HA 0.093 nan 4.420 nan 0.000 0.264 368 P C 0.491 177.759 177.300 -0.053 0.000 1.183 368 P CA 1.861 64.915 63.100 -0.077 0.000 0.763 368 P CB 0.379 32.054 31.700 -0.042 0.000 0.807 369 G N 0.902 109.686 108.800 -0.028 0.000 2.234 369 G HA2 -0.243 3.718 3.960 0.003 0.000 0.235 369 G HA3 -0.243 3.718 3.960 0.003 0.000 0.235 369 G C 0.344 175.263 174.900 0.031 0.000 0.997 369 G CA -0.135 44.974 45.100 0.015 0.000 0.623 369 G HN 0.676 nan 8.290 nan 0.000 0.514 370 c N 2.385 120.968 118.600 -0.028 0.000 2.656 370 c HA 0.692 5.264 4.570 0.003 0.000 0.391 370 c C 0.922 174.986 174.090 -0.045 0.000 1.300 370 c CA -0.062 56.249 56.329 -0.031 0.000 2.302 370 c CB 0.480 42.915 42.510 -0.125 0.000 2.655 370 c HN 0.760 nan 8.230 nan 0.000 0.656 371 R N 1.566 122.020 120.500 -0.077 0.000 2.621 371 R HA 0.549 4.891 4.340 0.003 0.000 0.292 371 R C -1.186 175.006 176.300 -0.179 0.000 0.969 371 R CA -0.569 55.468 56.100 -0.104 0.000 0.887 371 R CB 1.093 31.345 30.300 -0.080 0.000 1.180 371 R HN 0.619 nan 8.270 nan 0.000 0.450 372 Q N 2.080 121.794 119.800 -0.142 0.000 2.297 372 Q HA 0.182 4.523 4.340 0.003 0.000 0.267 372 Q C -0.674 175.207 176.000 -0.198 0.000 1.006 372 Q CA 0.491 56.194 55.803 -0.167 0.000 0.896 372 Q CB 1.054 29.726 28.738 -0.111 0.000 1.186 372 Q HN 0.835 nan 8.270 nan 0.000 0.392 373 T N -0.356 114.017 114.554 -0.302 0.000 2.831 373 T HA 0.370 4.722 4.350 0.003 0.000 0.287 373 T C 0.149 174.686 174.700 -0.271 0.000 1.070 373 T CA -0.694 61.217 62.100 -0.316 0.000 1.010 373 T CB 0.906 69.346 68.868 -0.714 0.000 1.264 373 T HN 0.452 nan 8.240 nan 0.000 0.532 374 D N 0.263 120.552 120.400 -0.185 0.000 2.264 374 D HA -0.046 4.595 4.640 0.003 0.000 0.208 374 D C 1.949 178.124 176.300 -0.208 0.000 0.966 374 D CA 1.354 55.277 54.000 -0.129 0.000 0.864 374 D CB -0.082 40.709 40.800 -0.016 0.000 0.933 374 D HN 0.532 nan 8.370 nan 0.000 0.499 375 V N -3.515 116.143 119.914 -0.427 0.000 3.647 375 V HA 0.568 4.689 4.120 0.003 0.000 0.279 375 V C 0.899 176.681 176.094 -0.519 0.000 1.314 375 V CA 0.541 62.536 62.300 -0.508 0.000 1.125 375 V CB -0.010 31.229 31.823 -0.973 0.000 0.907 375 V HN 0.184 nan 8.190 nan 0.000 0.434 376 G N -0.062 108.455 108.800 -0.470 0.000 2.331 376 G HA2 0.023 3.985 3.960 0.003 0.000 0.479 376 G HA3 0.023 3.985 3.960 0.003 0.000 0.479 376 G C -0.495 174.177 174.900 -0.379 0.000 1.262 376 G CA -0.361 44.529 45.100 -0.350 0.000 1.029 376 G HN 0.379 nan 8.290 nan 0.000 0.487 377 T N 1.391 115.802 114.554 -0.239 0.000 2.727 377 T HA 0.512 4.864 4.350 0.003 0.000 0.295 377 T C -0.028 174.557 174.700 -0.192 0.000 0.915 377 T CA 0.088 62.068 62.100 -0.200 0.000 1.066 377 T CB 0.667 69.470 68.868 -0.109 0.000 0.891 377 T HN 0.490 nan 8.240 nan 0.000 0.516 378 L N 3.414 124.460 121.223 -0.296 0.000 2.325 378 L HA 0.514 4.856 4.340 0.003 0.000 0.278 378 L C -0.239 176.652 176.870 0.035 0.000 1.023 378 L CA -0.622 54.084 54.840 -0.224 0.000 0.811 378 L CB 1.396 43.035 42.059 -0.700 0.000 1.249 378 L HN 0.742 nan 8.230 nan 0.000 0.431 379 c N 3.732 122.502 118.600 0.284 0.000 2.396 379 c HA 0.471 5.043 4.570 0.003 0.000 0.321 379 c C -2.320 171.999 174.090 0.381 0.000 1.233 379 c CA -1.485 55.024 56.329 0.301 0.000 1.440 379 c CB 1.786 44.455 42.510 0.264 0.000 2.110 379 c HN 0.584 nan 8.230 nan 0.000 0.473 380 P HA -0.077 nan 4.420 nan 0.000 0.261 380 P C 0.530 177.882 177.300 0.087 0.000 1.165 380 P CA 0.523 63.632 63.100 0.015 0.000 0.759 380 P CB 0.213 31.930 31.700 0.030 0.000 0.772 381 F N 3.792 123.692 119.950 -0.083 0.000 2.046 381 F HA -0.259 4.270 4.527 0.003 0.000 0.297 381 F C 2.341 178.159 175.800 0.030 0.000 1.123 381 F CA 1.928 59.937 58.000 0.016 0.000 1.199 381 F CB -0.473 38.525 39.000 -0.003 0.000 0.972 381 F HN 0.243 nan 8.300 nan 0.000 0.474 382 Q N 0.754 120.633 119.800 0.132 0.000 2.084 382 Q HA -0.105 4.237 4.340 0.003 0.000 0.202 382 Q C 2.139 178.117 176.000 -0.038 0.000 0.978 382 Q CA 2.050 57.875 55.803 0.036 0.000 0.844 382 Q CB -0.824 27.979 28.738 0.108 0.000 0.898 382 Q HN 0.460 nan 8.270 nan 0.000 0.426 383 A N -0.110 122.715 122.820 0.007 0.000 2.015 383 A HA 0.023 4.345 4.320 0.003 0.000 0.219 383 A C 2.193 179.805 177.584 0.046 0.000 1.163 383 A CA 1.641 53.696 52.037 0.029 0.000 0.646 383 A CB -0.867 18.163 19.000 0.050 0.000 0.806 383 A HN 0.473 nan 8.150 nan 0.000 0.448 384 A N -0.019 122.816 122.820 0.025 0.000 1.872 384 A HA 0.017 4.338 4.320 0.003 0.000 0.214 384 A C 1.993 179.503 177.584 -0.123 0.000 1.187 384 A CA 1.435 53.527 52.037 0.092 0.000 0.614 384 A CB -0.401 18.662 19.000 0.105 0.000 0.826 384 A HN 0.368 nan 8.150 nan 0.000 0.442 385 I N 0.303 120.696 120.570 -0.295 0.000 2.202 385 I HA -0.168 4.004 4.170 0.003 0.000 0.242 385 I C 2.540 178.569 176.117 -0.148 0.000 1.091 385 I CA 1.945 63.063 61.300 -0.303 0.000 1.368 385 I CB -1.866 35.890 38.000 -0.407 0.000 1.058 385 I HN 0.253 nan 8.210 nan 0.000 0.410 386 T N 1.528 116.028 114.554 -0.089 0.000 2.635 386 T HA -0.200 4.152 4.350 0.003 0.000 0.267 386 T C 2.059 176.752 174.700 -0.011 0.000 1.040 386 T CA 1.896 63.976 62.100 -0.033 0.000 1.156 386 T CB -0.427 68.437 68.868 -0.006 0.000 0.863 386 T HN 0.457 nan 8.240 nan 0.000 0.430 387 A N 1.182 124.018 122.820 0.026 0.000 1.883 387 A HA -0.042 4.280 4.320 0.003 0.000 0.217 387 A C 2.321 179.919 177.584 0.024 0.000 1.186 387 A CA 1.445 53.532 52.037 0.084 0.000 0.624 387 A CB -0.933 18.208 19.000 0.234 0.000 0.822 387 A HN 0.503 nan 8.150 nan 0.000 0.444 388 L N -1.027 120.144 121.223 -0.087 0.000 2.217 388 L HA -0.049 4.293 4.340 0.003 0.000 0.211 388 L C 2.476 179.281 176.870 -0.108 0.000 1.107 388 L CA 0.821 55.550 54.840 -0.185 0.000 0.783 388 L CB -0.392 41.443 42.059 -0.373 0.000 0.919 388 L HN 0.507 nan 8.230 nan 0.000 0.442 389 G N -1.738 107.014 108.800 -0.079 0.000 3.042 389 G HA2 -0.107 3.855 3.960 0.003 0.000 0.212 389 G HA3 -0.107 3.855 3.960 0.003 0.000 0.212 389 G C 1.344 176.228 174.900 -0.026 0.000 1.166 389 G CA -0.261 44.807 45.100 -0.053 0.000 0.767 389 G HN 0.246 nan 8.290 nan 0.000 0.546 390 Q N 0.147 119.940 119.800 -0.012 0.000 2.197 390 Q HA -0.080 4.262 4.340 0.003 0.000 0.207 390 Q C 2.209 178.214 176.000 0.007 0.000 0.984 390 Q CA 1.045 56.851 55.803 0.006 0.000 0.869 390 Q CB 0.009 28.761 28.738 0.023 0.000 0.906 390 Q HN 0.394 nan 8.270 nan 0.000 0.426 391 R N -0.487 120.016 120.500 0.005 0.000 2.362 391 R HA 0.274 4.615 4.340 0.003 0.000 0.227 391 R C 0.204 176.502 176.300 -0.003 0.000 0.905 391 R CA -0.356 55.748 56.100 0.008 0.000 1.067 391 R CB 0.448 30.756 30.300 0.014 0.000 1.078 391 R HN 0.185 nan 8.270 nan 0.000 0.516 392 I N 1.684 122.247 120.570 -0.012 0.000 2.775 392 I HA -0.139 4.032 4.170 0.003 0.000 0.290 392 I C 0.195 176.304 176.117 -0.014 0.000 1.203 392 I CA 0.505 61.794 61.300 -0.019 0.000 1.433 392 I CB 0.270 38.256 38.000 -0.024 0.000 1.354 392 I HN -0.033 nan 8.210 nan 0.000 0.579 393 D N 6.310 126.698 120.400 -0.020 0.000 2.428 393 D HA 0.154 4.796 4.640 0.003 0.000 0.221 393 D C 1.227 177.516 176.300 -0.018 0.000 1.123 393 D CA -0.389 53.602 54.000 -0.014 0.000 0.869 393 D CB 0.697 41.485 40.800 -0.021 0.000 1.032 393 D HN 0.280 nan 8.370 nan 0.000 0.506 394 R N 3.637 124.130 120.500 -0.012 0.000 2.112 394 R HA -0.144 4.197 4.340 0.003 0.000 0.242 394 R C -0.827 175.463 176.300 -0.017 0.000 1.137 394 R CA 1.479 57.570 56.100 -0.015 0.000 0.944 394 R CB -1.700 28.594 30.300 -0.010 0.000 0.857 394 R HN 0.481 nan 8.270 nan 0.000 0.435 395 P HA -0.029 nan 4.420 nan 0.000 0.221 395 P C 0.551 177.842 177.300 -0.015 0.000 1.145 395 P CA 1.277 64.373 63.100 -0.008 0.000 0.795 395 P CB 0.085 31.787 31.700 0.003 0.000 0.775 396 S N -1.260 114.426 115.700 -0.023 0.000 2.597 396 S HA 0.337 4.809 4.470 0.003 0.000 0.224 396 S C 1.019 175.591 174.600 -0.047 0.000 0.955 396 S CA 0.007 58.185 58.200 -0.036 0.000 0.933 396 S CB -0.030 63.139 63.200 -0.051 0.000 0.788 396 S HN 0.089 nan 8.310 nan 0.000 0.488 397 A N 3.167 125.960 122.820 -0.045 0.000 3.218 397 A HA 0.488 4.810 4.320 0.003 0.000 0.321 397 A C -2.746 174.802 177.584 -0.061 0.000 1.012 397 A CA -1.511 50.493 52.037 -0.055 0.000 0.948 397 A CB 0.011 18.984 19.000 -0.045 0.000 1.050 397 A HN 0.142 nan 8.150 nan 0.000 0.492 398 P HA 0.294 nan 4.420 nan 0.000 0.271 398 P C 0.216 177.462 177.300 -0.089 0.000 1.216 398 P CA 0.187 63.241 63.100 -0.076 0.000 0.776 398 P CB 0.969 32.616 31.700 -0.088 0.000 0.881 399 A N 2.954 125.730 122.820 -0.074 0.000 2.511 399 A HA 0.401 4.723 4.320 0.003 0.000 0.242 399 A C 0.398 177.922 177.584 -0.099 0.000 1.069 399 A CA -0.130 51.861 52.037 -0.077 0.000 0.763 399 A CB -0.336 18.628 19.000 -0.061 0.000 1.001 399 A HN 0.510 nan 8.150 nan 0.000 0.498 400 V N 0.307 120.153 119.914 -0.113 0.000 2.656 400 V HA 0.823 4.945 4.120 0.003 0.000 0.307 400 V C 0.234 176.258 176.094 -0.117 0.000 1.051 400 V CA -0.469 61.751 62.300 -0.134 0.000 0.893 400 V CB 1.261 32.974 31.823 -0.183 0.000 0.999 400 V HN 1.682 nan 8.190 nan 0.000 0.426 401 A N 5.281 128.034 122.820 -0.112 0.000 2.476 401 A HA 0.410 4.732 4.320 0.003 0.000 0.275 401 A C 0.920 178.426 177.584 -0.130 0.000 1.133 401 A CA 0.099 52.067 52.037 -0.114 0.000 0.797 401 A CB 0.117 19.056 19.000 -0.102 0.000 1.081 401 A HN 1.274 nan 8.150 nan 0.000 0.510 402 M N 4.059 123.570 119.600 -0.149 0.000 2.159 402 M HA -0.039 4.443 4.480 0.003 0.000 0.263 402 M C 0.575 176.736 176.300 -0.232 0.000 1.063 402 M CA 1.551 56.759 55.300 -0.153 0.000 1.110 402 M CB -0.350 32.158 32.600 -0.153 0.000 1.374 402 M HN 0.341 nan 8.290 nan 0.000 0.411 403 V N 2.596 122.285 119.914 -0.376 0.000 2.415 403 V HA 0.110 4.232 4.120 0.003 0.000 0.267 403 V C 0.475 176.471 176.094 -0.164 0.000 1.042 403 V CA -0.436 61.565 62.300 -0.498 0.000 1.000 403 V CB -0.450 31.075 31.823 -0.498 0.000 1.015 403 V HN 0.272 nan 8.190 nan 0.000 0.478 404 L N 7.432 128.665 121.223 0.016 0.000 2.476 404 L HA 0.313 4.655 4.340 0.003 0.000 0.255 404 L C -1.417 175.448 176.870 -0.008 0.000 1.218 404 L CA -1.230 53.626 54.840 0.027 0.000 0.819 404 L CB 0.115 42.231 42.059 0.095 0.000 1.119 404 L HN 0.483 nan 8.230 nan 0.000 0.485 405 P HA 0.256 nan 4.420 nan 0.000 0.293 405 P C -0.970 176.326 177.300 -0.007 0.000 1.298 405 P CA -0.418 62.673 63.100 -0.015 0.000 0.757 405 P CB 0.477 32.168 31.700 -0.015 0.000 1.262 406 K N 0.000 120.394 120.400 -0.010 0.000 2.780 406 K HA 0.000 4.322 4.320 0.003 0.000 0.191 406 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 406 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 406 K HN 0.000 nan 8.250 nan 0.000 0.543