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 1b65_1_E DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.623 176.600 0.038 0.000 0.988 9 K CA 0.000 56.313 56.287 0.043 0.000 0.838 9 K CB 0.000 32.522 32.500 0.036 0.000 1.064 10 P HA 0.240 nan 4.420 nan 0.000 0.272 10 P C -0.602 176.691 177.300 -0.012 0.000 1.223 10 P CA -0.253 62.857 63.100 0.016 0.000 0.784 10 P CB 1.023 32.731 31.700 0.014 0.000 0.923 11 R N 0.241 120.726 120.500 -0.024 0.000 2.843 11 R HA 0.570 4.910 4.340 0.000 0.000 0.232 11 R C 1.518 177.783 176.300 -0.059 0.000 1.305 11 R CA -0.526 55.549 56.100 -0.042 0.000 1.096 11 R CB 0.292 30.574 30.300 -0.029 0.000 1.455 11 R HN 0.457 nan 8.270 nan 0.000 0.520 12 A N 0.878 123.667 122.820 -0.052 0.000 1.908 12 A HA -0.195 4.125 4.320 0.000 0.000 0.218 12 A C 2.025 179.658 177.584 0.083 0.000 1.181 12 A CA 1.547 53.593 52.037 0.015 0.000 0.627 12 A CB -0.461 18.608 19.000 0.116 0.000 0.818 12 A HN 0.613 nan 8.150 nan 0.000 0.445 13 R N -0.293 120.256 120.500 0.082 0.000 2.120 13 R HA -0.113 4.227 4.340 0.000 0.000 0.234 13 R C 1.352 177.679 176.300 0.044 0.000 1.123 13 R CA 1.343 57.506 56.100 0.105 0.000 0.975 13 R CB -0.343 29.999 30.300 0.069 0.000 0.866 13 R HN 0.548 nan 8.270 nan 0.000 0.446 14 D N 0.631 121.039 120.400 0.012 0.000 2.263 14 D HA -0.127 4.513 4.640 0.000 0.000 0.208 14 D C 1.509 177.804 176.300 -0.009 0.000 0.971 14 D CA 0.995 54.996 54.000 0.001 0.000 0.867 14 D CB 0.097 40.894 40.800 -0.004 0.000 0.929 14 D HN 0.288 nan 8.370 nan 0.000 0.492 15 L N -0.480 120.726 121.223 -0.028 0.000 2.591 15 L HA 0.188 4.528 4.340 0.000 0.000 0.228 15 L C 1.482 178.339 176.870 -0.021 0.000 1.133 15 L CA 0.286 55.101 54.840 -0.042 0.000 0.880 15 L CB -0.034 41.959 42.059 -0.110 0.000 1.033 15 L HN 0.061 nan 8.230 nan 0.000 0.450 16 G N 0.234 109.032 108.800 -0.003 0.000 2.157 16 G HA2 -0.251 3.709 3.960 0.000 0.000 0.248 16 G HA3 -0.251 3.709 3.960 0.000 0.000 0.248 16 G C -0.023 174.864 174.900 -0.022 0.000 0.979 16 G CA -0.434 44.663 45.100 -0.006 0.000 0.650 16 G HN 0.121 nan 8.290 nan 0.000 0.529 17 L N 1.918 123.135 121.223 -0.010 0.000 2.456 17 L HA 0.366 4.706 4.340 0.000 0.000 0.272 17 L C -1.078 175.708 176.870 -0.139 0.000 1.189 17 L CA -1.303 53.482 54.840 -0.092 0.000 0.846 17 L CB 0.292 42.315 42.059 -0.060 0.000 1.111 17 L HN 0.006 nan 8.230 nan 0.000 0.475 18 P HA 0.083 nan 4.420 nan 0.000 0.220 18 P C -0.682 176.442 177.300 -0.294 0.000 1.806 18 P CA -0.171 62.800 63.100 -0.215 0.000 0.976 18 P CB -0.399 31.192 31.700 -0.181 0.000 1.952 19 F N 1.334 121.271 119.950 -0.022 0.000 2.412 19 F HA 0.118 4.646 4.527 0.000 0.000 0.348 19 F C 1.456 177.248 175.800 -0.013 0.000 1.102 19 F CA 0.002 57.991 58.000 -0.018 0.000 1.196 19 F CB 0.180 39.168 39.000 -0.019 0.000 1.144 19 F HN 0.026 nan 8.300 nan 0.000 0.541 20 T N 1.908 116.587 114.554 0.209 0.000 2.259 20 T HA 0.145 4.496 4.350 0.000 0.000 0.176 20 T C 0.714 175.481 174.700 0.112 0.000 1.032 20 T CA 0.080 62.272 62.100 0.154 0.000 1.254 20 T CB -1.225 67.786 68.868 0.239 0.000 0.967 20 T HN 1.423 nan 8.240 nan 0.000 0.419 21 G N 2.333 111.174 108.800 0.068 0.000 2.894 21 G HA2 -0.116 3.844 3.960 0.000 0.000 0.562 21 G HA3 -0.116 3.844 3.960 0.000 0.000 0.562 21 G C -0.007 174.914 174.900 0.035 0.000 1.424 21 G CA -0.471 44.656 45.100 0.046 0.000 0.958 21 G HN 1.721 nan 8.290 nan 0.000 0.555 22 V N 1.601 121.529 119.914 0.022 0.000 2.508 22 V HA 0.493 4.613 4.120 0.000 0.000 0.281 22 V C 1.362 177.458 176.094 0.003 0.000 1.041 22 V CA 0.394 62.700 62.300 0.010 0.000 1.016 22 V CB 0.586 32.413 31.823 0.006 0.000 0.984 22 V HN 1.291 nan 8.190 nan 0.000 0.478 23 T N 2.647 117.197 114.554 -0.007 0.000 2.862 23 T HA 0.661 5.011 4.350 0.000 0.000 0.276 23 T C 0.593 175.278 174.700 -0.024 0.000 0.974 23 T CA -0.041 62.049 62.100 -0.016 0.000 0.966 23 T CB 1.568 70.422 68.868 -0.024 0.000 1.072 23 T HN 0.838 nan 8.240 nan 0.000 0.538 24 G N 0.249 109.036 108.800 -0.023 0.000 2.588 24 G HA2 0.448 4.408 3.960 0.000 0.000 0.278 24 G HA3 0.448 4.408 3.960 0.000 0.000 0.278 24 G C -1.621 173.228 174.900 -0.085 0.000 1.307 24 G CA -1.439 43.638 45.100 -0.039 0.000 1.016 24 G HN 0.551 nan 8.290 nan 0.000 0.503 25 P HA -0.125 nan 4.420 nan 0.000 0.215 25 P C 0.733 177.794 177.300 -0.399 0.000 1.157 25 P CA 1.433 64.330 63.100 -0.339 0.000 0.874 25 P CB 0.012 31.417 31.700 -0.493 0.000 0.790 26 Y N -2.721 117.577 120.300 -0.003 0.000 2.457 26 Y HA 0.207 4.757 4.550 0.000 0.000 0.263 26 Y C 0.710 176.604 175.900 -0.009 0.000 1.164 26 Y CA -0.389 57.711 58.100 -0.001 0.000 1.274 26 Y CB -1.079 37.385 38.460 0.007 0.000 1.097 26 Y HN -0.078 nan 8.280 nan 0.000 0.523 27 N N 0.658 119.403 118.700 0.075 0.000 2.688 27 N HA -0.166 4.574 4.740 0.000 0.000 0.258 27 N C -0.897 174.639 175.510 0.044 0.000 1.016 27 N CA 0.736 53.803 53.050 0.029 0.000 0.747 27 N CB -0.943 37.540 38.487 -0.006 0.000 0.895 27 N HN 0.454 nan 8.380 nan 0.000 0.543 28 A N 0.245 123.108 122.820 0.072 0.000 2.602 28 A HA 0.617 4.937 4.320 0.000 0.000 0.290 28 A C 0.956 178.570 177.584 0.051 0.000 1.114 28 A CA -0.285 51.791 52.037 0.065 0.000 0.683 28 A CB 0.271 19.327 19.000 0.095 0.000 1.281 28 A HN 0.241 nan 8.150 nan 0.000 0.416 29 I N 0.440 121.032 120.570 0.037 0.000 2.614 29 I HA -0.140 4.030 4.170 0.000 0.000 0.258 29 I C 2.143 178.281 176.117 0.036 0.000 1.189 29 I CA 2.146 63.459 61.300 0.022 0.000 1.462 29 I CB 0.134 38.147 38.000 0.023 0.000 1.092 29 I HN 0.821 nan 8.210 nan 0.000 0.442 30 T N -3.186 111.398 114.554 0.050 0.000 3.113 30 T HA -0.065 4.285 4.350 0.000 0.000 0.263 30 T C 1.331 176.095 174.700 0.107 0.000 1.143 30 T CA 0.561 62.695 62.100 0.056 0.000 1.090 30 T CB -0.403 68.471 68.868 0.010 0.000 0.922 30 T HN 0.272 nan 8.240 nan 0.000 0.521 31 D N 1.359 121.828 120.400 0.115 0.000 2.264 31 D HA 0.026 4.666 4.640 0.000 0.000 0.208 31 D C 0.452 176.787 176.300 0.058 0.000 0.966 31 D CA 0.327 54.390 54.000 0.104 0.000 0.864 31 D CB -0.102 40.738 40.800 0.068 0.000 0.933 31 D HN 0.310 nan 8.370 nan 0.000 0.499 32 V N 4.253 124.191 119.914 0.040 0.000 2.415 32 V HA -0.022 4.098 4.120 0.000 0.000 0.267 32 V C 0.380 176.496 176.094 0.036 0.000 1.042 32 V CA -0.850 61.465 62.300 0.025 0.000 1.000 32 V CB 0.574 32.391 31.823 -0.010 0.000 1.015 32 V HN 0.166 nan 8.190 nan 0.000 0.478 33 D N 4.350 124.774 120.400 0.040 0.000 2.571 33 D HA 0.068 4.708 4.640 0.000 0.000 0.231 33 D C 1.143 177.462 176.300 0.032 0.000 1.133 33 D CA 0.754 54.781 54.000 0.045 0.000 0.862 33 D CB 0.938 41.767 40.800 0.050 0.000 1.179 33 D HN 0.931 nan 8.370 nan 0.000 0.474 34 G N 1.240 110.066 108.800 0.043 0.000 2.205 34 G HA2 -0.252 3.708 3.960 0.000 0.000 0.261 34 G HA3 -0.252 3.708 3.960 0.000 0.000 0.261 34 G C 0.232 175.145 174.900 0.021 0.000 0.980 34 G CA 0.283 45.408 45.100 0.041 0.000 0.632 34 G HN 0.675 nan 8.290 nan 0.000 0.533 35 V N 1.409 121.339 119.914 0.028 0.000 2.432 35 V HA 0.656 4.777 4.120 0.000 0.000 0.271 35 V C 1.046 177.161 176.094 0.036 0.000 1.046 35 V CA 0.268 62.600 62.300 0.053 0.000 0.945 35 V CB 1.222 33.105 31.823 0.100 0.000 0.992 35 V HN 0.741 nan 8.190 nan 0.000 0.471 36 G N 3.552 112.367 108.800 0.025 0.000 2.432 36 G HA2 0.659 4.619 3.960 0.000 0.000 0.331 36 G HA3 0.659 4.619 3.960 0.000 0.000 0.331 36 G C -1.245 173.616 174.900 -0.065 0.000 1.170 36 G CA -0.513 44.578 45.100 -0.016 0.000 0.943 36 G HN 0.542 nan 8.290 nan 0.000 0.483 37 V N 0.202 120.035 119.914 -0.136 0.000 2.656 37 V HA 0.866 4.986 4.120 0.000 0.000 0.307 37 V C 0.495 176.347 176.094 -0.405 0.000 1.051 37 V CA -0.321 61.811 62.300 -0.281 0.000 0.893 37 V CB 1.799 33.438 31.823 -0.305 0.000 0.999 37 V HN 1.106 nan 8.190 nan 0.000 0.426 38 G N 2.680 111.175 108.800 -0.509 0.000 2.571 38 G HA2 0.802 4.763 3.960 0.000 0.000 0.304 38 G HA3 0.802 4.763 3.960 0.000 0.000 0.304 38 G C -1.796 172.783 174.900 -0.535 0.000 1.314 38 G CA -0.400 44.447 45.100 -0.422 0.000 0.975 38 G HN 0.330 nan 8.290 nan 0.000 0.485 39 F N -0.608 119.321 119.950 -0.035 0.000 2.576 39 F HA 0.647 5.174 4.527 0.000 0.000 0.313 39 F C -0.057 175.725 175.800 -0.029 0.000 1.078 39 F CA -0.944 57.038 58.000 -0.030 0.000 0.921 39 F CB 3.068 42.056 39.000 -0.019 0.000 1.232 39 F HN 0.417 nan 8.300 nan 0.000 0.459 40 Q N 1.340 121.249 119.800 0.183 0.000 2.310 40 Q HA 0.592 4.932 4.340 0.000 0.000 0.270 40 Q C -1.558 174.489 176.000 0.077 0.000 1.025 40 Q CA -0.256 55.604 55.803 0.094 0.000 0.772 40 Q CB 1.977 30.744 28.738 0.047 0.000 1.253 40 Q HN 0.658 nan 8.270 nan 0.000 0.450 41 T N 5.450 120.031 114.554 0.045 0.000 2.809 41 T HA 0.577 4.927 4.350 0.000 0.000 0.284 41 T C -0.411 174.289 174.700 0.001 0.000 0.992 41 T CA -0.380 61.724 62.100 0.007 0.000 0.957 41 T CB 0.371 69.223 68.868 -0.028 0.000 0.942 41 T HN 0.588 nan 8.240 nan 0.000 0.439 42 I N 4.573 125.140 120.570 -0.005 0.000 2.359 42 I HA 0.459 4.629 4.170 0.000 0.000 0.284 42 I C -0.566 175.541 176.117 -0.016 0.000 1.018 42 I CA -0.534 60.762 61.300 -0.007 0.000 1.173 42 I CB 0.965 38.962 38.000 -0.004 0.000 1.326 42 I HN 0.478 nan 8.210 nan 0.000 0.462 43 I N 6.453 127.014 120.570 -0.016 0.000 2.420 43 I HA 0.340 4.510 4.170 0.000 0.000 0.282 43 I C -0.326 175.782 176.117 -0.014 0.000 1.019 43 I CA -0.269 61.021 61.300 -0.017 0.000 1.130 43 I CB 1.280 39.270 38.000 -0.017 0.000 1.262 43 I HN 0.563 nan 8.210 nan 0.000 0.454 44 E N 4.905 125.094 120.200 -0.018 0.000 2.244 44 E HA 0.426 4.776 4.350 0.000 0.000 0.266 44 E C -0.265 176.326 176.600 -0.014 0.000 0.914 44 E CA -0.697 55.691 56.400 -0.020 0.000 0.794 44 E CB 1.878 31.557 29.700 -0.035 0.000 1.210 44 E HN 0.422 nan 8.360 nan 0.000 0.414 45 N N 1.652 120.350 118.700 -0.002 0.000 2.197 45 N HA 0.032 4.772 4.740 0.000 0.000 0.228 45 N C -1.058 174.481 175.510 0.049 0.000 1.212 45 N CA 0.201 53.275 53.050 0.039 0.000 0.883 45 N CB 0.886 39.410 38.487 0.061 0.000 1.107 45 N HN 0.578 nan 8.380 nan 0.000 0.519 46 E N 0.484 120.634 120.200 -0.082 0.000 2.340 46 E HA 0.484 4.834 4.350 0.000 0.000 0.273 46 E C -3.059 173.326 176.600 -0.359 0.000 0.891 46 E CA -1.917 54.301 56.400 -0.304 0.000 0.757 46 E CB 2.327 31.929 29.700 -0.163 0.000 1.231 46 E HN -0.221 nan 8.360 nan 0.000 0.439 47 P HA 0.119 nan 4.420 nan 0.000 0.271 47 P C -0.656 176.517 177.300 -0.211 0.000 1.218 47 P CA -0.229 62.656 63.100 -0.359 0.000 0.780 47 P CB 0.596 32.047 31.700 -0.414 0.000 0.901 48 R N 2.301 122.723 120.500 -0.129 0.000 2.637 48 R HA 0.304 4.644 4.340 0.000 0.000 0.269 48 R C -1.973 174.286 176.300 -0.069 0.000 1.089 48 R CA -1.561 54.492 56.100 -0.079 0.000 1.177 48 R CB -0.794 29.479 30.300 -0.045 0.000 1.091 48 R HN 0.369 nan 8.270 nan 0.000 0.540 49 P HA -0.002 nan 4.420 nan 0.000 0.262 49 P C 0.251 177.538 177.300 -0.021 0.000 1.199 49 P CA 0.990 64.071 63.100 -0.032 0.000 0.763 49 P CB 0.529 32.218 31.700 -0.019 0.000 0.790 50 G N 2.076 110.864 108.800 -0.020 0.000 2.175 50 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 50 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 50 G C 0.204 175.100 174.900 -0.008 0.000 0.982 50 G CA -0.433 44.663 45.100 -0.007 0.000 0.641 50 G HN 0.499 nan 8.290 nan 0.000 0.527 51 R N -0.256 120.227 120.500 -0.027 0.000 2.787 51 R HA 0.672 5.013 4.340 0.000 0.000 0.271 51 R C 0.848 177.117 176.300 -0.051 0.000 0.993 51 R CA -0.747 55.334 56.100 -0.031 0.000 0.993 51 R CB 0.893 31.168 30.300 -0.042 0.000 1.155 51 R HN 0.239 nan 8.270 nan 0.000 0.486 52 K N 0.844 121.225 120.400 -0.032 0.000 2.367 52 K HA 0.244 4.564 4.320 0.000 0.000 0.195 52 K C 0.201 176.789 176.600 -0.021 0.000 1.060 52 K CA 0.306 56.587 56.287 -0.010 0.000 1.022 52 K CB 0.892 33.414 32.500 0.037 0.000 0.894 52 K HN 0.257 nan 8.250 nan 0.000 0.540 53 R N 1.212 121.683 120.500 -0.049 0.000 2.803 53 R HA 0.348 4.688 4.340 0.000 0.000 0.276 53 R C -2.860 173.384 176.300 -0.094 0.000 0.978 53 R CA -2.166 53.913 56.100 -0.036 0.000 0.939 53 R CB 1.344 31.638 30.300 -0.010 0.000 1.179 53 R HN -0.153 nan 8.270 nan 0.000 0.472 54 P HA 0.119 nan 4.420 nan 0.000 0.274 54 P C -1.118 176.142 177.300 -0.066 0.000 1.237 54 P CA -0.434 62.611 63.100 -0.092 0.000 0.793 54 P CB 0.790 32.459 31.700 -0.051 0.000 0.977 55 A N 2.791 125.573 122.820 -0.063 0.000 2.276 55 A HA 0.534 4.854 4.320 0.000 0.000 0.300 55 A C -0.104 177.453 177.584 -0.045 0.000 1.235 55 A CA -0.274 51.731 52.037 -0.054 0.000 0.867 55 A CB -0.263 18.712 19.000 -0.041 0.000 1.137 55 A HN 0.410 nan 8.150 nan 0.000 0.527 56 R N 1.854 122.322 120.500 -0.053 0.000 2.576 56 R HA 0.574 4.914 4.340 0.000 0.000 0.283 56 R C -0.367 175.900 176.300 -0.055 0.000 1.493 56 R CA 0.127 56.199 56.100 -0.046 0.000 1.170 56 R CB 1.538 31.813 30.300 -0.043 0.000 1.189 56 R HN 0.769 nan 8.270 nan 0.000 0.542 57 S N 0.124 115.799 115.700 -0.041 0.000 2.873 57 S HA 0.938 5.408 4.470 0.000 0.000 0.303 57 S C -1.036 173.555 174.600 -0.016 0.000 1.222 57 S CA -0.126 58.051 58.200 -0.039 0.000 0.923 57 S CB 1.533 64.704 63.200 -0.050 0.000 1.286 57 S HN 0.670 nan 8.310 nan 0.000 0.571 58 G N -0.424 108.377 108.800 0.000 0.000 2.333 58 G HA2 0.445 4.405 3.960 0.000 0.000 0.288 58 G HA3 0.445 4.405 3.960 0.000 0.000 0.288 58 G C -2.189 172.737 174.900 0.043 0.000 1.286 58 G CA 0.144 45.259 45.100 0.024 0.000 0.865 58 G HN 1.196 nan 8.290 nan 0.000 0.506 59 V N -0.075 119.880 119.914 0.068 0.000 2.760 59 V HA 0.763 4.883 4.120 0.000 0.000 0.309 59 V C -0.277 175.890 176.094 0.120 0.000 1.077 59 V CA -0.624 61.715 62.300 0.065 0.000 0.910 59 V CB 1.933 33.770 31.823 0.023 0.000 1.008 59 V HN 0.922 nan 8.190 nan 0.000 0.424 60 T N 3.483 118.097 114.554 0.100 0.000 2.829 60 T HA 0.786 5.136 4.350 0.000 0.000 0.280 60 T C -0.245 174.418 174.700 -0.062 0.000 0.999 60 T CA -0.309 61.847 62.100 0.093 0.000 0.983 60 T CB 1.675 70.662 68.868 0.198 0.000 0.968 60 T HN 1.018 nan 8.240 nan 0.000 0.446 61 A N 3.400 126.108 122.820 -0.186 0.000 2.343 61 A HA 0.845 5.165 4.320 0.000 0.000 0.316 61 A C -0.829 176.646 177.584 -0.181 0.000 1.104 61 A CA -0.692 51.234 52.037 -0.184 0.000 0.768 61 A CB 0.612 19.463 19.000 -0.248 0.000 1.213 61 A HN 0.841 nan 8.150 nan 0.000 0.456 62 I N 2.885 123.402 120.570 -0.089 0.000 2.410 62 I HA 0.339 4.509 4.170 0.000 0.000 0.286 62 I C -0.810 175.313 176.117 0.011 0.000 1.009 62 I CA -0.182 61.105 61.300 -0.022 0.000 1.111 62 I CB 1.596 39.642 38.000 0.076 0.000 1.262 62 I HN 0.525 nan 8.210 nan 0.000 0.443 63 L N 8.768 129.999 121.223 0.013 0.000 2.316 63 L HA 0.583 4.923 4.340 0.000 0.000 0.280 63 L C -2.454 174.441 176.870 0.042 0.000 1.006 63 L CA -1.685 53.181 54.840 0.043 0.000 0.836 63 L CB 2.165 44.271 42.059 0.079 0.000 1.221 63 L HN 0.251 nan 8.230 nan 0.000 0.418 64 P HA 0.131 nan 4.420 nan 0.000 0.274 64 P C -0.659 176.629 177.300 -0.020 0.000 1.237 64 P CA 0.161 63.203 63.100 -0.096 0.000 0.793 64 P CB 0.285 31.805 31.700 -0.301 0.000 0.977 65 H N 0.554 119.654 119.070 0.050 0.000 2.604 65 H HA -0.159 4.397 4.556 0.000 0.000 0.321 65 H C 1.235 176.608 175.328 0.075 0.000 1.132 65 H CA 1.005 57.078 56.048 0.043 0.000 1.129 65 H CB -1.566 28.195 29.762 -0.001 0.000 1.526 65 H HN 0.577 nan 8.280 nan 0.000 0.415 66 M N -1.039 118.654 119.600 0.155 0.000 2.460 66 M HA -0.113 4.367 4.480 0.000 0.000 0.263 66 M C 2.088 178.473 176.300 0.142 0.000 1.071 66 M CA 1.961 57.353 55.300 0.154 0.000 1.096 66 M CB -0.055 32.610 32.600 0.108 0.000 1.408 66 M HN 0.309 nan 8.290 nan 0.000 0.463 67 Q N 1.119 120.994 119.800 0.125 0.000 2.331 67 Q HA 0.085 4.425 4.340 0.000 0.000 0.203 67 Q C 0.637 176.693 176.000 0.093 0.000 0.944 67 Q CA 0.887 56.746 55.803 0.093 0.000 0.892 67 Q CB -0.303 28.482 28.738 0.078 0.000 0.983 67 Q HN 0.523 nan 8.270 nan 0.000 0.482 68 S N 0.930 116.703 115.700 0.122 0.000 2.560 68 S HA -0.014 4.456 4.470 0.000 0.000 0.284 68 S C 0.719 175.403 174.600 0.139 0.000 1.327 68 S CA -0.134 58.122 58.200 0.093 0.000 1.055 68 S CB 0.711 63.944 63.200 0.054 0.000 0.868 68 S HN 0.389 nan 8.310 nan 0.000 0.506 69 E N 1.419 121.670 120.200 0.084 0.000 2.358 69 E HA 0.004 4.354 4.350 0.000 0.000 0.195 69 E C 0.553 177.265 176.600 0.187 0.000 1.010 69 E CA 0.628 57.086 56.400 0.096 0.000 0.856 69 E CB 0.201 29.916 29.700 0.025 0.000 0.795 69 E HN 0.802 nan 8.360 nan 0.000 0.504 70 T N -1.034 113.575 114.554 0.092 0.000 2.907 70 T HA 0.429 4.779 4.350 0.000 0.000 0.292 70 T C -2.935 171.590 174.700 -0.291 0.000 1.043 70 T CA -2.653 59.410 62.100 -0.061 0.000 1.003 70 T CB 2.009 70.796 68.868 -0.135 0.000 1.084 70 T HN -0.312 nan 8.240 nan 0.000 0.483 71 P HA 0.334 nan 4.420 nan 0.000 0.268 71 P C -0.962 176.148 177.300 -0.317 0.000 1.204 71 P CA -0.420 62.315 63.100 -0.608 0.000 0.768 71 P CB 0.472 31.843 31.700 -0.548 0.000 0.842 72 V N 6.254 126.024 119.914 -0.240 0.000 2.409 72 V HA 0.317 4.437 4.120 0.000 0.000 0.291 72 V C -2.146 173.789 176.094 -0.265 0.000 1.020 72 V CA -2.237 59.907 62.300 -0.259 0.000 0.848 72 V CB 1.476 33.100 31.823 -0.331 0.000 0.990 72 V HN 0.479 nan 8.190 nan 0.000 0.430 73 P HA 0.082 nan 4.420 nan 0.000 0.264 73 P C -0.666 176.352 177.300 -0.470 0.000 1.183 73 P CA 0.252 63.060 63.100 -0.486 0.000 0.763 73 P CB 0.622 31.808 31.700 -0.857 0.000 0.807 74 V N 5.489 125.105 119.914 -0.495 0.000 2.444 74 V HA 0.253 4.373 4.120 0.000 0.000 0.294 74 V C -0.493 175.420 176.094 -0.301 0.000 1.022 74 V CA -0.662 61.404 62.300 -0.390 0.000 0.850 74 V CB 0.562 32.056 31.823 -0.548 0.000 0.992 74 V HN 0.376 nan 8.190 nan 0.000 0.426 75 Y N 3.466 123.787 120.300 0.035 0.000 2.578 75 Y HA 0.508 5.058 4.550 0.000 0.000 0.339 75 Y C 0.714 176.708 175.900 0.156 0.000 1.231 75 Y CA 0.888 59.048 58.100 0.100 0.000 1.461 75 Y CB 0.718 39.218 38.460 0.067 0.000 1.323 75 Y HN 0.782 nan 8.280 nan 0.000 0.590 76 A N 0.644 123.666 122.820 0.336 0.000 2.599 76 A HA 0.867 5.187 4.320 0.000 0.000 0.290 76 A C -0.707 177.013 177.584 0.227 0.000 1.101 76 A CA -0.166 52.076 52.037 0.341 0.000 0.674 76 A CB 1.333 20.638 19.000 0.510 0.000 1.277 76 A HN 1.027 nan 8.150 nan 0.000 0.419 77 G N -0.920 108.005 108.800 0.208 0.000 2.733 77 G HA2 0.642 4.603 3.960 0.000 0.000 0.297 77 G HA3 0.642 4.603 3.960 0.000 0.000 0.297 77 G C -1.696 173.294 174.900 0.150 0.000 1.422 77 G CA -0.370 44.818 45.100 0.145 0.000 0.942 77 G HN 1.183 nan 8.290 nan 0.000 0.510 78 V N 1.183 121.172 119.914 0.125 0.000 2.815 78 V HA 0.589 4.709 4.120 0.000 0.000 0.314 78 V C -0.690 175.514 176.094 0.183 0.000 1.064 78 V CA -0.834 61.541 62.300 0.125 0.000 0.952 78 V CB 2.107 33.957 31.823 0.045 0.000 1.020 78 V HN 0.866 nan 8.190 nan 0.000 0.439 79 H N 3.945 123.061 119.070 0.077 0.000 2.823 79 H HA 0.420 4.976 4.556 0.000 0.000 0.332 79 H C -0.522 174.749 175.328 -0.095 0.000 0.980 79 H CA -0.770 55.314 56.048 0.061 0.000 1.286 79 H CB 1.200 31.084 29.762 0.204 0.000 1.541 79 H HN 0.611 nan 8.280 nan 0.000 0.521 80 R N 5.323 125.504 120.500 -0.531 0.000 2.296 80 R HA 0.013 4.353 4.340 0.000 0.000 0.327 80 R C 0.011 175.862 176.300 -0.749 0.000 1.137 80 R CA -0.267 55.514 56.100 -0.532 0.000 1.020 80 R CB -0.126 29.999 30.300 -0.292 0.000 1.110 80 R HN 0.543 nan 8.270 nan 0.000 0.499 81 F N 3.208 122.602 119.950 -0.927 0.000 2.163 81 F HA 0.028 4.555 4.527 0.000 0.000 0.297 81 F C 0.429 176.058 175.800 -0.284 0.000 1.094 81 F CA 1.135 58.813 58.000 -0.538 0.000 1.290 81 F CB 0.313 39.128 39.000 -0.309 0.000 1.017 81 F HN 0.419 nan 8.300 nan 0.000 0.483 82 N N -0.414 118.127 118.700 -0.265 0.000 2.571 82 N HA 0.154 4.894 4.740 0.000 0.000 0.286 82 N C 0.059 175.472 175.510 -0.161 0.000 1.138 82 N CA 0.191 53.101 53.050 -0.233 0.000 0.859 82 N CB 1.260 39.677 38.487 -0.117 0.000 1.414 82 N HN 0.205 nan 8.380 nan 0.000 0.529 83 G N 2.087 110.790 108.800 -0.162 0.000 3.318 83 G HA2 -0.128 3.832 3.960 0.000 0.000 0.230 83 G HA3 -0.128 3.832 3.960 0.000 0.000 0.230 83 G C 0.538 175.389 174.900 -0.082 0.000 1.317 83 G CA -0.166 44.859 45.100 -0.125 0.000 1.197 83 G HN 0.519 nan 8.290 nan 0.000 0.514 84 N N 1.262 119.921 118.700 -0.067 0.000 3.303 84 N HA 0.366 5.106 4.740 0.000 0.000 0.304 84 N C 0.448 175.937 175.510 -0.035 0.000 1.302 84 N CA 0.402 53.423 53.050 -0.048 0.000 1.213 84 N CB 0.117 38.578 38.487 -0.043 0.000 1.481 84 N HN 0.349 nan 8.380 nan 0.000 0.546 85 G N -0.223 108.558 108.800 -0.032 0.000 2.441 85 G HA2 0.291 4.252 3.960 0.000 0.000 0.294 85 G HA3 0.291 4.252 3.960 0.000 0.000 0.294 85 G C -1.892 172.999 174.900 -0.016 0.000 1.393 85 G CA -0.545 44.548 45.100 -0.013 0.000 0.796 85 G HN 0.219 nan 8.290 nan 0.000 0.494 86 E N -0.513 119.688 120.200 0.002 0.000 2.238 86 E HA 0.759 5.109 4.350 0.000 0.000 0.267 86 E C -0.757 175.838 176.600 -0.008 0.000 0.887 86 E CA -0.753 55.647 56.400 -0.000 0.000 0.769 86 E CB 1.768 31.485 29.700 0.028 0.000 1.187 86 E HN 0.638 nan 8.360 nan 0.000 0.416 87 M N 4.494 124.075 119.600 -0.031 0.000 2.098 87 M HA 0.314 4.794 4.480 0.000 0.000 0.265 87 M C -0.953 175.315 176.300 -0.054 0.000 0.940 87 M CA -0.376 54.898 55.300 -0.043 0.000 1.007 87 M CB 1.153 33.712 32.600 -0.067 0.000 1.823 87 M HN 0.727 nan 8.290 nan 0.000 0.453 88 T N 0.560 115.108 114.554 -0.010 0.000 2.732 88 T HA 0.630 4.980 4.350 0.000 0.000 0.287 88 T C 1.121 175.807 174.700 -0.023 0.000 0.993 88 T CA 0.517 62.625 62.100 0.013 0.000 0.966 88 T CB 1.172 70.131 68.868 0.152 0.000 1.047 88 T HN 1.310 nan 8.240 nan 0.000 0.527 89 G N 0.012 108.824 108.800 0.020 0.000 2.155 89 G HA2 -0.329 3.632 3.960 0.000 0.000 0.257 89 G HA3 -0.329 3.632 3.960 0.000 0.000 0.257 89 G C 0.821 175.708 174.900 -0.022 0.000 0.983 89 G CA 1.212 46.336 45.100 0.039 0.000 0.676 89 G HN 1.602 nan 8.290 nan 0.000 0.528 90 T N -3.620 110.845 114.554 -0.148 0.000 3.081 90 T HA 0.105 4.455 4.350 0.000 0.000 0.255 90 T C 1.796 176.448 174.700 -0.080 0.000 1.113 90 T CA 1.349 63.363 62.100 -0.143 0.000 1.082 90 T CB -0.249 68.510 68.868 -0.183 0.000 0.939 90 T HN 0.476 nan 8.240 nan 0.000 0.506 91 H N -0.366 118.768 119.070 0.107 0.000 2.357 91 H HA 0.036 4.592 4.556 0.000 0.000 0.301 91 H C 1.806 177.280 175.328 0.243 0.000 1.082 91 H CA 1.212 57.348 56.048 0.146 0.000 1.342 91 H CB -0.410 29.438 29.762 0.144 0.000 1.389 91 H HN 0.559 nan 8.280 nan 0.000 0.511 92 W N 1.236 122.612 121.300 0.126 0.000 2.658 92 W HA -0.004 4.656 4.660 0.000 0.000 0.263 92 W C 1.658 178.155 176.519 -0.037 0.000 1.274 92 W CA 0.240 57.605 57.345 0.032 0.000 1.343 92 W CB 0.070 29.546 29.460 0.028 0.000 1.106 92 W HN 0.052 nan 8.180 nan 0.000 0.615 93 I N 0.688 121.166 120.570 -0.154 0.000 2.252 93 I HA -0.294 3.876 4.170 0.000 0.000 0.245 93 I C 2.357 178.363 176.117 -0.186 0.000 1.102 93 I CA 1.215 62.392 61.300 -0.205 0.000 1.385 93 I CB -0.396 37.589 38.000 -0.025 0.000 1.064 93 I HN -0.113 nan 8.210 nan 0.000 0.414 94 E N 0.637 120.799 120.200 -0.063 0.000 2.047 94 E HA -0.202 4.149 4.350 0.000 0.000 0.191 94 E C 1.581 178.158 176.600 -0.039 0.000 0.987 94 E CA 1.288 57.686 56.400 -0.004 0.000 0.799 94 E CB -0.144 29.604 29.700 0.080 0.000 0.752 94 E HN 0.480 nan 8.360 nan 0.000 0.449 95 D N -0.451 119.930 120.400 -0.031 0.000 2.197 95 D HA -0.011 4.629 4.640 0.000 0.000 0.212 95 D C 1.934 178.017 176.300 -0.362 0.000 0.963 95 D CA 1.172 55.224 54.000 0.086 0.000 0.864 95 D CB -0.358 40.773 40.800 0.552 0.000 1.009 95 D HN 0.226 nan 8.370 nan 0.000 0.479 96 G N -0.439 107.221 108.800 -1.900 0.000 2.430 96 G HA2 0.135 4.095 3.960 0.000 0.000 0.216 96 G HA3 0.135 4.095 3.960 0.000 0.000 0.216 96 G C 1.250 175.537 174.900 -1.022 0.000 1.146 96 G CA 0.987 44.348 45.100 -2.899 0.000 0.793 96 G HN 0.496 nan 8.290 nan 0.000 0.537 97 G N -1.809 106.538 108.800 -0.754 0.000 2.176 97 G HA2 -0.130 3.830 3.960 0.000 0.000 0.232 97 G HA3 -0.130 3.830 3.960 0.000 0.000 0.232 97 G C 0.171 175.092 174.900 0.035 0.000 0.986 97 G CA 0.760 45.783 45.100 -0.129 0.000 0.643 97 G HN 1.499 nan 8.290 nan 0.000 0.522 98 Y N -1.505 118.644 120.300 -0.251 0.000 2.705 98 Y HA 0.800 5.350 4.550 0.000 0.000 0.332 98 Y C -0.582 175.294 175.900 -0.041 0.000 1.221 98 Y CA -2.376 55.627 58.100 -0.162 0.000 1.059 98 Y CB 0.504 38.743 38.460 -0.368 0.000 1.298 98 Y HN 0.831 nan 8.280 nan 0.000 0.459 99 F N 0.131 120.146 119.950 0.109 0.000 2.650 99 F HA 0.897 5.424 4.527 0.000 0.000 0.320 99 F C -2.389 173.483 175.800 0.120 0.000 1.091 99 F CA -1.481 56.567 58.000 0.080 0.000 0.962 99 F CB 1.323 40.320 39.000 -0.005 0.000 1.363 99 F HN 0.462 nan 8.300 nan 0.000 0.482 100 L N 1.605 122.973 121.223 0.242 0.000 2.354 100 L HA 0.904 5.244 4.340 0.000 0.000 0.269 100 L C 0.464 177.446 176.870 0.186 0.000 1.005 100 L CA 0.078 54.962 54.840 0.075 0.000 0.819 100 L CB 1.001 43.140 42.059 0.134 0.000 1.311 100 L HN 1.257 nan 8.230 nan 0.000 0.423 101 G N 2.949 111.811 108.800 0.104 0.000 2.660 101 G HA2 -0.083 3.877 3.960 0.000 0.000 0.215 101 G HA3 -0.083 3.877 3.960 0.000 0.000 0.215 101 G C -2.970 172.079 174.900 0.248 0.000 1.345 101 G CA -0.584 44.657 45.100 0.236 0.000 0.877 101 G HN 0.520 nan 8.290 nan 0.000 0.549 102 P HA 0.578 nan 4.420 nan 0.000 0.281 102 P C -0.396 176.937 177.300 0.056 0.000 1.264 102 P CA -0.512 62.649 63.100 0.102 0.000 0.824 102 P CB 1.654 33.334 31.700 -0.033 0.000 1.092 103 V N 1.816 121.734 119.914 0.006 0.000 2.383 103 V HA 0.208 4.328 4.120 0.000 0.000 0.275 103 V C 0.396 176.457 176.094 -0.055 0.000 1.036 103 V CA -0.395 61.858 62.300 -0.078 0.000 0.889 103 V CB 1.354 33.144 31.823 -0.055 0.000 0.985 103 V HN 0.244 nan 8.190 nan 0.000 0.459 104 V N 6.883 126.760 119.914 -0.062 0.000 2.495 104 V HA 0.565 4.686 4.120 0.000 0.000 0.298 104 V C -0.238 175.848 176.094 -0.014 0.000 1.031 104 V CA -0.459 61.810 62.300 -0.050 0.000 0.871 104 V CB 1.886 33.670 31.823 -0.064 0.000 0.988 104 V HN 0.685 nan 8.190 nan 0.000 0.432 105 I N 3.689 124.264 120.570 0.009 0.000 2.498 105 I HA 0.686 4.856 4.170 0.000 0.000 0.290 105 I C 0.031 176.174 176.117 0.044 0.000 1.032 105 I CA -0.099 61.221 61.300 0.033 0.000 1.073 105 I CB 2.173 40.205 38.000 0.052 0.000 1.251 105 I HN 0.688 nan 8.210 nan 0.000 0.426 106 T N 3.143 117.723 114.554 0.044 0.000 2.584 106 T HA 0.363 4.713 4.350 0.000 0.000 0.273 106 T C -1.244 173.474 174.700 0.031 0.000 0.978 106 T CA -0.556 61.568 62.100 0.041 0.000 1.159 106 T CB 1.190 70.085 68.868 0.046 0.000 1.556 106 T HN 0.804 nan 8.240 nan 0.000 0.472 107 N N -0.217 118.492 118.700 0.016 0.000 2.476 107 N HA 0.342 5.082 4.740 0.000 0.000 0.275 107 N C 1.026 176.549 175.510 0.021 0.000 1.190 107 N CA 0.065 53.105 53.050 -0.016 0.000 0.977 107 N CB 0.350 38.784 38.487 -0.087 0.000 1.200 107 N HN 0.443 nan 8.380 nan 0.000 0.515 108 T N -0.708 113.853 114.554 0.012 0.000 2.665 108 T HA -0.192 4.158 4.350 0.000 0.000 0.268 108 T C 0.684 175.511 174.700 0.212 0.000 1.035 108 T CA 1.587 63.739 62.100 0.086 0.000 1.151 108 T CB -0.536 68.378 68.868 0.075 0.000 0.862 108 T HN 0.545 nan 8.240 nan 0.000 0.438 109 H N -0.125 118.962 119.070 0.029 0.000 2.526 109 H HA 0.406 4.962 4.556 0.000 0.000 0.274 109 H C 1.950 177.354 175.328 0.127 0.000 0.999 109 H CA -0.299 55.775 56.048 0.043 0.000 1.157 109 H CB -0.363 29.290 29.762 -0.182 0.000 1.407 109 H HN 0.433 nan 8.280 nan 0.000 0.568 110 G N -0.079 108.840 108.800 0.197 0.000 3.233 110 G HA2 0.034 3.994 3.960 0.000 0.000 0.234 110 G HA3 0.034 3.994 3.960 0.000 0.000 0.234 110 G C 1.466 176.460 174.900 0.157 0.000 1.137 110 G CA -0.191 45.015 45.100 0.177 0.000 0.763 110 G HN 0.164 nan 8.290 nan 0.000 0.549 111 I N 2.034 122.699 120.570 0.159 0.000 2.163 111 I HA -0.128 4.042 4.170 0.000 0.000 0.243 111 I C 2.829 179.041 176.117 0.158 0.000 1.085 111 I CA 1.796 63.181 61.300 0.141 0.000 1.347 111 I CB -1.123 36.951 38.000 0.123 0.000 1.044 111 I HN 0.230 nan 8.210 nan 0.000 0.408 112 G N 0.044 108.929 108.800 0.141 0.000 2.404 112 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 112 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 112 G C 1.656 176.651 174.900 0.159 0.000 1.174 112 G CA 0.734 45.903 45.100 0.115 0.000 0.780 112 G HN 0.236 nan 8.290 nan 0.000 0.537 113 M N 1.587 121.273 119.600 0.143 0.000 2.175 113 M HA 0.249 4.729 4.480 0.000 0.000 0.264 113 M C 2.606 179.018 176.300 0.186 0.000 1.063 113 M CA 1.374 56.766 55.300 0.152 0.000 1.119 113 M CB -0.447 32.229 32.600 0.126 0.000 1.377 113 M HN 0.221 nan 8.290 nan 0.000 0.415 114 A N -1.085 121.829 122.820 0.156 0.000 1.902 114 A HA -0.216 4.104 4.320 0.000 0.000 0.217 114 A C 2.300 179.964 177.584 0.134 0.000 1.181 114 A CA 1.896 54.003 52.037 0.116 0.000 0.623 114 A CB -1.234 17.819 19.000 0.088 0.000 0.818 114 A HN 0.716 nan 8.150 nan 0.000 0.443 115 H N -0.946 118.178 119.070 0.090 0.000 2.293 115 H HA -0.201 4.355 4.556 0.000 0.000 0.300 115 H C 2.085 177.481 175.328 0.114 0.000 1.082 115 H CA 2.323 58.424 56.048 0.088 0.000 1.308 115 H CB -0.534 29.280 29.762 0.086 0.000 1.375 115 H HN 0.704 nan 8.280 nan 0.000 0.495 116 H N 0.461 119.677 119.070 0.243 0.000 2.289 116 H HA -0.114 4.442 4.556 0.000 0.000 0.296 116 H C 2.236 177.625 175.328 0.102 0.000 1.091 116 H CA 2.629 58.774 56.048 0.163 0.000 1.274 116 H CB -0.455 29.374 29.762 0.112 0.000 1.364 116 H HN 0.410 nan 8.280 nan 0.000 0.490 117 A N -0.849 122.030 122.820 0.098 0.000 1.902 117 A HA -0.160 4.160 4.320 0.000 0.000 0.217 117 A C 2.527 180.129 177.584 0.030 0.000 1.181 117 A CA 2.012 54.068 52.037 0.032 0.000 0.623 117 A CB -0.986 18.064 19.000 0.084 0.000 0.818 117 A HN 0.588 nan 8.150 nan 0.000 0.443 118 T N -0.277 114.283 114.554 0.010 0.000 2.746 118 T HA -0.109 4.241 4.350 0.000 0.000 0.267 118 T C 1.880 176.623 174.700 0.071 0.000 1.039 118 T CA 1.541 63.656 62.100 0.024 0.000 1.142 118 T CB -0.410 68.420 68.868 -0.063 0.000 0.866 118 T HN 0.164 nan 8.240 nan 0.000 0.444 119 V N 1.718 121.610 119.914 -0.037 0.000 2.295 119 V HA -0.176 3.944 4.120 0.000 0.000 0.246 119 V C 2.697 178.768 176.094 -0.038 0.000 1.049 119 V CA 1.568 63.834 62.300 -0.056 0.000 1.024 119 V CB -0.532 31.257 31.823 -0.057 0.000 0.648 119 V HN 0.393 nan 8.190 nan 0.000 0.447 120 R N -1.369 119.092 120.500 -0.065 0.000 2.081 120 R HA -0.227 4.113 4.340 0.000 0.000 0.235 120 R C 2.132 178.462 176.300 0.049 0.000 1.131 120 R CA 1.992 58.058 56.100 -0.056 0.000 0.960 120 R CB -0.585 29.635 30.300 -0.133 0.000 0.856 120 R HN 0.700 nan 8.270 nan 0.000 0.436 121 W N 1.447 122.700 121.300 -0.078 0.000 2.388 121 W HA -0.106 4.555 4.660 0.000 0.000 0.294 121 W C 2.007 178.507 176.519 -0.032 0.000 1.212 121 W CA 1.215 58.529 57.345 -0.051 0.000 1.271 121 W CB -0.080 29.355 29.460 -0.041 0.000 1.126 121 W HN -0.060 nan 8.180 nan 0.000 0.535 122 M N -0.497 119.232 119.600 0.216 0.000 2.132 122 M HA -0.218 4.262 4.480 0.000 0.000 0.263 122 M C 1.851 178.178 176.300 0.045 0.000 1.065 122 M CA 1.609 56.996 55.300 0.144 0.000 1.122 122 M CB -0.805 31.923 32.600 0.213 0.000 1.365 122 M HN -0.146 nan 8.290 nan 0.000 0.411 123 V N 0.463 120.348 119.914 -0.048 0.000 2.407 123 V HA -0.278 3.842 4.120 0.000 0.000 0.248 123 V C 1.693 177.782 176.094 -0.008 0.000 1.055 123 V CA 1.798 64.101 62.300 0.005 0.000 1.049 123 V CB -0.699 31.098 31.823 -0.043 0.000 0.662 123 V HN 0.406 nan 8.190 nan 0.000 0.455 124 D N -0.216 120.112 120.400 -0.119 0.000 2.103 124 D HA -0.132 4.508 4.640 0.000 0.000 0.199 124 D C 2.318 178.432 176.300 -0.310 0.000 0.978 124 D CA 1.295 55.186 54.000 -0.182 0.000 0.829 124 D CB -0.242 40.438 40.800 -0.201 0.000 0.981 124 D HN 0.306 nan 8.370 nan 0.000 0.464 125 R N -0.048 120.094 120.500 -0.596 0.000 2.115 125 R HA -0.100 4.240 4.340 0.000 0.000 0.226 125 R C 0.450 176.325 176.300 -0.708 0.000 1.100 125 R CA 1.129 56.710 56.100 -0.866 0.000 0.980 125 R CB -0.465 28.835 30.300 -1.666 0.000 0.875 125 R HN 0.164 nan 8.270 nan 0.000 0.445 126 Y N 0.068 120.273 120.300 -0.158 0.000 2.724 126 Y HA 0.484 5.034 4.550 0.000 0.000 0.370 126 Y C 1.141 177.039 175.900 -0.003 0.000 0.978 126 Y CA -0.309 57.762 58.100 -0.048 0.000 1.443 126 Y CB 0.187 38.679 38.460 0.053 0.000 1.386 126 Y HN 0.162 nan 8.280 nan 0.000 0.557 127 A N 0.171 123.010 122.820 0.031 0.000 1.940 127 A HA -0.224 4.096 4.320 0.000 0.000 0.219 127 A C 2.359 179.952 177.584 0.016 0.000 1.176 127 A CA 2.147 54.202 52.037 0.030 0.000 0.631 127 A CB -0.700 18.286 19.000 -0.024 0.000 0.814 127 A HN 0.523 nan 8.150 nan 0.000 0.446 128 S N -1.458 114.237 115.700 -0.008 0.000 2.507 128 S HA -0.076 4.394 4.470 0.000 0.000 0.235 128 S C 1.555 176.115 174.600 -0.067 0.000 0.988 128 S CA 1.682 59.863 58.200 -0.032 0.000 0.944 128 S CB -0.586 62.594 63.200 -0.033 0.000 0.762 128 S HN 0.492 nan 8.310 nan 0.000 0.526 129 T N 0.333 114.816 114.554 -0.119 0.000 2.988 129 T HA 0.212 4.562 4.350 0.000 0.000 0.240 129 T C 0.967 175.465 174.700 -0.336 0.000 1.014 129 T CA 0.712 62.632 62.100 -0.301 0.000 1.155 129 T CB -0.300 68.205 68.868 -0.605 0.000 0.872 129 T HN 0.502 nan 8.240 nan 0.000 0.440 130 Y N 1.458 121.763 120.300 0.008 0.000 2.510 130 Y HA 0.313 4.863 4.550 0.000 0.000 0.273 130 Y C 1.539 177.434 175.900 -0.008 0.000 1.119 130 Y CA -0.028 58.067 58.100 -0.009 0.000 1.286 130 Y CB 0.029 38.497 38.460 0.013 0.000 1.061 130 Y HN 0.165 nan 8.280 nan 0.000 0.542 131 Q N 1.496 121.362 119.800 0.110 0.000 3.041 131 Q HA 0.192 4.532 4.340 0.000 0.000 0.372 131 Q C 0.036 176.047 176.000 0.020 0.000 1.241 131 Q CA -0.143 55.697 55.803 0.062 0.000 1.010 131 Q CB 0.006 28.770 28.738 0.044 0.000 1.467 131 Q HN 0.343 nan 8.270 nan 0.000 0.462 132 T N -4.600 109.957 114.554 0.005 0.000 2.693 132 T HA 0.287 4.637 4.350 0.000 0.000 0.278 132 T C 0.096 174.760 174.700 -0.060 0.000 0.994 132 T CA -0.696 61.384 62.100 -0.033 0.000 1.033 132 T CB 1.095 69.932 68.868 -0.052 0.000 1.342 132 T HN -0.102 nan 8.240 nan 0.000 0.538 133 D N 0.539 120.874 120.400 -0.108 0.000 2.339 133 D HA 0.201 4.842 4.640 0.000 0.000 0.217 133 D C -0.339 175.735 176.300 -0.376 0.000 1.050 133 D CA 0.009 53.892 54.000 -0.196 0.000 0.856 133 D CB 0.006 40.705 40.800 -0.169 0.000 0.922 133 D HN 0.397 nan 8.370 nan 0.000 0.518 134 D N 0.129 120.370 120.400 -0.266 0.000 2.372 134 D HA -0.011 4.629 4.640 0.000 0.000 0.243 134 D C -0.100 176.035 176.300 -0.276 0.000 1.121 134 D CA 0.133 53.947 54.000 -0.310 0.000 0.898 134 D CB 0.621 41.292 40.800 -0.215 0.000 1.202 134 D HN -0.029 nan 8.370 nan 0.000 0.428 135 F N 2.069 122.002 119.950 -0.028 0.000 2.423 135 F HA 0.206 4.733 4.527 0.000 0.000 0.356 135 F C 0.089 175.852 175.800 -0.061 0.000 1.170 135 F CA -0.525 57.505 58.000 0.049 0.000 1.163 135 F CB 0.003 39.084 39.000 0.136 0.000 1.318 135 F HN -0.050 nan 8.300 nan 0.000 0.569 136 L N 3.460 124.754 121.223 0.119 0.000 2.381 136 L HA 0.587 4.927 4.340 0.000 0.000 0.268 136 L C -0.910 176.016 176.870 0.094 0.000 0.997 136 L CA -1.379 53.356 54.840 -0.176 0.000 0.818 136 L CB 1.701 43.694 42.059 -0.110 0.000 1.310 136 L HN 0.566 nan 8.230 nan 0.000 0.416 137 W N 2.644 124.009 121.300 0.108 0.000 2.882 137 W HA 0.880 5.540 4.660 0.000 0.000 0.345 137 W C -1.289 175.268 176.519 0.064 0.000 1.125 137 W CA -0.947 56.436 57.345 0.062 0.000 1.167 137 W CB 0.698 30.182 29.460 0.039 0.000 1.431 137 W HN 0.236 nan 8.180 nan 0.000 0.543 138 I N 2.813 123.501 120.570 0.198 0.000 2.406 138 I HA 0.378 4.548 4.170 0.000 0.000 0.290 138 I C -0.384 175.842 176.117 0.182 0.000 0.999 138 I CA -1.276 60.076 61.300 0.086 0.000 1.124 138 I CB 1.631 39.545 38.000 -0.142 0.000 1.289 138 I HN 0.443 nan 8.210 nan 0.000 0.441 139 M N 8.005 127.732 119.600 0.212 0.000 1.998 139 M HA 0.343 4.823 4.480 0.000 0.000 0.289 139 M C -2.546 173.837 176.300 0.137 0.000 0.886 139 M CA -1.599 53.837 55.300 0.227 0.000 0.853 139 M CB 1.013 33.799 32.600 0.310 0.000 1.462 139 M HN 0.202 nan 8.290 nan 0.000 0.375 140 P HA 0.222 nan 4.420 nan 0.000 0.274 140 P C -0.558 176.716 177.300 -0.043 0.000 1.246 140 P CA -0.428 62.638 63.100 -0.056 0.000 0.795 140 P CB 1.021 32.596 31.700 -0.209 0.000 1.006 141 V N 2.146 122.006 119.914 -0.091 0.000 2.334 141 V HA 0.197 4.318 4.120 0.000 0.000 0.267 141 V C 0.219 176.253 176.094 -0.100 0.000 1.040 141 V CA -0.304 61.900 62.300 -0.160 0.000 0.866 141 V CB 1.000 32.560 31.823 -0.437 0.000 1.019 141 V HN 0.229 nan 8.190 nan 0.000 0.468 142 V N 4.407 124.308 119.914 -0.022 0.000 2.531 142 V HA 0.914 5.034 4.120 0.000 0.000 0.301 142 V C 0.233 176.339 176.094 0.020 0.000 1.034 142 V CA -0.312 61.995 62.300 0.013 0.000 0.865 142 V CB 1.587 33.461 31.823 0.085 0.000 0.995 142 V HN 0.931 nan 8.190 nan 0.000 0.424 143 A N 4.377 127.205 122.820 0.013 0.000 2.486 143 A HA 1.114 5.434 4.320 0.000 0.000 0.289 143 A C -0.877 176.728 177.584 0.036 0.000 1.176 143 A CA -0.600 51.447 52.037 0.017 0.000 0.757 143 A CB 2.212 21.214 19.000 0.002 0.000 1.337 143 A HN 1.041 nan 8.150 nan 0.000 0.423 144 E N -1.271 118.952 120.200 0.038 0.000 2.430 144 E HA 0.673 5.023 4.350 0.000 0.000 0.279 144 E C -0.665 175.966 176.600 0.052 0.000 1.003 144 E CA -0.341 56.088 56.400 0.049 0.000 0.801 144 E CB 1.261 30.998 29.700 0.062 0.000 1.313 144 E HN 0.860 nan 8.360 nan 0.000 0.459 145 T N -2.165 112.423 114.554 0.056 0.000 2.887 145 T HA 0.529 4.880 4.350 0.000 0.000 0.292 145 T C -1.383 173.371 174.700 0.090 0.000 1.087 145 T CA -0.860 61.285 62.100 0.076 0.000 1.009 145 T CB 0.902 69.815 68.868 0.075 0.000 1.203 145 T HN 0.548 nan 8.240 nan 0.000 0.518 146 Y N 2.369 122.646 120.300 -0.038 0.000 2.404 146 Y HA 0.401 4.951 4.550 0.000 0.000 0.344 146 Y C 0.049 175.906 175.900 -0.071 0.000 0.970 146 Y CA -1.118 56.934 58.100 -0.081 0.000 1.180 146 Y CB 0.729 39.139 38.460 -0.083 0.000 1.138 146 Y HN 0.811 nan 8.280 nan 0.000 0.510 147 D N 2.225 122.316 120.400 -0.514 0.000 2.615 147 D HA 0.149 4.789 4.640 0.000 0.000 0.236 147 D C 1.584 177.506 176.300 -0.630 0.000 1.233 147 D CA 0.097 53.839 54.000 -0.431 0.000 0.829 147 D CB 0.020 40.677 40.800 -0.239 0.000 1.024 147 D HN 0.730 nan 8.370 nan 0.000 0.490 148 G N 0.432 108.454 108.800 -1.297 0.000 2.479 148 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 148 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 148 G C 1.487 176.195 174.900 -0.320 0.000 1.115 148 G CA 0.686 45.284 45.100 -0.837 0.000 0.757 148 G HN 0.472 nan 8.290 nan 0.000 0.560 149 A N -0.220 122.472 122.820 -0.214 0.000 1.929 149 A HA 0.262 4.582 4.320 0.000 0.000 0.216 149 A C 2.084 179.620 177.584 -0.079 0.000 1.176 149 A CA 1.052 53.042 52.037 -0.079 0.000 0.628 149 A CB -0.104 18.876 19.000 -0.033 0.000 0.816 149 A HN 0.310 nan 8.150 nan 0.000 0.444 150 L N -1.272 119.887 121.223 -0.107 0.000 2.609 150 L HA 0.303 4.644 4.340 0.000 0.000 0.230 150 L C 0.310 177.129 176.870 -0.085 0.000 1.087 150 L CA 0.404 55.200 54.840 -0.073 0.000 0.874 150 L CB -0.569 41.455 42.059 -0.059 0.000 1.114 150 L HN 0.475 nan 8.230 nan 0.000 0.488 151 N N -0.815 117.803 118.700 -0.137 0.000 2.384 151 N HA 0.112 4.852 4.740 0.000 0.000 0.301 151 N C -0.670 174.753 175.510 -0.146 0.000 1.133 151 N CA -0.417 52.551 53.050 -0.136 0.000 0.853 151 N CB 1.345 39.731 38.487 -0.167 0.000 1.241 151 N HN -0.142 nan 8.380 nan 0.000 0.502 152 D N 2.850 123.182 120.400 -0.114 0.000 2.608 152 D HA 0.071 4.711 4.640 0.000 0.000 0.224 152 D C 1.178 177.387 176.300 -0.151 0.000 1.123 152 D CA 0.054 53.992 54.000 -0.105 0.000 1.030 152 D CB -0.692 40.064 40.800 -0.072 0.000 1.093 152 D HN 0.605 nan 8.370 nan 0.000 0.497 153 I N 1.778 122.221 120.570 -0.213 0.000 2.361 153 I HA -0.212 3.958 4.170 0.000 0.000 0.251 153 I C 1.010 176.906 176.117 -0.368 0.000 1.133 153 I CA 0.730 61.850 61.300 -0.300 0.000 1.413 153 I CB 0.183 37.936 38.000 -0.411 0.000 1.073 153 I HN 0.185 nan 8.210 nan 0.000 0.424 154 N N 0.824 119.381 118.700 -0.238 0.000 2.449 154 N HA 0.044 4.784 4.740 0.000 0.000 0.191 154 N C 1.360 176.781 175.510 -0.148 0.000 1.161 154 N CA 0.766 53.659 53.050 -0.263 0.000 0.863 154 N CB 0.260 38.743 38.487 -0.007 0.000 0.980 154 N HN 0.431 nan 8.380 nan 0.000 0.458 155 G N -0.632 108.100 108.800 -0.113 0.000 2.939 155 G HA2 0.027 3.987 3.960 0.000 0.000 0.210 155 G HA3 0.027 3.987 3.960 0.000 0.000 0.210 155 G C -0.077 174.945 174.900 0.205 0.000 1.160 155 G CA -0.435 44.711 45.100 0.076 0.000 0.770 155 G HN 0.197 nan 8.290 nan 0.000 0.543 156 F N -0.046 119.927 119.950 0.037 0.000 2.773 156 F HA -0.164 4.363 4.527 0.000 0.000 0.251 156 F C -0.591 175.220 175.800 0.019 0.000 1.020 156 F CA 0.085 58.107 58.000 0.037 0.000 0.924 156 F CB -1.247 37.773 39.000 0.032 0.000 0.919 156 F HN 0.217 nan 8.300 nan 0.000 0.846 157 P HA -0.030 nan 4.420 nan 0.000 0.222 157 P C 0.528 177.869 177.300 0.068 0.000 1.153 157 P CA 0.844 63.980 63.100 0.061 0.000 0.798 157 P CB 0.323 32.028 31.700 0.008 0.000 0.796 158 V N 2.685 122.646 119.914 0.079 0.000 2.446 158 V HA 0.096 4.216 4.120 0.000 0.000 0.276 158 V C 1.186 177.335 176.094 0.092 0.000 1.030 158 V CA 0.221 62.566 62.300 0.074 0.000 1.033 158 V CB -0.047 31.818 31.823 0.070 0.000 0.993 158 V HN 0.282 nan 8.190 nan 0.000 0.477 159 T N 0.740 115.337 114.554 0.072 0.000 2.897 159 T HA 0.327 4.677 4.350 0.000 0.000 0.278 159 T C 1.066 175.812 174.700 0.077 0.000 0.981 159 T CA -0.264 61.879 62.100 0.072 0.000 0.973 159 T CB 1.574 70.477 68.868 0.057 0.000 1.092 159 T HN 0.669 nan 8.240 nan 0.000 0.543 160 E N 0.372 120.627 120.200 0.092 0.000 2.085 160 E HA -0.184 4.166 4.350 0.000 0.000 0.194 160 E C 2.229 178.874 176.600 0.075 0.000 0.994 160 E CA 1.330 57.795 56.400 0.109 0.000 0.801 160 E CB -0.613 29.180 29.700 0.154 0.000 0.743 160 E HN 0.781 nan 8.360 nan 0.000 0.453 161 A N 1.200 124.058 122.820 0.065 0.000 1.933 161 A HA -0.210 4.110 4.320 0.000 0.000 0.218 161 A C 1.826 179.433 177.584 0.038 0.000 1.175 161 A CA 1.750 53.818 52.037 0.052 0.000 0.628 161 A CB -0.442 18.586 19.000 0.047 0.000 0.814 161 A HN 0.319 nan 8.150 nan 0.000 0.444 162 D N -0.401 120.021 120.400 0.037 0.000 2.117 162 D HA -0.133 4.508 4.640 0.000 0.000 0.197 162 D C 2.117 178.422 176.300 0.007 0.000 0.987 162 D CA 1.726 55.742 54.000 0.026 0.000 0.829 162 D CB -0.467 40.353 40.800 0.033 0.000 0.961 162 D HN 0.366 nan 8.370 nan 0.000 0.460 163 V N 0.756 120.675 119.914 0.007 0.000 2.453 163 V HA -0.130 3.990 4.120 0.000 0.000 0.247 163 V C 2.198 178.230 176.094 -0.103 0.000 1.048 163 V CA 1.238 63.515 62.300 -0.038 0.000 1.049 163 V CB -0.232 31.578 31.823 -0.021 0.000 0.672 163 V HN 0.005 nan 8.190 nan 0.000 0.457 164 R N -0.121 120.347 120.500 -0.054 0.000 2.096 164 R HA -0.119 4.221 4.340 0.000 0.000 0.235 164 R C 2.537 178.798 176.300 -0.065 0.000 1.127 164 R CA 1.610 57.671 56.100 -0.064 0.000 0.968 164 R CB -0.357 29.990 30.300 0.079 0.000 0.861 164 R HN 0.444 nan 8.270 nan 0.000 0.440 165 K N 0.555 120.941 120.400 -0.025 0.000 2.057 165 K HA -0.087 4.233 4.320 0.000 0.000 0.206 165 K C 1.895 178.468 176.600 -0.045 0.000 1.050 165 K CA 1.402 57.684 56.287 -0.009 0.000 0.935 165 K CB -0.062 32.445 32.500 0.012 0.000 0.715 165 K HN 0.139 nan 8.250 nan 0.000 0.439 166 A N 1.407 124.182 122.820 -0.076 0.000 1.877 166 A HA -0.130 4.190 4.320 0.000 0.000 0.216 166 A C 2.303 179.763 177.584 -0.206 0.000 1.186 166 A CA 1.251 53.224 52.037 -0.106 0.000 0.620 166 A CB -0.585 18.360 19.000 -0.091 0.000 0.822 166 A HN 0.286 nan 8.150 nan 0.000 0.443 167 L N -0.524 120.487 121.223 -0.353 0.000 2.083 167 L HA -0.175 4.165 4.340 0.000 0.000 0.209 167 L C 1.829 178.529 176.870 -0.282 0.000 1.083 167 L CA 1.380 55.852 54.840 -0.613 0.000 0.752 167 L CB -0.550 40.612 42.059 -1.495 0.000 0.899 167 L HN 0.282 nan 8.230 nan 0.000 0.433 168 D N -0.388 119.960 120.400 -0.086 0.000 2.269 168 D HA -0.103 4.537 4.640 0.000 0.000 0.208 168 D C 1.549 177.874 176.300 0.041 0.000 0.963 168 D CA 0.737 54.801 54.000 0.106 0.000 0.864 168 D CB -0.170 40.713 40.800 0.138 0.000 0.936 168 D HN 0.253 nan 8.370 nan 0.000 0.505 169 N N 0.346 119.035 118.700 -0.018 0.000 2.398 169 N HA -0.020 4.720 4.740 0.000 0.000 0.188 169 N C 0.346 175.827 175.510 -0.049 0.000 1.122 169 N CA -0.022 53.016 53.050 -0.019 0.000 0.866 169 N CB 0.320 38.796 38.487 -0.019 0.000 0.970 169 N HN 0.112 nan 8.380 nan 0.000 0.462 170 V N -0.694 119.179 119.914 -0.068 0.000 2.720 170 V HA 0.494 4.614 4.120 0.000 0.000 0.307 170 V C 0.347 176.415 176.094 -0.043 0.000 1.071 170 V CA -0.801 61.448 62.300 -0.086 0.000 1.199 170 V CB 0.088 31.868 31.823 -0.071 0.000 0.900 170 V HN 0.187 nan 8.190 nan 0.000 0.494 171 A N 3.762 126.543 122.820 -0.063 0.000 2.606 171 A HA 0.858 5.178 4.320 0.000 0.000 0.293 171 A C -0.103 177.446 177.584 -0.057 0.000 1.082 171 A CA -0.200 51.811 52.037 -0.043 0.000 0.685 171 A CB 1.360 20.334 19.000 -0.042 0.000 1.284 171 A HN 1.934 nan 8.150 nan 0.000 0.408 172 S N 0.044 115.716 115.700 -0.047 0.000 2.632 172 S HA 0.850 5.320 4.470 0.000 0.000 0.267 172 S C 0.858 175.363 174.600 -0.160 0.000 1.193 172 S CA 0.422 58.586 58.200 -0.060 0.000 1.003 172 S CB 0.561 63.756 63.200 -0.009 0.000 1.073 172 S HN 2.824 nan 8.310 nan 0.000 0.553 173 G N -0.126 108.496 108.800 -0.296 0.000 2.660 173 G HA2 -0.039 3.921 3.960 0.000 0.000 0.215 173 G HA3 -0.039 3.921 3.960 0.000 0.000 0.215 173 G C -3.294 171.116 174.900 -0.817 0.000 1.345 173 G CA -0.665 43.958 45.100 -0.795 0.000 0.877 173 G HN 0.791 nan 8.290 nan 0.000 0.549 174 P HA 0.395 nan 4.420 nan 0.000 0.265 174 P C -0.079 177.146 177.300 -0.127 0.000 1.187 174 P CA -0.208 62.688 63.100 -0.340 0.000 0.766 174 P CB 0.891 32.494 31.700 -0.160 0.000 0.820 175 V N 3.460 123.369 119.914 -0.009 0.000 2.495 175 V HA 0.251 4.371 4.120 0.000 0.000 0.298 175 V C 0.371 176.551 176.094 0.143 0.000 1.031 175 V CA -0.644 61.718 62.300 0.105 0.000 0.871 175 V CB 1.407 33.303 31.823 0.121 0.000 0.988 175 V HN 0.510 nan 8.190 nan 0.000 0.432 176 Q N 3.088 123.022 119.800 0.225 0.000 2.364 176 Q HA 0.294 4.634 4.340 0.000 0.000 0.267 176 Q C -0.449 175.509 176.000 -0.071 0.000 0.999 176 Q CA 0.188 56.011 55.803 0.033 0.000 0.886 176 Q CB 0.916 29.616 28.738 -0.064 0.000 1.243 176 Q HN 0.791 nan 8.270 nan 0.000 0.415 177 E N 1.021 121.167 120.200 -0.090 0.000 2.393 177 E HA 0.634 4.984 4.350 0.000 0.000 0.265 177 E C -0.108 176.425 176.600 -0.112 0.000 0.941 177 E CA -0.403 55.944 56.400 -0.087 0.000 0.801 177 E CB 1.681 31.369 29.700 -0.020 0.000 1.313 177 E HN 0.918 nan 8.360 nan 0.000 0.435 178 G N 1.270 110.024 108.800 -0.076 0.000 2.554 178 G HA2 -0.267 3.693 3.960 0.000 0.000 0.253 178 G HA3 -0.267 3.693 3.960 0.000 0.000 0.253 178 G C -0.400 174.449 174.900 -0.086 0.000 1.172 178 G CA -0.235 44.833 45.100 -0.053 0.000 0.950 178 G HN 0.489 nan 8.290 nan 0.000 0.557 179 N N 2.112 120.762 118.700 -0.083 0.000 3.178 179 N HA 0.430 5.170 4.740 0.000 0.000 0.300 179 N C 0.169 175.593 175.510 -0.143 0.000 1.242 179 N CA 0.836 53.835 53.050 -0.086 0.000 1.192 179 N CB -0.870 37.585 38.487 -0.053 0.000 1.463 179 N HN 1.143 nan 8.380 nan 0.000 0.539 180 C N -2.684 116.481 119.300 -0.224 0.000 3.086 180 C HA 0.924 5.384 4.460 0.000 0.000 0.311 180 C C 1.055 175.848 174.990 -0.329 0.000 1.260 180 C CA -0.372 58.432 59.018 -0.356 0.000 1.426 180 C CB 1.070 28.412 27.740 -0.664 0.000 1.826 180 C HN 0.657 nan 8.230 nan 0.000 0.474 181 G N 1.801 110.506 108.800 -0.158 0.000 2.566 181 G HA2 0.143 4.103 3.960 0.000 0.000 0.280 181 G HA3 0.143 4.103 3.960 0.000 0.000 0.280 181 G C 1.006 175.948 174.900 0.069 0.000 1.225 181 G CA 0.644 45.824 45.100 0.133 0.000 0.966 181 G HN 2.365 nan 8.290 nan 0.000 0.560 182 G N 0.108 108.981 108.800 0.121 0.000 2.470 182 G HA2 0.240 4.200 3.960 0.000 0.000 0.220 182 G HA3 0.240 4.200 3.960 0.000 0.000 0.220 182 G C 1.720 176.639 174.900 0.033 0.000 1.121 182 G CA 1.690 46.829 45.100 0.064 0.000 0.766 182 G HN 1.815 nan 8.290 nan 0.000 0.553 183 G N -0.126 108.688 108.800 0.024 0.000 2.650 183 G HA2 0.001 3.961 3.960 0.000 0.000 0.214 183 G HA3 0.001 3.961 3.960 0.000 0.000 0.214 183 G C 1.658 176.544 174.900 -0.023 0.000 1.136 183 G CA 1.286 46.388 45.100 0.004 0.000 0.789 183 G HN 0.329 nan 8.290 nan 0.000 0.536 184 T N 0.899 115.429 114.554 -0.040 0.000 2.620 184 T HA -0.156 4.194 4.350 0.000 0.000 0.267 184 T C 2.159 176.836 174.700 -0.038 0.000 1.044 184 T CA 1.679 63.750 62.100 -0.049 0.000 1.161 184 T CB -0.285 68.555 68.868 -0.046 0.000 0.862 184 T HN 0.355 nan 8.240 nan 0.000 0.438 185 G N 0.702 109.477 108.800 -0.042 0.000 3.434 185 G HA2 0.340 4.300 3.960 0.000 0.000 0.258 185 G HA3 0.340 4.300 3.960 0.000 0.000 0.258 185 G C 0.246 175.120 174.900 -0.043 0.000 1.128 185 G CA -0.347 44.723 45.100 -0.050 0.000 0.792 185 G HN 0.218 nan 8.290 nan 0.000 0.539 186 M N 0.680 120.271 119.600 -0.015 0.000 2.291 186 M HA 0.498 4.978 4.480 0.000 0.000 0.324 186 M C -0.304 176.015 176.300 0.033 0.000 1.148 186 M CA -0.745 54.561 55.300 0.011 0.000 1.104 186 M CB 1.321 33.944 32.600 0.038 0.000 1.483 186 M HN -0.137 nan 8.290 nan 0.000 0.467 187 I N 0.375 120.971 120.570 0.043 0.000 2.498 187 I HA 0.377 4.547 4.170 0.000 0.000 0.290 187 I C -0.177 175.976 176.117 0.059 0.000 1.032 187 I CA -0.434 60.895 61.300 0.049 0.000 1.073 187 I CB 2.285 40.293 38.000 0.013 0.000 1.251 187 I HN 0.559 nan 8.210 nan 0.000 0.426 188 T N 4.590 119.201 114.554 0.095 0.000 2.879 188 T HA 0.426 4.776 4.350 0.000 0.000 0.290 188 T C -0.532 174.256 174.700 0.148 0.000 0.993 188 T CA -0.092 62.044 62.100 0.060 0.000 0.975 188 T CB 0.272 69.249 68.868 0.181 0.000 0.981 188 T HN 0.512 nan 8.240 nan 0.000 0.439 189 Y N 2.561 122.809 120.300 -0.088 0.000 3.491 189 Y HA -0.248 4.302 4.550 0.000 0.000 0.215 189 Y C 1.520 177.308 175.900 -0.186 0.000 1.219 189 Y CA 1.406 59.446 58.100 -0.100 0.000 1.485 189 Y CB -1.807 36.663 38.460 0.017 0.000 1.450 189 Y HN 1.289 nan 8.280 nan 0.000 0.603 190 G N -2.486 106.238 108.800 -0.127 0.000 2.189 190 G HA2 -0.338 3.623 3.960 0.000 0.000 0.267 190 G HA3 -0.338 3.623 3.960 0.000 0.000 0.267 190 G C 0.023 174.729 174.900 -0.325 0.000 0.975 190 G CA 0.395 45.339 45.100 -0.261 0.000 0.644 190 G HN 0.411 nan 8.290 nan 0.000 0.537 191 F N -0.429 119.544 119.950 0.039 0.000 2.572 191 F HA 0.766 5.293 4.527 0.000 0.000 0.342 191 F C 0.575 176.398 175.800 0.038 0.000 1.064 191 F CA -1.504 56.520 58.000 0.041 0.000 1.008 191 F CB 1.060 40.096 39.000 0.061 0.000 1.303 191 F HN -0.055 nan 8.300 nan 0.000 0.492 192 K N 0.683 121.245 120.400 0.270 0.000 2.401 192 K HA 0.473 4.793 4.320 0.000 0.000 0.278 192 K C 0.024 176.711 176.600 0.144 0.000 1.018 192 K CA 0.199 56.573 56.287 0.145 0.000 0.981 192 K CB 0.326 32.885 32.500 0.098 0.000 0.933 192 K HN 0.722 nan 8.250 nan 0.000 0.477 193 G N 1.021 109.888 108.800 0.111 0.000 2.990 193 G HA2 0.752 4.712 3.960 0.000 0.000 0.208 193 G HA3 0.752 4.712 3.960 0.000 0.000 0.208 193 G C -0.113 174.831 174.900 0.074 0.000 1.334 193 G CA -0.331 44.840 45.100 0.117 0.000 1.024 193 G HN 0.930 nan 8.290 nan 0.000 0.574 194 G N -2.090 106.757 108.800 0.078 0.000 2.366 194 G HA2 0.351 4.311 3.960 0.000 0.000 0.190 194 G HA3 0.351 4.311 3.960 0.000 0.000 0.190 194 G C -0.744 174.183 174.900 0.044 0.000 1.299 194 G CA 0.112 45.235 45.100 0.038 0.000 1.056 194 G HN 0.950 nan 8.290 nan 0.000 0.468 195 T N 0.858 115.415 114.554 0.006 0.000 2.806 195 T HA 0.633 4.983 4.350 0.000 0.000 0.290 195 T C 0.424 175.145 174.700 0.034 0.000 0.966 195 T CA 0.622 62.740 62.100 0.029 0.000 1.060 195 T CB 1.174 70.029 68.868 -0.022 0.000 0.927 195 T HN 1.441 nan 8.240 nan 0.000 0.485 196 G N 0.860 109.695 108.800 0.059 0.000 2.619 196 G HA2 0.680 4.641 3.960 0.000 0.000 0.296 196 G HA3 0.680 4.641 3.960 0.000 0.000 0.296 196 G C -1.161 173.763 174.900 0.040 0.000 1.334 196 G CA -0.568 44.555 45.100 0.039 0.000 0.934 196 G HN 0.739 nan 8.290 nan 0.000 0.476 197 T N -1.436 113.128 114.554 0.016 0.000 2.853 197 T HA 0.817 5.167 4.350 0.000 0.000 0.311 197 T C -1.076 173.606 174.700 -0.030 0.000 1.307 197 T CA 0.460 62.567 62.100 0.012 0.000 1.019 197 T CB 1.599 70.498 68.868 0.051 0.000 1.264 197 T HN 1.976 nan 8.240 nan 0.000 0.497 198 A N 1.658 124.455 122.820 -0.038 0.000 2.601 198 A HA 0.895 5.215 4.320 0.000 0.000 0.291 198 A C -0.717 176.842 177.584 -0.042 0.000 1.075 198 A CA -0.159 51.838 52.037 -0.067 0.000 0.671 198 A CB 1.202 20.121 19.000 -0.136 0.000 1.277 198 A HN 1.680 nan 8.150 nan 0.000 0.417 199 S N 0.254 115.930 115.700 -0.039 0.000 2.638 199 S HA 0.954 5.424 4.470 0.000 0.000 0.274 199 S C -1.303 173.284 174.600 -0.021 0.000 1.157 199 S CA -0.918 57.268 58.200 -0.023 0.000 0.826 199 S CB 1.846 65.045 63.200 -0.001 0.000 1.139 199 S HN 0.867 nan 8.310 nan 0.000 0.474 200 R N 0.385 120.880 120.500 -0.008 0.000 2.604 200 R HA 0.619 4.959 4.340 0.000 0.000 0.281 200 R C -1.678 174.633 176.300 0.017 0.000 1.020 200 R CA -0.659 55.443 56.100 0.004 0.000 0.899 200 R CB 1.823 32.129 30.300 0.011 0.000 1.205 200 R HN 0.618 nan 8.270 nan 0.000 0.450 201 V N 3.227 123.153 119.914 0.020 0.000 2.427 201 V HA 0.516 4.636 4.120 0.000 0.000 0.286 201 V C 0.163 176.288 176.094 0.052 0.000 1.034 201 V CA -0.688 61.632 62.300 0.032 0.000 0.893 201 V CB 1.731 33.559 31.823 0.008 0.000 0.982 201 V HN 0.571 nan 8.190 nan 0.000 0.452 202 V N 1.683 121.653 119.914 0.094 0.000 2.914 202 V HA 0.702 4.822 4.120 0.000 0.000 0.314 202 V C -0.510 175.683 176.094 0.165 0.000 1.084 202 V CA -0.792 61.579 62.300 0.118 0.000 0.963 202 V CB 2.053 33.959 31.823 0.137 0.000 1.025 202 V HN 0.858 nan 8.190 nan 0.000 0.432 203 E N 1.901 122.187 120.200 0.144 0.000 2.191 203 E HA 0.535 4.885 4.350 0.000 0.000 0.278 203 E C -2.208 174.550 176.600 0.264 0.000 0.972 203 E CA -0.619 55.879 56.400 0.164 0.000 0.804 203 E CB 1.863 31.604 29.700 0.069 0.000 1.110 203 E HN 0.726 nan 8.360 nan 0.000 0.394 204 F N 2.480 122.550 119.950 0.201 0.000 2.617 204 F HA 0.361 4.888 4.527 0.000 0.000 0.325 204 F C 0.430 176.336 175.800 0.176 0.000 1.179 204 F CA 0.187 58.286 58.000 0.166 0.000 0.965 204 F CB 1.609 40.694 39.000 0.141 0.000 1.232 204 F HN 0.671 nan 8.300 nan 0.000 0.461 205 G N 3.429 112.197 108.800 -0.054 0.000 2.341 205 G HA2 0.077 4.037 3.960 0.000 0.000 0.292 205 G HA3 0.077 4.037 3.960 0.000 0.000 0.292 205 G C 1.114 176.073 174.900 0.099 0.000 1.021 205 G CA 0.810 45.930 45.100 0.034 0.000 0.905 205 G HN 2.281 nan 8.290 nan 0.000 0.508 206 G N -2.014 106.828 108.800 0.070 0.000 2.159 206 G HA2 -0.254 3.706 3.960 0.000 0.000 0.256 206 G HA3 -0.254 3.706 3.960 0.000 0.000 0.256 206 G C 0.382 175.305 174.900 0.039 0.000 0.977 206 G CA 0.985 46.112 45.100 0.045 0.000 0.652 206 G HN 0.996 nan 8.290 nan 0.000 0.531 207 R N -0.282 120.268 120.500 0.083 0.000 2.854 207 R HA 0.681 5.021 4.340 0.000 0.000 0.271 207 R C -0.734 175.434 176.300 -0.219 0.000 0.996 207 R CA -0.279 55.768 56.100 -0.089 0.000 0.961 207 R CB 1.883 32.146 30.300 -0.062 0.000 1.182 207 R HN 0.200 nan 8.270 nan 0.000 0.479 208 S N 1.354 116.777 115.700 -0.461 0.000 2.451 208 S HA 0.680 5.150 4.470 0.000 0.000 0.301 208 S C -1.228 172.988 174.600 -0.640 0.000 1.116 208 S CA -0.459 57.545 58.200 -0.328 0.000 1.093 208 S CB 0.386 63.466 63.200 -0.199 0.000 1.017 208 S HN 0.349 nan 8.310 nan 0.000 0.482 209 F N 1.159 121.117 119.950 0.014 0.000 2.640 209 F HA 0.573 5.100 4.527 0.000 0.000 0.324 209 F C 0.437 176.226 175.800 -0.018 0.000 1.077 209 F CA -0.607 57.385 58.000 -0.012 0.000 0.965 209 F CB 2.277 41.253 39.000 -0.039 0.000 1.351 209 F HN 0.348 nan 8.300 nan 0.000 0.487 210 T N 2.247 116.901 114.554 0.166 0.000 2.863 210 T HA 0.690 5.040 4.350 0.000 0.000 0.285 210 T C -1.051 173.672 174.700 0.039 0.000 1.009 210 T CA -0.364 61.780 62.100 0.073 0.000 0.989 210 T CB 1.534 70.425 68.868 0.037 0.000 1.004 210 T HN 0.185 nan 8.240 nan 0.000 0.455 211 I N 2.257 122.832 120.570 0.009 0.000 2.406 211 I HA 0.619 4.789 4.170 0.000 0.000 0.290 211 I C 0.631 176.723 176.117 -0.041 0.000 0.999 211 I CA -0.068 61.211 61.300 -0.034 0.000 1.124 211 I CB 1.716 39.699 38.000 -0.029 0.000 1.289 211 I HN 0.775 nan 8.210 nan 0.000 0.441 212 G N 3.965 112.723 108.800 -0.070 0.000 2.481 212 G HA2 0.871 4.831 3.960 0.000 0.000 0.315 212 G HA3 0.871 4.831 3.960 0.000 0.000 0.315 212 G C -1.610 173.246 174.900 -0.072 0.000 1.231 212 G CA -0.747 44.320 45.100 -0.056 0.000 0.968 212 G HN 0.775 nan 8.290 nan 0.000 0.482 213 A N 0.622 123.414 122.820 -0.047 0.000 2.414 213 A HA 0.819 5.139 4.320 0.000 0.000 0.306 213 A C -1.333 176.246 177.584 -0.009 0.000 1.054 213 A CA -0.611 51.401 52.037 -0.042 0.000 0.724 213 A CB 1.895 20.863 19.000 -0.053 0.000 1.267 213 A HN 1.133 nan 8.150 nan 0.000 0.418 214 L N 2.413 123.645 121.223 0.015 0.000 2.408 214 L HA 0.829 5.169 4.340 0.000 0.000 0.268 214 L C -1.485 175.416 176.870 0.051 0.000 0.986 214 L CA -0.621 54.248 54.840 0.048 0.000 0.820 214 L CB 1.974 44.079 42.059 0.077 0.000 1.303 214 L HN 0.553 nan 8.230 nan 0.000 0.411 215 V N 3.744 123.692 119.914 0.057 0.000 2.914 215 V HA 0.437 4.557 4.120 0.000 0.000 0.314 215 V C -0.865 175.275 176.094 0.076 0.000 1.084 215 V CA -0.495 61.837 62.300 0.055 0.000 0.963 215 V CB 2.232 34.075 31.823 0.033 0.000 1.025 215 V HN 0.833 nan 8.190 nan 0.000 0.432 216 Q N 2.942 122.787 119.800 0.075 0.000 2.456 216 Q HA 0.689 5.029 4.340 0.000 0.000 0.252 216 Q C -0.591 175.460 176.000 0.085 0.000 1.042 216 Q CA -0.520 55.332 55.803 0.081 0.000 0.766 216 Q CB 1.315 30.100 28.738 0.079 0.000 1.196 216 Q HN 0.905 nan 8.270 nan 0.000 0.504 217 A N 3.909 126.800 122.820 0.119 0.000 2.279 217 A HA 0.347 4.667 4.320 0.000 0.000 0.306 217 A C -0.062 177.662 177.584 0.233 0.000 1.300 217 A CA -0.437 51.726 52.037 0.209 0.000 0.925 217 A CB 0.171 19.343 19.000 0.287 0.000 1.152 217 A HN 0.841 nan 8.150 nan 0.000 0.544 218 N N 1.069 119.930 118.700 0.268 0.000 2.387 218 N HA 0.080 4.821 4.740 0.000 0.000 0.259 218 N C -0.339 175.285 175.510 0.190 0.000 1.369 218 N CA -0.266 52.892 53.050 0.181 0.000 0.867 218 N CB 0.276 38.836 38.487 0.121 0.000 1.341 218 N HN 0.859 nan 8.380 nan 0.000 0.495 219 H N -1.522 117.530 119.070 -0.031 0.000 2.754 219 H HA 0.807 5.363 4.556 0.000 0.000 0.352 219 H C 0.469 175.580 175.328 -0.362 0.000 1.213 219 H CA -0.161 55.829 56.048 -0.097 0.000 1.244 219 H CB 0.836 30.586 29.762 -0.019 0.000 1.843 219 H HN 0.110 nan 8.280 nan 0.000 0.587 220 G N 0.182 108.732 108.800 -0.417 0.000 2.730 220 G HA2 -0.104 3.856 3.960 0.000 0.000 0.686 220 G HA3 -0.104 3.856 3.960 0.000 0.000 0.686 220 G C -1.311 173.227 174.900 -0.603 0.000 1.343 220 G CA -0.485 44.193 45.100 -0.703 0.000 0.826 220 G HN 0.851 nan 8.290 nan 0.000 0.582 221 Q N -0.691 118.679 119.800 -0.716 0.000 2.377 221 Q HA 0.592 4.932 4.340 0.000 0.000 0.271 221 Q C 1.283 177.058 176.000 -0.374 0.000 1.077 221 Q CA -1.076 54.270 55.803 -0.761 0.000 0.820 221 Q CB 1.979 29.856 28.738 -1.436 0.000 1.347 221 Q HN 0.617 nan 8.270 nan 0.000 0.444 222 R N 1.191 121.524 120.500 -0.278 0.000 2.096 222 R HA -0.211 4.129 4.340 0.000 0.000 0.240 222 R C 0.874 177.128 176.300 -0.077 0.000 1.139 222 R CA 2.322 58.333 56.100 -0.150 0.000 0.952 222 R CB -0.171 29.977 30.300 -0.252 0.000 0.854 222 R HN 0.689 nan 8.270 nan 0.000 0.436 223 D N -0.905 119.392 120.400 -0.171 0.000 2.182 223 D HA -0.202 4.438 4.640 0.000 0.000 0.201 223 D C 1.409 177.807 176.300 0.164 0.000 0.986 223 D CA 1.057 55.031 54.000 -0.044 0.000 0.847 223 D CB -0.249 40.509 40.800 -0.071 0.000 0.942 223 D HN 0.398 nan 8.370 nan 0.000 0.467 224 W N 0.619 121.981 121.300 0.104 0.000 2.678 224 W HA 0.176 4.836 4.660 0.000 0.000 0.256 224 W C 0.652 177.223 176.519 0.086 0.000 1.280 224 W CA -0.785 56.636 57.345 0.127 0.000 1.345 224 W CB -1.189 28.399 29.460 0.213 0.000 1.118 224 W HN -0.044 nan 8.180 nan 0.000 0.629 225 L N 2.206 123.572 121.223 0.238 0.000 2.584 225 L HA 0.099 4.439 4.340 0.000 0.000 0.272 225 L C -0.008 176.816 176.870 -0.077 0.000 1.195 225 L CA 1.399 56.171 54.840 -0.114 0.000 0.920 225 L CB 0.297 42.285 42.059 -0.119 0.000 1.173 225 L HN -0.262 nan 8.230 nan 0.000 0.489 226 T N 6.922 121.386 114.554 -0.150 0.000 2.841 226 T HA 0.614 4.965 4.350 0.000 0.000 0.285 226 T C -0.419 174.202 174.700 -0.132 0.000 0.991 226 T CA -0.246 61.794 62.100 -0.101 0.000 0.966 226 T CB 0.913 69.747 68.868 -0.057 0.000 0.962 226 T HN 0.443 nan 8.240 nan 0.000 0.438 227 I N 2.189 122.683 120.570 -0.126 0.000 2.499 227 I HA 0.501 4.671 4.170 0.000 0.000 0.288 227 I C 0.646 176.670 176.117 -0.156 0.000 1.048 227 I CA -0.883 60.342 61.300 -0.125 0.000 1.062 227 I CB 1.696 39.630 38.000 -0.109 0.000 1.238 227 I HN 0.898 nan 8.210 nan 0.000 0.426 228 A N 4.582 127.289 122.820 -0.188 0.000 2.832 228 A HA -0.128 4.192 4.320 0.000 0.000 0.280 228 A C 1.420 178.912 177.584 -0.153 0.000 1.464 228 A CA 1.144 53.052 52.037 -0.215 0.000 0.804 228 A CB -1.958 16.898 19.000 -0.240 0.000 1.020 228 A HN 1.968 nan 8.150 nan 0.000 0.563 229 G N -3.858 104.866 108.800 -0.126 0.000 2.162 229 G HA2 -0.012 3.949 3.960 0.000 0.000 0.260 229 G HA3 -0.012 3.949 3.960 0.000 0.000 0.260 229 G C 0.328 175.140 174.900 -0.147 0.000 0.976 229 G CA 0.597 45.634 45.100 -0.105 0.000 0.655 229 G HN 1.846 nan 8.290 nan 0.000 0.533 230 V N 2.065 121.856 119.914 -0.204 0.000 2.481 230 V HA 0.488 4.608 4.120 0.000 0.000 0.286 230 V C -1.403 174.545 176.094 -0.243 0.000 1.042 230 V CA -1.377 60.709 62.300 -0.356 0.000 0.928 230 V CB 1.786 33.332 31.823 -0.462 0.000 0.986 230 V HN 0.151 nan 8.190 nan 0.000 0.462 231 P HA 0.099 nan 4.420 nan 0.000 0.235 231 P C 0.953 178.278 177.300 0.041 0.000 1.765 231 P CA 0.148 63.212 63.100 -0.060 0.000 1.034 231 P CB 0.539 32.225 31.700 -0.023 0.000 1.984 232 V N 2.212 122.136 119.914 0.017 0.000 2.469 232 V HA -0.193 3.927 4.120 0.000 0.000 0.251 232 V C 2.749 178.936 176.094 0.154 0.000 1.064 232 V CA 2.657 65.015 62.300 0.097 0.000 1.066 232 V CB -1.450 30.385 31.823 0.020 0.000 0.667 232 V HN 0.401 nan 8.190 nan 0.000 0.461 233 G N -0.990 107.871 108.800 0.102 0.000 2.448 233 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 233 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 233 G C 1.439 176.369 174.900 0.050 0.000 1.127 233 G CA 0.381 45.537 45.100 0.094 0.000 0.766 233 G HN 0.482 nan 8.290 nan 0.000 0.552 234 Q N 0.058 119.864 119.800 0.011 0.000 2.297 234 Q HA -0.014 4.326 4.340 0.000 0.000 0.204 234 Q C 1.919 177.799 176.000 -0.201 0.000 0.962 234 Q CA 0.830 56.568 55.803 -0.110 0.000 0.879 234 Q CB -0.174 28.460 28.738 -0.174 0.000 0.947 234 Q HN 0.664 nan 8.270 nan 0.000 0.462 235 H N -1.255 117.856 119.070 0.068 0.000 2.553 235 H HA 0.249 4.805 4.556 0.000 0.000 0.276 235 H C 0.389 175.766 175.328 0.081 0.000 0.979 235 H CA 0.266 56.362 56.048 0.080 0.000 1.268 235 H CB 0.619 30.442 29.762 0.101 0.000 1.450 235 H HN 0.154 nan 8.280 nan 0.000 0.527 236 M N 1.311 121.034 119.600 0.205 0.000 2.480 236 M HA 0.273 4.753 4.480 0.000 0.000 0.320 236 M C 0.713 177.081 176.300 0.114 0.000 1.141 236 M CA -0.099 55.320 55.300 0.199 0.000 1.102 236 M CB 1.445 34.233 32.600 0.313 0.000 1.249 236 M HN -0.064 nan 8.290 nan 0.000 0.446 237 R N 0.789 121.319 120.500 0.051 0.000 2.254 237 R HA 0.049 4.389 4.340 0.000 0.000 0.195 237 R C 0.255 176.529 176.300 -0.044 0.000 0.957 237 R CA 0.434 56.525 56.100 -0.016 0.000 1.024 237 R CB 0.240 30.532 30.300 -0.013 0.000 0.952 237 R HN 0.681 nan 8.270 nan 0.000 0.484 238 D N -0.427 119.967 120.400 -0.010 0.000 2.329 238 D HA 0.117 4.758 4.640 0.000 0.000 0.246 238 D C 0.828 177.098 176.300 -0.051 0.000 1.111 238 D CA 0.333 54.322 54.000 -0.019 0.000 0.941 238 D CB 1.116 41.927 40.800 0.019 0.000 1.169 238 D HN 0.116 nan 8.370 nan 0.000 0.441 239 G N 1.003 109.774 108.800 -0.049 0.000 2.148 239 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 239 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 239 G C 0.505 175.338 174.900 -0.112 0.000 0.981 239 G CA 0.704 45.770 45.100 -0.056 0.000 0.670 239 G HN 1.078 nan 8.290 nan 0.000 0.528 240 T N -1.509 112.956 114.554 -0.147 0.000 2.932 240 T HA 0.462 4.813 4.350 0.000 0.000 0.312 240 T C -0.449 174.179 174.700 -0.121 0.000 1.071 240 T CA -0.402 61.591 62.100 -0.178 0.000 1.128 240 T CB 1.631 70.386 68.868 -0.187 0.000 0.984 240 T HN -0.012 nan 8.240 nan 0.000 0.549 241 P HA -0.176 nan 4.420 nan 0.000 0.216 241 P C 1.745 179.002 177.300 -0.073 0.000 1.157 241 P CA 1.243 64.294 63.100 -0.082 0.000 0.880 241 P CB 0.035 31.686 31.700 -0.082 0.000 0.791 242 Q N -0.143 119.603 119.800 -0.090 0.000 2.096 242 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 242 Q C 2.166 178.128 176.000 -0.063 0.000 0.982 242 Q CA 2.343 58.099 55.803 -0.078 0.000 0.850 242 Q CB -0.450 28.229 28.738 -0.097 0.000 0.901 242 Q HN 0.278 nan 8.270 nan 0.000 0.422 243 S N -0.675 114.985 115.700 -0.068 0.000 2.447 243 S HA -0.153 4.317 4.470 0.000 0.000 0.233 243 S C 1.544 176.119 174.600 -0.042 0.000 1.006 243 S CA 1.100 59.268 58.200 -0.053 0.000 0.957 243 S CB -0.081 63.085 63.200 -0.056 0.000 0.773 243 S HN 0.461 nan 8.310 nan 0.000 0.507 244 Q N 0.146 119.921 119.800 -0.042 0.000 2.376 244 Q HA 0.374 4.714 4.340 0.000 0.000 0.206 244 Q C 0.452 176.436 176.000 -0.027 0.000 0.921 244 Q CA 0.237 56.020 55.803 -0.033 0.000 0.911 244 Q CB 0.075 28.793 28.738 -0.032 0.000 1.032 244 Q HN 0.526 nan 8.270 nan 0.000 0.510 251 I N 2.357 122.937 120.570 0.016 0.000 2.610 251 I HA 0.533 4.703 4.170 0.000 0.000 0.289 251 I C -1.825 174.331 176.117 0.065 0.000 1.163 251 I CA -0.811 60.462 61.300 -0.044 0.000 1.044 251 I CB 0.755 38.532 38.000 -0.372 0.000 1.251 251 I HN 0.552 nan 8.210 nan 0.000 0.424 252 I N 8.091 128.705 120.570 0.074 0.000 2.359 252 I HA 0.406 4.576 4.170 0.000 0.000 0.294 252 I C -0.296 175.903 176.117 0.136 0.000 0.987 252 I CA -0.674 60.695 61.300 0.114 0.000 1.225 252 I CB 1.542 39.587 38.000 0.076 0.000 1.366 252 I HN 0.226 nan 8.210 nan 0.000 0.466 253 V N 7.240 127.289 119.914 0.225 0.000 2.448 253 V HA 0.440 4.560 4.120 0.000 0.000 0.295 253 V C -0.084 176.088 176.094 0.130 0.000 1.025 253 V CA -0.705 61.668 62.300 0.122 0.000 0.859 253 V CB 2.455 34.274 31.823 -0.008 0.000 0.988 253 V HN 0.417 nan 8.190 nan 0.000 0.431 254 V N 6.690 126.654 119.914 0.084 0.000 2.409 254 V HA 0.504 4.624 4.120 0.000 0.000 0.291 254 V C -0.305 175.802 176.094 0.020 0.000 1.020 254 V CA -0.436 61.926 62.300 0.104 0.000 0.848 254 V CB 1.613 33.524 31.823 0.147 0.000 0.990 254 V HN 0.631 nan 8.190 nan 0.000 0.430 255 L N 4.470 125.676 121.223 -0.027 0.000 2.322 255 L HA 0.896 5.236 4.340 0.000 0.000 0.281 255 L C 0.174 176.814 176.870 -0.382 0.000 1.014 255 L CA -0.382 54.376 54.840 -0.136 0.000 0.815 255 L CB 1.848 43.853 42.059 -0.090 0.000 1.247 255 L HN 0.732 nan 8.230 nan 0.000 0.421 256 A N 1.992 124.530 122.820 -0.471 0.000 2.386 256 A HA 0.852 5.172 4.320 0.000 0.000 0.311 256 A C -0.614 176.740 177.584 -0.384 0.000 1.068 256 A CA -0.477 51.073 52.037 -0.811 0.000 0.743 256 A CB 2.091 20.651 19.000 -0.733 0.000 1.258 256 A HN 0.559 nan 8.150 nan 0.000 0.429 257 T N -0.387 113.980 114.554 -0.312 0.000 2.868 257 T HA 0.478 4.828 4.350 0.000 0.000 0.306 257 T C -0.870 173.796 174.700 -0.056 0.000 1.224 257 T CA 0.064 62.083 62.100 -0.136 0.000 1.012 257 T CB 1.404 70.195 68.868 -0.128 0.000 1.221 257 T HN 0.695 nan 8.240 nan 0.000 0.499 258 D N 2.149 122.572 120.400 0.038 0.000 2.340 258 D HA 0.156 4.796 4.640 0.000 0.000 0.217 258 D C 0.681 177.052 176.300 0.119 0.000 1.081 258 D CA -0.331 53.741 54.000 0.120 0.000 0.842 258 D CB -0.206 40.704 40.800 0.184 0.000 0.934 258 D HN 0.261 nan 8.370 nan 0.000 0.511 259 L N 2.289 123.433 121.223 -0.132 0.000 2.456 259 L HA 0.238 4.578 4.340 0.000 0.000 0.272 259 L C -2.285 174.370 176.870 -0.358 0.000 1.189 259 L CA -1.549 52.914 54.840 -0.629 0.000 0.846 259 L CB 0.366 41.992 42.059 -0.722 0.000 1.111 259 L HN -0.149 nan 8.230 nan 0.000 0.475 260 P HA 0.173 nan 4.420 nan 0.000 0.274 260 P C -1.245 175.918 177.300 -0.228 0.000 1.470 260 P CA -0.323 62.667 63.100 -0.183 0.000 1.001 260 P CB 0.586 32.220 31.700 -0.110 0.000 1.332 261 L N 4.174 125.291 121.223 -0.176 0.000 2.342 261 L HA 0.550 4.891 4.340 0.000 0.000 0.271 261 L C 0.593 177.357 176.870 -0.177 0.000 1.008 261 L CA -0.929 53.795 54.840 -0.194 0.000 0.818 261 L CB 1.656 43.611 42.059 -0.173 0.000 1.296 261 L HN 0.288 nan 8.230 nan 0.000 0.427 262 M N 2.510 121.961 119.600 -0.248 0.000 2.613 262 M HA 0.365 4.845 4.480 0.000 0.000 0.301 262 M C -1.381 174.810 176.300 -0.183 0.000 1.205 262 M CA -2.007 53.134 55.300 -0.265 0.000 0.950 262 M CB 0.860 33.359 32.600 -0.168 0.000 1.585 262 M HN 0.205 nan 8.290 nan 0.000 0.490 263 P HA -0.199 nan 4.420 nan 0.000 0.216 263 P C 1.314 178.638 177.300 0.040 0.000 1.153 263 P CA 1.667 64.802 63.100 0.058 0.000 0.858 263 P CB -0.282 31.483 31.700 0.108 0.000 0.789 264 H N -0.752 118.325 119.070 0.013 0.000 2.457 264 H HA -0.019 4.537 4.556 0.000 0.000 0.294 264 H C 1.511 176.860 175.328 0.034 0.000 1.064 264 H CA 1.154 57.217 56.048 0.025 0.000 1.330 264 H CB -0.880 28.893 29.762 0.018 0.000 1.395 264 H HN 0.254 nan 8.280 nan 0.000 0.541 265 Q N 0.412 119.888 119.800 -0.539 0.000 2.187 265 Q HA 0.095 4.435 4.340 0.000 0.000 0.199 265 Q C 2.608 178.557 176.000 -0.086 0.000 0.957 265 Q CA 0.653 56.282 55.803 -0.290 0.000 0.857 265 Q CB 0.299 28.812 28.738 -0.374 0.000 0.929 265 Q HN 0.381 nan 8.270 nan 0.000 0.453 266 L N 0.556 121.741 121.223 -0.064 0.000 2.217 266 L HA -0.141 4.199 4.340 0.000 0.000 0.211 266 L C 2.141 179.047 176.870 0.060 0.000 1.107 266 L CA 0.984 55.837 54.840 0.021 0.000 0.783 266 L CB -0.144 41.957 42.059 0.071 0.000 0.919 266 L HN 0.091 nan 8.230 nan 0.000 0.442 267 K N -0.072 120.364 120.400 0.060 0.000 2.097 267 K HA -0.127 4.193 4.320 0.000 0.000 0.205 267 K C 2.240 178.867 176.600 0.044 0.000 1.050 267 K CA 1.119 57.455 56.287 0.081 0.000 0.938 267 K CB -0.051 32.504 32.500 0.092 0.000 0.718 267 K HN 0.305 nan 8.250 nan 0.000 0.442 268 R N 0.554 121.069 120.500 0.025 0.000 2.075 268 R HA -0.117 4.223 4.340 0.000 0.000 0.232 268 R C 2.343 178.603 176.300 -0.067 0.000 1.126 268 R CA 0.925 57.007 56.100 -0.029 0.000 0.963 268 R CB -0.486 29.826 30.300 0.019 0.000 0.858 268 R HN 0.086 nan 8.270 nan 0.000 0.435 269 L N 1.156 122.407 121.223 0.046 0.000 2.012 269 L HA -0.120 4.220 4.340 0.000 0.000 0.210 269 L C 2.321 179.196 176.870 0.008 0.000 1.073 269 L CA 1.985 56.865 54.840 0.067 0.000 0.748 269 L CB -0.714 41.403 42.059 0.097 0.000 0.891 269 L HN 0.157 nan 8.230 nan 0.000 0.431 270 A N -0.707 122.145 122.820 0.055 0.000 1.940 270 A HA -0.262 4.058 4.320 0.000 0.000 0.219 270 A C 2.523 180.190 177.584 0.138 0.000 1.176 270 A CA 1.810 53.921 52.037 0.124 0.000 0.631 270 A CB -0.669 18.460 19.000 0.215 0.000 0.814 270 A HN 0.497 nan 8.150 nan 0.000 0.446 271 R N -0.792 119.706 120.500 -0.005 0.000 2.152 271 R HA -0.080 4.260 4.340 0.000 0.000 0.232 271 R C 1.913 178.113 176.300 -0.165 0.000 1.117 271 R CA 0.768 56.738 56.100 -0.217 0.000 0.981 271 R CB -0.091 29.957 30.300 -0.420 0.000 0.870 271 R HN 0.322 nan 8.270 nan 0.000 0.451 272 R N -0.234 120.154 120.500 -0.187 0.000 2.237 272 R HA -0.027 4.313 4.340 0.000 0.000 0.219 272 R C 1.827 177.992 176.300 -0.226 0.000 1.080 272 R CA 1.003 56.975 56.100 -0.213 0.000 0.995 272 R CB -0.463 29.707 30.300 -0.217 0.000 0.875 272 R HN 0.217 nan 8.270 nan 0.000 0.462 273 A N 0.631 123.263 122.820 -0.313 0.000 2.121 273 A HA -0.073 4.248 4.320 0.000 0.000 0.218 273 A C 2.192 179.336 177.584 -0.734 0.000 1.154 273 A CA 1.155 52.813 52.037 -0.632 0.000 0.679 273 A CB -0.263 18.109 19.000 -1.047 0.000 0.795 273 A HN 0.198 nan 8.150 nan 0.000 0.458 274 S N 0.068 115.544 115.700 -0.374 0.000 2.359 274 S HA -0.145 4.325 4.470 0.000 0.000 0.224 274 S C 1.753 176.173 174.600 -0.300 0.000 1.035 274 S CA 1.596 59.602 58.200 -0.322 0.000 1.018 274 S CB -0.424 62.707 63.200 -0.115 0.000 0.876 274 S HN 0.620 nan 8.310 nan 0.000 0.448 275 I N 1.315 121.764 120.570 -0.201 0.000 2.315 275 I HA -0.093 4.077 4.170 0.000 0.000 0.248 275 I C 2.672 178.714 176.117 -0.126 0.000 1.117 275 I CA 0.980 62.200 61.300 -0.132 0.000 1.404 275 I CB -0.840 37.102 38.000 -0.097 0.000 1.071 275 I HN 0.363 nan 8.210 nan 0.000 0.419 276 G N 2.152 110.849 108.800 -0.172 0.000 2.421 276 G HA2 -0.246 3.714 3.960 0.000 0.000 0.216 276 G HA3 -0.246 3.714 3.960 0.000 0.000 0.216 276 G C 1.663 176.500 174.900 -0.104 0.000 1.171 276 G CA 1.088 46.106 45.100 -0.137 0.000 0.775 276 G HN 0.589 nan 8.290 nan 0.000 0.543 277 I N -1.320 119.146 120.570 -0.174 0.000 2.676 277 I HA 0.206 4.376 4.170 0.000 0.000 0.259 277 I C 2.483 178.636 176.117 0.060 0.000 1.194 277 I CA 1.121 62.405 61.300 -0.026 0.000 1.473 277 I CB -0.448 37.514 38.000 -0.063 0.000 1.096 277 I HN 0.036 nan 8.210 nan 0.000 0.443 278 G N 1.274 110.055 108.800 -0.031 0.000 2.471 278 G HA2 -0.128 3.832 3.960 0.000 0.000 0.219 278 G HA3 -0.128 3.832 3.960 0.000 0.000 0.219 278 G C 1.684 176.604 174.900 0.033 0.000 1.125 278 G CA 0.033 45.135 45.100 0.003 0.000 0.775 278 G HN 0.224 nan 8.290 nan 0.000 0.548 279 R N 0.654 121.169 120.500 0.026 0.000 2.127 279 R HA -0.021 4.319 4.340 0.000 0.000 0.238 279 R C 1.266 177.585 176.300 0.031 0.000 1.134 279 R CA 0.779 56.894 56.100 0.025 0.000 0.975 279 R CB -0.326 29.992 30.300 0.030 0.000 0.865 279 R HN 0.322 nan 8.270 nan 0.000 0.447 280 N N -0.848 117.895 118.700 0.071 0.000 2.270 280 N HA 0.059 4.799 4.740 0.000 0.000 0.198 280 N C 0.940 176.444 175.510 -0.010 0.000 1.117 280 N CA 0.859 53.900 53.050 -0.016 0.000 0.845 280 N CB 1.404 39.853 38.487 -0.064 0.000 0.980 280 N HN 0.414 nan 8.380 nan 0.000 0.486 281 G N -0.050 108.828 108.800 0.129 0.000 2.428 281 G HA2 -0.237 3.724 3.960 0.000 0.000 0.199 281 G HA3 -0.237 3.724 3.960 0.000 0.000 0.199 281 G C 0.383 175.411 174.900 0.213 0.000 1.005 281 G CA 0.068 45.274 45.100 0.177 0.000 0.671 281 G HN 0.364 nan 8.290 nan 0.000 0.485 282 T N 2.837 117.603 114.554 0.353 0.000 2.932 282 T HA 0.480 4.830 4.350 0.000 0.000 0.312 282 T C -0.537 174.076 174.700 -0.144 0.000 1.071 282 T CA 0.011 62.181 62.100 0.116 0.000 1.128 282 T CB 1.337 70.386 68.868 0.301 0.000 0.984 282 T HN 0.137 nan 8.240 nan 0.000 0.549 283 P HA 0.280 nan 4.420 nan 0.000 0.261 283 P C 0.230 177.515 177.300 -0.024 0.000 1.268 283 P CA 0.125 63.075 63.100 -0.250 0.000 0.833 283 P CB -0.137 31.303 31.700 -0.433 0.000 1.231 284 G N 0.123 108.951 108.800 0.047 0.000 2.929 284 G HA2 0.078 4.038 3.960 0.000 0.000 0.335 284 G HA3 0.078 4.038 3.960 0.000 0.000 0.335 284 G C 0.190 175.183 174.900 0.155 0.000 1.054 284 G CA -0.683 44.588 45.100 0.285 0.000 1.067 284 G HN 0.491 nan 8.290 nan 0.000 0.472 285 G N 0.766 109.687 108.800 0.202 0.000 2.569 285 G HA2 0.433 4.393 3.960 0.000 0.000 0.249 285 G HA3 0.433 4.393 3.960 0.000 0.000 0.249 285 G C 0.989 175.963 174.900 0.123 0.000 1.216 285 G CA 0.385 45.611 45.100 0.209 0.000 0.845 285 G HN 0.913 nan 8.290 nan 0.000 0.568 286 N N 0.474 119.226 118.700 0.087 0.000 2.120 286 N HA -0.144 4.596 4.740 0.000 0.000 0.188 286 N C 1.641 177.164 175.510 0.021 0.000 1.024 286 N CA 1.489 54.558 53.050 0.032 0.000 0.852 286 N CB 0.029 38.529 38.487 0.022 0.000 1.003 286 N HN 0.395 nan 8.380 nan 0.000 0.424 287 N N -0.521 118.199 118.700 0.035 0.000 2.461 287 N HA 0.013 4.753 4.740 0.000 0.000 0.188 287 N C -0.641 174.880 175.510 0.018 0.000 1.134 287 N CA 0.180 53.231 53.050 0.002 0.000 0.878 287 N CB 0.042 38.520 38.487 -0.015 0.000 0.972 287 N HN 0.064 nan 8.380 nan 0.000 0.456 288 S N -0.059 115.678 115.700 0.061 0.000 2.439 288 S HA 0.430 4.901 4.470 0.000 0.000 0.282 288 S C 0.478 175.111 174.600 0.055 0.000 1.170 288 S CA -0.841 57.412 58.200 0.087 0.000 1.054 288 S CB 0.257 63.555 63.200 0.162 0.000 0.956 288 S HN 0.293 nan 8.310 nan 0.000 0.490 289 G N 3.777 112.596 108.800 0.030 0.000 2.519 289 G HA2 0.282 4.242 3.960 0.000 0.000 0.306 289 G HA3 0.282 4.242 3.960 0.000 0.000 0.306 289 G C -0.809 174.082 174.900 -0.015 0.000 0.965 289 G CA -0.493 44.602 45.100 -0.008 0.000 1.291 289 G HN 0.661 nan 8.290 nan 0.000 0.450 290 D N 2.474 122.849 120.400 -0.041 0.000 2.473 290 D HA 0.372 5.012 4.640 0.000 0.000 0.226 290 D C 0.048 176.054 176.300 -0.490 0.000 1.089 290 D CA 0.102 54.051 54.000 -0.086 0.000 0.883 290 D CB 1.438 42.325 40.800 0.145 0.000 1.029 290 D HN 0.265 nan 8.370 nan 0.000 0.517 291 I N 2.230 122.546 120.570 -0.424 0.000 2.499 291 I HA 0.389 4.559 4.170 0.000 0.000 0.288 291 I C -0.945 175.050 176.117 -0.203 0.000 1.048 291 I CA -0.913 60.104 61.300 -0.470 0.000 1.062 291 I CB 1.389 39.266 38.000 -0.206 0.000 1.238 291 I HN -0.028 nan 8.210 nan 0.000 0.426 292 F N 6.474 126.447 119.950 0.038 0.000 2.520 292 F HA 0.645 5.172 4.527 0.000 0.000 0.322 292 F C -0.178 175.660 175.800 0.063 0.000 1.103 292 F CA -1.300 56.731 58.000 0.052 0.000 0.926 292 F CB 1.664 40.714 39.000 0.084 0.000 1.154 292 F HN 0.216 nan 8.300 nan 0.000 0.453 293 I N 1.926 122.644 120.570 0.246 0.000 2.545 293 I HA 0.853 5.023 4.170 0.000 0.000 0.292 293 I C -1.378 174.863 176.117 0.207 0.000 1.040 293 I CA -0.643 60.772 61.300 0.192 0.000 1.068 293 I CB 1.641 39.714 38.000 0.120 0.000 1.251 293 I HN 0.724 nan 8.210 nan 0.000 0.424 294 A N 6.865 129.813 122.820 0.213 0.000 2.371 294 A HA 0.840 5.160 4.320 0.000 0.000 0.311 294 A C -1.273 176.473 177.584 0.270 0.000 1.068 294 A CA -0.420 51.702 52.037 0.140 0.000 0.744 294 A CB 1.027 20.070 19.000 0.072 0.000 1.239 294 A HN 0.694 nan 8.150 nan 0.000 0.435 295 F N 0.278 120.315 119.950 0.145 0.000 2.629 295 F HA 0.864 5.392 4.527 0.000 0.000 0.316 295 F C -0.246 175.598 175.800 0.072 0.000 1.081 295 F CA -0.914 57.177 58.000 0.152 0.000 0.954 295 F CB 1.521 40.663 39.000 0.237 0.000 1.337 295 F HN 0.526 nan 8.300 nan 0.000 0.474 296 S N -0.132 115.741 115.700 0.288 0.000 2.536 296 S HA 0.488 4.958 4.470 0.000 0.000 0.298 296 S C -0.146 174.597 174.600 0.239 0.000 1.083 296 S CA -0.292 57.997 58.200 0.149 0.000 0.995 296 S CB 1.793 65.051 63.200 0.096 0.000 1.058 296 S HN 0.855 nan 8.310 nan 0.000 0.488 297 T N 2.733 117.382 114.554 0.158 0.000 3.105 297 T HA 0.457 4.807 4.350 0.000 0.000 0.253 297 T C 0.587 175.419 174.700 0.220 0.000 1.047 297 T CA 0.364 62.547 62.100 0.138 0.000 0.944 297 T CB -0.408 68.474 68.868 0.023 0.000 1.016 297 T HN 0.770 nan 8.240 nan 0.000 0.544 298 A N 1.058 123.983 122.820 0.174 0.000 2.272 298 A HA 0.559 4.879 4.320 0.000 0.000 0.275 298 A C 0.571 178.257 177.584 0.170 0.000 1.096 298 A CA -0.422 51.709 52.037 0.157 0.000 0.822 298 A CB -0.143 18.918 19.000 0.102 0.000 1.088 298 A HN 0.574 nan 8.150 nan 0.000 0.495 299 N N -0.655 118.123 118.700 0.131 0.000 2.756 299 N HA -0.144 4.596 4.740 0.000 0.000 0.248 299 N C -0.691 174.872 175.510 0.088 0.000 1.062 299 N CA 0.734 53.864 53.050 0.133 0.000 0.696 299 N CB -1.158 37.464 38.487 0.224 0.000 0.946 299 N HN 0.768 nan 8.380 nan 0.000 0.548 300 Q N 0.645 120.452 119.800 0.013 0.000 2.349 300 Q HA 0.179 4.520 4.340 0.000 0.000 0.287 300 Q C 0.597 176.532 176.000 -0.108 0.000 1.044 300 Q CA 0.508 56.242 55.803 -0.115 0.000 0.918 300 Q CB 0.600 29.220 28.738 -0.198 0.000 1.242 300 Q HN 0.469 nan 8.270 nan 0.000 0.405 301 R N 0.934 121.331 120.500 -0.172 0.000 2.752 301 R HA 0.643 4.983 4.340 0.000 0.000 0.271 301 R C -3.021 173.158 176.300 -0.202 0.000 1.026 301 R CA -2.079 53.931 56.100 -0.150 0.000 0.901 301 R CB 0.251 30.476 30.300 -0.126 0.000 1.243 301 R HN 0.273 nan 8.270 nan 0.000 0.463 302 P HA 0.169 nan 4.420 nan 0.000 0.274 302 P C -0.415 176.751 177.300 -0.223 0.000 1.256 302 P CA -0.531 62.448 63.100 -0.203 0.000 0.795 302 P CB 0.500 32.087 31.700 -0.187 0.000 1.038 303 M N 0.388 119.860 119.600 -0.212 0.000 2.167 303 M HA 0.009 4.489 4.480 0.000 0.000 0.300 303 M C 2.014 178.265 176.300 -0.083 0.000 1.171 303 M CA 0.388 55.606 55.300 -0.138 0.000 1.171 303 M CB -0.031 32.568 32.600 -0.003 0.000 1.396 303 M HN 0.459 nan 8.290 nan 0.000 0.466 304 Q N 0.886 120.701 119.800 0.025 0.000 2.112 304 Q HA -0.258 4.082 4.340 0.000 0.000 0.206 304 Q C 1.644 177.676 176.000 0.054 0.000 0.987 304 Q CA 2.548 58.390 55.803 0.065 0.000 0.858 304 Q CB -0.211 28.623 28.738 0.161 0.000 0.905 304 Q HN 0.887 nan 8.270 nan 0.000 0.420 305 H N -2.257 116.763 119.070 -0.084 0.000 2.546 305 H HA 0.120 4.676 4.556 0.000 0.000 0.277 305 H C 1.139 176.414 175.328 -0.088 0.000 1.004 305 H CA 0.482 56.478 56.048 -0.086 0.000 1.231 305 H CB 0.168 29.863 29.762 -0.112 0.000 1.382 305 H HN 0.100 nan 8.280 nan 0.000 0.580 306 R N 0.511 120.729 120.500 -0.470 0.000 2.543 306 R HA 0.278 4.618 4.340 0.000 0.000 0.323 306 R C -0.346 175.823 176.300 -0.218 0.000 1.002 306 R CA -0.148 55.709 56.100 -0.405 0.000 1.106 306 R CB 1.094 31.076 30.300 -0.530 0.000 1.280 306 R HN 0.108 nan 8.270 nan 0.000 0.549 307 S N 0.789 116.398 115.700 -0.151 0.000 2.616 307 S HA 0.536 5.006 4.470 0.000 0.000 0.277 307 S C 0.158 174.711 174.600 -0.077 0.000 1.234 307 S CA -0.705 57.434 58.200 -0.103 0.000 1.028 307 S CB 1.717 64.870 63.200 -0.078 0.000 0.988 307 S HN 0.334 nan 8.310 nan 0.000 0.522 308 A N 2.561 125.348 122.820 -0.055 0.000 2.346 308 A HA 0.458 4.778 4.320 0.000 0.000 0.252 308 A C -1.303 176.234 177.584 -0.078 0.000 1.089 308 A CA -1.131 50.884 52.037 -0.037 0.000 0.797 308 A CB -0.583 18.423 19.000 0.010 0.000 1.047 308 A HN 0.609 nan 8.150 nan 0.000 0.494 309 P HA 0.002 nan 4.420 nan 0.000 0.220 309 P C -0.344 176.570 177.300 -0.643 0.000 1.148 309 P CA 1.185 64.053 63.100 -0.387 0.000 0.803 309 P CB -0.002 31.413 31.700 -0.475 0.000 0.782 310 F N -0.753 119.209 119.950 0.020 0.000 2.507 310 F HA 0.431 4.958 4.527 0.000 0.000 0.325 310 F C 0.187 175.998 175.800 0.018 0.000 1.116 310 F CA -1.040 56.974 58.000 0.023 0.000 0.930 310 F CB 1.356 40.366 39.000 0.018 0.000 1.146 310 F HN -0.385 nan 8.300 nan 0.000 0.447 311 L N 2.938 124.270 121.223 0.183 0.000 2.342 311 L HA 0.526 4.866 4.340 0.000 0.000 0.271 311 L C -0.808 176.127 176.870 0.109 0.000 1.008 311 L CA -0.743 54.166 54.840 0.115 0.000 0.818 311 L CB 1.525 43.635 42.059 0.085 0.000 1.296 311 L HN 0.427 nan 8.230 nan 0.000 0.427 312 D N 1.911 122.357 120.400 0.077 0.000 2.233 312 D HA 0.491 5.131 4.640 0.000 0.000 0.240 312 D C -0.737 175.592 176.300 0.047 0.000 1.074 312 D CA -0.045 53.989 54.000 0.057 0.000 0.838 312 D CB 2.463 43.288 40.800 0.042 0.000 1.124 312 D HN 0.049 nan 8.370 nan 0.000 0.475 313 V N 1.855 121.790 119.914 0.035 0.000 2.914 313 V HA 0.289 4.409 4.120 0.000 0.000 0.314 313 V C -0.062 176.037 176.094 0.009 0.000 1.084 313 V CA -0.828 61.484 62.300 0.020 0.000 0.963 313 V CB 2.677 34.492 31.823 -0.013 0.000 1.025 313 V HN 0.441 nan 8.190 nan 0.000 0.432 314 E N 3.345 123.548 120.200 0.005 0.000 2.191 314 E HA 0.698 5.048 4.350 0.000 0.000 0.274 314 E C -1.036 175.542 176.600 -0.036 0.000 0.948 314 E CA -0.610 55.790 56.400 0.001 0.000 0.802 314 E CB 1.710 31.423 29.700 0.021 0.000 1.137 314 E HN 0.672 nan 8.360 nan 0.000 0.397 315 M N 4.371 123.948 119.600 -0.038 0.000 2.433 315 M HA 0.337 4.817 4.480 0.000 0.000 0.290 315 M C -1.684 174.578 176.300 -0.064 0.000 1.173 315 M CA -0.828 54.428 55.300 -0.073 0.000 0.905 315 M CB 1.973 34.546 32.600 -0.046 0.000 1.692 315 M HN 0.413 nan 8.290 nan 0.000 0.462 316 V N 3.750 123.585 119.914 -0.132 0.000 2.881 316 V HA 0.203 4.323 4.120 0.000 0.000 0.303 316 V C 0.356 176.462 176.094 0.021 0.000 1.070 316 V CA -0.033 62.210 62.300 -0.095 0.000 1.074 316 V CB 1.586 33.165 31.823 -0.407 0.000 1.012 316 V HN 1.015 nan 8.190 nan 0.000 0.482 317 N N 1.917 120.697 118.700 0.133 0.000 2.326 317 N HA 0.061 4.802 4.740 0.000 0.000 0.239 317 N C 0.476 176.057 175.510 0.119 0.000 1.301 317 N CA -0.151 52.963 53.050 0.107 0.000 0.909 317 N CB 0.405 38.951 38.487 0.098 0.000 1.156 317 N HN 0.665 nan 8.380 nan 0.000 0.462 318 D N 0.194 120.638 120.400 0.073 0.000 2.305 318 D HA -0.095 4.546 4.640 0.000 0.000 0.206 318 D C 1.140 177.467 176.300 0.046 0.000 0.974 318 D CA 0.530 54.563 54.000 0.055 0.000 0.871 318 D CB 0.023 40.862 40.800 0.064 0.000 0.947 318 D HN 0.612 nan 8.370 nan 0.000 0.516 319 E N 1.133 121.353 120.200 0.034 0.000 2.065 319 E HA -0.172 4.178 4.350 0.000 0.000 0.201 319 E C -0.961 175.616 176.600 -0.038 0.000 1.016 319 E CA 1.409 57.808 56.400 -0.002 0.000 0.818 319 E CB -0.325 29.363 29.700 -0.019 0.000 0.749 319 E HN 0.186 nan 8.360 nan 0.000 0.453 320 P HA 0.083 nan 4.420 nan 0.000 0.256 320 P C 0.355 177.634 177.300 -0.034 0.000 1.384 320 P CA 0.293 63.286 63.100 -0.180 0.000 0.879 320 P CB 0.143 31.488 31.700 -0.591 0.000 1.403 321 L N -0.577 120.634 121.223 -0.020 0.000 2.552 321 L HA -0.054 4.286 4.340 0.000 0.000 0.227 321 L C 1.411 178.054 176.870 -0.379 0.000 1.146 321 L CA 0.664 55.379 54.840 -0.208 0.000 0.858 321 L CB -0.500 41.238 42.059 -0.534 0.000 0.969 321 L HN -0.058 nan 8.230 nan 0.000 0.451 322 D N -0.281 120.028 120.400 -0.152 0.000 2.182 322 D HA -0.186 4.454 4.640 0.000 0.000 0.201 322 D C 2.265 178.570 176.300 0.009 0.000 0.986 322 D CA 1.939 55.932 54.000 -0.011 0.000 0.847 322 D CB -0.155 40.673 40.800 0.046 0.000 0.942 322 D HN 0.367 nan 8.370 nan 0.000 0.467 323 T N -1.951 112.598 114.554 -0.009 0.000 2.951 323 T HA -0.050 4.300 4.350 0.000 0.000 0.268 323 T C 2.084 176.802 174.700 0.030 0.000 1.073 323 T CA 0.625 62.740 62.100 0.025 0.000 1.134 323 T CB -0.460 68.426 68.868 0.030 0.000 0.884 323 T HN -0.013 nan 8.240 nan 0.000 0.479 324 V N 0.133 120.034 119.914 -0.022 0.000 2.407 324 V HA -0.041 4.079 4.120 0.000 0.000 0.245 324 V C 2.434 178.551 176.094 0.039 0.000 1.041 324 V CA 1.119 63.395 62.300 -0.040 0.000 1.040 324 V CB -0.861 30.863 31.823 -0.165 0.000 0.671 324 V HN 0.378 nan 8.190 nan 0.000 0.455 325 Y N -0.392 119.910 120.300 0.003 0.000 2.200 325 Y HA -0.151 4.399 4.550 0.000 0.000 0.290 325 Y C 2.206 178.097 175.900 -0.015 0.000 1.137 325 Y CA 0.861 58.951 58.100 -0.016 0.000 1.163 325 Y CB -0.934 37.520 38.460 -0.011 0.000 0.988 325 Y HN 0.184 nan 8.280 nan 0.000 0.518 326 L N 0.231 121.553 121.223 0.164 0.000 2.046 326 L HA -0.149 4.192 4.340 0.000 0.000 0.208 326 L C 2.385 179.293 176.870 0.063 0.000 1.077 326 L CA 2.046 56.939 54.840 0.089 0.000 0.747 326 L CB -1.101 40.999 42.059 0.069 0.000 0.896 326 L HN 0.120 nan 8.230 nan 0.000 0.432 327 A N -0.649 122.205 122.820 0.058 0.000 1.933 327 A HA -0.123 4.197 4.320 0.000 0.000 0.218 327 A C 2.443 180.040 177.584 0.023 0.000 1.175 327 A CA 1.832 53.892 52.037 0.038 0.000 0.628 327 A CB -1.122 17.898 19.000 0.034 0.000 0.814 327 A HN 0.580 nan 8.150 nan 0.000 0.444 328 A N -0.597 122.241 122.820 0.031 0.000 1.877 328 A HA 0.010 4.330 4.320 0.000 0.000 0.216 328 A C 2.242 179.811 177.584 -0.026 0.000 1.186 328 A CA 1.762 53.799 52.037 0.001 0.000 0.620 328 A CB -0.949 18.065 19.000 0.024 0.000 0.822 328 A HN 0.376 nan 8.150 nan 0.000 0.443 329 V N 0.707 120.613 119.914 -0.012 0.000 2.295 329 V HA -0.256 3.864 4.120 0.000 0.000 0.246 329 V C 2.218 178.305 176.094 -0.011 0.000 1.049 329 V CA 2.394 64.673 62.300 -0.035 0.000 1.024 329 V CB -0.854 30.957 31.823 -0.020 0.000 0.648 329 V HN 0.500 nan 8.190 nan 0.000 0.447 330 D N 0.382 120.793 120.400 0.020 0.000 2.117 330 D HA -0.135 4.505 4.640 0.000 0.000 0.197 330 D C 2.436 178.746 176.300 0.016 0.000 0.987 330 D CA 1.805 55.836 54.000 0.052 0.000 0.829 330 D CB -0.374 40.468 40.800 0.071 0.000 0.961 330 D HN 0.598 nan 8.370 nan 0.000 0.460 331 S N -0.065 115.623 115.700 -0.020 0.000 2.399 331 S HA -0.106 4.364 4.470 0.000 0.000 0.231 331 S C 2.192 176.751 174.600 -0.068 0.000 1.022 331 S CA 0.796 58.962 58.200 -0.057 0.000 0.983 331 S CB -0.578 62.593 63.200 -0.049 0.000 0.803 331 S HN 0.092 nan 8.310 nan 0.000 0.480 332 V N 2.259 122.135 119.914 -0.063 0.000 2.358 332 V HA -0.136 3.984 4.120 0.000 0.000 0.246 332 V C 2.831 178.907 176.094 -0.030 0.000 1.047 332 V CA 2.125 64.380 62.300 -0.073 0.000 1.035 332 V CB -0.832 30.910 31.823 -0.135 0.000 0.658 332 V HN 0.649 nan 8.190 nan 0.000 0.452 333 E N 0.285 120.489 120.200 0.007 0.000 2.051 333 E HA -0.306 4.044 4.350 0.000 0.000 0.192 333 E C 2.248 178.887 176.600 0.065 0.000 0.991 333 E CA 1.746 58.197 56.400 0.085 0.000 0.799 333 E CB -0.116 29.679 29.700 0.158 0.000 0.748 333 E HN 0.721 nan 8.360 nan 0.000 0.449 334 E N -0.233 119.906 120.200 -0.101 0.000 2.150 334 E HA -0.184 4.167 4.350 0.000 0.000 0.193 334 E C 1.873 178.300 176.600 -0.289 0.000 0.985 334 E CA 0.926 57.003 56.400 -0.538 0.000 0.814 334 E CB -0.119 29.056 29.700 -0.874 0.000 0.752 334 E HN 0.352 nan 8.360 nan 0.000 0.466 335 A N 0.388 123.123 122.820 -0.140 0.000 1.902 335 A HA -0.126 4.194 4.320 0.000 0.000 0.217 335 A C 2.382 179.963 177.584 -0.004 0.000 1.181 335 A CA 1.364 53.360 52.037 -0.067 0.000 0.623 335 A CB -0.629 18.351 19.000 -0.035 0.000 0.818 335 A HN 0.221 nan 8.150 nan 0.000 0.443 336 V N -0.310 119.629 119.914 0.043 0.000 2.295 336 V HA -0.228 3.892 4.120 0.000 0.000 0.246 336 V C 2.583 178.746 176.094 0.113 0.000 1.049 336 V CA 2.037 64.416 62.300 0.131 0.000 1.024 336 V CB -0.724 31.229 31.823 0.217 0.000 0.648 336 V HN 0.378 nan 8.190 nan 0.000 0.447 337 V N 0.370 120.336 119.914 0.087 0.000 2.358 337 V HA -0.278 3.842 4.120 0.000 0.000 0.246 337 V C 2.074 178.183 176.094 0.025 0.000 1.047 337 V CA 2.359 64.711 62.300 0.086 0.000 1.035 337 V CB -1.076 30.874 31.823 0.211 0.000 0.658 337 V HN 0.620 nan 8.190 nan 0.000 0.452 338 N N 0.278 118.956 118.700 -0.037 0.000 2.149 338 N HA -0.186 4.555 4.740 0.000 0.000 0.188 338 N C 1.942 177.450 175.510 -0.004 0.000 1.019 338 N CA 1.205 54.228 53.050 -0.045 0.000 0.857 338 N CB -0.272 38.169 38.487 -0.076 0.000 0.997 338 N HN 0.505 nan 8.380 nan 0.000 0.426 339 A N 1.155 123.990 122.820 0.025 0.000 1.902 339 A HA -0.151 4.169 4.320 0.000 0.000 0.217 339 A C 2.148 179.764 177.584 0.053 0.000 1.181 339 A CA 1.276 53.339 52.037 0.043 0.000 0.623 339 A CB -0.428 18.617 19.000 0.075 0.000 0.818 339 A HN 0.212 nan 8.150 nan 0.000 0.443 340 M N -0.725 118.913 119.600 0.064 0.000 2.132 340 M HA -0.085 4.395 4.480 0.000 0.000 0.263 340 M C 1.848 178.168 176.300 0.034 0.000 1.065 340 M CA 1.094 56.429 55.300 0.057 0.000 1.122 340 M CB -0.400 32.227 32.600 0.044 0.000 1.365 340 M HN 0.278 nan 8.290 nan 0.000 0.411 341 I N 0.520 121.097 120.570 0.012 0.000 2.394 341 I HA -0.164 4.006 4.170 0.000 0.000 0.251 341 I C 2.562 178.735 176.117 0.092 0.000 1.136 341 I CA 1.353 62.657 61.300 0.007 0.000 1.425 341 I CB -1.533 36.394 38.000 -0.121 0.000 1.079 341 I HN 0.195 nan 8.210 nan 0.000 0.425 342 A N 0.483 123.330 122.820 0.044 0.000 2.072 342 A HA 0.344 4.664 4.320 0.000 0.000 0.216 342 A C 1.606 179.210 177.584 0.034 0.000 1.156 342 A CA 0.555 52.615 52.037 0.038 0.000 0.701 342 A CB -0.471 18.532 19.000 0.004 0.000 0.816 342 A HN 0.310 nan 8.150 nan 0.000 0.458 343 A N 0.062 122.905 122.820 0.038 0.000 2.386 343 A HA 0.490 4.810 4.320 0.000 0.000 0.246 343 A C 0.015 177.613 177.584 0.023 0.000 1.089 343 A CA 0.008 52.061 52.037 0.026 0.000 0.790 343 A CB 0.119 19.146 19.000 0.045 0.000 1.042 343 A HN 0.522 nan 8.150 nan 0.000 0.497 344 E N -0.024 120.182 120.200 0.010 0.000 2.343 344 E HA 0.336 4.686 4.350 0.000 0.000 0.270 344 E C -1.447 175.159 176.600 0.010 0.000 0.895 344 E CA -1.008 55.392 56.400 0.001 0.000 0.767 344 E CB 1.333 31.027 29.700 -0.010 0.000 1.248 344 E HN 0.651 nan 8.360 nan 0.000 0.440 345 D N 1.536 121.941 120.400 0.008 0.000 2.515 345 D HA 0.043 4.683 4.640 0.000 0.000 0.232 345 D C -0.443 175.864 176.300 0.013 0.000 1.157 345 D CA 1.084 55.096 54.000 0.019 0.000 0.871 345 D CB 0.377 41.184 40.800 0.012 0.000 1.200 345 D HN 0.256 nan 8.370 nan 0.000 0.466 346 M N 0.606 120.216 119.600 0.016 0.000 2.413 346 M HA 0.486 4.967 4.480 0.000 0.000 0.287 346 M C -0.080 176.226 176.300 0.010 0.000 1.186 346 M CA 0.041 55.346 55.300 0.009 0.000 0.927 346 M CB 1.906 34.509 32.600 0.004 0.000 1.715 346 M HN 0.610 nan 8.290 nan 0.000 0.478 347 G N 1.774 110.582 108.800 0.012 0.000 2.451 347 G HA2 0.229 4.189 3.960 0.000 0.000 0.208 347 G HA3 0.229 4.189 3.960 0.000 0.000 0.208 347 G C 0.426 175.335 174.900 0.015 0.000 1.248 347 G CA 0.220 45.329 45.100 0.016 0.000 0.989 347 G HN 2.128 nan 8.290 nan 0.000 0.559 348 G N -1.980 106.825 108.800 0.007 0.000 2.162 348 G HA2 0.154 4.114 3.960 0.000 0.000 0.260 348 G HA3 0.154 4.114 3.960 0.000 0.000 0.260 348 G C 1.239 176.131 174.900 -0.013 0.000 0.976 348 G CA 2.031 47.129 45.100 -0.004 0.000 0.655 348 G HN 2.775 nan 8.290 nan 0.000 0.533 349 T N -2.470 112.086 114.554 0.002 0.000 2.824 349 T HA 0.630 4.980 4.350 0.000 0.000 0.277 349 T C -0.703 173.925 174.700 -0.120 0.000 0.975 349 T CA -0.730 61.358 62.100 -0.020 0.000 0.966 349 T CB 1.848 70.770 68.868 0.090 0.000 1.054 349 T HN -0.093 nan 8.240 nan 0.000 0.533 350 P HA 0.046 nan 4.420 nan 0.000 0.220 350 P C 0.681 177.665 177.300 -0.528 0.000 1.148 350 P CA 0.917 63.716 63.100 -0.502 0.000 0.803 350 P CB -0.165 31.067 31.700 -0.780 0.000 0.782 351 F N -1.457 118.487 119.950 -0.009 0.000 2.797 351 F HA 0.115 4.642 4.527 0.000 0.000 0.302 351 F C 1.005 176.797 175.800 -0.014 0.000 1.130 351 F CA 0.005 57.999 58.000 -0.010 0.000 1.387 351 F CB -0.602 38.391 39.000 -0.011 0.000 1.107 351 F HN -0.144 nan 8.300 nan 0.000 0.577 352 D N 0.006 120.459 120.400 0.087 0.000 2.277 352 D HA 0.269 4.909 4.640 0.000 0.000 0.250 352 D C 1.082 177.393 176.300 0.018 0.000 1.032 352 D CA -0.391 53.641 54.000 0.053 0.000 0.947 352 D CB 1.388 42.209 40.800 0.035 0.000 1.159 352 D HN 0.057 nan 8.370 nan 0.000 0.460 353 R N -0.153 120.354 120.500 0.012 0.000 2.265 353 R HA 0.129 4.470 4.340 0.000 0.000 0.194 353 R C -0.304 175.991 176.300 -0.008 0.000 0.931 353 R CA 0.257 56.358 56.100 0.000 0.000 1.032 353 R CB 0.274 30.576 30.300 0.002 0.000 0.980 353 R HN 0.260 nan 8.270 nan 0.000 0.497 354 L N -1.360 119.859 121.223 -0.007 0.000 2.409 354 L HA 0.522 4.862 4.340 0.000 0.000 0.255 354 L C -1.031 175.835 176.870 -0.007 0.000 1.027 354 L CA -1.390 53.443 54.840 -0.012 0.000 0.834 354 L CB 0.642 42.691 42.059 -0.017 0.000 1.426 354 L HN -0.296 nan 8.230 nan 0.000 0.411 355 L N 1.064 122.282 121.223 -0.008 0.000 2.343 355 L HA 0.803 5.143 4.340 0.000 0.000 0.278 355 L C -1.264 175.608 176.870 0.004 0.000 0.996 355 L CA -0.386 54.454 54.840 -0.000 0.000 0.831 355 L CB 1.694 43.753 42.059 -0.000 0.000 1.232 355 L HN 0.401 nan 8.230 nan 0.000 0.413 356 V N 5.524 125.446 119.914 0.012 0.000 2.350 356 V HA 0.443 4.563 4.120 0.000 0.000 0.276 356 V C 0.098 176.228 176.094 0.059 0.000 1.028 356 V CA -0.463 61.853 62.300 0.027 0.000 0.860 356 V CB 1.217 33.053 31.823 0.022 0.000 0.990 356 V HN 0.796 nan 8.190 nan 0.000 0.453 357 Q N 2.707 122.565 119.800 0.097 0.000 2.230 357 Q HA 0.696 5.036 4.340 0.000 0.000 0.248 357 Q C 0.145 176.274 176.000 0.214 0.000 0.915 357 Q CA -0.449 55.435 55.803 0.134 0.000 0.900 357 Q CB 1.794 30.626 28.738 0.156 0.000 1.229 357 Q HN 0.883 nan 8.270 nan 0.000 0.439 358 A N 2.250 125.140 122.820 0.117 0.000 2.351 358 A HA 0.298 4.618 4.320 0.000 0.000 0.257 358 A C -0.135 177.426 177.584 -0.037 0.000 1.087 358 A CA -0.520 51.560 52.037 0.071 0.000 0.798 358 A CB 0.225 19.233 19.000 0.014 0.000 1.033 358 A HN 0.850 nan 8.150 nan 0.000 0.488 359 I N 0.560 120.938 120.570 -0.320 0.000 2.752 359 I HA -0.008 4.162 4.170 0.000 0.000 0.287 359 I C 0.110 176.089 176.117 -0.230 0.000 1.188 359 I CA 0.118 60.996 61.300 -0.704 0.000 1.427 359 I CB 0.438 37.851 38.000 -0.979 0.000 1.365 359 I HN 0.764 nan 8.210 nan 0.000 0.585 360 D N 5.403 125.696 120.400 -0.178 0.000 2.317 360 D HA 0.103 4.743 4.640 0.000 0.000 0.252 360 D C 1.004 177.318 176.300 0.023 0.000 1.174 360 D CA 0.182 54.135 54.000 -0.079 0.000 0.866 360 D CB 0.653 41.432 40.800 -0.035 0.000 1.127 360 D HN 0.550 nan 8.370 nan 0.000 0.467 361 H N 2.158 121.184 119.070 -0.074 0.000 2.353 361 H HA -0.095 4.461 4.556 0.000 0.000 0.300 361 H C 1.287 176.589 175.328 -0.043 0.000 1.090 361 H CA 0.447 56.460 56.048 -0.059 0.000 1.327 361 H CB 0.505 30.244 29.762 -0.039 0.000 1.383 361 H HN 0.477 nan 8.280 nan 0.000 0.508 362 E N 0.920 121.175 120.200 0.093 0.000 2.072 362 E HA -0.094 4.256 4.350 0.000 0.000 0.191 362 E C 2.290 178.906 176.600 0.027 0.000 0.985 362 E CA 0.487 56.914 56.400 0.046 0.000 0.801 362 E CB -0.071 29.645 29.700 0.026 0.000 0.750 362 E HN 0.391 nan 8.360 nan 0.000 0.452 363 R N 0.447 120.960 120.500 0.022 0.000 2.091 363 R HA -0.086 4.254 4.340 0.000 0.000 0.238 363 R C 2.518 178.825 176.300 0.012 0.000 1.136 363 R CA 0.670 56.782 56.100 0.021 0.000 0.959 363 R CB -0.556 29.762 30.300 0.031 0.000 0.856 363 R HN 0.221 nan 8.270 nan 0.000 0.437 364 L N 0.733 121.956 121.223 0.001 0.000 1.994 364 L HA -0.228 4.112 4.340 0.000 0.000 0.208 364 L C 2.467 179.325 176.870 -0.019 0.000 1.071 364 L CA 1.645 56.472 54.840 -0.021 0.000 0.745 364 L CB -0.243 41.791 42.059 -0.043 0.000 0.892 364 L HN 0.198 nan 8.230 nan 0.000 0.431 365 R N -0.455 120.040 120.500 -0.008 0.000 2.091 365 R HA -0.177 4.163 4.340 0.000 0.000 0.238 365 R C 2.280 178.575 176.300 -0.008 0.000 1.136 365 R CA 1.401 57.494 56.100 -0.011 0.000 0.959 365 R CB -0.469 29.830 30.300 -0.001 0.000 0.856 365 R HN 0.476 nan 8.270 nan 0.000 0.437 366 A N 0.613 123.431 122.820 -0.003 0.000 1.902 366 A HA -0.112 4.208 4.320 0.000 0.000 0.217 366 A C 2.353 179.931 177.584 -0.011 0.000 1.181 366 A CA 1.394 53.427 52.037 -0.006 0.000 0.623 366 A CB -0.475 18.524 19.000 -0.001 0.000 0.818 366 A HN 0.119 nan 8.150 nan 0.000 0.443 367 V N 0.320 120.225 119.914 -0.015 0.000 2.295 367 V HA -0.255 3.865 4.120 0.000 0.000 0.246 367 V C 2.561 178.682 176.094 0.044 0.000 1.049 367 V CA 1.905 64.189 62.300 -0.027 0.000 1.024 367 V CB -0.838 30.947 31.823 -0.064 0.000 0.648 367 V HN 0.569 nan 8.190 nan 0.000 0.447 368 L N -0.253 120.973 121.223 0.006 0.000 2.042 368 L HA -0.212 4.128 4.340 0.000 0.000 0.210 368 L C 2.740 179.638 176.870 0.048 0.000 1.076 368 L CA 1.978 56.825 54.840 0.013 0.000 0.749 368 L CB -0.713 41.324 42.059 -0.038 0.000 0.893 368 L HN 0.293 nan 8.230 nan 0.000 0.432 369 R N 0.398 120.909 120.500 0.018 0.000 2.105 369 R HA -0.200 4.140 4.340 0.000 0.000 0.239 369 R C 2.257 178.558 176.300 0.001 0.000 1.135 369 R CA 1.537 57.640 56.100 0.005 0.000 0.967 369 R CB -0.115 30.180 30.300 -0.008 0.000 0.861 369 R HN 0.472 nan 8.270 nan 0.000 0.442 370 Q N -1.031 118.763 119.800 -0.010 0.000 2.226 370 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 370 Q C 0.666 176.556 176.000 -0.183 0.000 0.975 370 Q CA 1.299 57.035 55.803 -0.111 0.000 0.866 370 Q CB 0.107 28.731 28.738 -0.189 0.000 0.915 370 Q HN 0.506 nan 8.270 nan 0.000 0.440 371 Y N -0.774 119.485 120.300 -0.069 0.000 2.524 371 Y HA 0.264 4.814 4.550 0.000 0.000 0.266 371 Y C 1.132 177.006 175.900 -0.043 0.000 1.180 371 Y CA 0.151 58.221 58.100 -0.049 0.000 1.244 371 Y CB 0.893 39.322 38.460 -0.052 0.000 1.125 371 Y HN 0.133 nan 8.280 nan 0.000 0.524 372 G N 1.085 109.927 108.800 0.070 0.000 2.246 372 G HA2 -0.355 3.605 3.960 0.000 0.000 0.273 372 G HA3 -0.355 3.605 3.960 0.000 0.000 0.273 372 G C 0.811 175.723 174.900 0.020 0.000 1.055 372 G CA 0.289 45.407 45.100 0.029 0.000 0.851 372 G HN 0.375 nan 8.290 nan 0.000 0.500 373 R N -1.462 119.048 120.500 0.017 0.000 2.572 373 R HA 0.421 4.761 4.340 0.000 0.000 0.370 373 R C 0.337 176.610 176.300 -0.045 0.000 1.005 373 R CA -0.372 55.713 56.100 -0.025 0.000 1.146 373 R CB 0.332 30.607 30.300 -0.042 0.000 1.390 373 R HN 0.337 nan 8.270 nan 0.000 0.553 374 L N 1.013 122.220 121.223 -0.026 0.000 2.255 374 L HA 0.644 4.984 4.340 0.000 0.000 0.289 374 L C -0.217 176.636 176.870 -0.029 0.000 1.046 374 L CA -0.412 54.409 54.840 -0.032 0.000 0.816 374 L CB 0.842 42.889 42.059 -0.020 0.000 1.197 374 L HN 0.158 nan 8.230 nan 0.000 0.427 375 A N 0.000 122.799 122.820 -0.035 0.000 2.254 375 A HA 0.000 4.320 4.320 0.000 0.000 0.244 375 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 375 A CB 0.000 18.981 19.000 -0.031 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486