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 1cxh_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLYDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 2 P HA 0.270 nan 4.420 nan 0.000 0.278 2 P C -0.078 177.191 177.300 -0.051 0.000 1.258 2 P CA 0.095 63.173 63.100 -0.037 0.000 0.811 2 P CB 0.615 32.291 31.700 -0.041 0.000 1.063 3 D N -0.147 120.229 120.400 -0.040 0.000 2.228 3 D HA -0.173 4.467 4.640 -0.000 0.000 0.203 3 D C 1.130 177.376 176.300 -0.090 0.000 0.988 3 D CA 2.067 56.041 54.000 -0.043 0.000 0.864 3 D CB -1.390 39.418 40.800 0.012 0.000 0.928 3 D HN 0.464 nan 8.370 nan 0.000 0.469 4 T N -2.519 111.976 114.554 -0.099 0.000 3.100 4 T HA 0.038 4.388 4.350 -0.000 0.000 0.253 4 T C 1.078 175.684 174.700 -0.156 0.000 1.118 4 T CA 0.118 62.133 62.100 -0.142 0.000 1.058 4 T CB -0.260 68.531 68.868 -0.128 0.000 0.953 4 T HN 0.216 nan 8.240 nan 0.000 0.515 5 S N 0.525 116.144 115.700 -0.136 0.000 2.572 5 S HA 0.174 4.644 4.470 -0.000 0.000 0.279 5 S C 1.494 175.983 174.600 -0.185 0.000 1.341 5 S CA -0.366 57.751 58.200 -0.139 0.000 1.043 5 S CB 1.248 64.381 63.200 -0.110 0.000 0.887 5 S HN 0.179 nan 8.310 nan 0.000 0.516 6 V N 4.019 123.821 119.914 -0.187 0.000 2.688 6 V HA -0.108 4.012 4.120 -0.000 0.000 0.256 6 V C 2.442 178.375 176.094 -0.268 0.000 1.084 6 V CA 2.604 64.766 62.300 -0.230 0.000 1.103 6 V CB -1.120 30.580 31.823 -0.205 0.000 0.688 6 V HN 1.083 nan 8.190 nan 0.000 0.480 7 S N 0.037 115.605 115.700 -0.220 0.000 2.481 7 S HA -0.061 4.409 4.470 -0.000 0.000 0.231 7 S C 1.189 175.700 174.600 -0.149 0.000 0.996 7 S CA 0.663 58.745 58.200 -0.196 0.000 0.942 7 S CB -0.702 62.414 63.200 -0.141 0.000 0.768 7 S HN 0.634 nan 8.310 nan 0.000 0.520 8 N N 2.402 121.003 118.700 -0.165 0.000 2.466 8 N HA 0.164 4.904 4.740 -0.000 0.000 0.263 8 N C 0.212 175.648 175.510 -0.124 0.000 1.178 8 N CA 0.036 53.005 53.050 -0.135 0.000 0.983 8 N CB 0.322 38.715 38.487 -0.157 0.000 1.331 8 N HN 0.456 nan 8.380 nan 0.000 0.500 9 K N 1.616 122.017 120.400 0.002 0.000 2.487 9 K HA 0.018 4.338 4.320 -0.000 0.000 0.192 9 K C 0.600 177.381 176.600 0.302 0.000 1.027 9 K CA 0.416 56.808 56.287 0.174 0.000 1.054 9 K CB 0.518 33.119 32.500 0.169 0.000 0.824 9 K HN 0.348 nan 8.250 nan 0.000 0.510 10 Q N 0.104 120.017 119.800 0.188 0.000 2.352 10 Q HA 0.116 4.456 4.340 -0.000 0.000 0.212 10 Q C -0.336 175.809 176.000 0.242 0.000 0.888 10 Q CA 0.352 56.310 55.803 0.259 0.000 0.934 10 Q CB 0.522 29.372 28.738 0.186 0.000 1.093 10 Q HN 0.067 nan 8.270 nan 0.000 0.523 11 N N -0.648 118.049 118.700 -0.006 0.000 2.352 11 N HA 0.207 4.947 4.740 -0.000 0.000 0.291 11 N C -1.320 173.940 175.510 -0.416 0.000 1.040 11 N CA -0.253 52.572 53.050 -0.375 0.000 0.864 11 N CB 0.605 38.838 38.487 -0.424 0.000 1.440 11 N HN -0.126 nan 8.380 nan 0.000 0.483 12 F N 0.954 120.386 119.950 -0.863 0.000 2.729 12 F HA 0.292 4.819 4.527 -0.000 0.000 0.315 12 F C 1.839 177.337 175.800 -0.503 0.000 1.102 12 F CA -0.123 57.464 58.000 -0.688 0.000 1.204 12 F CB 0.432 38.891 39.000 -0.902 0.000 1.052 12 F HN 0.417 nan 8.300 nan 0.000 0.551 13 S N -0.597 114.886 115.700 -0.361 0.000 2.442 13 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 13 S C 2.099 176.478 174.600 -0.369 0.000 1.007 13 S CA 1.809 59.823 58.200 -0.311 0.000 0.965 13 S CB -0.446 62.599 63.200 -0.257 0.000 0.773 13 S HN 0.513 nan 8.310 nan 0.000 0.504 14 T N -0.564 113.760 114.554 -0.383 0.000 3.122 14 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 14 T C -0.046 174.489 174.700 -0.275 0.000 1.067 14 T CA -0.415 61.471 62.100 -0.357 0.000 0.966 14 T CB 0.044 68.705 68.868 -0.345 0.000 1.002 14 T HN 0.041 nan 8.240 nan 0.000 0.542 15 D N 0.688 120.936 120.400 -0.253 0.000 2.384 15 D HA 0.548 5.188 4.640 -0.000 0.000 0.250 15 D C -0.895 175.343 176.300 -0.103 0.000 1.029 15 D CA -0.515 53.372 54.000 -0.188 0.000 0.990 15 D CB 2.557 43.219 40.800 -0.229 0.000 1.175 15 D HN 0.036 nan 8.370 nan 0.000 0.532 16 V N 1.682 121.564 119.914 -0.053 0.000 2.483 16 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 16 V C 0.107 176.250 176.094 0.081 0.000 1.027 16 V CA -0.668 61.628 62.300 -0.007 0.000 0.855 16 V CB 1.550 33.349 31.823 -0.039 0.000 0.995 16 V HN 0.357 nan 8.190 nan 0.000 0.424 17 I N 4.566 125.224 120.570 0.146 0.000 2.440 17 I HA 0.358 4.528 4.170 -0.000 0.000 0.294 17 I C -0.887 175.401 176.117 0.285 0.000 0.995 17 I CA -0.561 60.890 61.300 0.253 0.000 1.306 17 I CB 1.065 39.253 38.000 0.314 0.000 1.407 17 I HN 0.598 nan 8.210 nan 0.000 0.501 18 Y N 5.928 126.315 120.300 0.145 0.000 2.328 18 Y HA 0.250 4.800 4.550 -0.000 0.000 0.333 18 Y C -0.062 175.894 175.900 0.094 0.000 0.958 18 Y CA -0.554 57.604 58.100 0.098 0.000 1.167 18 Y CB 1.042 39.526 38.460 0.039 0.000 1.151 18 Y HN 0.496 nan 8.280 nan 0.000 0.470 19 Q N 7.082 126.761 119.800 -0.201 0.000 2.307 19 Q HA 0.434 4.774 4.340 -0.000 0.000 0.259 19 Q C -1.331 174.463 176.000 -0.343 0.000 0.998 19 Q CA -0.203 55.395 55.803 -0.342 0.000 0.923 19 Q CB 0.516 28.934 28.738 -0.534 0.000 1.196 19 Q HN 0.783 nan 8.270 nan 0.000 0.416 20 I N 3.802 124.172 120.570 -0.334 0.000 2.433 20 I HA 0.253 4.423 4.170 -0.000 0.000 0.292 20 I C -0.762 175.183 176.117 -0.288 0.000 1.001 20 I CA -0.834 60.255 61.300 -0.351 0.000 1.119 20 I CB 1.193 38.938 38.000 -0.424 0.000 1.289 20 I HN 0.575 nan 8.210 nan 0.000 0.438 21 F N 5.043 124.665 119.950 -0.547 0.000 2.377 21 F HA 0.183 4.710 4.527 -0.000 0.000 0.360 21 F C 1.663 177.268 175.800 -0.323 0.000 1.147 21 F CA -0.064 57.725 58.000 -0.352 0.000 1.170 21 F CB 0.787 39.640 39.000 -0.245 0.000 1.339 21 F HN 0.547 nan 8.300 nan 0.000 0.552 22 T N 1.544 115.923 114.554 -0.292 0.000 2.620 22 T HA -0.345 4.005 4.350 -0.000 0.000 0.267 22 T C 1.695 176.356 174.700 -0.064 0.000 1.044 22 T CA 2.215 64.166 62.100 -0.249 0.000 1.161 22 T CB -0.263 68.204 68.868 -0.668 0.000 0.862 22 T HN 0.600 nan 8.240 nan 0.000 0.438 23 D N 0.440 120.847 120.400 0.011 0.000 2.178 23 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 23 D C 1.962 178.359 176.300 0.161 0.000 0.980 23 D CA 0.782 54.898 54.000 0.192 0.000 0.842 23 D CB 0.112 41.096 40.800 0.307 0.000 0.948 23 D HN 0.144 nan 8.370 nan 0.000 0.472 24 R N -0.654 119.923 120.500 0.129 0.000 2.359 24 R HA 0.101 4.441 4.340 -0.000 0.000 0.231 24 R C 0.939 177.264 176.300 0.042 0.000 0.913 24 R CA -0.158 55.983 56.100 0.069 0.000 1.075 24 R CB -0.359 29.992 30.300 0.084 0.000 1.087 24 R HN 0.287 nan 8.270 nan 0.000 0.515 25 F N 0.604 120.496 119.950 -0.096 0.000 2.204 25 F HA 0.237 4.764 4.527 -0.000 0.000 0.276 25 F C 0.401 176.297 175.800 0.160 0.000 1.085 25 F CA 0.378 58.379 58.000 0.002 0.000 1.160 25 F CB 0.310 39.307 39.000 -0.005 0.000 1.091 25 F HN -0.183 nan 8.300 nan 0.000 0.522 26 S N -0.126 115.658 115.700 0.139 0.000 2.626 26 S HA 0.207 4.677 4.470 -0.000 0.000 0.275 26 S C -1.871 172.798 174.600 0.116 0.000 1.175 26 S CA -0.821 57.416 58.200 0.063 0.000 0.982 26 S CB 0.702 63.873 63.200 -0.049 0.000 1.093 26 S HN 0.247 nan 8.310 nan 0.000 0.472 27 D N 3.606 124.067 120.400 0.102 0.000 2.402 27 D HA 0.405 5.045 4.640 -0.000 0.000 0.235 27 D C 1.208 177.557 176.300 0.082 0.000 1.226 27 D CA 0.137 54.202 54.000 0.108 0.000 0.918 27 D CB 0.490 41.366 40.800 0.126 0.000 1.043 27 D HN 0.666 nan 8.370 nan 0.000 0.506 28 G N 3.225 112.075 108.800 0.083 0.000 2.777 28 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.211 28 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.211 28 G C 0.598 175.532 174.900 0.057 0.000 1.149 28 G CA -0.280 44.861 45.100 0.067 0.000 0.785 28 G HN 0.490 nan 8.290 nan 0.000 0.536 29 N N -0.358 118.374 118.700 0.054 0.000 2.653 29 N HA 0.326 5.066 4.740 -0.000 0.000 0.261 29 N C -2.321 173.194 175.510 0.009 0.000 1.216 29 N CA -1.804 51.265 53.050 0.033 0.000 0.784 29 N CB 2.070 40.579 38.487 0.038 0.000 1.327 29 N HN -0.236 nan 8.380 nan 0.000 0.539 30 P HA -0.002 nan 4.420 nan 0.000 0.225 30 P C 0.893 178.144 177.300 -0.081 0.000 1.148 30 P CA 0.703 63.784 63.100 -0.031 0.000 0.779 30 P CB 0.277 31.971 31.700 -0.011 0.000 0.780 31 A N 0.966 123.753 122.820 -0.056 0.000 2.067 31 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 31 A C 1.766 179.292 177.584 -0.097 0.000 1.158 31 A CA 1.721 53.716 52.037 -0.070 0.000 0.661 31 A CB -1.316 17.660 19.000 -0.039 0.000 0.801 31 A HN 0.334 nan 8.150 nan 0.000 0.452 32 N N -0.382 118.261 118.700 -0.094 0.000 2.280 32 N HA 0.020 4.760 4.740 -0.000 0.000 0.192 32 N C -0.569 174.831 175.510 -0.183 0.000 1.109 32 N CA -0.322 52.658 53.050 -0.117 0.000 0.855 32 N CB -0.483 37.956 38.487 -0.081 0.000 0.974 32 N HN 0.176 nan 8.380 nan 0.000 0.482 33 N N 1.978 120.533 118.700 -0.241 0.000 2.492 33 N HA 0.214 4.954 4.740 -0.000 0.000 0.260 33 N C -2.337 172.876 175.510 -0.495 0.000 1.215 33 N CA -0.982 51.828 53.050 -0.401 0.000 0.923 33 N CB 0.155 38.233 38.487 -0.683 0.000 1.092 33 N HN 0.195 nan 8.380 nan 0.000 0.448 34 P HA 0.124 nan 4.420 nan 0.000 0.272 34 P C 0.081 177.179 177.300 -0.336 0.000 1.230 34 P CA -0.154 62.734 63.100 -0.354 0.000 0.788 34 P CB 0.546 32.026 31.700 -0.368 0.000 0.949 35 T N -2.096 112.363 114.554 -0.159 0.000 2.905 35 T HA 0.699 5.049 4.350 -0.000 0.000 0.283 35 T C 0.596 175.331 174.700 0.057 0.000 1.031 35 T CA -0.020 62.034 62.100 -0.076 0.000 1.002 35 T CB 0.989 69.800 68.868 -0.095 0.000 1.200 35 T HN 0.698 nan 8.240 nan 0.000 0.560 36 G N 0.657 109.502 108.800 0.075 0.000 2.564 36 G HA2 0.011 3.971 3.960 -0.000 0.000 0.273 36 G HA3 0.011 3.971 3.960 -0.000 0.000 0.273 36 G C 1.044 176.016 174.900 0.121 0.000 1.242 36 G CA 0.491 45.639 45.100 0.081 0.000 0.951 36 G HN 1.839 nan 8.290 nan 0.000 0.564 37 A N -0.311 122.565 122.820 0.094 0.000 2.239 37 A HA 0.513 4.833 4.320 -0.000 0.000 0.209 37 A C 2.363 180.025 177.584 0.129 0.000 1.171 37 A CA 2.096 54.191 52.037 0.096 0.000 0.768 37 A CB -0.549 18.493 19.000 0.071 0.000 0.790 37 A HN 2.237 nan 8.150 nan 0.000 0.478 38 A N -1.779 121.144 122.820 0.171 0.000 2.387 38 A HA 0.555 4.875 4.320 -0.000 0.000 0.234 38 A C 0.035 177.827 177.584 0.346 0.000 1.253 38 A CA -0.131 52.051 52.037 0.241 0.000 0.894 38 A CB -0.112 19.021 19.000 0.223 0.000 0.963 38 A HN 0.462 nan 8.150 nan 0.000 0.508 39 F N -0.286 119.723 119.950 0.097 0.000 2.556 39 F HA 0.603 5.130 4.527 -0.000 0.000 0.314 39 F C -1.704 174.133 175.800 0.061 0.000 1.106 39 F CA -1.358 56.697 58.000 0.091 0.000 0.911 39 F CB 1.963 40.989 39.000 0.043 0.000 1.190 39 F HN -0.026 nan 8.300 nan 0.000 0.448 40 D N 3.306 123.140 120.400 -0.944 0.000 2.330 40 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 40 D C 0.902 176.645 176.300 -0.928 0.000 1.306 40 D CA 0.014 53.590 54.000 -0.707 0.000 0.956 40 D CB 1.160 41.771 40.800 -0.316 0.000 1.261 40 D HN 0.721 nan 8.370 nan 0.000 0.544 41 G N 1.614 109.849 108.800 -0.941 0.000 2.479 41 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 41 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 41 G C 1.341 176.138 174.900 -0.173 0.000 1.115 41 G CA 1.531 46.405 45.100 -0.378 0.000 0.757 41 G HN 0.536 nan 8.290 nan 0.000 0.560 42 T N -3.747 110.707 114.554 -0.167 0.000 3.088 42 T HA 0.023 4.373 4.350 -0.000 0.000 0.259 42 T C 1.298 175.931 174.700 -0.112 0.000 1.122 42 T CA 0.597 62.637 62.100 -0.100 0.000 1.095 42 T CB -0.619 68.204 68.868 -0.074 0.000 0.930 42 T HN 0.581 nan 8.240 nan 0.000 0.508 43 c N 1.868 120.367 118.600 -0.168 0.000 4.167 43 c HA -0.186 4.384 4.570 -0.000 0.000 0.302 43 c C 1.484 175.509 174.090 -0.110 0.000 1.384 43 c CA 0.971 57.210 56.329 -0.149 0.000 2.041 43 c CB -2.659 39.786 42.510 -0.108 0.000 1.303 43 c HN 0.797 nan 8.230 nan 0.000 0.718 44 T N -0.608 113.883 114.554 -0.105 0.000 3.039 44 T HA 0.032 4.382 4.350 -0.000 0.000 0.250 44 T C 0.694 175.350 174.700 -0.073 0.000 1.052 44 T CA 0.834 62.890 62.100 -0.073 0.000 1.125 44 T CB -0.127 68.707 68.868 -0.058 0.000 0.908 44 T HN 0.658 nan 8.240 nan 0.000 0.473 45 N N 2.109 120.753 118.700 -0.092 0.000 2.500 45 N HA 0.217 4.957 4.740 -0.000 0.000 0.236 45 N C 0.433 175.865 175.510 -0.130 0.000 1.022 45 N CA -0.266 52.735 53.050 -0.082 0.000 0.935 45 N CB 0.287 38.737 38.487 -0.062 0.000 1.147 45 N HN 0.230 nan 8.380 nan 0.000 0.512 46 L N 2.843 123.992 121.223 -0.123 0.000 2.675 46 L HA 0.051 4.391 4.340 -0.000 0.000 0.238 46 L C 1.237 177.913 176.870 -0.324 0.000 1.155 46 L CA 0.485 55.205 54.840 -0.201 0.000 0.881 46 L CB -0.079 41.911 42.059 -0.114 0.000 1.008 46 L HN 0.379 nan 8.230 nan 0.000 0.443 47 R N -1.345 119.036 120.500 -0.198 0.000 2.472 47 R HA 0.290 4.630 4.340 -0.000 0.000 0.279 47 R C -0.306 175.944 176.300 -0.083 0.000 0.953 47 R CA -0.352 55.698 56.100 -0.082 0.000 1.088 47 R CB 0.490 30.870 30.300 0.133 0.000 1.197 47 R HN 0.057 nan 8.270 nan 0.000 0.536 48 L N -0.295 120.812 121.223 -0.194 0.000 2.299 48 L HA 0.386 4.726 4.340 -0.000 0.000 0.268 48 L C -0.136 176.642 176.870 -0.153 0.000 1.012 48 L CA -1.463 53.343 54.840 -0.056 0.000 0.816 48 L CB 0.249 42.297 42.059 -0.019 0.000 1.355 48 L HN -0.110 nan 8.230 nan 0.000 0.457 49 Y N -0.949 119.356 120.300 0.009 0.000 2.309 49 Y HA 0.148 4.698 4.550 -0.000 0.000 0.327 49 Y C 0.967 176.828 175.900 -0.065 0.000 1.172 49 Y CA 0.090 58.242 58.100 0.087 0.000 1.280 49 Y CB 0.984 39.615 38.460 0.284 0.000 1.234 49 Y HN 0.480 nan 8.280 nan 0.000 0.512 50 c N 0.643 119.320 118.600 0.128 0.000 3.065 50 c HA 0.343 4.912 4.570 -0.000 0.000 0.285 50 c C 1.656 175.898 174.090 0.252 0.000 1.257 50 c CA 0.302 56.618 56.329 -0.022 0.000 1.691 50 c CB -0.400 42.079 42.510 -0.051 0.000 2.089 50 c HN 1.227 nan 8.230 nan 0.000 0.630 51 G N 0.585 109.664 108.800 0.466 0.000 2.179 51 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.220 51 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.220 51 G C 0.387 175.439 174.900 0.254 0.000 0.990 51 G CA -0.050 45.308 45.100 0.430 0.000 0.646 51 G HN 0.812 nan 8.290 nan 0.000 0.517 52 G N 0.580 109.514 108.800 0.223 0.000 2.414 52 G HA2 0.526 4.486 3.960 -0.000 0.000 0.236 52 G HA3 0.526 4.486 3.960 -0.000 0.000 0.236 52 G C 0.074 175.053 174.900 0.131 0.000 1.293 52 G CA 1.098 46.299 45.100 0.167 0.000 0.869 52 G HN 1.002 nan 8.290 nan 0.000 0.556 53 D N -0.475 119.983 120.400 0.097 0.000 2.812 53 D HA 0.248 4.888 4.640 -0.000 0.000 0.318 53 D C 0.479 176.845 176.300 0.109 0.000 1.234 53 D CA -0.867 53.130 54.000 -0.004 0.000 0.989 53 D CB 0.231 41.034 40.800 0.006 0.000 1.442 53 D HN 0.312 nan 8.370 nan 0.000 0.537 54 W N -0.527 120.842 121.300 0.114 0.000 2.436 54 W HA 0.017 4.677 4.660 -0.000 0.000 0.284 54 W C 2.052 178.619 176.519 0.081 0.000 1.225 54 W CA 0.708 58.108 57.345 0.090 0.000 1.271 54 W CB -0.885 28.654 29.460 0.132 0.000 1.114 54 W HN 0.491 nan 8.180 nan 0.000 0.559 55 Q N 0.436 120.403 119.800 0.279 0.000 2.050 55 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 55 Q C 2.433 178.523 176.000 0.150 0.000 0.980 55 Q CA 2.491 58.402 55.803 0.180 0.000 0.840 55 Q CB -1.119 27.697 28.738 0.130 0.000 0.898 55 Q HN 0.165 nan 8.270 nan 0.000 0.424 56 G N 0.630 109.525 108.800 0.158 0.000 2.446 56 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 56 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 56 G C 1.489 176.508 174.900 0.199 0.000 1.168 56 G CA 1.114 46.300 45.100 0.143 0.000 0.771 56 G HN 0.434 nan 8.290 nan 0.000 0.551 57 I N 0.609 121.354 120.570 0.293 0.000 2.163 57 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 57 I C 2.694 178.917 176.117 0.177 0.000 1.085 57 I CA 0.923 62.407 61.300 0.306 0.000 1.347 57 I CB -0.263 37.867 38.000 0.216 0.000 1.044 57 I HN 0.159 nan 8.210 nan 0.000 0.408 58 I N 0.877 121.526 120.570 0.132 0.000 2.264 58 I HA -0.313 3.856 4.170 -0.000 0.000 0.248 58 I C 2.186 178.336 176.117 0.055 0.000 1.111 58 I CA 1.307 62.651 61.300 0.074 0.000 1.382 58 I CB -0.574 37.467 38.000 0.069 0.000 1.060 58 I HN 0.322 nan 8.210 nan 0.000 0.418 59 N N 0.925 119.657 118.700 0.053 0.000 2.120 59 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 59 N C 1.710 177.200 175.510 -0.034 0.000 1.024 59 N CA 1.117 54.169 53.050 0.004 0.000 0.852 59 N CB -0.208 38.271 38.487 -0.014 0.000 1.003 59 N HN 0.268 nan 8.380 nan 0.000 0.424 60 K N 0.715 121.103 120.400 -0.020 0.000 2.296 60 K HA 0.128 4.448 4.320 -0.000 0.000 0.200 60 K C 2.040 178.674 176.600 0.056 0.000 1.048 60 K CA 0.199 56.457 56.287 -0.048 0.000 0.966 60 K CB -0.104 32.384 32.500 -0.020 0.000 0.754 60 K HN 0.302 nan 8.250 nan 0.000 0.466 61 I N 1.087 121.696 120.570 0.064 0.000 2.286 61 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 61 I C 1.524 177.653 176.117 0.020 0.000 1.104 61 I CA 1.146 62.470 61.300 0.040 0.000 1.397 61 I CB -0.244 37.772 38.000 0.028 0.000 1.072 61 I HN 0.242 nan 8.210 nan 0.000 0.417 62 N N 0.739 119.447 118.700 0.013 0.000 2.270 62 N HA -0.171 4.569 4.740 -0.000 0.000 0.181 62 N C 0.893 176.404 175.510 0.002 0.000 1.016 62 N CA 1.089 54.142 53.050 0.006 0.000 0.870 62 N CB -0.013 38.477 38.487 0.005 0.000 0.979 62 N HN 0.422 nan 8.380 nan 0.000 0.431 63 D N -0.327 120.069 120.400 -0.006 0.000 2.319 63 D HA 0.087 4.727 4.640 -0.000 0.000 0.230 63 D C 1.134 177.449 176.300 0.024 0.000 1.094 63 D CA 0.177 54.173 54.000 -0.007 0.000 0.856 63 D CB -0.311 40.464 40.800 -0.040 0.000 0.915 63 D HN 0.199 nan 8.370 nan 0.000 0.517 64 G N -0.201 108.620 108.800 0.034 0.000 2.162 64 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.260 64 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.260 64 G C 0.610 175.567 174.900 0.094 0.000 0.976 64 G CA 0.502 45.630 45.100 0.047 0.000 0.655 64 G HN 0.410 nan 8.290 nan 0.000 0.533 65 Y N 0.594 120.890 120.300 -0.006 0.000 2.114 65 Y HA 0.099 4.649 4.550 -0.000 0.000 0.284 65 Y C 2.640 178.595 175.900 0.092 0.000 1.143 65 Y CA 2.334 60.472 58.100 0.064 0.000 1.135 65 Y CB -0.331 38.108 38.460 -0.034 0.000 0.980 65 Y HN 0.295 nan 8.280 nan 0.000 0.499 66 L N -0.765 120.421 121.223 -0.062 0.000 2.044 66 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 66 L C 2.611 179.357 176.870 -0.207 0.000 1.075 66 L CA 1.809 56.511 54.840 -0.230 0.000 0.747 66 L CB -1.148 40.837 42.059 -0.123 0.000 0.903 66 L HN 0.339 nan 8.230 nan 0.000 0.435 67 T N -2.929 111.564 114.554 -0.102 0.000 2.833 67 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 67 T C 1.922 176.568 174.700 -0.089 0.000 1.054 67 T CA 1.039 63.088 62.100 -0.085 0.000 1.135 67 T CB -0.868 67.974 68.868 -0.042 0.000 0.869 67 T HN 0.381 nan 8.240 nan 0.000 0.466 68 G N 0.685 109.453 108.800 -0.052 0.000 2.432 68 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.219 68 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.219 68 G C 1.584 176.432 174.900 -0.086 0.000 1.135 68 G CA 0.647 45.758 45.100 0.018 0.000 0.767 68 G HN 0.483 nan 8.290 nan 0.000 0.550 69 M N -0.197 119.193 119.600 -0.349 0.000 2.319 69 M HA 0.144 4.624 4.480 -0.000 0.000 0.265 69 M C 1.912 177.982 176.300 -0.384 0.000 1.068 69 M CA 1.227 56.100 55.300 -0.712 0.000 1.118 69 M CB 0.222 32.280 32.600 -0.904 0.000 1.395 69 M HN 0.418 nan 8.290 nan 0.000 0.435 70 G N 0.046 108.697 108.800 -0.249 0.000 2.159 70 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.227 70 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.227 70 G C 0.013 174.819 174.900 -0.157 0.000 0.986 70 G CA -0.085 44.910 45.100 -0.174 0.000 0.651 70 G HN 0.300 nan 8.290 nan 0.000 0.523 71 V N 1.617 121.423 119.914 -0.179 0.000 2.655 71 V HA 0.488 4.607 4.120 -0.000 0.000 0.300 71 V C 1.639 177.686 176.094 -0.078 0.000 1.044 71 V CA 1.573 63.803 62.300 -0.116 0.000 1.095 71 V CB 1.483 33.211 31.823 -0.158 0.000 0.952 71 V HN 0.880 nan 8.190 nan 0.000 0.485 72 T N 0.952 115.481 114.554 -0.043 0.000 3.111 72 T HA 0.674 5.024 4.350 -0.000 0.000 0.284 72 T C -0.091 174.604 174.700 -0.008 0.000 0.983 72 T CA 0.369 62.438 62.100 -0.052 0.000 0.900 72 T CB 0.387 69.191 68.868 -0.106 0.000 1.132 72 T HN 1.091 nan 8.240 nan 0.000 0.531 73 A N 1.488 124.354 122.820 0.078 0.000 2.577 73 A HA 0.740 5.060 4.320 -0.000 0.000 0.297 73 A C -1.278 176.446 177.584 0.234 0.000 1.060 73 A CA -1.173 50.976 52.037 0.186 0.000 0.697 73 A CB 1.014 20.205 19.000 0.319 0.000 1.281 73 A HN 0.807 nan 8.150 nan 0.000 0.402 74 I N -1.847 118.871 120.570 0.246 0.000 2.545 74 I HA 0.861 5.031 4.170 -0.000 0.000 0.292 74 I C -0.971 175.347 176.117 0.335 0.000 1.040 74 I CA -0.712 60.738 61.300 0.251 0.000 1.068 74 I CB 1.949 40.031 38.000 0.137 0.000 1.251 74 I HN 0.763 nan 8.210 nan 0.000 0.424 75 W N 8.916 130.298 121.300 0.136 0.000 2.411 75 W HA 0.763 5.423 4.660 -0.000 0.000 0.317 75 W C -1.286 175.264 176.519 0.052 0.000 1.030 75 W CA -1.970 55.453 57.345 0.131 0.000 1.239 75 W CB 0.788 30.374 29.460 0.211 0.000 1.304 75 W HN 0.675 nan 8.180 nan 0.000 0.437 76 I N 2.628 123.395 120.570 0.328 0.000 2.822 76 I HA 0.665 4.835 4.170 -0.000 0.000 0.312 76 I C 0.381 176.528 176.117 0.049 0.000 1.011 76 I CA -0.993 60.350 61.300 0.071 0.000 1.105 76 I CB 1.567 39.613 38.000 0.077 0.000 1.291 76 I HN 0.261 nan 8.210 nan 0.000 0.474 77 S N 1.799 117.390 115.700 -0.181 0.000 2.566 77 S HA -0.028 4.442 4.470 -0.000 0.000 0.280 77 S C 0.007 174.565 174.600 -0.071 0.000 1.343 77 S CA -0.410 57.618 58.200 -0.286 0.000 1.036 77 S CB 0.332 63.234 63.200 -0.496 0.000 0.866 77 S HN 0.739 nan 8.310 nan 0.000 0.526 78 Q N 3.050 122.769 119.800 -0.135 0.000 2.264 78 Q HA -0.011 4.329 4.340 -0.000 0.000 0.296 78 Q C -1.435 174.599 176.000 0.056 0.000 1.103 78 Q CA -1.046 54.722 55.803 -0.059 0.000 0.967 78 Q CB 0.556 29.213 28.738 -0.134 0.000 1.090 78 Q HN 0.358 nan 8.270 nan 0.000 0.379 79 P HA -0.085 nan 4.420 nan 0.000 0.229 79 P C 0.543 177.924 177.300 0.134 0.000 1.160 79 P CA 0.485 63.738 63.100 0.254 0.000 0.777 79 P CB -0.198 31.440 31.700 -0.102 0.000 0.814 80 V N -0.987 118.884 119.914 -0.072 0.000 3.139 80 V HA 0.107 4.227 4.120 -0.000 0.000 0.307 80 V C 0.508 176.566 176.094 -0.061 0.000 1.095 80 V CA -0.803 61.516 62.300 0.032 0.000 1.160 80 V CB -0.189 31.618 31.823 -0.027 0.000 1.003 80 V HN 0.024 nan 8.190 nan 0.000 0.489 81 E N 3.207 123.390 120.200 -0.029 0.000 2.415 81 E HA 0.056 4.406 4.350 -0.000 0.000 0.260 81 E C -0.049 176.414 176.600 -0.228 0.000 1.016 81 E CA 0.122 56.449 56.400 -0.123 0.000 0.924 81 E CB 0.141 29.817 29.700 -0.040 0.000 0.961 81 E HN 0.882 nan 8.360 nan 0.000 0.459 82 N N 3.397 121.898 118.700 -0.332 0.000 2.477 82 N HA 0.280 5.020 4.740 -0.000 0.000 0.284 82 N C 0.246 175.494 175.510 -0.437 0.000 1.182 82 N CA -0.699 52.173 53.050 -0.296 0.000 0.949 82 N CB 0.987 39.316 38.487 -0.263 0.000 1.204 82 N HN 0.464 nan 8.380 nan 0.000 0.526 83 I N -1.117 119.333 120.570 -0.200 0.000 2.993 83 I HA -0.033 4.137 4.170 -0.000 0.000 0.286 83 I C 0.009 175.949 176.117 -0.295 0.000 1.215 83 I CA 0.063 61.252 61.300 -0.185 0.000 1.393 83 I CB 0.220 38.211 38.000 -0.016 0.000 1.371 83 I HN 0.604 nan 8.210 nan 0.000 0.602 84 Y N 1.529 121.837 120.300 0.013 0.000 2.458 84 Y HA 0.157 4.707 4.550 -0.000 0.000 0.254 84 Y C 1.360 177.276 175.900 0.027 0.000 1.120 84 Y CA -0.245 57.861 58.100 0.010 0.000 1.282 84 Y CB -0.134 38.304 38.460 -0.037 0.000 1.109 84 Y HN 0.558 nan 8.280 nan 0.000 0.526 85 S N 1.222 116.994 115.700 0.120 0.000 2.549 85 S HA 0.202 4.672 4.470 -0.000 0.000 0.283 85 S C -0.239 174.403 174.600 0.069 0.000 1.320 85 S CA -0.432 57.796 58.200 0.047 0.000 1.058 85 S CB 0.826 63.984 63.200 -0.070 0.000 0.882 85 S HN 0.085 nan 8.310 nan 0.000 0.498 86 I N 2.476 123.083 120.570 0.062 0.000 2.395 86 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 86 I C -0.067 176.052 176.117 0.003 0.000 1.023 86 I CA 0.074 61.427 61.300 0.087 0.000 1.350 86 I CB 0.535 38.587 38.000 0.087 0.000 1.409 86 I HN 0.551 nan 8.210 nan 0.000 0.507 87 I N 5.880 126.446 120.570 -0.006 0.000 2.378 87 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 87 I C -0.162 175.847 176.117 -0.180 0.000 0.992 87 I CA -0.645 60.538 61.300 -0.194 0.000 1.154 87 I CB 1.411 39.164 38.000 -0.413 0.000 1.315 87 I HN 0.529 nan 8.210 nan 0.000 0.448 88 N N 5.130 123.735 118.700 -0.158 0.000 2.420 88 N HA 0.203 4.943 4.740 -0.000 0.000 0.249 88 N C -1.293 174.157 175.510 -0.100 0.000 1.033 88 N CA -0.277 52.735 53.050 -0.063 0.000 0.944 88 N CB 0.455 38.942 38.487 0.000 0.000 1.113 88 N HN 0.325 nan 8.380 nan 0.000 0.502 89 Y N 3.047 123.414 120.300 0.111 0.000 2.907 89 Y HA 0.255 4.805 4.550 -0.000 0.000 0.332 89 Y C 0.226 176.157 175.900 0.052 0.000 1.211 89 Y CA -0.734 57.418 58.100 0.086 0.000 1.387 89 Y CB -0.073 38.445 38.460 0.097 0.000 1.396 89 Y HN 0.612 nan 8.280 nan 0.000 0.519 90 S N 1.343 117.145 115.700 0.170 0.000 3.886 90 S HA -0.117 4.353 4.470 -0.000 0.000 0.398 90 S C 1.255 175.905 174.600 0.084 0.000 0.931 90 S CA 0.958 59.220 58.200 0.102 0.000 1.217 90 S CB -1.428 61.825 63.200 0.090 0.000 0.874 90 S HN 1.368 nan 8.310 nan 0.000 0.521 91 G N -1.735 107.110 108.800 0.074 0.000 2.284 91 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.230 91 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.230 91 G C 0.068 175.011 174.900 0.071 0.000 1.021 91 G CA 0.040 45.176 45.100 0.060 0.000 0.619 91 G HN 1.793 nan 8.290 nan 0.000 0.510 92 V N 0.543 120.518 119.914 0.102 0.000 2.383 92 V HA 0.679 4.798 4.120 -0.000 0.000 0.275 92 V C 0.072 176.245 176.094 0.132 0.000 1.036 92 V CA -1.617 60.752 62.300 0.114 0.000 0.889 92 V CB 1.433 33.334 31.823 0.131 0.000 0.985 92 V HN 0.237 nan 8.190 nan 0.000 0.459 93 N N 4.155 122.920 118.700 0.108 0.000 2.520 93 N HA 0.322 5.062 4.740 -0.000 0.000 0.273 93 N C -0.488 175.123 175.510 0.169 0.000 1.155 93 N CA 0.071 53.188 53.050 0.111 0.000 0.967 93 N CB 0.486 39.026 38.487 0.088 0.000 1.092 93 N HN 0.790 nan 8.380 nan 0.000 0.457 94 N N 0.223 119.053 118.700 0.216 0.000 2.295 94 N HA 0.299 5.039 4.740 -0.000 0.000 0.293 94 N C -0.601 175.126 175.510 0.362 0.000 1.040 94 N CA -0.432 52.821 53.050 0.338 0.000 0.840 94 N CB 2.037 40.850 38.487 0.543 0.000 1.468 94 N HN 0.508 nan 8.380 nan 0.000 0.478 95 T N -2.155 112.590 114.554 0.319 0.000 2.948 95 T HA 0.553 4.903 4.350 -0.000 0.000 0.285 95 T C 0.749 175.438 174.700 -0.020 0.000 1.019 95 T CA -0.766 61.488 62.100 0.255 0.000 1.013 95 T CB 1.719 70.737 68.868 0.250 0.000 1.117 95 T HN 0.382 nan 8.240 nan 0.000 0.533 96 A N 0.733 123.451 122.820 -0.169 0.000 2.503 96 A HA 0.265 4.585 4.320 -0.000 0.000 0.263 96 A C 1.292 178.227 177.584 -1.083 0.000 1.360 96 A CA -0.310 51.241 52.037 -0.810 0.000 0.969 96 A CB -1.588 17.276 19.000 -0.227 0.000 1.000 96 A HN 0.968 nan 8.150 nan 0.000 0.530 97 Y N 0.017 119.673 120.300 -1.073 0.000 2.241 97 Y HA -0.343 4.207 4.550 -0.000 0.000 0.286 97 Y C 1.868 177.436 175.900 -0.554 0.000 1.166 97 Y CA 1.799 59.239 58.100 -1.100 0.000 1.203 97 Y CB -1.279 36.636 38.460 -0.908 0.000 0.977 97 Y HN 0.658 nan 8.280 nan 0.000 0.529 98 H N -1.081 117.155 119.070 -1.390 0.000 2.491 98 H HA 0.231 4.787 4.556 -0.000 0.000 0.290 98 H C 2.027 176.851 175.328 -0.841 0.000 1.050 98 H CA 0.432 55.850 56.048 -1.049 0.000 1.309 98 H CB -0.807 28.442 29.762 -0.855 0.000 1.392 98 H HN 0.458 nan 8.280 nan 0.000 0.554 99 G N -0.523 107.857 108.800 -0.700 0.000 2.157 99 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 99 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 99 G C 0.246 174.949 174.900 -0.328 0.000 0.979 99 G CA 0.422 45.261 45.100 -0.436 0.000 0.650 99 G HN 0.520 nan 8.290 nan 0.000 0.529 100 Y N -1.206 119.130 120.300 0.060 0.000 2.468 100 Y HA 0.403 4.953 4.550 -0.000 0.000 0.268 100 Y C 0.716 176.843 175.900 0.379 0.000 1.177 100 Y CA -0.839 57.351 58.100 0.150 0.000 1.265 100 Y CB 0.335 38.853 38.460 0.096 0.000 1.103 100 Y HN 0.376 nan 8.280 nan 0.000 0.522 101 W N 1.409 122.856 121.300 0.245 0.000 2.149 101 W HA 0.684 5.344 4.660 -0.000 0.000 0.291 101 W C 0.050 176.556 176.519 -0.021 0.000 0.875 101 W CA -2.122 55.313 57.345 0.149 0.000 1.885 101 W CB -0.413 29.108 29.460 0.103 0.000 2.062 101 W HN -0.147 nan 8.180 nan 0.000 0.391 102 A N 2.189 125.088 122.820 0.130 0.000 2.462 102 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 102 A C 1.489 179.024 177.584 -0.082 0.000 1.076 102 A CA 0.194 52.113 52.037 -0.198 0.000 0.773 102 A CB 0.572 19.112 19.000 -0.767 0.000 1.010 102 A HN 0.635 nan 8.150 nan 0.000 0.493 103 R N 0.362 120.803 120.500 -0.099 0.000 2.383 103 R HA 0.165 4.505 4.340 -0.000 0.000 0.205 103 R C -0.991 175.427 176.300 0.198 0.000 0.875 103 R CA 0.458 56.618 56.100 0.099 0.000 1.039 103 R CB 0.665 31.020 30.300 0.092 0.000 1.267 103 R HN 0.586 nan 8.270 nan 0.000 0.635 104 D N -0.120 120.320 120.400 0.067 0.000 2.616 104 D HA 0.175 4.815 4.640 -0.000 0.000 0.238 104 D C -0.591 175.821 176.300 0.187 0.000 1.354 104 D CA -0.609 53.541 54.000 0.250 0.000 0.970 104 D CB 1.159 42.095 40.800 0.227 0.000 1.369 104 D HN 0.025 nan 8.370 nan 0.000 0.585 105 F N 1.904 122.100 119.950 0.410 0.000 2.802 105 F HA 0.157 4.684 4.527 -0.000 0.000 0.300 105 F C 1.987 178.058 175.800 0.451 0.000 1.168 105 F CA 0.524 58.747 58.000 0.371 0.000 1.433 105 F CB 0.312 39.478 39.000 0.278 0.000 1.115 105 F HN 0.139 nan 8.300 nan 0.000 0.582 106 K N -0.330 120.345 120.400 0.458 0.000 2.372 106 K HA 0.155 4.474 4.320 -0.000 0.000 0.200 106 K C 0.224 176.933 176.600 0.181 0.000 1.022 106 K CA 0.169 56.613 56.287 0.262 0.000 1.125 106 K CB 0.471 33.086 32.500 0.192 0.000 0.855 106 K HN 0.056 nan 8.250 nan 0.000 0.524 107 K N 0.506 121.071 120.400 0.274 0.000 2.444 107 K HA 0.252 4.572 4.320 -0.000 0.000 0.252 107 K C -0.229 176.555 176.600 0.307 0.000 0.993 107 K CA -0.684 55.729 56.287 0.210 0.000 0.847 107 K CB 2.044 34.631 32.500 0.146 0.000 1.340 107 K HN -0.025 nan 8.250 nan 0.000 0.446 108 T N -1.562 113.153 114.554 0.268 0.000 2.881 108 T HA 0.197 4.547 4.350 -0.000 0.000 0.278 108 T C 0.146 174.904 174.700 0.098 0.000 0.982 108 T CA -0.795 61.493 62.100 0.314 0.000 0.989 108 T CB 0.880 70.007 68.868 0.432 0.000 1.058 108 T HN 0.455 nan 8.240 nan 0.000 0.529 109 N N 2.222 120.904 118.700 -0.030 0.000 2.420 109 N HA 0.227 4.967 4.740 -0.000 0.000 0.249 109 N C -1.522 173.814 175.510 -0.290 0.000 1.033 109 N CA -2.462 50.416 53.050 -0.287 0.000 0.944 109 N CB 1.273 39.359 38.487 -0.668 0.000 1.113 109 N HN 0.360 nan 8.380 nan 0.000 0.502 110 P HA -0.142 nan 4.420 nan 0.000 0.220 110 P C 0.840 178.022 177.300 -0.195 0.000 1.144 110 P CA 0.940 63.970 63.100 -0.117 0.000 0.800 110 P CB 0.203 31.884 31.700 -0.032 0.000 0.772 111 A N -1.203 121.441 122.820 -0.293 0.000 2.015 111 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 111 A C 2.003 179.507 177.584 -0.132 0.000 1.163 111 A CA 1.138 53.016 52.037 -0.264 0.000 0.646 111 A CB -1.386 17.383 19.000 -0.384 0.000 0.806 111 A HN 0.083 nan 8.150 nan 0.000 0.448 112 Y N -0.827 119.210 120.300 -0.438 0.000 2.269 112 Y HA 0.378 4.928 4.550 -0.000 0.000 0.294 112 Y C 1.591 176.876 175.900 -1.026 0.000 1.120 112 Y CA 0.165 57.723 58.100 -0.903 0.000 1.159 112 Y CB -0.703 36.899 38.460 -1.431 0.000 1.024 112 Y HN 0.424 nan 8.280 nan 0.000 0.532 113 G N -1.082 107.380 108.800 -0.563 0.000 2.341 113 G HA2 0.309 4.269 3.960 -0.000 0.000 0.293 113 G HA3 0.309 4.269 3.960 -0.000 0.000 0.293 113 G C -0.775 174.218 174.900 0.155 0.000 1.298 113 G CA -0.490 44.547 45.100 -0.105 0.000 0.868 113 G HN 0.174 nan 8.290 nan 0.000 0.540 114 T N -1.683 113.057 114.554 0.311 0.000 2.897 114 T HA 0.594 4.944 4.350 -0.000 0.000 0.278 114 T C 1.560 176.529 174.700 0.449 0.000 0.981 114 T CA -0.188 62.090 62.100 0.297 0.000 0.973 114 T CB 1.491 70.475 68.868 0.194 0.000 1.092 114 T HN 0.493 nan 8.240 nan 0.000 0.543 115 I N 0.846 121.601 120.570 0.308 0.000 2.454 115 I HA -0.065 4.105 4.170 -0.000 0.000 0.254 115 I C 2.784 179.065 176.117 0.274 0.000 1.156 115 I CA 1.394 62.860 61.300 0.276 0.000 1.433 115 I CB -0.590 37.480 38.000 0.116 0.000 1.082 115 I HN 0.890 nan 8.210 nan 0.000 0.432 116 A N 0.297 123.251 122.820 0.222 0.000 1.873 116 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 116 A C 2.010 179.719 177.584 0.208 0.000 1.186 116 A CA 1.922 54.063 52.037 0.173 0.000 0.616 116 A CB -0.585 18.492 19.000 0.129 0.000 0.823 116 A HN 0.329 nan 8.150 nan 0.000 0.442 117 D N -1.016 119.564 120.400 0.299 0.000 2.123 117 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 117 D C 1.605 178.096 176.300 0.318 0.000 0.992 117 D CA 1.253 55.465 54.000 0.353 0.000 0.833 117 D CB -0.436 40.681 40.800 0.528 0.000 0.954 117 D HN 0.468 nan 8.370 nan 0.000 0.455 118 F N 1.673 121.720 119.950 0.162 0.000 2.134 118 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 118 F C 2.394 178.110 175.800 -0.140 0.000 1.097 118 F CA 1.341 59.202 58.000 -0.231 0.000 1.264 118 F CB -0.052 38.777 39.000 -0.285 0.000 1.001 118 F HN -0.085 nan 8.300 nan 0.000 0.479 119 Q N -0.281 119.561 119.800 0.069 0.000 2.167 119 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 119 Q C 1.838 177.775 176.000 -0.105 0.000 0.970 119 Q CA 1.650 57.438 55.803 -0.026 0.000 0.855 119 Q CB -0.501 28.272 28.738 0.059 0.000 0.911 119 Q HN 0.608 nan 8.270 nan 0.000 0.438 120 N N 0.413 119.084 118.700 -0.049 0.000 2.188 120 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 120 N C 1.717 177.158 175.510 -0.115 0.000 1.018 120 N CA 0.338 53.363 53.050 -0.042 0.000 0.858 120 N CB 0.021 38.527 38.487 0.031 0.000 0.989 120 N HN 0.065 nan 8.380 nan 0.000 0.426 121 L N 1.507 122.610 121.223 -0.200 0.000 2.017 121 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 121 L C 1.750 178.396 176.870 -0.373 0.000 1.073 121 L CA 1.489 56.158 54.840 -0.285 0.000 0.745 121 L CB -0.566 41.208 42.059 -0.475 0.000 0.894 121 L HN 0.173 nan 8.230 nan 0.000 0.432 122 I N -0.037 120.223 120.570 -0.517 0.000 2.226 122 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 122 I C 2.662 178.481 176.117 -0.497 0.000 1.100 122 I CA 1.411 62.354 61.300 -0.595 0.000 1.374 122 I CB -1.905 35.748 38.000 -0.578 0.000 1.057 122 I HN 0.353 nan 8.210 nan 0.000 0.413 123 A N 0.997 123.656 122.820 -0.267 0.000 1.873 123 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 123 A C 2.607 180.149 177.584 -0.069 0.000 1.186 123 A CA 1.984 53.949 52.037 -0.120 0.000 0.616 123 A CB -0.829 18.134 19.000 -0.062 0.000 0.823 123 A HN 0.401 nan 8.150 nan 0.000 0.442 124 A N -0.020 122.753 122.820 -0.079 0.000 1.858 124 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 124 A C 2.549 180.114 177.584 -0.032 0.000 1.190 124 A CA 2.396 54.409 52.037 -0.040 0.000 0.617 124 A CB -1.225 17.755 19.000 -0.033 0.000 0.827 124 A HN 1.097 nan 8.150 nan 0.000 0.443 125 A N -0.589 122.186 122.820 -0.074 0.000 1.849 125 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 125 A C 1.956 179.578 177.584 0.064 0.000 1.202 125 A CA 1.879 53.896 52.037 -0.034 0.000 0.629 125 A CB -1.368 17.576 19.000 -0.094 0.000 0.834 125 A HN 0.760 nan 8.150 nan 0.000 0.447 126 H N -0.887 118.151 119.070 -0.053 0.000 2.390 126 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 126 H C 2.437 177.740 175.328 -0.042 0.000 1.106 126 H CA 0.688 56.707 56.048 -0.048 0.000 1.297 126 H CB -0.032 29.703 29.762 -0.045 0.000 1.375 126 H HN 0.583 nan 8.280 nan 0.000 0.509 127 A N 1.056 123.930 122.820 0.091 0.000 1.972 127 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 127 A C 1.762 179.356 177.584 0.015 0.000 1.169 127 A CA 1.230 53.289 52.037 0.036 0.000 0.635 127 A CB 0.057 19.068 19.000 0.019 0.000 0.810 127 A HN 0.191 nan 8.150 nan 0.000 0.446 128 K N -0.077 120.332 120.400 0.016 0.000 2.493 128 K HA 0.107 4.427 4.320 -0.000 0.000 0.207 128 K C -0.420 176.172 176.600 -0.013 0.000 1.033 128 K CA -0.221 56.065 56.287 -0.002 0.000 1.161 128 K CB 0.061 32.558 32.500 -0.005 0.000 0.873 128 K HN 0.473 nan 8.250 nan 0.000 0.491 129 N N 0.899 119.593 118.700 -0.011 0.000 2.747 129 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 129 N C -0.601 174.887 175.510 -0.037 0.000 1.107 129 N CA 0.780 53.805 53.050 -0.042 0.000 0.707 129 N CB -1.558 36.891 38.487 -0.064 0.000 1.054 129 N HN 0.356 nan 8.380 nan 0.000 0.555 130 I N 0.717 121.297 120.570 0.018 0.000 2.362 130 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 130 I C 0.658 176.846 176.117 0.118 0.000 0.994 130 I CA -0.571 60.749 61.300 0.034 0.000 1.158 130 I CB 1.442 39.458 38.000 0.026 0.000 1.315 130 I HN -0.212 nan 8.210 nan 0.000 0.451 131 K N 4.642 125.097 120.400 0.092 0.000 2.154 131 K HA 0.535 4.855 4.320 -0.000 0.000 0.264 131 K C -0.870 175.874 176.600 0.241 0.000 1.008 131 K CA -0.568 55.829 56.287 0.183 0.000 0.937 131 K CB 1.831 34.371 32.500 0.068 0.000 1.002 131 K HN 0.289 nan 8.250 nan 0.000 0.469 132 V N 4.459 124.523 119.914 0.251 0.000 2.384 132 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 132 V C -0.227 176.002 176.094 0.224 0.000 1.020 132 V CA -0.734 61.661 62.300 0.159 0.000 0.850 132 V CB 1.139 32.931 31.823 -0.051 0.000 0.987 132 V HN 0.593 nan 8.190 nan 0.000 0.436 133 I N 5.908 126.623 120.570 0.242 0.000 2.474 133 I HA 0.574 4.744 4.170 -0.000 0.000 0.294 133 I C -0.247 175.976 176.117 0.177 0.000 1.005 133 I CA -0.614 60.802 61.300 0.193 0.000 1.113 133 I CB 1.934 40.062 38.000 0.213 0.000 1.289 133 I HN 0.627 nan 8.210 nan 0.000 0.436 134 I N 1.207 121.830 120.570 0.088 0.000 2.562 134 I HA 0.575 4.745 4.170 -0.000 0.000 0.301 134 I C -0.583 175.558 176.117 0.039 0.000 1.003 134 I CA -0.687 60.672 61.300 0.098 0.000 1.127 134 I CB 1.696 39.715 38.000 0.031 0.000 1.304 134 I HN 0.354 nan 8.210 nan 0.000 0.446 135 D N 3.675 124.158 120.400 0.138 0.000 2.302 135 D HA 0.359 4.999 4.640 -0.000 0.000 0.248 135 D C -1.630 174.784 176.300 0.190 0.000 1.094 135 D CA 0.266 54.358 54.000 0.154 0.000 0.897 135 D CB 1.327 42.285 40.800 0.262 0.000 1.200 135 D HN 0.474 nan 8.370 nan 0.000 0.429 136 F N 1.615 121.571 119.950 0.010 0.000 2.585 136 F HA 0.500 5.027 4.527 -0.000 0.000 0.319 136 F C -0.914 174.951 175.800 0.107 0.000 1.165 136 F CA -0.918 57.108 58.000 0.043 0.000 0.949 136 F CB 1.724 40.732 39.000 0.014 0.000 1.218 136 F HN 0.293 nan 8.300 nan 0.000 0.453 137 A N 7.595 130.285 122.820 -0.217 0.000 2.938 137 A HA 0.521 4.841 4.320 -0.000 0.000 0.344 137 A C -2.438 174.974 177.584 -0.287 0.000 1.142 137 A CA -1.137 50.820 52.037 -0.133 0.000 0.841 137 A CB -0.150 18.904 19.000 0.088 0.000 1.083 137 A HN 0.439 nan 8.150 nan 0.000 0.479 138 P HA 0.024 nan 4.420 nan 0.000 0.256 138 P C 0.573 177.794 177.300 -0.131 0.000 1.384 138 P CA 0.294 63.175 63.100 -0.365 0.000 0.879 138 P CB 0.116 31.614 31.700 -0.337 0.000 1.403 139 N N 0.895 119.502 118.700 -0.156 0.000 2.300 139 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 139 N C 0.835 176.367 175.510 0.037 0.000 1.016 139 N CA 0.707 53.766 53.050 0.015 0.000 0.876 139 N CB -0.007 38.546 38.487 0.110 0.000 0.979 139 N HN 0.278 nan 8.380 nan 0.000 0.432 140 H N -4.600 114.528 119.070 0.097 0.000 2.928 140 H HA 0.311 4.867 4.556 -0.000 0.000 0.285 140 H C -0.071 175.395 175.328 0.229 0.000 1.438 140 H CA -0.073 56.044 56.048 0.115 0.000 1.176 140 H CB 0.800 30.608 29.762 0.077 0.000 1.864 140 H HN 0.051 nan 8.280 nan 0.000 0.567 141 T N -1.054 113.755 114.554 0.426 0.000 3.587 141 T HA 0.334 4.684 4.350 -0.000 0.000 0.221 141 T C 0.627 175.537 174.700 0.349 0.000 0.921 141 T CA 0.822 63.139 62.100 0.363 0.000 1.426 141 T CB -0.476 68.590 68.868 0.331 0.000 1.340 141 T HN 0.828 nan 8.240 nan 0.000 0.423 142 S N 0.818 116.584 115.700 0.109 0.000 2.705 142 S HA 0.681 5.151 4.470 -0.000 0.000 0.280 142 S C -3.363 171.039 174.600 -0.329 0.000 1.174 142 S CA -1.590 56.527 58.200 -0.139 0.000 0.823 142 S CB 1.044 64.150 63.200 -0.157 0.000 1.162 142 S HN 0.249 nan 8.310 nan 0.000 0.487 143 P HA 0.521 nan 4.420 nan 0.000 0.271 143 P C -1.085 176.098 177.300 -0.195 0.000 1.226 143 P CA 0.209 63.121 63.100 -0.313 0.000 0.765 143 P CB 0.535 32.038 31.700 -0.328 0.000 0.835 144 A N 2.559 125.334 122.820 -0.075 0.000 2.556 144 A HA 0.714 5.034 4.320 -0.000 0.000 0.294 144 A C -0.903 176.758 177.584 0.129 0.000 1.091 144 A CA -0.550 51.501 52.037 0.023 0.000 0.704 144 A CB 1.587 20.431 19.000 -0.259 0.000 1.300 144 A HN 0.309 nan 8.150 nan 0.000 0.406 145 S N 0.051 115.922 115.700 0.284 0.000 2.707 145 S HA 0.426 4.896 4.470 -0.000 0.000 0.312 145 S C 1.169 175.903 174.600 0.224 0.000 1.116 145 S CA 0.148 58.441 58.200 0.155 0.000 1.078 145 S CB 0.905 64.085 63.200 -0.033 0.000 0.997 145 S HN 1.667 nan 8.310 nan 0.000 0.477 146 S N 2.971 118.850 115.700 0.298 0.000 2.419 146 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 146 S C 1.287 175.905 174.600 0.030 0.000 1.019 146 S CA 1.546 59.818 58.200 0.119 0.000 0.982 146 S CB -0.330 62.822 63.200 -0.081 0.000 0.789 146 S HN 0.876 nan 8.310 nan 0.000 0.490 147 D N -0.413 120.006 120.400 0.031 0.000 2.346 147 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 147 D C 0.863 177.170 176.300 0.011 0.000 1.001 147 D CA 0.247 54.248 54.000 0.002 0.000 0.871 147 D CB -0.223 40.568 40.800 -0.014 0.000 0.943 147 D HN 0.371 nan 8.370 nan 0.000 0.518 148 Q N 1.302 121.121 119.800 0.032 0.000 2.842 148 Q HA 0.231 4.571 4.340 -0.000 0.000 0.323 148 Q C -1.976 174.088 176.000 0.108 0.000 1.111 148 Q CA -2.281 53.551 55.803 0.048 0.000 1.047 148 Q CB 1.313 30.061 28.738 0.016 0.000 1.280 148 Q HN 0.022 nan 8.270 nan 0.000 0.475 149 P HA -0.144 nan 4.420 nan 0.000 0.223 149 P C 0.293 177.634 177.300 0.068 0.000 1.144 149 P CA 1.029 64.171 63.100 0.069 0.000 0.783 149 P CB 0.321 32.040 31.700 0.032 0.000 0.771 150 S N -1.571 114.174 115.700 0.076 0.000 2.607 150 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 150 S C 0.512 175.165 174.600 0.089 0.000 0.969 150 S CA -0.427 57.810 58.200 0.061 0.000 0.927 150 S CB -0.976 62.255 63.200 0.051 0.000 0.772 150 S HN 0.056 nan 8.310 nan 0.000 0.533 151 F N 3.518 123.446 119.950 -0.037 0.000 2.467 151 F HA 0.575 5.102 4.527 -0.000 0.000 0.362 151 F C 0.968 176.720 175.800 -0.079 0.000 1.090 151 F CA -0.519 57.444 58.000 -0.063 0.000 1.202 151 F CB -0.147 38.813 39.000 -0.067 0.000 1.113 151 F HN 0.340 nan 8.300 nan 0.000 0.541 152 A N 4.912 127.227 122.820 -0.841 0.000 5.391 152 A HA -0.340 3.980 4.320 -0.000 0.000 0.315 152 A C 1.033 178.421 177.584 -0.327 0.000 1.874 152 A CA 1.572 53.171 52.037 -0.730 0.000 0.714 152 A CB -1.485 16.853 19.000 -1.103 0.000 1.335 152 A HN 0.800 nan 8.150 nan 0.000 0.382 153 E N 1.053 121.096 120.200 -0.262 0.000 2.569 153 E HA 0.225 4.575 4.350 -0.000 0.000 0.205 153 E C 0.401 176.959 176.600 -0.070 0.000 1.006 153 E CA 0.367 56.715 56.400 -0.088 0.000 0.985 153 E CB -0.063 29.636 29.700 -0.002 0.000 1.060 153 E HN 0.668 nan 8.360 nan 0.000 0.460 154 N N 0.814 119.443 118.700 -0.118 0.000 2.693 154 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 154 N C 0.661 176.109 175.510 -0.103 0.000 1.119 154 N CA 0.408 53.427 53.050 -0.053 0.000 0.717 154 N CB -0.768 37.720 38.487 0.001 0.000 1.071 154 N HN 0.544 nan 8.380 nan 0.000 0.555 155 G N 0.259 108.965 108.800 -0.157 0.000 2.225 155 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 155 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 155 G C 0.146 175.029 174.900 -0.029 0.000 1.024 155 G CA 0.691 45.688 45.100 -0.172 0.000 0.784 155 G HN 0.632 nan 8.290 nan 0.000 0.507 156 R N -1.008 119.509 120.500 0.029 0.000 2.538 156 R HA 0.294 4.634 4.340 -0.000 0.000 0.282 156 R C 0.149 176.517 176.300 0.114 0.000 1.009 156 R CA -0.165 55.967 56.100 0.053 0.000 1.063 156 R CB 0.516 30.827 30.300 0.019 0.000 0.945 156 R HN 0.275 nan 8.270 nan 0.000 0.414 157 L N 4.625 125.863 121.223 0.025 0.000 2.305 157 L HA 0.363 4.703 4.340 -0.000 0.000 0.284 157 L C -1.480 175.278 176.870 -0.187 0.000 1.013 157 L CA -0.466 54.400 54.840 0.044 0.000 0.819 157 L CB 0.885 42.967 42.059 0.039 0.000 1.227 157 L HN 0.388 nan 8.230 nan 0.000 0.417 158 Y N 2.256 122.589 120.300 0.055 0.000 2.487 158 Y HA 0.484 5.034 4.550 -0.000 0.000 0.337 158 Y C -0.238 175.706 175.900 0.073 0.000 1.076 158 Y CA -0.742 57.387 58.100 0.049 0.000 1.115 158 Y CB 1.576 40.092 38.460 0.093 0.000 1.235 158 Y HN 0.537 nan 8.280 nan 0.000 0.468 159 D N 2.355 122.891 120.400 0.227 0.000 2.462 159 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 159 D C -0.435 176.050 176.300 0.309 0.000 1.117 159 D CA -0.385 53.808 54.000 0.322 0.000 0.900 159 D CB -0.257 40.640 40.800 0.161 0.000 1.039 159 D HN 0.615 nan 8.370 nan 0.000 0.516 160 N N 3.232 122.127 118.700 0.326 0.000 2.725 160 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 160 N C 0.976 176.586 175.510 0.167 0.000 1.031 160 N CA 1.902 55.079 53.050 0.212 0.000 0.720 160 N CB -1.103 37.485 38.487 0.169 0.000 0.930 160 N HN 0.799 nan 8.380 nan 0.000 0.543 161 G N -2.424 106.486 108.800 0.182 0.000 2.268 161 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.240 161 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.240 161 G C 0.267 175.320 174.900 0.255 0.000 1.010 161 G CA 0.389 45.570 45.100 0.135 0.000 0.618 161 G HN 0.700 nan 8.290 nan 0.000 0.516 162 T N 2.888 117.594 114.554 0.254 0.000 2.749 162 T HA 0.520 4.870 4.350 -0.000 0.000 0.295 162 T C 0.473 175.287 174.700 0.190 0.000 0.936 162 T CA -0.401 61.823 62.100 0.206 0.000 1.060 162 T CB 1.553 70.492 68.868 0.119 0.000 0.904 162 T HN 0.357 nan 8.240 nan 0.000 0.500 163 L N 5.682 126.972 121.223 0.111 0.000 2.562 163 L HA 0.134 4.474 4.340 -0.000 0.000 0.271 163 L C 0.842 177.599 176.870 -0.188 0.000 1.167 163 L CA 0.214 54.905 54.840 -0.249 0.000 0.917 163 L CB 0.177 42.111 42.059 -0.208 0.000 1.187 163 L HN 0.810 nan 8.230 nan 0.000 0.482 164 L N 4.947 126.017 121.223 -0.255 0.000 2.168 164 L HA 0.248 4.588 4.340 -0.000 0.000 0.203 164 L C 0.956 177.737 176.870 -0.147 0.000 1.078 164 L CA 0.755 55.481 54.840 -0.190 0.000 0.780 164 L CB 0.080 41.979 42.059 -0.266 0.000 0.939 164 L HN 0.813 nan 8.230 nan 0.000 0.451 165 G N -1.712 107.003 108.800 -0.143 0.000 2.325 165 G HA2 0.427 4.387 3.960 -0.000 0.000 0.297 165 G HA3 0.427 4.387 3.960 -0.000 0.000 0.297 165 G C -1.447 173.513 174.900 0.099 0.000 1.448 165 G CA -0.134 44.957 45.100 -0.016 0.000 0.838 165 G HN 0.163 nan 8.290 nan 0.000 0.579 166 G N -1.788 107.097 108.800 0.141 0.000 2.714 166 G HA2 0.513 4.473 3.960 -0.000 0.000 0.292 166 G HA3 0.513 4.473 3.960 -0.000 0.000 0.292 166 G C 0.202 175.134 174.900 0.053 0.000 1.308 166 G CA -0.341 44.815 45.100 0.092 0.000 0.964 166 G HN 0.646 nan 8.290 nan 0.000 0.484 167 Y N 0.366 120.449 120.300 -0.361 0.000 2.242 167 Y HA 0.075 4.625 4.550 -0.000 0.000 0.291 167 Y C 1.930 177.794 175.900 -0.059 0.000 1.137 167 Y CA 1.275 59.115 58.100 -0.433 0.000 1.181 167 Y CB -0.100 38.066 38.460 -0.489 0.000 0.989 167 Y HN 0.309 nan 8.280 nan 0.000 0.527 168 T N 1.875 116.398 114.554 -0.051 0.000 2.884 168 T HA 0.083 4.433 4.350 -0.000 0.000 0.298 168 T C 0.029 174.680 174.700 -0.082 0.000 0.998 168 T CA 0.077 62.127 62.100 -0.084 0.000 1.124 168 T CB 0.311 69.165 68.868 -0.024 0.000 0.931 168 T HN 0.410 nan 8.240 nan 0.000 0.531 169 N N 2.236 120.860 118.700 -0.126 0.000 2.727 169 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 169 N C -0.919 174.542 175.510 -0.082 0.000 1.040 169 N CA 0.321 53.306 53.050 -0.109 0.000 0.712 169 N CB -0.877 37.570 38.487 -0.067 0.000 0.912 169 N HN 0.652 nan 8.380 nan 0.000 0.545 170 D N -0.433 119.901 120.400 -0.109 0.000 2.508 170 D HA 0.190 4.830 4.640 -0.000 0.000 0.224 170 D C 1.406 177.674 176.300 -0.054 0.000 1.171 170 D CA 0.470 54.473 54.000 0.006 0.000 1.006 170 D CB 0.010 40.937 40.800 0.212 0.000 1.073 170 D HN 0.414 nan 8.370 nan 0.000 0.513 171 T N 0.149 114.674 114.554 -0.048 0.000 2.904 171 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 171 T C 1.718 176.395 174.700 -0.038 0.000 1.059 171 T CA 0.795 62.861 62.100 -0.056 0.000 1.137 171 T CB -0.126 68.713 68.868 -0.048 0.000 0.879 171 T HN 0.298 nan 8.240 nan 0.000 0.467 172 Q N 0.926 120.712 119.800 -0.024 0.000 2.172 172 Q HA 0.085 4.425 4.340 -0.000 0.000 0.200 172 Q C 0.231 176.213 176.000 -0.031 0.000 0.964 172 Q CA 0.456 56.239 55.803 -0.033 0.000 0.855 172 Q CB -0.099 28.611 28.738 -0.046 0.000 0.918 172 Q HN 0.615 nan 8.270 nan 0.000 0.444 173 N N -1.140 117.564 118.700 0.006 0.000 2.806 173 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 173 N C -0.147 175.330 175.510 -0.054 0.000 1.081 173 N CA -0.018 53.058 53.050 0.044 0.000 0.680 173 N CB -0.926 37.574 38.487 0.020 0.000 0.941 173 N HN 0.183 nan 8.380 nan 0.000 0.554 174 L N -1.232 119.907 121.223 -0.141 0.000 2.313 174 L HA 0.139 4.479 4.340 -0.000 0.000 0.214 174 L C 0.573 177.011 176.870 -0.721 0.000 1.119 174 L CA 0.811 55.355 54.840 -0.493 0.000 0.809 174 L CB -0.135 41.482 42.059 -0.737 0.000 0.933 174 L HN 0.173 nan 8.230 nan 0.000 0.449 175 F N -2.351 117.542 119.950 -0.095 0.000 2.631 175 F HA 0.389 4.916 4.527 -0.000 0.000 0.350 175 F C 0.342 175.993 175.800 -0.248 0.000 1.080 175 F CA -0.941 56.945 58.000 -0.191 0.000 1.026 175 F CB 0.614 39.608 39.000 -0.011 0.000 1.347 175 F HN -0.247 nan 8.300 nan 0.000 0.501 176 H N -0.396 118.691 119.070 0.029 0.000 2.458 176 H HA 0.333 4.889 4.556 -0.000 0.000 0.330 176 H C -0.719 174.475 175.328 -0.223 0.000 1.111 176 H CA -0.570 55.453 56.048 -0.042 0.000 1.245 176 H CB 0.820 30.589 29.762 0.012 0.000 1.456 176 H HN 0.454 nan 8.280 nan 0.000 0.488 177 H N 3.056 122.259 119.070 0.221 0.000 2.429 177 H HA 0.135 4.691 4.556 -0.000 0.000 0.237 177 H C -0.056 175.294 175.328 0.036 0.000 1.378 177 H CA -0.211 55.894 56.048 0.095 0.000 1.170 177 H CB 0.253 29.990 29.762 -0.041 0.000 1.671 177 H HN 0.671 nan 8.280 nan 0.000 0.541 178 N N 0.771 119.516 118.700 0.075 0.000 2.187 178 N HA 0.142 4.882 4.740 -0.000 0.000 0.212 178 N C 1.151 176.644 175.510 -0.029 0.000 1.152 178 N CA 0.610 53.654 53.050 -0.010 0.000 0.872 178 N CB 2.211 40.648 38.487 -0.084 0.000 1.025 178 N HN 0.654 nan 8.380 nan 0.000 0.514 179 G N -0.189 108.610 108.800 -0.001 0.000 2.548 179 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 179 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 179 G C -0.347 174.505 174.900 -0.078 0.000 1.308 179 G CA -0.549 44.531 45.100 -0.033 0.000 0.924 179 G HN 0.373 nan 8.290 nan 0.000 0.540 180 G N -1.037 107.692 108.800 -0.117 0.000 2.420 180 G HA2 0.713 4.673 3.960 -0.000 0.000 0.331 180 G HA3 0.713 4.673 3.960 -0.000 0.000 0.331 180 G C 0.052 174.796 174.900 -0.260 0.000 1.168 180 G CA 0.946 45.932 45.100 -0.191 0.000 0.936 180 G HN 1.300 nan 8.290 nan 0.000 0.479 181 T N -0.521 113.789 114.554 -0.408 0.000 2.918 181 T HA 0.255 4.605 4.350 -0.000 0.000 0.302 181 T C 0.706 175.050 174.700 -0.592 0.000 1.045 181 T CA 0.106 61.898 62.100 -0.514 0.000 1.114 181 T CB 0.766 69.208 68.868 -0.710 0.000 0.965 181 T HN 0.596 nan 8.240 nan 0.000 0.540 182 D N 2.395 122.552 120.400 -0.405 0.000 2.462 182 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 182 D C 0.533 176.791 176.300 -0.070 0.000 1.173 182 D CA -0.449 53.420 54.000 -0.218 0.000 0.831 182 D CB -0.704 40.043 40.800 -0.089 0.000 1.001 182 D HN 0.583 nan 8.370 nan 0.000 0.499 183 F N 0.544 120.439 119.950 -0.092 0.000 3.079 183 F HA -0.346 4.181 4.527 -0.000 0.000 0.285 183 F C 2.100 177.876 175.800 -0.040 0.000 0.819 183 F CA 0.749 58.709 58.000 -0.066 0.000 1.067 183 F CB -2.544 36.416 39.000 -0.067 0.000 1.263 183 F HN 0.196 nan 8.300 nan 0.000 0.458 184 S N -0.917 114.815 115.700 0.053 0.000 2.359 184 S HA -0.089 4.380 4.470 -0.000 0.000 0.224 184 S C 1.073 175.695 174.600 0.036 0.000 1.035 184 S CA 1.500 59.722 58.200 0.037 0.000 1.018 184 S CB -0.410 62.788 63.200 -0.004 0.000 0.876 184 S HN 0.680 nan 8.310 nan 0.000 0.448 185 T N -3.577 110.981 114.554 0.008 0.000 2.864 185 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 185 T C 0.724 175.424 174.700 -0.001 0.000 1.082 185 T CA -0.198 61.908 62.100 0.010 0.000 1.009 185 T CB 1.226 70.079 68.868 -0.026 0.000 1.234 185 T HN -0.008 nan 8.240 nan 0.000 0.526 186 T N 0.220 114.787 114.554 0.021 0.000 2.777 186 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 186 T C 1.680 176.290 174.700 -0.151 0.000 1.040 186 T CA 1.663 63.768 62.100 0.008 0.000 1.141 186 T CB -0.393 68.584 68.868 0.181 0.000 0.868 186 T HN 0.817 nan 8.240 nan 0.000 0.444 187 E N 1.153 121.170 120.200 -0.305 0.000 2.110 187 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 187 E C 2.269 178.745 176.600 -0.207 0.000 0.988 187 E CA 0.853 56.922 56.400 -0.550 0.000 0.804 187 E CB -0.134 29.055 29.700 -0.851 0.000 0.745 187 E HN 0.344 nan 8.360 nan 0.000 0.458 188 N N 0.272 118.878 118.700 -0.156 0.000 2.120 188 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 188 N C 1.880 177.296 175.510 -0.156 0.000 1.024 188 N CA 1.518 54.492 53.050 -0.128 0.000 0.852 188 N CB -0.309 38.107 38.487 -0.117 0.000 1.003 188 N HN 0.241 nan 8.380 nan 0.000 0.424 189 G N 0.136 108.858 108.800 -0.130 0.000 2.679 189 G HA2 0.011 3.971 3.960 -0.000 0.000 0.212 189 G HA3 0.011 3.971 3.960 -0.000 0.000 0.212 189 G C 1.627 176.514 174.900 -0.023 0.000 1.137 189 G CA 0.025 45.074 45.100 -0.085 0.000 0.787 189 G HN 0.317 nan 8.290 nan 0.000 0.534 190 I N -1.451 119.017 120.570 -0.171 0.000 2.729 190 I HA 0.104 4.274 4.170 -0.000 0.000 0.256 190 I C 1.344 177.180 176.117 -0.469 0.000 1.115 190 I CA 0.417 61.510 61.300 -0.346 0.000 1.446 190 I CB 0.252 37.904 38.000 -0.579 0.000 1.176 190 I HN 0.084 nan 8.210 nan 0.000 0.446 191 Y N 1.428 121.622 120.300 -0.177 0.000 2.468 191 Y HA 0.268 4.818 4.550 -0.000 0.000 0.268 191 Y C 0.495 176.164 175.900 -0.385 0.000 1.177 191 Y CA -0.088 57.794 58.100 -0.363 0.000 1.265 191 Y CB -0.065 38.179 38.460 -0.360 0.000 1.103 191 Y HN -0.066 nan 8.280 nan 0.000 0.522 192 K N 0.080 120.392 120.400 -0.146 0.000 2.400 192 K HA 0.315 4.635 4.320 -0.000 0.000 0.246 192 K C -0.803 175.699 176.600 -0.162 0.000 0.995 192 K CA -1.289 54.912 56.287 -0.143 0.000 0.840 192 K CB 1.132 33.526 32.500 -0.177 0.000 1.293 192 K HN -0.123 nan 8.250 nan 0.000 0.445 193 N N 1.241 119.845 118.700 -0.159 0.000 2.441 193 N HA 0.039 4.779 4.740 -0.000 0.000 0.251 193 N C -0.464 174.833 175.510 -0.354 0.000 1.242 193 N CA 0.055 52.982 53.050 -0.205 0.000 0.898 193 N CB 0.368 38.743 38.487 -0.186 0.000 1.100 193 N HN 0.384 nan 8.380 nan 0.000 0.443 194 L N 4.318 125.310 121.223 -0.385 0.000 2.302 194 L HA 0.118 4.458 4.340 -0.000 0.000 0.285 194 L C -0.269 176.313 176.870 -0.480 0.000 1.090 194 L CA -0.064 54.407 54.840 -0.616 0.000 0.866 194 L CB -0.700 41.046 42.059 -0.522 0.000 1.244 194 L HN 0.573 nan 8.230 nan 0.000 0.435 195 Y N 1.171 121.335 120.300 -0.226 0.000 2.887 195 Y HA -0.412 4.138 4.550 -0.000 0.000 0.467 195 Y C 1.347 177.140 175.900 -0.178 0.000 1.192 195 Y CA 1.096 59.094 58.100 -0.170 0.000 2.535 195 Y CB -1.115 37.262 38.460 -0.139 0.000 1.225 195 Y HN 0.753 nan 8.280 nan 0.000 0.630 196 D N 0.904 121.329 120.400 0.042 0.000 2.398 196 D HA 0.249 4.889 4.640 -0.000 0.000 0.210 196 D C -0.103 176.102 176.300 -0.159 0.000 1.094 196 D CA 0.054 54.019 54.000 -0.059 0.000 0.839 196 D CB -0.543 40.268 40.800 0.018 0.000 0.963 196 D HN 0.412 nan 8.370 nan 0.000 0.506 197 L N 1.350 122.468 121.223 -0.176 0.000 2.477 197 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 197 L C 0.777 177.483 176.870 -0.274 0.000 1.157 197 L CA -0.683 54.004 54.840 -0.256 0.000 0.889 197 L CB 0.398 42.218 42.059 -0.398 0.000 1.158 197 L HN 0.006 nan 8.230 nan 0.000 0.473 198 A N 2.976 125.594 122.820 -0.338 0.000 2.505 198 A HA 0.016 4.336 4.320 -0.000 0.000 0.271 198 A C 0.026 177.603 177.584 -0.012 0.000 1.112 198 A CA -0.244 51.507 52.037 -0.476 0.000 0.781 198 A CB -0.340 18.242 19.000 -0.698 0.000 1.059 198 A HN 0.745 nan 8.150 nan 0.000 0.508 199 D N 2.562 122.960 120.400 -0.004 0.000 2.343 199 D HA 0.357 4.997 4.640 -0.000 0.000 0.255 199 D C 0.078 176.404 176.300 0.045 0.000 1.187 199 D CA 0.201 54.249 54.000 0.080 0.000 0.875 199 D CB 0.338 41.199 40.800 0.102 0.000 1.136 199 D HN 0.482 nan 8.370 nan 0.000 0.469 200 L N 3.412 124.562 121.223 -0.123 0.000 2.439 200 L HA 0.167 4.507 4.340 -0.000 0.000 0.269 200 L C 0.621 176.987 176.870 -0.841 0.000 1.179 200 L CA -0.370 54.170 54.840 -0.499 0.000 0.828 200 L CB 0.479 42.180 42.059 -0.596 0.000 1.106 200 L HN 0.432 nan 8.230 nan 0.000 0.467 201 N N 0.539 118.715 118.700 -0.872 0.000 2.678 201 N HA 0.121 4.861 4.740 -0.000 0.000 0.231 201 N C 0.524 175.636 175.510 -0.663 0.000 1.038 201 N CA -0.273 52.285 53.050 -0.819 0.000 0.932 201 N CB 0.339 38.472 38.487 -0.589 0.000 1.176 201 N HN 0.429 nan 8.380 nan 0.000 0.511 202 H N 1.026 119.797 119.070 -0.499 0.000 2.543 202 H HA -0.044 4.512 4.556 -0.000 0.000 0.286 202 H C 1.136 176.265 175.328 -0.332 0.000 1.037 202 H CA 0.904 56.543 56.048 -0.681 0.000 1.250 202 H CB 0.168 29.096 29.762 -1.390 0.000 1.373 202 H HN 0.552 nan 8.280 nan 0.000 0.580 203 N N 0.599 119.260 118.700 -0.065 0.000 2.461 203 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 203 N C -0.014 175.501 175.510 0.009 0.000 1.134 203 N CA -0.070 53.011 53.050 0.052 0.000 0.878 203 N CB 0.135 38.699 38.487 0.127 0.000 0.972 203 N HN 0.180 nan 8.380 nan 0.000 0.456 204 N N 0.081 118.736 118.700 -0.075 0.000 2.419 204 N HA 0.074 4.814 4.740 -0.000 0.000 0.264 204 N C 0.152 175.644 175.510 -0.029 0.000 1.031 204 N CA 0.094 53.103 53.050 -0.068 0.000 0.951 204 N CB 1.312 39.714 38.487 -0.142 0.000 1.101 204 N HN -0.015 nan 8.380 nan 0.000 0.488 205 S N 2.391 118.101 115.700 0.016 0.000 2.387 205 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 205 S C 1.573 176.206 174.600 0.054 0.000 1.035 205 S CA 1.788 60.021 58.200 0.056 0.000 1.014 205 S CB -0.130 63.103 63.200 0.054 0.000 0.836 205 S HN 0.732 nan 8.310 nan 0.000 0.466 206 T N 1.794 116.354 114.554 0.010 0.000 2.684 206 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 206 T C 1.915 176.632 174.700 0.027 0.000 1.036 206 T CA 1.435 63.539 62.100 0.007 0.000 1.148 206 T CB -0.396 68.441 68.868 -0.052 0.000 0.863 206 T HN 0.213 nan 8.240 nan 0.000 0.436 207 V N 1.611 121.493 119.914 -0.053 0.000 2.307 207 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 207 V C 2.358 178.502 176.094 0.083 0.000 1.045 207 V CA 2.014 64.272 62.300 -0.069 0.000 1.024 207 V CB -0.678 30.964 31.823 -0.303 0.000 0.651 207 V HN 0.507 nan 8.190 nan 0.000 0.449 208 D N 0.316 120.779 120.400 0.105 0.000 2.106 208 D HA -0.182 4.457 4.640 -0.000 0.000 0.191 208 D C 1.974 178.480 176.300 0.343 0.000 0.997 208 D CA 1.953 56.147 54.000 0.323 0.000 0.834 208 D CB -0.173 40.825 40.800 0.331 0.000 0.956 208 D HN 0.192 nan 8.370 nan 0.000 0.448 209 V N -0.248 119.805 119.914 0.232 0.000 2.427 209 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 209 V C 2.124 178.341 176.094 0.205 0.000 1.051 209 V CA 1.772 64.186 62.300 0.190 0.000 1.048 209 V CB -0.880 31.025 31.823 0.138 0.000 0.666 209 V HN 0.353 nan 8.190 nan 0.000 0.456 210 Y N 0.539 120.899 120.300 0.101 0.000 2.181 210 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 210 Y C 2.125 178.113 175.900 0.146 0.000 1.146 210 Y CA 1.646 59.805 58.100 0.099 0.000 1.164 210 Y CB -0.189 38.306 38.460 0.058 0.000 0.982 210 Y HN 0.158 nan 8.280 nan 0.000 0.515 211 L N 0.157 121.451 121.223 0.119 0.000 2.109 211 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 211 L C 2.329 179.388 176.870 0.315 0.000 1.086 211 L CA 1.441 56.355 54.840 0.123 0.000 0.760 211 L CB -0.464 41.760 42.059 0.275 0.000 0.910 211 L HN 0.122 nan 8.230 nan 0.000 0.437 212 K N -0.337 120.258 120.400 0.326 0.000 2.211 212 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 212 K C 1.391 178.003 176.600 0.019 0.000 1.050 212 K CA 1.005 57.404 56.287 0.187 0.000 0.945 212 K CB -0.091 32.483 32.500 0.124 0.000 0.732 212 K HN 0.236 nan 8.250 nan 0.000 0.451 213 D N 0.892 121.297 120.400 0.009 0.000 2.137 213 D HA -0.025 4.614 4.640 -0.000 0.000 0.202 213 D C 1.894 178.159 176.300 -0.059 0.000 0.970 213 D CA 0.973 54.941 54.000 -0.054 0.000 0.837 213 D CB -0.066 40.718 40.800 -0.026 0.000 0.981 213 D HN 0.131 nan 8.370 nan 0.000 0.475 214 A N 0.847 123.634 122.820 -0.055 0.000 1.877 214 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 214 A C 2.211 179.932 177.584 0.229 0.000 1.186 214 A CA 1.017 53.094 52.037 0.067 0.000 0.620 214 A CB -0.740 18.318 19.000 0.097 0.000 0.822 214 A HN 0.214 nan 8.150 nan 0.000 0.443 215 I N -0.155 120.523 120.570 0.181 0.000 2.264 215 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 215 I C 2.088 178.236 176.117 0.052 0.000 1.111 215 I CA 1.756 63.081 61.300 0.043 0.000 1.382 215 I CB -0.330 37.593 38.000 -0.128 0.000 1.060 215 I HN 0.266 nan 8.210 nan 0.000 0.418 216 K N -0.452 119.929 120.400 -0.031 0.000 2.147 216 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 216 K C 2.103 178.706 176.600 0.005 0.000 1.049 216 K CA 1.867 58.131 56.287 -0.039 0.000 0.936 216 K CB -0.341 31.979 32.500 -0.301 0.000 0.722 216 K HN 0.454 nan 8.250 nan 0.000 0.446 217 M N -0.515 119.025 119.600 -0.100 0.000 2.067 217 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 217 M C 1.365 177.478 176.300 -0.311 0.000 1.069 217 M CA 1.805 56.946 55.300 -0.266 0.000 1.117 217 M CB -0.216 32.098 32.600 -0.477 0.000 1.334 217 M HN 0.173 nan 8.290 nan 0.000 0.407 218 W N 0.653 121.957 121.300 0.008 0.000 2.363 218 W HA -0.067 4.593 4.660 0.000 0.000 0.296 218 W C 2.111 178.667 176.519 0.063 0.000 1.212 218 W CA 0.819 58.172 57.345 0.013 0.000 1.260 218 W CB -0.538 28.899 29.460 -0.038 0.000 1.131 218 W HN 0.214 nan 8.180 nan 0.000 0.530 219 L N -0.054 121.309 121.223 0.233 0.000 2.083 219 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 219 L C 1.838 178.800 176.870 0.154 0.000 1.083 219 L CA 1.211 56.163 54.840 0.187 0.000 0.752 219 L CB -0.688 41.492 42.059 0.201 0.000 0.899 219 L HN -0.087 nan 8.230 nan 0.000 0.433 220 D N -0.135 120.349 120.400 0.139 0.000 2.310 220 D HA -0.084 4.556 4.640 -0.000 0.000 0.212 220 D C 2.083 178.428 176.300 0.075 0.000 0.965 220 D CA 0.911 54.968 54.000 0.095 0.000 0.879 220 D CB 0.086 40.934 40.800 0.079 0.000 0.921 220 D HN 0.294 nan 8.370 nan 0.000 0.510 221 L N -0.772 120.513 121.223 0.104 0.000 2.591 221 L HA 0.162 4.502 4.340 -0.000 0.000 0.228 221 L C 1.383 178.367 176.870 0.189 0.000 1.133 221 L CA 0.353 55.287 54.840 0.158 0.000 0.880 221 L CB 0.121 42.319 42.059 0.231 0.000 1.033 221 L HN 0.123 nan 8.230 nan 0.000 0.450 222 G N 0.868 109.768 108.800 0.166 0.000 2.144 222 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 222 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 222 G C 0.449 175.455 174.900 0.176 0.000 0.988 222 G CA 0.102 45.291 45.100 0.148 0.000 0.659 222 G HN 0.405 nan 8.290 nan 0.000 0.522 223 I N -2.199 118.504 120.570 0.221 0.000 2.948 223 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 223 I C 0.629 176.879 176.117 0.222 0.000 1.226 223 I CA 0.296 61.725 61.300 0.216 0.000 1.413 223 I CB 0.504 38.655 38.000 0.252 0.000 1.352 223 I HN -0.063 nan 8.210 nan 0.000 0.597 224 D N 3.108 123.667 120.400 0.265 0.000 2.417 224 D HA 0.264 4.904 4.640 -0.000 0.000 0.207 224 D C 0.628 177.153 176.300 0.375 0.000 1.075 224 D CA 0.389 54.594 54.000 0.342 0.000 0.851 224 D CB 1.221 42.278 40.800 0.428 0.000 0.976 224 D HN 0.855 nan 8.370 nan 0.000 0.505 225 G N 0.370 109.306 108.800 0.226 0.000 2.576 225 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 225 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 225 G C -1.779 173.091 174.900 -0.049 0.000 1.442 225 G CA -0.678 44.464 45.100 0.070 0.000 0.792 225 G HN -0.009 nan 8.290 nan 0.000 0.491 226 I N 0.481 120.925 120.570 -0.211 0.000 2.499 226 I HA 0.479 4.648 4.170 -0.000 0.000 0.288 226 I C -0.059 175.630 176.117 -0.713 0.000 1.048 226 I CA -0.787 60.331 61.300 -0.303 0.000 1.062 226 I CB 2.416 40.312 38.000 -0.175 0.000 1.238 226 I HN 0.311 nan 8.210 nan 0.000 0.426 227 R N 7.297 127.325 120.500 -0.787 0.000 2.215 227 R HA 0.490 4.830 4.340 -0.000 0.000 0.336 227 R C -1.030 175.015 176.300 -0.426 0.000 0.996 227 R CA -0.661 54.740 56.100 -1.166 0.000 0.847 227 R CB 0.953 30.407 30.300 -1.409 0.000 1.127 227 R HN 0.573 nan 8.270 nan 0.000 0.465 228 M N 3.489 122.909 119.600 -0.299 0.000 2.120 228 M HA 0.086 4.566 4.480 -0.000 0.000 0.354 228 M C -0.289 176.033 176.300 0.037 0.000 1.287 228 M CA -0.315 54.974 55.300 -0.019 0.000 1.103 228 M CB 0.938 33.566 32.600 0.047 0.000 1.623 228 M HN 0.532 nan 8.290 nan 0.000 0.471 229 D N 2.708 123.168 120.400 0.100 0.000 2.302 229 D HA 0.439 5.079 4.640 -0.000 0.000 0.248 229 D C 0.331 176.690 176.300 0.098 0.000 1.094 229 D CA 0.218 54.299 54.000 0.134 0.000 0.897 229 D CB 0.827 41.742 40.800 0.191 0.000 1.200 229 D HN 0.844 nan 8.370 nan 0.000 0.429 230 A N 2.586 125.472 122.820 0.110 0.000 2.610 230 A HA -0.170 4.150 4.320 -0.000 0.000 0.299 230 A C 1.423 179.007 177.584 0.001 0.000 1.487 230 A CA 0.888 52.998 52.037 0.122 0.000 0.743 230 A CB -2.362 16.779 19.000 0.235 0.000 1.070 230 A HN 1.117 nan 8.150 nan 0.000 0.439 231 V N -1.530 118.337 119.914 -0.079 0.000 2.759 231 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 231 V C 1.895 177.754 176.094 -0.391 0.000 1.080 231 V CA 2.390 64.596 62.300 -0.157 0.000 1.101 231 V CB -0.533 31.208 31.823 -0.138 0.000 0.698 231 V HN 0.685 nan 8.190 nan 0.000 0.477 232 K N -0.617 119.329 120.400 -0.757 0.000 2.439 232 K HA -0.101 4.219 4.320 -0.000 0.000 0.197 232 K C 1.341 177.420 176.600 -0.868 0.000 1.041 232 K CA 0.973 56.501 56.287 -1.266 0.000 0.970 232 K CB -0.129 31.230 32.500 -1.902 0.000 0.773 232 K HN 0.696 nan 8.250 nan 0.000 0.479 233 H N -0.811 118.110 119.070 -0.247 0.000 2.542 233 H HA 0.255 4.811 4.556 -0.000 0.000 0.283 233 H C -0.034 175.189 175.328 -0.174 0.000 1.059 233 H CA 0.057 55.988 56.048 -0.196 0.000 1.162 233 H CB 0.242 29.920 29.762 -0.139 0.000 1.539 233 H HN 0.115 nan 8.280 nan 0.000 0.543 234 M N 0.598 120.152 119.600 -0.075 0.000 2.644 234 M HA 0.383 4.863 4.480 -0.000 0.000 0.304 234 M C -2.653 173.574 176.300 -0.121 0.000 1.215 234 M CA -1.967 53.280 55.300 -0.087 0.000 0.871 234 M CB 2.824 35.394 32.600 -0.051 0.000 1.740 234 M HN -0.231 nan 8.290 nan 0.000 0.464 235 P HA 0.070 nan 4.420 nan 0.000 0.268 235 P C -0.191 177.202 177.300 0.155 0.000 1.204 235 P CA -0.064 62.959 63.100 -0.128 0.000 0.768 235 P CB 0.212 31.955 31.700 0.072 0.000 0.842 236 F N 1.821 121.905 119.950 0.225 0.000 2.186 236 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 236 F C 2.485 178.414 175.800 0.216 0.000 1.090 236 F CA 1.508 59.719 58.000 0.350 0.000 1.307 236 F CB -2.186 37.097 39.000 0.471 0.000 1.019 236 F HN 0.361 nan 8.300 nan 0.000 0.489 237 G N -1.005 107.948 108.800 0.254 0.000 2.418 237 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 237 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 237 G C 1.569 176.580 174.900 0.185 0.000 1.158 237 G CA 0.632 45.840 45.100 0.180 0.000 0.771 237 G HN 0.463 nan 8.290 nan 0.000 0.545 238 W N 1.459 122.820 121.300 0.101 0.000 2.358 238 W HA -0.090 4.570 4.660 -0.000 0.000 0.303 238 W C 2.851 179.443 176.519 0.122 0.000 1.208 238 W CA 1.774 59.175 57.345 0.092 0.000 1.274 238 W CB -0.156 29.322 29.460 0.029 0.000 1.138 238 W HN 0.298 nan 8.180 nan 0.000 0.515 239 Q N 0.116 119.969 119.800 0.090 0.000 2.124 239 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 239 Q C 2.191 178.159 176.000 -0.054 0.000 0.977 239 Q CA 1.905 57.707 55.803 -0.000 0.000 0.850 239 Q CB -0.521 28.440 28.738 0.373 0.000 0.901 239 Q HN 0.367 nan 8.270 nan 0.000 0.429 240 K N 0.894 121.285 120.400 -0.014 0.000 2.057 240 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 240 K C 2.314 178.843 176.600 -0.117 0.000 1.049 240 K CA 1.589 57.836 56.287 -0.065 0.000 0.931 240 K CB -0.118 32.365 32.500 -0.029 0.000 0.714 240 K HN 0.172 nan 8.250 nan 0.000 0.440 241 S N -0.118 115.483 115.700 -0.165 0.000 2.402 241 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 241 S C 1.878 176.311 174.600 -0.280 0.000 1.021 241 S CA 0.756 58.841 58.200 -0.191 0.000 0.974 241 S CB -0.560 62.546 63.200 -0.157 0.000 0.800 241 S HN 0.457 nan 8.310 nan 0.000 0.484 242 F N 1.624 121.195 119.950 -0.633 0.000 2.163 242 F HA 0.182 4.709 4.527 -0.000 0.000 0.297 242 F C 2.348 177.969 175.800 -0.299 0.000 1.094 242 F CA 1.333 58.974 58.000 -0.597 0.000 1.290 242 F CB -0.261 38.166 39.000 -0.956 0.000 1.017 242 F HN 0.142 nan 8.300 nan 0.000 0.483 243 M N 0.133 119.624 119.600 -0.181 0.000 2.296 243 M HA -0.062 4.418 4.480 -0.000 0.000 0.265 243 M C 2.362 178.542 176.300 -0.199 0.000 1.064 243 M CA 1.382 56.572 55.300 -0.184 0.000 1.109 243 M CB -1.440 31.110 32.600 -0.082 0.000 1.396 243 M HN 0.327 nan 8.290 nan 0.000 0.430 244 A N -0.447 122.267 122.820 -0.177 0.000 2.014 244 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 244 A C 2.322 179.821 177.584 -0.142 0.000 1.163 244 A CA 1.546 53.505 52.037 -0.130 0.000 0.652 244 A CB -0.615 18.327 19.000 -0.097 0.000 0.808 244 A HN 0.464 nan 8.150 nan 0.000 0.449 245 A N -0.497 122.187 122.820 -0.227 0.000 1.898 245 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 245 A C 2.206 179.669 177.584 -0.202 0.000 1.181 245 A CA 1.665 53.565 52.037 -0.228 0.000 0.620 245 A CB -0.762 18.046 19.000 -0.321 0.000 0.819 245 A HN 0.309 nan 8.150 nan 0.000 0.442 246 V N 0.934 120.666 119.914 -0.303 0.000 2.244 246 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 246 V C 2.273 178.335 176.094 -0.053 0.000 1.042 246 V CA 2.147 64.334 62.300 -0.189 0.000 1.006 246 V CB -1.033 30.620 31.823 -0.282 0.000 0.641 246 V HN 0.531 nan 8.190 nan 0.000 0.446 247 N N 1.093 119.750 118.700 -0.071 0.000 2.149 247 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 247 N C 1.431 176.946 175.510 0.008 0.000 1.019 247 N CA 1.328 54.368 53.050 -0.017 0.000 0.857 247 N CB -0.589 37.886 38.487 -0.020 0.000 0.997 247 N HN 0.443 nan 8.380 nan 0.000 0.426 248 N N -0.604 118.100 118.700 0.007 0.000 2.461 248 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 248 N C 0.734 176.302 175.510 0.098 0.000 1.134 248 N CA 0.199 53.269 53.050 0.033 0.000 0.878 248 N CB 0.170 38.664 38.487 0.012 0.000 0.972 248 N HN 0.393 nan 8.380 nan 0.000 0.456 249 Y N 0.489 120.754 120.300 -0.058 0.000 2.808 249 Y HA 0.358 4.908 4.550 -0.000 0.000 0.244 249 Y C -0.393 175.488 175.900 -0.032 0.000 1.033 249 Y CA 0.480 58.551 58.100 -0.049 0.000 1.415 249 Y CB 0.668 39.085 38.460 -0.071 0.000 1.420 249 Y HN -0.317 nan 8.280 nan 0.000 0.484 250 K N 2.164 122.475 120.400 -0.149 0.000 2.803 250 K HA 0.296 4.616 4.320 -0.000 0.000 0.229 250 K C -2.913 173.665 176.600 -0.038 0.000 1.084 250 K CA -2.131 54.039 56.287 -0.195 0.000 1.063 250 K CB 1.639 33.956 32.500 -0.304 0.000 1.254 250 K HN 0.020 nan 8.250 nan 0.000 0.551 251 P HA -0.022 nan 4.420 nan 0.000 0.265 251 P C -0.454 176.889 177.300 0.072 0.000 1.193 251 P CA -0.207 62.913 63.100 0.034 0.000 0.765 251 P CB 0.898 32.632 31.700 0.057 0.000 0.823 252 V N 0.306 120.276 119.914 0.092 0.000 3.087 252 V HA 0.485 4.605 4.120 -0.000 0.000 0.306 252 V C -0.621 175.586 176.094 0.189 0.000 1.187 252 V CA -1.366 61.031 62.300 0.160 0.000 0.999 252 V CB 1.775 33.676 31.823 0.130 0.000 1.049 252 V HN 0.305 nan 8.190 nan 0.000 0.431 253 F N 2.592 122.600 119.950 0.097 0.000 2.557 253 F HA 0.562 5.089 4.527 -0.000 0.000 0.384 253 F C 0.488 176.268 175.800 -0.032 0.000 1.057 253 F CA 0.807 58.832 58.000 0.043 0.000 1.169 253 F CB 0.153 39.119 39.000 -0.057 0.000 1.070 253 F HN 0.767 nan 8.300 nan 0.000 0.554 254 T N 8.247 122.538 114.554 -0.438 0.000 2.829 254 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 254 T C -1.137 173.284 174.700 -0.465 0.000 0.999 254 T CA -0.282 61.570 62.100 -0.414 0.000 0.983 254 T CB 0.877 69.635 68.868 -0.183 0.000 0.968 254 T HN 0.390 nan 8.240 nan 0.000 0.446 255 F N -0.369 119.301 119.950 -0.467 0.000 2.581 255 F HA 0.851 5.378 4.527 -0.000 0.000 0.311 255 F C -0.055 175.666 175.800 -0.132 0.000 1.113 255 F CA -1.279 56.524 58.000 -0.328 0.000 0.935 255 F CB 0.999 39.751 39.000 -0.414 0.000 1.232 255 F HN 0.702 nan 8.300 nan 0.000 0.445 256 G N 0.905 109.788 108.800 0.139 0.000 2.509 256 G HA2 0.473 4.433 3.960 -0.000 0.000 0.328 256 G HA3 0.473 4.433 3.960 -0.000 0.000 0.328 256 G C -1.775 173.275 174.900 0.250 0.000 1.194 256 G CA -0.841 44.343 45.100 0.140 0.000 0.967 256 G HN 0.880 nan 8.290 nan 0.000 0.488 257 E N 0.375 120.706 120.200 0.218 0.000 2.115 257 E HA 0.159 4.509 4.350 -0.000 0.000 0.282 257 E C -1.333 175.409 176.600 0.236 0.000 0.987 257 E CA -0.766 55.824 56.400 0.317 0.000 0.797 257 E CB 0.942 30.820 29.700 0.298 0.000 1.086 257 E HN 0.458 nan 8.360 nan 0.000 0.397 258 W N 8.231 129.565 121.300 0.056 0.000 2.516 258 W HA 0.233 4.893 4.660 -0.000 0.000 0.293 258 W C -1.665 174.642 176.519 -0.354 0.000 1.006 258 W CA -1.472 55.800 57.345 -0.121 0.000 1.483 258 W CB 0.140 29.533 29.460 -0.113 0.000 1.316 258 W HN 0.462 nan 8.180 nan 0.000 0.411 259 F N 5.589 125.271 119.950 -0.447 0.000 2.608 259 F HA 0.226 4.753 4.527 -0.000 0.000 0.380 259 F C -0.446 175.138 175.800 -0.361 0.000 1.083 259 F CA 0.856 58.302 58.000 -0.923 0.000 1.266 259 F CB 0.564 39.216 39.000 -0.579 0.000 1.076 259 F HN 0.159 nan 8.300 nan 0.000 0.574 260 L N 5.738 126.467 121.223 -0.823 0.000 2.365 260 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 260 L C 0.523 177.269 176.870 -0.207 0.000 1.000 260 L CA -0.845 53.914 54.840 -0.135 0.000 0.819 260 L CB 1.755 43.850 42.059 0.060 0.000 1.284 260 L HN 0.757 nan 8.230 nan 0.000 0.418 261 G N 1.351 110.245 108.800 0.156 0.000 2.543 261 G HA2 0.454 4.414 3.960 -0.000 0.000 0.290 261 G HA3 0.454 4.414 3.960 -0.000 0.000 0.290 261 G C -0.312 174.668 174.900 0.133 0.000 1.310 261 G CA -0.546 44.703 45.100 0.248 0.000 1.025 261 G HN 0.289 nan 8.290 nan 0.000 0.502 262 V N 1.801 121.794 119.914 0.132 0.000 2.540 262 V HA 0.043 4.163 4.120 -0.000 0.000 0.297 262 V C 0.820 176.958 176.094 0.073 0.000 1.024 262 V CA 0.218 62.570 62.300 0.088 0.000 1.105 262 V CB 0.647 32.515 31.823 0.075 0.000 0.938 262 V HN 0.893 nan 8.190 nan 0.000 0.482 263 N N 1.749 120.485 118.700 0.060 0.000 2.800 263 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 263 N C 0.313 175.859 175.510 0.060 0.000 1.078 263 N CA 1.405 54.486 53.050 0.052 0.000 0.804 263 N CB -0.504 38.008 38.487 0.041 0.000 1.135 263 N HN 0.952 nan 8.380 nan 0.000 0.565 264 E N 0.680 120.925 120.200 0.075 0.000 2.227 264 E HA 0.433 4.783 4.350 -0.000 0.000 0.282 264 E C -0.823 175.818 176.600 0.069 0.000 1.015 264 E CA -0.424 56.022 56.400 0.076 0.000 0.823 264 E CB 1.126 30.886 29.700 0.100 0.000 1.081 264 E HN -0.016 nan 8.360 nan 0.000 0.396 265 V N 3.779 123.718 119.914 0.043 0.000 2.447 265 V HA 0.196 4.316 4.120 -0.000 0.000 0.292 265 V C -0.418 175.620 176.094 -0.093 0.000 1.021 265 V CA -0.688 61.622 62.300 0.016 0.000 0.850 265 V CB 1.564 33.424 31.823 0.061 0.000 1.005 265 V HN 0.598 nan 8.190 nan 0.000 0.426 266 S N 6.162 121.713 115.700 -0.249 0.000 2.437 266 S HA 0.566 5.036 4.470 -0.000 0.000 0.305 266 S C -1.783 172.381 174.600 -0.727 0.000 1.109 266 S CA -1.542 56.463 58.200 -0.326 0.000 1.099 266 S CB 2.019 65.112 63.200 -0.178 0.000 1.004 266 S HN 0.499 nan 8.310 nan 0.000 0.475 267 P HA 0.057 nan 4.420 nan 0.000 0.222 267 P C 0.887 178.035 177.300 -0.253 0.000 1.153 267 P CA 0.696 63.583 63.100 -0.354 0.000 0.798 267 P CB 0.227 31.873 31.700 -0.090 0.000 0.796 268 E N -0.498 119.599 120.200 -0.172 0.000 2.106 268 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 268 E C 1.947 178.271 176.600 -0.460 0.000 0.984 268 E CA 1.018 57.377 56.400 -0.068 0.000 0.806 268 E CB -0.439 29.407 29.700 0.243 0.000 0.750 268 E HN 0.234 nan 8.360 nan 0.000 0.458 269 N N -0.255 117.925 118.700 -0.867 0.000 2.120 269 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 269 N C 1.632 176.861 175.510 -0.469 0.000 1.024 269 N CA 1.423 53.682 53.050 -1.318 0.000 0.852 269 N CB 0.013 37.771 38.487 -1.214 0.000 1.003 269 N HN 0.269 nan 8.380 nan 0.000 0.424 270 H N -0.444 118.431 119.070 -0.324 0.000 2.326 270 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 270 H C 1.973 177.232 175.328 -0.114 0.000 1.081 270 H CA 0.875 56.773 56.048 -0.250 0.000 1.334 270 H CB 0.051 29.611 29.762 -0.336 0.000 1.385 270 H HN 0.141 nan 8.280 nan 0.000 0.504 271 K N 0.668 121.075 120.400 0.012 0.000 2.063 271 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 271 K C 2.032 178.642 176.600 0.017 0.000 1.048 271 K CA 1.253 57.555 56.287 0.026 0.000 0.928 271 K CB -0.221 32.309 32.500 0.050 0.000 0.713 271 K HN 0.160 nan 8.250 nan 0.000 0.442 272 F N 1.230 121.072 119.950 -0.180 0.000 2.095 272 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 272 F C 2.100 177.867 175.800 -0.055 0.000 1.104 272 F CA 1.762 59.654 58.000 -0.180 0.000 1.232 272 F CB -0.367 38.433 39.000 -0.333 0.000 0.987 272 F HN 0.047 nan 8.300 nan 0.000 0.475 273 A N 0.120 123.023 122.820 0.138 0.000 1.972 273 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 273 A C 1.897 179.506 177.584 0.042 0.000 1.169 273 A CA 1.899 54.019 52.037 0.139 0.000 0.635 273 A CB -0.758 18.437 19.000 0.325 0.000 0.810 273 A HN 0.522 nan 8.150 nan 0.000 0.446 274 N N -0.521 118.200 118.700 0.036 0.000 2.416 274 N HA -0.008 4.732 4.740 -0.000 0.000 0.177 274 N C 1.104 176.584 175.510 -0.049 0.000 1.036 274 N CA 1.152 54.208 53.050 0.009 0.000 0.901 274 N CB 0.054 38.553 38.487 0.019 0.000 0.976 274 N HN 0.710 nan 8.380 nan 0.000 0.444 275 E N -0.888 119.250 120.200 -0.103 0.000 2.508 275 E HA 0.082 4.432 4.350 -0.000 0.000 0.217 275 E C 1.313 177.797 176.600 -0.192 0.000 0.896 275 E CA 0.035 56.366 56.400 -0.116 0.000 1.118 275 E CB 0.362 30.027 29.700 -0.057 0.000 1.133 275 E HN 0.195 nan 8.360 nan 0.000 0.526 276 S N -0.148 115.328 115.700 -0.374 0.000 2.453 276 S HA 0.066 4.536 4.470 -0.000 0.000 0.231 276 S C 1.777 176.203 174.600 -0.289 0.000 1.005 276 S CA 0.956 58.869 58.200 -0.478 0.000 0.949 276 S CB 0.197 62.670 63.200 -1.212 0.000 0.774 276 S HN 0.353 nan 8.310 nan 0.000 0.510 277 G N 1.101 109.768 108.800 -0.222 0.000 2.213 277 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.226 277 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.226 277 G C -0.023 174.814 174.900 -0.106 0.000 0.992 277 G CA 0.124 45.140 45.100 -0.141 0.000 0.632 277 G HN 0.942 nan 8.290 nan 0.000 0.511 278 M N 0.538 120.056 119.600 -0.138 0.000 2.662 278 M HA 0.840 5.320 4.480 -0.000 0.000 0.310 278 M C 0.365 176.655 176.300 -0.017 0.000 1.204 278 M CA -0.199 55.059 55.300 -0.069 0.000 0.891 278 M CB 2.138 34.730 32.600 -0.013 0.000 1.732 278 M HN 0.564 nan 8.290 nan 0.000 0.467 279 S N 1.820 117.518 115.700 -0.002 0.000 2.719 279 S HA 0.863 5.333 4.470 -0.000 0.000 0.285 279 S C -0.402 174.279 174.600 0.136 0.000 1.137 279 S CA -0.875 57.355 58.200 0.050 0.000 1.012 279 S CB 1.073 64.292 63.200 0.031 0.000 1.134 279 S HN 0.771 nan 8.310 nan 0.000 0.544 280 L N -0.432 120.857 121.223 0.111 0.000 2.303 280 L HA 0.523 4.863 4.340 -0.000 0.000 0.256 280 L C -0.945 176.030 176.870 0.176 0.000 1.034 280 L CA -1.103 53.861 54.840 0.207 0.000 0.832 280 L CB 1.486 43.686 42.059 0.236 0.000 1.403 280 L HN 0.555 nan 8.230 nan 0.000 0.419 281 L N 1.294 122.711 121.223 0.323 0.000 2.410 281 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 281 L C 0.145 177.245 176.870 0.382 0.000 1.144 281 L CA 0.049 55.091 54.840 0.338 0.000 0.863 281 L CB 0.245 42.546 42.059 0.403 0.000 1.140 281 L HN 0.459 nan 8.230 nan 0.000 0.463 282 D N 3.320 123.849 120.400 0.216 0.000 2.541 282 D HA -0.020 4.620 4.640 -0.000 0.000 0.231 282 D C 0.939 177.261 176.300 0.036 0.000 1.163 282 D CA 0.285 54.337 54.000 0.086 0.000 1.077 282 D CB 0.162 40.908 40.800 -0.090 0.000 1.110 282 D HN 0.304 nan 8.370 nan 0.000 0.499 283 F N 1.107 121.155 119.950 0.164 0.000 2.234 283 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 283 F C 2.529 178.328 175.800 -0.002 0.000 1.087 283 F CA 0.599 58.635 58.000 0.060 0.000 1.340 283 F CB 0.094 39.108 39.000 0.024 0.000 1.031 283 F HN 0.236 nan 8.300 nan 0.000 0.500 284 R N -0.554 120.090 120.500 0.239 0.000 2.073 284 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 284 R C 2.314 178.694 176.300 0.133 0.000 1.134 284 R CA 1.791 58.005 56.100 0.192 0.000 0.952 284 R CB -0.983 29.477 30.300 0.267 0.000 0.850 284 R HN 0.299 nan 8.270 nan 0.000 0.433 285 F N 1.064 120.999 119.950 -0.026 0.000 2.046 285 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 285 F C 2.310 178.024 175.800 -0.144 0.000 1.123 285 F CA 1.800 59.762 58.000 -0.064 0.000 1.199 285 F CB -0.530 38.405 39.000 -0.108 0.000 0.972 285 F HN 0.060 nan 8.300 nan 0.000 0.474 286 A N 0.173 122.929 122.820 -0.106 0.000 1.873 286 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 286 A C 2.139 179.643 177.584 -0.134 0.000 1.193 286 A CA 1.949 53.787 52.037 -0.331 0.000 0.629 286 A CB -0.982 17.377 19.000 -1.068 0.000 0.826 286 A HN 0.560 nan 8.150 nan 0.000 0.447 287 Q N -0.578 119.180 119.800 -0.070 0.000 2.096 287 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 287 Q C 2.077 178.069 176.000 -0.013 0.000 0.982 287 Q CA 1.948 57.755 55.803 0.006 0.000 0.850 287 Q CB -0.443 28.322 28.738 0.046 0.000 0.901 287 Q HN 0.619 nan 8.270 nan 0.000 0.422 288 K N 0.710 121.077 120.400 -0.055 0.000 2.097 288 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 288 K C 1.998 178.531 176.600 -0.111 0.000 1.050 288 K CA 0.756 56.990 56.287 -0.087 0.000 0.938 288 K CB -0.390 32.043 32.500 -0.111 0.000 0.718 288 K HN 0.009 nan 8.250 nan 0.000 0.442 289 V N 0.991 120.818 119.914 -0.145 0.000 2.407 289 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 289 V C 2.285 178.513 176.094 0.222 0.000 1.055 289 V CA 1.998 64.291 62.300 -0.012 0.000 1.049 289 V CB -0.420 31.346 31.823 -0.094 0.000 0.662 289 V HN 0.309 nan 8.190 nan 0.000 0.455 290 R N -0.432 120.175 120.500 0.178 0.000 2.075 290 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 290 R C 2.422 178.753 176.300 0.051 0.000 1.126 290 R CA 1.448 57.658 56.100 0.183 0.000 0.963 290 R CB -0.355 30.011 30.300 0.110 0.000 0.858 290 R HN 0.585 nan 8.270 nan 0.000 0.435 291 Q N 0.131 119.936 119.800 0.010 0.000 2.096 291 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 291 Q C 2.196 178.156 176.000 -0.067 0.000 0.982 291 Q CA 1.681 57.466 55.803 -0.031 0.000 0.850 291 Q CB -0.002 28.715 28.738 -0.036 0.000 0.901 291 Q HN 0.201 nan 8.270 nan 0.000 0.422 292 V N -0.606 119.242 119.914 -0.110 0.000 2.407 292 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 292 V C 1.523 177.420 176.094 -0.328 0.000 1.041 292 V CA 1.582 63.712 62.300 -0.284 0.000 1.040 292 V CB -0.323 31.204 31.823 -0.493 0.000 0.671 292 V HN 0.240 nan 8.190 nan 0.000 0.455 293 F N -0.840 119.112 119.950 0.004 0.000 2.678 293 F HA 0.260 4.787 4.527 -0.000 0.000 0.291 293 F C 2.346 178.222 175.800 0.126 0.000 1.123 293 F CA 0.543 58.606 58.000 0.104 0.000 1.395 293 F CB 0.046 39.169 39.000 0.205 0.000 1.121 293 F HN -0.111 nan 8.300 nan 0.000 0.592 294 R N 0.187 120.772 120.500 0.141 0.000 2.084 294 R HA 0.032 4.372 4.340 -0.000 0.000 0.209 294 R C 0.915 177.127 176.300 -0.146 0.000 1.173 294 R CA 1.016 56.984 56.100 -0.219 0.000 1.053 294 R CB 0.036 29.873 30.300 -0.772 0.000 0.948 294 R HN 0.017 nan 8.270 nan 0.000 0.460 295 D N 0.491 120.826 120.400 -0.109 0.000 2.349 295 D HA 0.046 4.686 4.640 -0.000 0.000 0.214 295 D C -0.485 175.783 176.300 -0.054 0.000 1.063 295 D CA 0.169 54.121 54.000 -0.079 0.000 0.847 295 D CB 0.044 40.804 40.800 -0.067 0.000 0.933 295 D HN 0.274 nan 8.370 nan 0.000 0.513 296 N N 0.203 118.870 118.700 -0.054 0.000 2.716 296 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 296 N C 0.285 175.767 175.510 -0.047 0.000 1.033 296 N CA 1.017 54.033 53.050 -0.056 0.000 0.727 296 N CB -1.601 36.861 38.487 -0.042 0.000 0.950 296 N HN 0.249 nan 8.380 nan 0.000 0.541 297 T N -4.872 109.655 114.554 -0.046 0.000 3.134 297 T HA 0.266 4.616 4.350 -0.000 0.000 0.260 297 T C -0.026 174.654 174.700 -0.034 0.000 1.027 297 T CA -0.162 61.918 62.100 -0.033 0.000 0.913 297 T CB 0.704 69.558 68.868 -0.023 0.000 1.046 297 T HN 0.262 nan 8.240 nan 0.000 0.553 298 D N 0.764 121.133 120.400 -0.052 0.000 2.694 298 D HA 0.338 4.978 4.640 -0.000 0.000 0.260 298 D C -1.476 174.774 176.300 -0.084 0.000 1.250 298 D CA -0.484 53.485 54.000 -0.051 0.000 0.763 298 D CB 1.759 42.529 40.800 -0.050 0.000 1.311 298 D HN 0.315 nan 8.370 nan 0.000 0.420 299 N N -0.098 118.567 118.700 -0.060 0.000 3.002 299 N HA 0.287 5.027 4.740 -0.000 0.000 0.331 299 N C 0.991 176.423 175.510 -0.130 0.000 1.384 299 N CA -0.504 52.493 53.050 -0.089 0.000 0.780 299 N CB 0.175 38.667 38.487 0.007 0.000 1.492 299 N HN 0.191 nan 8.380 nan 0.000 0.608 300 M N -0.850 118.635 119.600 -0.192 0.000 2.260 300 M HA -0.091 4.389 4.480 -0.000 0.000 0.261 300 M C 1.094 177.233 176.300 -0.268 0.000 1.066 300 M CA 1.593 56.725 55.300 -0.281 0.000 1.082 300 M CB -1.392 31.018 32.600 -0.317 0.000 1.388 300 M HN 0.538 nan 8.290 nan 0.000 0.419 301 Y N -0.277 119.988 120.300 -0.059 0.000 2.373 301 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 301 Y C 2.573 178.447 175.900 -0.043 0.000 1.129 301 Y CA 1.204 59.280 58.100 -0.040 0.000 1.226 301 Y CB -1.065 37.372 38.460 -0.038 0.000 1.000 301 Y HN 0.301 nan 8.280 nan 0.000 0.549 302 G N -0.563 108.275 108.800 0.063 0.000 2.408 302 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.215 302 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.215 302 G C 1.554 176.434 174.900 -0.033 0.000 1.156 302 G CA 0.537 45.644 45.100 0.011 0.000 0.793 302 G HN 0.289 nan 8.290 nan 0.000 0.535 303 L N 0.835 122.001 121.223 -0.093 0.000 2.056 303 L HA 0.124 4.464 4.340 -0.000 0.000 0.207 303 L C 2.701 179.552 176.870 -0.032 0.000 1.078 303 L CA 2.131 56.901 54.840 -0.117 0.000 0.749 303 L CB -0.400 41.518 42.059 -0.235 0.000 0.901 303 L HN 0.283 nan 8.230 nan 0.000 0.433 304 K N -0.696 119.691 120.400 -0.021 0.000 2.057 304 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 304 K C 1.984 178.608 176.600 0.041 0.000 1.049 304 K CA 1.372 57.672 56.287 0.021 0.000 0.931 304 K CB -0.232 32.279 32.500 0.018 0.000 0.714 304 K HN 0.339 nan 8.250 nan 0.000 0.440 305 A N 1.911 124.757 122.820 0.044 0.000 1.908 305 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 305 A C 2.211 179.820 177.584 0.042 0.000 1.181 305 A CA 1.714 53.778 52.037 0.046 0.000 0.627 305 A CB -0.656 18.372 19.000 0.045 0.000 0.818 305 A HN 0.523 nan 8.150 nan 0.000 0.445 306 M N -0.165 119.457 119.600 0.037 0.000 2.108 306 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 306 M C 1.998 178.348 176.300 0.084 0.000 1.066 306 M CA 1.750 57.083 55.300 0.054 0.000 1.107 306 M CB -0.825 31.791 32.600 0.027 0.000 1.356 306 M HN 0.442 nan 8.290 nan 0.000 0.406 307 L N 0.228 121.499 121.223 0.079 0.000 2.017 307 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 307 L C 2.462 179.378 176.870 0.075 0.000 1.073 307 L CA 1.570 56.467 54.840 0.094 0.000 0.745 307 L CB -0.829 41.272 42.059 0.071 0.000 0.894 307 L HN 0.349 nan 8.230 nan 0.000 0.432 308 E N -0.006 120.228 120.200 0.058 0.000 2.152 308 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 308 E C 2.188 178.806 176.600 0.030 0.000 0.983 308 E CA 1.136 57.563 56.400 0.045 0.000 0.818 308 E CB -0.283 29.442 29.700 0.042 0.000 0.758 308 E HN 0.560 nan 8.360 nan 0.000 0.467 309 G N 2.369 111.186 108.800 0.029 0.000 2.434 309 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.214 309 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.214 309 G C 1.878 176.758 174.900 -0.033 0.000 1.202 309 G CA 1.451 46.550 45.100 -0.003 0.000 0.788 309 G HN 0.394 nan 8.290 nan 0.000 0.539 310 S N 1.644 117.366 115.700 0.036 0.000 2.374 310 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 310 S C 2.597 177.263 174.600 0.109 0.000 1.037 310 S CA 1.804 60.071 58.200 0.111 0.000 1.024 310 S CB -0.743 62.625 63.200 0.279 0.000 0.861 310 S HN 0.692 nan 8.310 nan 0.000 0.456 311 A N 1.673 124.543 122.820 0.083 0.000 2.024 311 A HA 0.291 4.611 4.320 -0.000 0.000 0.220 311 A C 2.399 179.992 177.584 0.015 0.000 1.164 311 A CA 1.748 53.823 52.037 0.064 0.000 0.643 311 A CB -1.147 17.886 19.000 0.055 0.000 0.806 311 A HN 0.889 nan 8.150 nan 0.000 0.451 312 A N -0.638 122.163 122.820 -0.031 0.000 1.943 312 A HA 0.048 4.368 4.320 -0.000 0.000 0.213 312 A C 1.690 179.189 177.584 -0.141 0.000 1.181 312 A CA 1.297 53.295 52.037 -0.064 0.000 0.653 312 A CB -0.195 18.772 19.000 -0.056 0.000 0.833 312 A HN 0.373 nan 8.150 nan 0.000 0.451 313 D N -1.193 119.041 120.400 -0.277 0.000 2.149 313 D HA 0.010 4.650 4.640 -0.000 0.000 0.201 313 D C -0.338 175.611 176.300 -0.585 0.000 0.972 313 D CA 0.913 54.563 54.000 -0.584 0.000 0.835 313 D CB -0.166 39.945 40.800 -1.149 0.000 0.966 313 D HN 0.457 nan 8.370 nan 0.000 0.476 314 Y N 0.028 120.209 120.300 -0.199 0.000 2.326 314 Y HA 0.442 4.992 4.550 -0.000 0.000 0.337 314 Y C 1.212 177.069 175.900 -0.073 0.000 1.023 314 Y CA -0.836 57.199 58.100 -0.108 0.000 1.143 314 Y CB 1.548 39.972 38.460 -0.060 0.000 1.183 314 Y HN -0.175 nan 8.280 nan 0.000 0.485 315 A N 2.696 125.569 122.820 0.088 0.000 1.969 315 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 315 A C 0.698 178.285 177.584 0.005 0.000 1.169 315 A CA 1.176 53.221 52.037 0.013 0.000 0.635 315 A CB -0.200 18.794 19.000 -0.009 0.000 0.810 315 A HN 0.802 nan 8.150 nan 0.000 0.445 316 Q N -1.202 118.636 119.800 0.065 0.000 3.122 316 Q HA 0.371 4.711 4.340 -0.000 0.000 0.282 316 Q C 0.374 176.421 176.000 0.077 0.000 0.947 316 Q CA -0.145 55.693 55.803 0.057 0.000 0.812 316 Q CB 1.194 29.979 28.738 0.078 0.000 1.333 316 Q HN 0.115 nan 8.270 nan 0.000 0.430 317 V N 0.984 120.946 119.914 0.080 0.000 2.688 317 V HA -0.248 3.872 4.120 -0.000 0.000 0.256 317 V C 0.854 176.949 176.094 0.002 0.000 1.084 317 V CA 2.131 64.455 62.300 0.040 0.000 1.103 317 V CB 0.154 32.029 31.823 0.087 0.000 0.688 317 V HN 0.685 nan 8.190 nan 0.000 0.480 318 D N -0.422 120.017 120.400 0.065 0.000 2.371 318 D HA -0.073 4.567 4.640 -0.000 0.000 0.221 318 D C 1.171 177.541 176.300 0.115 0.000 0.986 318 D CA 0.764 54.813 54.000 0.082 0.000 0.899 318 D CB -0.016 40.884 40.800 0.166 0.000 0.902 318 D HN 0.515 nan 8.370 nan 0.000 0.530 319 D N 0.418 120.908 120.400 0.150 0.000 2.369 319 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 319 D C 0.385 176.767 176.300 0.137 0.000 1.077 319 D CA 0.161 54.319 54.000 0.263 0.000 0.842 319 D CB 0.516 41.531 40.800 0.358 0.000 0.947 319 D HN 0.075 nan 8.370 nan 0.000 0.509 320 Q N 0.769 120.543 119.800 -0.043 0.000 2.286 320 Q HA 0.219 4.559 4.340 -0.000 0.000 0.257 320 Q C -0.014 175.896 176.000 -0.151 0.000 0.941 320 Q CA -0.317 55.395 55.803 -0.152 0.000 0.912 320 Q CB 1.972 30.508 28.738 -0.337 0.000 1.192 320 Q HN -0.110 nan 8.270 nan 0.000 0.410 321 V N 3.559 123.381 119.914 -0.153 0.000 2.389 321 V HA 0.183 4.303 4.120 -0.000 0.000 0.264 321 V C 0.691 176.749 176.094 -0.059 0.000 1.049 321 V CA -0.428 61.754 62.300 -0.197 0.000 0.932 321 V CB 0.442 31.978 31.823 -0.479 0.000 1.011 321 V HN 0.859 nan 8.190 nan 0.000 0.475 322 T N 3.041 117.487 114.554 -0.181 0.000 2.899 322 T HA 0.823 5.173 4.350 -0.000 0.000 0.284 322 T C -0.614 174.128 174.700 0.070 0.000 1.004 322 T CA -0.436 61.487 62.100 -0.295 0.000 1.043 322 T CB 1.445 69.775 68.868 -0.897 0.000 1.013 322 T HN 0.656 nan 8.240 nan 0.000 0.518 323 F N -0.657 119.264 119.950 -0.049 0.000 2.773 323 F HA 0.560 5.087 4.527 -0.000 0.000 0.314 323 F C 0.039 175.908 175.800 0.114 0.000 1.160 323 F CA -1.448 56.569 58.000 0.027 0.000 0.920 323 F CB 0.772 39.778 39.000 0.009 0.000 1.323 323 F HN 0.583 nan 8.300 nan 0.000 0.457 324 I N -1.540 119.146 120.570 0.193 0.000 4.288 324 I HA 0.458 4.628 4.170 -0.000 0.000 0.331 324 I C -0.938 175.362 176.117 0.306 0.000 1.322 324 I CA 0.119 61.497 61.300 0.129 0.000 1.149 324 I CB 0.644 38.603 38.000 -0.068 0.000 1.112 324 I HN 0.667 nan 8.210 nan 0.000 0.403 325 D N 0.813 121.456 120.400 0.405 0.000 2.725 325 D HA 0.377 5.016 4.640 -0.000 0.000 0.292 325 D C -1.183 175.166 176.300 0.082 0.000 1.288 325 D CA -0.602 53.584 54.000 0.310 0.000 0.784 325 D CB 0.749 41.710 40.800 0.267 0.000 1.308 325 D HN 0.309 nan 8.370 nan 0.000 0.429 326 N N -2.654 115.900 118.700 -0.244 0.000 3.378 326 N HA 0.164 4.904 4.740 -0.000 0.000 0.294 326 N C 0.477 175.488 175.510 -0.832 0.000 1.544 326 N CA -0.570 52.046 53.050 -0.724 0.000 0.872 326 N CB -0.146 38.092 38.487 -0.416 0.000 1.670 326 N HN 0.560 nan 8.380 nan 0.000 0.551 327 H N -1.765 116.843 119.070 -0.771 0.000 2.567 327 H HA 0.165 4.721 4.556 -0.000 0.000 0.276 327 H C -0.798 174.509 175.328 -0.036 0.000 1.016 327 H CA 0.704 56.586 56.048 -0.277 0.000 1.186 327 H CB -0.359 29.458 29.762 0.091 0.000 1.351 327 H HN 0.532 nan 8.280 nan 0.000 0.605 328 D N 0.457 120.634 120.400 -0.372 0.000 2.501 328 D HA 0.257 4.897 4.640 -0.000 0.000 0.224 328 D C 0.213 176.530 176.300 0.030 0.000 1.202 328 D CA 0.048 53.959 54.000 -0.148 0.000 0.829 328 D CB 0.739 41.452 40.800 -0.147 0.000 1.023 328 D HN 0.367 nan 8.370 nan 0.000 0.499 329 M N -0.012 119.603 119.600 0.024 0.000 2.618 329 M HA 0.273 4.753 4.480 -0.000 0.000 0.281 329 M C -0.233 176.111 176.300 0.073 0.000 1.267 329 M CA -0.830 54.529 55.300 0.099 0.000 0.845 329 M CB 2.728 35.428 32.600 0.167 0.000 1.732 329 M HN -0.307 nan 8.290 nan 0.000 0.461 330 E N 1.441 121.689 120.200 0.079 0.000 2.422 330 E HA 0.138 4.488 4.350 -0.000 0.000 0.260 330 E C -0.617 176.046 176.600 0.105 0.000 1.108 330 E CA -0.037 56.404 56.400 0.069 0.000 0.943 330 E CB 0.593 30.317 29.700 0.040 0.000 0.961 330 E HN 0.386 nan 8.360 nan 0.000 0.443 331 R N 1.371 121.943 120.500 0.120 0.000 2.543 331 R HA 0.019 4.359 4.340 -0.000 0.000 0.277 331 R C 0.938 177.361 176.300 0.205 0.000 1.074 331 R CA -0.207 56.007 56.100 0.189 0.000 1.076 331 R CB 0.270 30.677 30.300 0.178 0.000 0.993 331 R HN 0.594 nan 8.270 nan 0.000 0.459 332 F N 1.673 121.705 119.950 0.137 0.000 2.120 332 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 332 F C 1.226 177.122 175.800 0.160 0.000 1.095 332 F CA 1.621 59.702 58.000 0.136 0.000 1.249 332 F CB -0.210 38.874 39.000 0.139 0.000 0.995 332 F HN 0.529 nan 8.300 nan 0.000 0.480 333 H N 0.585 119.849 119.070 0.323 0.000 2.800 333 H HA 0.510 5.066 4.556 -0.000 0.000 0.291 333 H C -0.476 174.918 175.328 0.110 0.000 1.076 333 H CA -0.514 55.676 56.048 0.238 0.000 1.452 333 H CB 0.453 30.394 29.762 0.298 0.000 1.461 333 H HN 0.212 nan 8.280 nan 0.000 0.488 334 A N 3.648 126.210 122.820 -0.430 0.000 2.301 334 A HA 0.291 4.611 4.320 -0.000 0.000 0.298 334 A C 1.462 178.727 177.584 -0.532 0.000 1.185 334 A CA -0.052 51.776 52.037 -0.349 0.000 0.830 334 A CB 0.189 19.061 19.000 -0.213 0.000 1.112 334 A HN 0.994 nan 8.150 nan 0.000 0.508 335 S N 2.381 117.918 115.700 -0.272 0.000 2.421 335 S HA -0.295 4.175 4.470 -0.000 0.000 0.239 335 S C 1.175 175.709 174.600 -0.110 0.000 1.054 335 S CA 1.957 60.070 58.200 -0.145 0.000 1.035 335 S CB -0.576 62.595 63.200 -0.048 0.000 0.840 335 S HN 0.916 nan 8.310 nan 0.000 0.475 336 N N 1.929 120.555 118.700 -0.123 0.000 2.254 336 N HA 0.328 5.068 4.740 -0.000 0.000 0.190 336 N C 0.444 175.922 175.510 -0.054 0.000 1.107 336 N CA 0.453 53.466 53.050 -0.062 0.000 0.869 336 N CB -0.079 38.378 38.487 -0.049 0.000 0.983 336 N HN 0.544 nan 8.380 nan 0.000 0.487 337 A N 1.249 124.001 122.820 -0.113 0.000 2.313 337 A HA 0.181 4.501 4.320 -0.000 0.000 0.261 337 A C 0.340 177.980 177.584 0.093 0.000 1.090 337 A CA -0.465 51.553 52.037 -0.032 0.000 0.807 337 A CB 0.169 19.129 19.000 -0.067 0.000 1.055 337 A HN 0.279 nan 8.150 nan 0.000 0.492 338 N N -0.083 118.683 118.700 0.111 0.000 2.475 338 N HA 0.045 4.785 4.740 -0.000 0.000 0.267 338 N C 0.958 176.597 175.510 0.215 0.000 1.169 338 N CA 0.020 53.148 53.050 0.129 0.000 0.947 338 N CB 0.594 39.139 38.487 0.096 0.000 1.061 338 N HN 0.585 nan 8.380 nan 0.000 0.466 339 R N 2.225 122.821 120.500 0.159 0.000 2.189 339 R HA -0.105 4.235 4.340 -0.000 0.000 0.223 339 R C 1.503 177.906 176.300 0.172 0.000 1.092 339 R CA 0.715 56.884 56.100 0.116 0.000 0.989 339 R CB -0.000 30.161 30.300 -0.231 0.000 0.876 339 R HN 0.456 nan 8.270 nan 0.000 0.457 340 R N 1.891 122.472 120.500 0.136 0.000 2.193 340 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 340 R C 1.454 177.857 176.300 0.171 0.000 1.110 340 R CA 1.485 57.665 56.100 0.132 0.000 0.988 340 R CB -0.093 30.269 30.300 0.103 0.000 0.871 340 R HN 0.111 nan 8.270 nan 0.000 0.458 341 K N -0.096 120.450 120.400 0.243 0.000 2.057 341 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 341 K C 2.035 178.842 176.600 0.345 0.000 1.050 341 K CA 1.563 58.056 56.287 0.345 0.000 0.935 341 K CB -0.326 32.416 32.500 0.404 0.000 0.715 341 K HN 0.256 nan 8.250 nan 0.000 0.439 342 L N 1.685 123.122 121.223 0.357 0.000 2.056 342 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 342 L C 2.045 178.870 176.870 -0.076 0.000 1.078 342 L CA 1.480 56.383 54.840 0.104 0.000 0.749 342 L CB -0.081 42.135 42.059 0.261 0.000 0.901 342 L HN 0.141 nan 8.230 nan 0.000 0.433 343 E N -0.509 119.717 120.200 0.044 0.000 2.058 343 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 343 E C 2.206 178.759 176.600 -0.078 0.000 0.997 343 E CA 1.783 58.182 56.400 -0.001 0.000 0.801 343 E CB -0.168 29.574 29.700 0.071 0.000 0.746 343 E HN 0.610 nan 8.360 nan 0.000 0.450 344 Q N 0.122 119.874 119.800 -0.080 0.000 2.050 344 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 344 Q C 2.353 178.087 176.000 -0.444 0.000 0.980 344 Q CA 1.297 56.999 55.803 -0.167 0.000 0.840 344 Q CB -0.234 28.469 28.738 -0.059 0.000 0.898 344 Q HN 0.275 nan 8.270 nan 0.000 0.424 345 A N 0.943 123.379 122.820 -0.640 0.000 1.940 345 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 345 A C 2.065 179.430 177.584 -0.365 0.000 1.176 345 A CA 1.069 52.638 52.037 -0.780 0.000 0.631 345 A CB -0.635 17.828 19.000 -0.895 0.000 0.814 345 A HN 0.287 nan 8.150 nan 0.000 0.446 346 L N -1.062 119.989 121.223 -0.286 0.000 2.027 346 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 346 L C 3.135 179.950 176.870 -0.093 0.000 1.074 346 L CA 1.083 55.827 54.840 -0.161 0.000 0.745 346 L CB -0.528 41.445 42.059 -0.143 0.000 0.898 346 L HN 0.457 nan 8.230 nan 0.000 0.433 347 A N -0.373 122.395 122.820 -0.087 0.000 1.902 347 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 347 A C 2.132 179.733 177.584 0.029 0.000 1.181 347 A CA 1.617 53.630 52.037 -0.041 0.000 0.623 347 A CB -0.823 18.152 19.000 -0.040 0.000 0.818 347 A HN 0.421 nan 8.150 nan 0.000 0.443 348 F N 1.175 121.060 119.950 -0.108 0.000 2.113 348 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 348 F C 2.503 178.352 175.800 0.081 0.000 1.103 348 F CA 2.269 60.277 58.000 0.013 0.000 1.248 348 F CB -0.604 38.309 39.000 -0.145 0.000 0.999 348 F HN 0.198 nan 8.300 nan 0.000 0.475 349 T N 1.432 116.050 114.554 0.107 0.000 2.708 349 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 349 T C 2.125 176.766 174.700 -0.098 0.000 1.037 349 T CA 1.732 63.871 62.100 0.065 0.000 1.146 349 T CB -0.544 68.387 68.868 0.105 0.000 0.865 349 T HN 0.226 nan 8.240 nan 0.000 0.435 350 L N 1.295 122.471 121.223 -0.079 0.000 2.191 350 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 350 L C 2.608 179.409 176.870 -0.115 0.000 1.103 350 L CA 1.365 56.145 54.840 -0.100 0.000 0.769 350 L CB -0.791 41.215 42.059 -0.087 0.000 0.908 350 L HN 0.430 nan 8.230 nan 0.000 0.438 351 T N -5.706 108.787 114.554 -0.102 0.000 3.069 351 T HA 0.179 4.529 4.350 -0.000 0.000 0.252 351 T C 0.801 175.459 174.700 -0.070 0.000 1.053 351 T CA -0.268 61.791 62.100 -0.068 0.000 0.964 351 T CB 0.295 69.157 68.868 -0.010 0.000 1.005 351 T HN -0.011 nan 8.240 nan 0.000 0.532 352 S N 2.279 117.854 115.700 -0.209 0.000 2.693 352 S HA 0.546 5.016 4.470 -0.000 0.000 0.276 352 S C 0.478 174.944 174.600 -0.224 0.000 1.192 352 S CA -1.033 56.996 58.200 -0.285 0.000 0.994 352 S CB 0.825 63.748 63.200 -0.461 0.000 1.012 352 S HN 0.597 nan 8.310 nan 0.000 0.550 353 R N 0.867 121.259 120.500 -0.181 0.000 2.734 353 R HA 0.514 4.854 4.340 -0.000 0.000 0.266 353 R C 0.500 176.667 176.300 -0.221 0.000 1.044 353 R CA 0.617 56.630 56.100 -0.145 0.000 1.128 353 R CB -1.238 29.022 30.300 -0.066 0.000 1.010 353 R HN 0.925 nan 8.270 nan 0.000 0.461 354 G N -0.013 108.683 108.800 -0.172 0.000 2.447 354 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.220 354 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.220 354 G C -1.524 173.264 174.900 -0.186 0.000 1.261 354 G CA -0.365 44.621 45.100 -0.190 0.000 1.000 354 G HN 0.654 nan 8.290 nan 0.000 0.515 355 V N 2.507 122.314 119.914 -0.179 0.000 2.326 355 V HA 0.524 4.644 4.120 -0.000 0.000 0.281 355 V C -2.003 174.000 176.094 -0.152 0.000 1.015 355 V CA -1.144 61.066 62.300 -0.151 0.000 0.823 355 V CB 1.593 33.350 31.823 -0.111 0.000 1.009 355 V HN 0.641 nan 8.190 nan 0.000 0.436 356 P HA 0.415 nan 4.420 nan 0.000 0.276 356 P C -0.670 176.640 177.300 0.017 0.000 1.230 356 P CA 0.003 63.052 63.100 -0.086 0.000 0.776 356 P CB 1.143 32.788 31.700 -0.092 0.000 0.888 357 A N 4.245 127.120 122.820 0.093 0.000 2.356 357 A HA 0.708 5.028 4.320 -0.000 0.000 0.310 357 A C -0.597 177.097 177.584 0.183 0.000 1.075 357 A CA -0.784 51.370 52.037 0.193 0.000 0.746 357 A CB 0.691 19.878 19.000 0.312 0.000 1.221 357 A HN 0.452 nan 8.150 nan 0.000 0.443 358 I N 2.428 123.089 120.570 0.151 0.000 2.406 358 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 358 I C -0.929 175.193 176.117 0.009 0.000 0.999 358 I CA -0.712 60.652 61.300 0.106 0.000 1.124 358 I CB 1.475 39.553 38.000 0.131 0.000 1.289 358 I HN 0.725 nan 8.210 nan 0.000 0.441 359 Y N 8.348 128.573 120.300 -0.125 0.000 2.402 359 Y HA 0.098 4.648 4.550 -0.000 0.000 0.333 359 Y C 0.064 175.761 175.900 -0.339 0.000 1.076 359 Y CA -1.060 56.913 58.100 -0.211 0.000 1.299 359 Y CB 0.141 38.531 38.460 -0.117 0.000 1.197 359 Y HN 0.437 nan 8.280 nan 0.000 0.517 360 Y N 4.108 123.959 120.300 -0.749 0.000 2.895 360 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 360 Y C 1.059 176.771 175.900 -0.313 0.000 1.261 360 Y CA -0.087 57.628 58.100 -0.641 0.000 1.560 360 Y CB -0.023 38.203 38.460 -0.390 0.000 1.253 360 Y HN 0.906 nan 8.280 nan 0.000 0.582 361 G N 2.118 110.863 108.800 -0.092 0.000 2.234 361 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.235 361 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.235 361 G C 0.882 175.703 174.900 -0.132 0.000 0.997 361 G CA 0.327 45.325 45.100 -0.171 0.000 0.623 361 G HN 0.824 nan 8.290 nan 0.000 0.514 362 T N 1.860 116.336 114.554 -0.129 0.000 2.652 362 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 362 T C 2.145 176.732 174.700 -0.188 0.000 1.039 362 T CA 1.988 64.033 62.100 -0.092 0.000 1.153 362 T CB -0.310 68.536 68.868 -0.037 0.000 0.863 362 T HN 0.777 nan 8.240 nan 0.000 0.428 363 E N 1.115 121.259 120.200 -0.093 0.000 2.463 363 E HA -0.174 4.176 4.350 -0.000 0.000 0.201 363 E C 1.251 177.724 176.600 -0.211 0.000 1.045 363 E CA 0.919 57.230 56.400 -0.149 0.000 0.872 363 E CB -0.161 29.575 29.700 0.060 0.000 0.797 363 E HN 0.420 nan 8.360 nan 0.000 0.538 364 Q N -0.295 119.429 119.800 -0.127 0.000 2.219 364 Q HA 0.066 4.406 4.340 -0.000 0.000 0.209 364 Q C -0.505 175.517 176.000 0.035 0.000 0.854 364 Q CA -0.374 55.421 55.803 -0.014 0.000 0.960 364 Q CB -0.177 28.595 28.738 0.057 0.000 1.116 364 Q HN 0.349 nan 8.270 nan 0.000 0.500 365 Y N -1.187 119.100 120.300 -0.022 0.000 3.589 365 Y HA -0.273 4.277 4.550 -0.000 0.000 0.218 365 Y C 0.310 176.240 175.900 0.050 0.000 1.234 365 Y CA 0.172 58.212 58.100 -0.099 0.000 1.576 365 Y CB -2.605 35.703 38.460 -0.254 0.000 1.487 365 Y HN 0.198 nan 8.280 nan 0.000 0.616 366 M N 0.141 119.812 119.600 0.118 0.000 2.245 366 M HA 0.224 4.703 4.480 -0.000 0.000 0.344 366 M C 0.705 177.108 176.300 0.173 0.000 1.170 366 M CA 0.886 56.244 55.300 0.096 0.000 1.135 366 M CB 0.600 33.171 32.600 -0.049 0.000 1.574 366 M HN 0.284 nan 8.290 nan 0.000 0.452 367 S N 0.648 116.434 115.700 0.144 0.000 2.648 367 S HA 0.953 5.423 4.470 -0.000 0.000 0.305 367 S C -0.234 174.403 174.600 0.061 0.000 1.094 367 S CA -0.643 57.627 58.200 0.116 0.000 0.983 367 S CB 2.177 65.424 63.200 0.079 0.000 1.101 367 S HN 0.942 nan 8.310 nan 0.000 0.514 368 G N -0.271 108.558 108.800 0.047 0.000 2.368 368 G HA2 0.467 4.427 3.960 -0.000 0.000 0.301 368 G HA3 0.467 4.427 3.960 -0.000 0.000 0.301 368 G C -0.345 174.578 174.900 0.037 0.000 1.640 368 G CA -0.274 44.848 45.100 0.036 0.000 0.941 368 G HN 0.901 nan 8.290 nan 0.000 0.695 369 G N -0.486 108.329 108.800 0.025 0.000 2.546 369 G HA2 0.741 4.701 3.960 -0.000 0.000 0.239 369 G HA3 0.741 4.701 3.960 -0.000 0.000 0.239 369 G C 1.007 175.926 174.900 0.032 0.000 1.476 369 G CA 0.748 45.861 45.100 0.023 0.000 1.064 369 G HN 1.670 nan 8.290 nan 0.000 0.561 370 T N -1.599 112.969 114.554 0.024 0.000 2.667 370 T HA 0.198 4.548 4.350 -0.000 0.000 0.305 370 T C 0.255 174.972 174.700 0.027 0.000 1.022 370 T CA 0.024 62.138 62.100 0.023 0.000 0.995 370 T CB 0.557 69.429 68.868 0.007 0.000 1.026 370 T HN 0.439 nan 8.240 nan 0.000 0.527 371 D N 1.830 122.247 120.400 0.029 0.000 2.581 371 D HA 0.058 4.698 4.640 -0.000 0.000 0.238 371 D C -1.224 175.106 176.300 0.050 0.000 1.145 371 D CA -1.424 52.608 54.000 0.053 0.000 0.866 371 D CB 0.602 41.431 40.800 0.050 0.000 1.151 371 D HN 0.422 nan 8.370 nan 0.000 0.500 372 P HA 0.183 nan 4.420 nan 0.000 0.280 372 P C 0.124 177.450 177.300 0.044 0.000 1.431 372 P CA -0.230 62.921 63.100 0.084 0.000 1.058 372 P CB 0.610 32.373 31.700 0.105 0.000 1.521 373 D N 1.533 121.953 120.400 0.032 0.000 2.309 373 D HA -0.115 4.525 4.640 -0.000 0.000 0.212 373 D C 1.075 177.393 176.300 0.030 0.000 0.968 373 D CA 1.001 55.014 54.000 0.022 0.000 0.882 373 D CB -0.238 40.573 40.800 0.018 0.000 0.918 373 D HN 0.370 nan 8.370 nan 0.000 0.503 374 N N 0.027 118.756 118.700 0.049 0.000 2.383 374 N HA -0.041 4.699 4.740 -0.000 0.000 0.192 374 N C 0.416 175.976 175.510 0.083 0.000 1.141 374 N CA 0.063 53.164 53.050 0.085 0.000 0.851 374 N CB -0.056 38.501 38.487 0.116 0.000 0.976 374 N HN 0.049 nan 8.380 nan 0.000 0.465 375 R N -0.021 120.494 120.500 0.024 0.000 2.748 375 R HA 0.455 4.795 4.340 -0.000 0.000 0.395 375 R C -0.261 176.068 176.300 0.049 0.000 1.128 375 R CA -0.349 55.742 56.100 -0.014 0.000 1.042 375 R CB 0.810 31.019 30.300 -0.152 0.000 1.392 375 R HN 0.135 nan 8.270 nan 0.000 0.582 376 A N 1.365 124.209 122.820 0.041 0.000 2.346 376 A HA 0.240 4.559 4.320 -0.000 0.000 0.252 376 A C 0.122 177.771 177.584 0.109 0.000 1.089 376 A CA -0.392 51.666 52.037 0.034 0.000 0.797 376 A CB 0.333 19.334 19.000 0.002 0.000 1.047 376 A HN 0.435 nan 8.150 nan 0.000 0.494 377 R N 0.965 121.498 120.500 0.055 0.000 2.491 377 R HA 0.244 4.584 4.340 -0.000 0.000 0.283 377 R C -0.144 176.187 176.300 0.051 0.000 1.072 377 R CA -0.300 55.839 56.100 0.066 0.000 1.048 377 R CB 0.191 30.487 30.300 -0.007 0.000 0.983 377 R HN 0.705 nan 8.270 nan 0.000 0.450 378 I N 7.604 128.227 120.570 0.089 0.000 2.742 378 I HA 0.003 4.173 4.170 -0.000 0.000 0.287 378 I C -1.255 174.720 176.117 -0.236 0.000 1.186 378 I CA -1.501 59.779 61.300 -0.032 0.000 1.417 378 I CB 1.178 39.170 38.000 -0.013 0.000 1.377 378 I HN 0.727 nan 8.210 nan 0.000 0.556 379 P HA -0.038 nan 4.420 nan 0.000 0.229 379 P C -0.154 176.976 177.300 -0.284 0.000 1.160 379 P CA 0.680 63.669 63.100 -0.185 0.000 0.777 379 P CB 0.115 31.759 31.700 -0.093 0.000 0.814 380 S N -1.769 113.675 115.700 -0.427 0.000 2.595 380 S HA 0.462 4.932 4.470 -0.000 0.000 0.270 380 S C -1.327 172.861 174.600 -0.686 0.000 1.145 380 S CA -0.759 57.147 58.200 -0.490 0.000 0.825 380 S CB 0.021 63.104 63.200 -0.195 0.000 1.107 380 S HN -0.196 nan 8.310 nan 0.000 0.461 381 F N 2.002 121.800 119.950 -0.253 0.000 2.893 381 F HA 0.520 5.047 4.527 0.000 0.000 0.340 381 F C 0.982 176.730 175.800 -0.086 0.000 1.300 381 F CA -0.549 57.160 58.000 -0.484 0.000 1.227 381 F CB 0.775 39.393 39.000 -0.637 0.000 1.044 381 F HN 0.641 nan 8.300 nan 0.000 0.512 382 S N 0.083 115.856 115.700 0.122 0.000 2.562 382 S HA 0.310 4.780 4.470 -0.000 0.000 0.275 382 S C 1.168 175.726 174.600 -0.069 0.000 1.281 382 S CA 0.014 58.243 58.200 0.049 0.000 1.045 382 S CB 0.881 64.090 63.200 0.016 0.000 0.962 382 S HN 0.457 nan 8.310 nan 0.000 0.503 383 T N 1.035 115.401 114.554 -0.313 0.000 3.105 383 T HA 0.208 4.557 4.350 -0.000 0.000 0.253 383 T C 0.864 175.293 174.700 -0.450 0.000 1.047 383 T CA -0.103 61.424 62.100 -0.954 0.000 0.944 383 T CB -0.100 68.264 68.868 -0.841 0.000 1.016 383 T HN 0.394 nan 8.240 nan 0.000 0.544 384 S N 2.349 117.945 115.700 -0.172 0.000 2.634 384 S HA 0.161 4.631 4.470 -0.000 0.000 0.221 384 S C 1.019 175.640 174.600 0.036 0.000 0.952 384 S CA -0.105 58.067 58.200 -0.047 0.000 0.930 384 S CB -0.199 62.987 63.200 -0.022 0.000 0.780 384 S HN 0.876 nan 8.310 nan 0.000 0.498 385 T N -1.171 113.432 114.554 0.082 0.000 2.913 385 T HA 0.249 4.598 4.350 -0.000 0.000 0.287 385 T C 1.307 176.128 174.700 0.201 0.000 1.008 385 T CA -0.388 61.830 62.100 0.197 0.000 1.067 385 T CB 1.150 70.178 68.868 0.267 0.000 0.996 385 T HN -0.048 nan 8.240 nan 0.000 0.513 386 T N 1.834 116.532 114.554 0.239 0.000 2.788 386 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 386 T C 2.346 177.135 174.700 0.147 0.000 1.044 386 T CA 1.387 63.596 62.100 0.181 0.000 1.139 386 T CB -0.736 68.239 68.868 0.178 0.000 0.867 386 T HN 0.821 nan 8.240 nan 0.000 0.454 387 A N 0.525 123.423 122.820 0.129 0.000 1.877 387 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 387 A C 2.074 179.652 177.584 -0.010 0.000 1.186 387 A CA 1.526 53.533 52.037 -0.050 0.000 0.620 387 A CB -1.074 17.694 19.000 -0.386 0.000 0.822 387 A HN 0.570 nan 8.150 nan 0.000 0.443 388 Y N 0.835 121.092 120.300 -0.072 0.000 2.165 388 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 388 Y C 2.518 178.385 175.900 -0.056 0.000 1.155 388 Y CA 2.366 60.428 58.100 -0.063 0.000 1.164 388 Y CB -0.320 38.122 38.460 -0.029 0.000 0.978 388 Y HN 0.470 nan 8.280 nan 0.000 0.513 389 Q N -1.236 118.691 119.800 0.213 0.000 2.172 389 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 389 Q C 2.338 178.346 176.000 0.015 0.000 0.964 389 Q CA 1.474 57.352 55.803 0.125 0.000 0.855 389 Q CB -0.202 28.604 28.738 0.113 0.000 0.918 389 Q HN 0.375 nan 8.270 nan 0.000 0.444 390 V N 1.329 121.240 119.914 -0.005 0.000 2.295 390 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 390 V C 2.159 178.204 176.094 -0.082 0.000 1.049 390 V CA 1.597 63.873 62.300 -0.040 0.000 1.024 390 V CB -0.409 31.391 31.823 -0.038 0.000 0.648 390 V HN 0.344 nan 8.190 nan 0.000 0.447 391 I N -0.011 120.487 120.570 -0.120 0.000 2.208 391 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 391 I C 2.659 178.667 176.117 -0.181 0.000 1.097 391 I CA 2.085 63.287 61.300 -0.164 0.000 1.363 391 I CB -0.482 37.381 38.000 -0.228 0.000 1.051 391 I HN 0.434 nan 8.210 nan 0.000 0.413 392 Q N 1.410 121.089 119.800 -0.203 0.000 2.170 392 Q HA -0.207 4.133 4.340 -0.000 0.000 0.203 392 Q C 1.976 177.918 176.000 -0.096 0.000 0.976 392 Q CA 1.392 57.096 55.803 -0.164 0.000 0.858 392 Q CB 0.151 28.825 28.738 -0.106 0.000 0.907 392 Q HN 0.434 nan 8.270 nan 0.000 0.433 393 K N -0.084 120.270 120.400 -0.076 0.000 2.211 393 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 393 K C 2.028 178.581 176.600 -0.078 0.000 1.052 393 K CA 0.568 56.817 56.287 -0.063 0.000 0.973 393 K CB 0.262 32.731 32.500 -0.051 0.000 0.766 393 K HN 0.311 nan 8.250 nan 0.000 0.466 394 L N 0.222 121.391 121.223 -0.091 0.000 2.354 394 L HA 0.110 4.450 4.340 -0.000 0.000 0.212 394 L C 2.506 179.314 176.870 -0.105 0.000 1.091 394 L CA 0.317 55.099 54.840 -0.096 0.000 0.828 394 L CB -0.457 41.545 42.059 -0.095 0.000 0.973 394 L HN 0.015 nan 8.230 nan 0.000 0.461 395 A N 1.408 124.160 122.820 -0.113 0.000 1.883 395 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 395 A C -0.100 177.412 177.584 -0.119 0.000 1.186 395 A CA 1.759 53.725 52.037 -0.119 0.000 0.624 395 A CB -1.804 17.118 19.000 -0.130 0.000 0.822 395 A HN 0.253 nan 8.150 nan 0.000 0.444 396 P HA -0.124 nan 4.420 nan 0.000 0.219 396 P C 1.371 178.606 177.300 -0.107 0.000 1.146 396 P CA 0.702 63.739 63.100 -0.105 0.000 0.808 396 P CB -0.172 31.476 31.700 -0.088 0.000 0.779 397 L N -0.868 120.292 121.223 -0.104 0.000 2.127 397 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 397 L C 2.440 179.231 176.870 -0.132 0.000 1.089 397 L CA 1.545 56.323 54.840 -0.103 0.000 0.757 397 L CB -0.660 41.343 42.059 -0.094 0.000 0.899 397 L HN 0.028 nan 8.230 nan 0.000 0.434 398 R N -0.113 120.294 120.500 -0.155 0.000 2.193 398 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 398 R C 2.073 178.235 176.300 -0.230 0.000 1.110 398 R CA 0.748 56.724 56.100 -0.208 0.000 0.988 398 R CB -0.056 30.117 30.300 -0.211 0.000 0.871 398 R HN 0.388 nan 8.270 nan 0.000 0.458 399 K N 0.029 120.321 120.400 -0.180 0.000 2.202 399 K HA -0.001 4.319 4.320 -0.000 0.000 0.201 399 K C 2.216 178.734 176.600 -0.137 0.000 1.051 399 K CA 1.091 57.277 56.287 -0.168 0.000 0.977 399 K CB 0.188 32.603 32.500 -0.142 0.000 0.792 399 K HN 0.324 nan 8.250 nan 0.000 0.469 400 C N 0.236 119.467 119.300 -0.116 0.000 2.634 400 C HA 0.248 4.708 4.460 -0.000 0.000 0.268 400 C C 0.805 175.745 174.990 -0.083 0.000 1.322 400 C CA -0.527 58.437 59.018 -0.090 0.000 1.737 400 C CB -0.752 26.943 27.740 -0.075 0.000 1.976 400 C HN 0.147 nan 8.230 nan 0.000 0.547 401 N N 1.794 120.435 118.700 -0.097 0.000 2.696 401 N HA 0.336 5.076 4.740 -0.000 0.000 0.246 401 N C -2.004 173.445 175.510 -0.102 0.000 1.057 401 N CA -1.950 51.055 53.050 -0.074 0.000 0.867 401 N CB 1.334 39.786 38.487 -0.059 0.000 1.141 401 N HN 0.103 nan 8.380 nan 0.000 0.517 402 P HA -0.111 nan 4.420 nan 0.000 0.222 402 P C 0.949 178.189 177.300 -0.100 0.000 1.142 402 P CA 0.740 63.759 63.100 -0.134 0.000 0.788 402 P CB 0.282 32.061 31.700 0.132 0.000 0.767 403 A N -0.123 122.728 122.820 0.051 0.000 1.902 403 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 403 A C 2.258 179.837 177.584 -0.008 0.000 1.181 403 A CA 1.326 53.428 52.037 0.109 0.000 0.623 403 A CB -1.414 17.652 19.000 0.110 0.000 0.818 403 A HN 0.157 nan 8.150 nan 0.000 0.443 404 I N -0.631 119.889 120.570 -0.084 0.000 2.353 404 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 404 I C 2.897 178.875 176.117 -0.232 0.000 1.119 404 I CA 0.935 62.161 61.300 -0.124 0.000 1.417 404 I CB -0.277 37.649 38.000 -0.122 0.000 1.078 404 I HN 0.364 nan 8.210 nan 0.000 0.421 405 A N 0.157 122.732 122.820 -0.407 0.000 1.897 405 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 405 A C 1.678 178.853 177.584 -0.682 0.000 1.181 405 A CA 1.513 53.145 52.037 -0.676 0.000 0.620 405 A CB -0.436 17.908 19.000 -1.092 0.000 0.821 405 A HN 0.467 nan 8.150 nan 0.000 0.443 406 Y N -0.817 119.289 120.300 -0.323 0.000 2.432 406 Y HA 0.357 4.907 4.550 -0.000 0.000 0.252 406 Y C 1.618 177.439 175.900 -0.132 0.000 1.097 406 Y CA -0.924 56.965 58.100 -0.352 0.000 1.250 406 Y CB -0.715 37.198 38.460 -0.910 0.000 1.245 406 Y HN 0.228 nan 8.280 nan 0.000 0.522 407 G N 1.125 109.976 108.800 0.085 0.000 2.614 407 G HA2 0.302 4.262 3.960 -0.000 0.000 0.239 407 G HA3 0.302 4.262 3.960 -0.000 0.000 0.239 407 G C 0.344 175.342 174.900 0.164 0.000 1.240 407 G CA -0.027 45.205 45.100 0.221 0.000 0.842 407 G HN 0.264 nan 8.290 nan 0.000 0.584 408 S N -0.596 115.210 115.700 0.176 0.000 2.624 408 S HA 0.593 5.063 4.470 -0.000 0.000 0.263 408 S C 0.094 174.766 174.600 0.120 0.000 1.287 408 S CA -0.451 57.827 58.200 0.130 0.000 0.990 408 S CB 1.477 64.750 63.200 0.121 0.000 0.950 408 S HN 0.591 nan 8.310 nan 0.000 0.561 409 T N 1.574 116.191 114.554 0.104 0.000 2.829 409 T HA 0.549 4.899 4.350 -0.000 0.000 0.280 409 T C -0.929 173.846 174.700 0.125 0.000 0.999 409 T CA -0.562 61.609 62.100 0.119 0.000 0.983 409 T CB 1.356 70.264 68.868 0.065 0.000 0.968 409 T HN 0.664 nan 8.240 nan 0.000 0.446 410 Q N 1.863 121.764 119.800 0.169 0.000 2.268 410 Q HA 0.195 4.535 4.340 -0.000 0.000 0.266 410 Q C -1.169 174.950 176.000 0.197 0.000 1.006 410 Q CA -0.610 55.284 55.803 0.152 0.000 0.824 410 Q CB 1.945 30.758 28.738 0.126 0.000 1.306 410 Q HN 0.652 nan 8.270 nan 0.000 0.424 411 E N 3.606 123.908 120.200 0.170 0.000 2.366 411 E HA 0.027 4.377 4.350 -0.000 0.000 0.266 411 E C -0.157 176.550 176.600 0.177 0.000 1.015 411 E CA 0.288 56.803 56.400 0.192 0.000 0.906 411 E CB 0.609 30.388 29.700 0.131 0.000 0.979 411 E HN 0.612 nan 8.360 nan 0.000 0.443 412 R N 3.502 124.136 120.500 0.224 0.000 2.344 412 R HA 0.140 4.480 4.340 -0.000 0.000 0.209 412 R C 0.013 176.495 176.300 0.303 0.000 0.886 412 R CA -0.020 56.211 56.100 0.219 0.000 1.040 412 R CB 0.630 31.055 30.300 0.209 0.000 1.114 412 R HN 0.534 nan 8.270 nan 0.000 0.547 413 W N 0.437 121.789 121.300 0.087 0.000 3.571 413 W HA 0.596 5.256 4.660 -0.000 0.000 0.294 413 W C -1.766 174.772 176.519 0.032 0.000 1.257 413 W CA -0.642 56.738 57.345 0.059 0.000 1.206 413 W CB 1.377 30.875 29.460 0.065 0.000 1.325 413 W HN -0.140 nan 8.180 nan 0.000 0.546 414 I N 5.960 126.493 120.570 -0.061 0.000 2.785 414 I HA 0.399 4.569 4.170 -0.000 0.000 0.293 414 I C -1.595 174.359 176.117 -0.271 0.000 1.446 414 I CA -0.465 60.795 61.300 -0.066 0.000 1.028 414 I CB 1.558 39.446 38.000 -0.188 0.000 1.349 414 I HN 0.656 nan 8.210 nan 0.000 0.438 415 N N 3.902 122.499 118.700 -0.172 0.000 3.418 415 N HA 0.342 5.082 4.740 -0.000 0.000 0.316 415 N C -0.448 174.957 175.510 -0.175 0.000 1.601 415 N CA -0.595 52.400 53.050 -0.091 0.000 0.805 415 N CB 0.318 38.853 38.487 0.081 0.000 1.873 415 N HN 0.619 nan 8.380 nan 0.000 0.615 416 N N -0.987 117.763 118.700 0.083 0.000 2.104 416 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 416 N C -0.262 175.225 175.510 -0.038 0.000 1.024 416 N CA 1.401 54.501 53.050 0.082 0.000 0.853 416 N CB -0.043 38.510 38.487 0.110 0.000 1.008 416 N HN 0.497 nan 8.380 nan 0.000 0.424 417 D N -0.285 120.108 120.400 -0.011 0.000 2.423 417 D HA 0.113 4.753 4.640 -0.000 0.000 0.208 417 D C -0.048 176.246 176.300 -0.011 0.000 1.068 417 D CA 0.261 54.243 54.000 -0.029 0.000 0.860 417 D CB 0.913 41.720 40.800 0.011 0.000 0.992 417 D HN -0.062 nan 8.370 nan 0.000 0.504 418 V N 1.747 121.692 119.914 0.051 0.000 2.581 418 V HA 0.452 4.572 4.120 -0.000 0.000 0.303 418 V C -0.616 175.559 176.094 0.135 0.000 1.041 418 V CA -0.850 61.521 62.300 0.119 0.000 0.907 418 V CB 2.456 34.407 31.823 0.213 0.000 0.994 418 V HN -0.057 nan 8.190 nan 0.000 0.442 419 L N 6.075 127.404 121.223 0.176 0.000 2.476 419 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 419 L C -1.062 176.010 176.870 0.336 0.000 0.965 419 L CA 0.071 55.054 54.840 0.238 0.000 0.845 419 L CB 1.584 43.769 42.059 0.209 0.000 1.259 419 L HN 0.547 nan 8.230 nan 0.000 0.403 420 I N 6.186 126.968 120.570 0.353 0.000 2.389 420 I HA 0.405 4.575 4.170 -0.000 0.000 0.288 420 I C -1.135 175.181 176.117 0.331 0.000 0.999 420 I CA -0.750 60.724 61.300 0.291 0.000 1.129 420 I CB 1.325 39.504 38.000 0.299 0.000 1.288 420 I HN 0.662 nan 8.210 nan 0.000 0.444 421 Y N 3.142 123.558 120.300 0.194 0.000 2.570 421 Y HA 0.741 5.290 4.550 -0.000 0.000 0.345 421 Y C -0.811 175.166 175.900 0.128 0.000 1.014 421 Y CA -1.355 56.839 58.100 0.157 0.000 1.063 421 Y CB 1.286 39.836 38.460 0.151 0.000 1.272 421 Y HN 0.511 nan 8.280 nan 0.000 0.477 422 E N 2.284 122.631 120.200 0.246 0.000 2.210 422 E HA 0.477 4.827 4.350 -0.000 0.000 0.266 422 E C -1.176 175.537 176.600 0.188 0.000 0.883 422 E CA -1.109 55.380 56.400 0.147 0.000 0.761 422 E CB 1.049 30.822 29.700 0.122 0.000 1.156 422 E HN 0.618 nan 8.360 nan 0.000 0.412 423 R N 3.317 123.905 120.500 0.147 0.000 2.460 423 R HA 0.483 4.823 4.340 -0.000 0.000 0.303 423 R C -0.690 175.688 176.300 0.129 0.000 0.968 423 R CA -0.638 55.548 56.100 0.143 0.000 0.889 423 R CB 1.501 31.869 30.300 0.113 0.000 1.123 423 R HN 0.503 nan 8.270 nan 0.000 0.455 424 K N 2.042 122.534 120.400 0.153 0.000 2.535 424 K HA 0.449 4.769 4.320 -0.000 0.000 0.251 424 K C -1.906 174.844 176.600 0.250 0.000 0.942 424 K CA -0.589 55.797 56.287 0.165 0.000 0.798 424 K CB 1.495 34.069 32.500 0.124 0.000 1.267 424 K HN 0.430 nan 8.250 nan 0.000 0.434 425 F N 3.978 123.969 119.950 0.069 0.000 2.787 425 F HA 0.428 4.954 4.527 -0.000 0.000 0.340 425 F C 0.202 176.034 175.800 0.053 0.000 1.232 425 F CA 0.749 58.794 58.000 0.075 0.000 1.051 425 F CB 1.259 40.327 39.000 0.114 0.000 1.330 425 F HN 0.828 nan 8.300 nan 0.000 0.522 426 G N 3.486 112.015 108.800 -0.452 0.000 2.583 426 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 426 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 426 G C 0.284 175.132 174.900 -0.088 0.000 1.203 426 G CA 0.112 45.002 45.100 -0.349 0.000 0.987 426 G HN 1.000 nan 8.290 nan 0.000 0.554 427 S N 2.568 118.247 115.700 -0.036 0.000 2.596 427 S HA 0.358 4.828 4.470 -0.000 0.000 0.248 427 S C 0.128 174.762 174.600 0.057 0.000 1.162 427 S CA -0.242 57.989 58.200 0.053 0.000 1.185 427 S CB -0.398 62.826 63.200 0.041 0.000 0.833 427 S HN 0.531 nan 8.310 nan 0.000 0.472 428 N N 1.093 119.845 118.700 0.087 0.000 2.295 428 N HA 0.509 5.249 4.740 -0.000 0.000 0.293 428 N C -1.263 174.334 175.510 0.145 0.000 1.040 428 N CA -0.333 52.769 53.050 0.085 0.000 0.840 428 N CB 2.447 40.989 38.487 0.091 0.000 1.468 428 N HN -0.039 nan 8.380 nan 0.000 0.478 429 V N 0.230 120.241 119.914 0.162 0.000 2.925 429 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 429 V C -0.676 175.478 176.094 0.101 0.000 1.104 429 V CA -0.853 61.531 62.300 0.141 0.000 0.954 429 V CB 1.881 33.796 31.823 0.153 0.000 1.022 429 V HN 0.845 nan 8.190 nan 0.000 0.427 430 A N 2.823 125.683 122.820 0.067 0.000 2.459 430 A HA 0.878 5.198 4.320 -0.000 0.000 0.296 430 A C -1.379 176.208 177.584 0.004 0.000 1.039 430 A CA -0.516 51.539 52.037 0.029 0.000 0.698 430 A CB 1.913 20.915 19.000 0.003 0.000 1.261 430 A HN 0.791 nan 8.150 nan 0.000 0.405 431 V N 2.178 122.094 119.914 0.004 0.000 2.540 431 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 431 V C -0.422 175.578 176.094 -0.156 0.000 1.035 431 V CA -0.633 61.665 62.300 -0.002 0.000 0.873 431 V CB 1.572 33.499 31.823 0.173 0.000 0.992 431 V HN 0.697 nan 8.190 nan 0.000 0.428 432 V N 3.278 122.932 119.914 -0.434 0.000 2.540 432 V HA 0.849 4.969 4.120 -0.000 0.000 0.302 432 V C 0.149 176.002 176.094 -0.400 0.000 1.035 432 V CA -0.511 61.441 62.300 -0.579 0.000 0.873 432 V CB 1.894 33.216 31.823 -0.834 0.000 0.992 432 V HN 1.030 nan 8.190 nan 0.000 0.428 433 A N 4.656 127.317 122.820 -0.265 0.000 2.318 433 A HA 0.884 5.204 4.320 -0.000 0.000 0.317 433 A C -0.947 176.657 177.584 0.033 0.000 1.159 433 A CA -0.510 51.519 52.037 -0.015 0.000 0.799 433 A CB 1.424 20.509 19.000 0.142 0.000 1.194 433 A HN 0.690 nan 8.150 nan 0.000 0.479 434 V N 2.727 122.733 119.914 0.153 0.000 2.588 434 V HA 0.461 4.581 4.120 -0.000 0.000 0.304 434 V C -0.578 175.616 176.094 0.166 0.000 1.042 434 V CA -0.796 61.621 62.300 0.196 0.000 0.877 434 V CB 2.002 34.040 31.823 0.357 0.000 0.996 434 V HN 0.887 nan 8.190 nan 0.000 0.425 435 N N 3.072 121.855 118.700 0.139 0.000 2.626 435 N HA 0.280 5.020 4.740 -0.000 0.000 0.249 435 N C 0.953 176.528 175.510 0.108 0.000 1.021 435 N CA -0.833 52.276 53.050 0.098 0.000 0.886 435 N CB 1.259 39.787 38.487 0.069 0.000 1.149 435 N HN 0.633 nan 8.380 nan 0.000 0.517 436 R N 1.643 122.192 120.500 0.080 0.000 2.237 436 R HA 0.040 4.380 4.340 -0.000 0.000 0.219 436 R C 0.458 176.792 176.300 0.057 0.000 1.080 436 R CA 0.536 56.683 56.100 0.077 0.000 0.995 436 R CB -0.418 29.820 30.300 -0.103 0.000 0.875 436 R HN 0.259 nan 8.270 nan 0.000 0.462 437 N N 1.456 120.180 118.700 0.039 0.000 2.427 437 N HA -0.036 4.704 4.740 -0.000 0.000 0.269 437 N C 0.025 175.564 175.510 0.049 0.000 1.235 437 N CA -0.049 53.022 53.050 0.036 0.000 0.934 437 N CB 0.729 39.234 38.487 0.030 0.000 1.121 437 N HN 0.107 nan 8.380 nan 0.000 0.480 438 L N 3.692 124.945 121.223 0.051 0.000 2.552 438 L HA 0.071 4.411 4.340 -0.000 0.000 0.227 438 L C 0.908 177.803 176.870 0.041 0.000 1.146 438 L CA 0.994 55.866 54.840 0.054 0.000 0.858 438 L CB -0.808 41.287 42.059 0.060 0.000 0.969 438 L HN 0.592 nan 8.230 nan 0.000 0.451 439 N N -1.395 117.326 118.700 0.034 0.000 2.317 439 N HA 0.261 5.001 4.740 -0.000 0.000 0.199 439 N C 0.331 175.857 175.510 0.027 0.000 1.145 439 N CA 0.241 53.308 53.050 0.028 0.000 0.882 439 N CB 0.801 39.302 38.487 0.023 0.000 1.113 439 N HN 0.131 nan 8.380 nan 0.000 0.486 440 A N 1.711 124.548 122.820 0.029 0.000 2.330 440 A HA 0.577 4.897 4.320 -0.000 0.000 0.313 440 A C -2.596 175.004 177.584 0.027 0.000 1.124 440 A CA -1.507 50.546 52.037 0.027 0.000 0.774 440 A CB 1.075 20.091 19.000 0.027 0.000 1.198 440 A HN -0.126 nan 8.150 nan 0.000 0.465 441 P HA 0.512 nan 4.420 nan 0.000 0.276 441 P C -0.468 176.832 177.300 -0.000 0.000 1.261 441 P CA -0.148 62.960 63.100 0.013 0.000 0.800 441 P CB 1.318 33.025 31.700 0.012 0.000 1.066 442 A N 0.565 123.364 122.820 -0.035 0.000 2.386 442 A HA 0.553 4.873 4.320 -0.000 0.000 0.311 442 A C -0.396 177.089 177.584 -0.165 0.000 1.068 442 A CA -0.508 51.489 52.037 -0.066 0.000 0.743 442 A CB 0.976 19.935 19.000 -0.069 0.000 1.258 442 A HN 0.331 nan 8.150 nan 0.000 0.429 443 S N 1.196 116.816 115.700 -0.132 0.000 2.411 443 S HA 0.444 4.914 4.470 -0.000 0.000 0.294 443 S C -0.411 173.991 174.600 -0.329 0.000 1.115 443 S CA -0.069 58.018 58.200 -0.188 0.000 1.071 443 S CB -0.349 62.815 63.200 -0.061 0.000 0.967 443 S HN 0.455 nan 8.310 nan 0.000 0.488 444 I N 4.244 124.408 120.570 -0.677 0.000 2.307 444 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 444 I C 0.196 175.989 176.117 -0.541 0.000 1.021 444 I CA 0.190 60.892 61.300 -0.997 0.000 1.224 444 I CB 0.998 37.985 38.000 -1.688 0.000 1.376 444 I HN 0.532 nan 8.210 nan 0.000 0.470 445 S N 3.273 118.917 115.700 -0.094 0.000 2.548 445 S HA 0.816 5.286 4.470 -0.000 0.000 0.286 445 S C 0.454 175.228 174.600 0.290 0.000 1.098 445 S CA -0.215 58.027 58.200 0.071 0.000 0.930 445 S CB 1.929 65.176 63.200 0.078 0.000 1.070 445 S HN 1.111 nan 8.310 nan 0.000 0.480 446 G N 0.055 108.975 108.800 0.199 0.000 2.157 446 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.248 446 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.248 446 G C -0.214 174.851 174.900 0.275 0.000 0.979 446 G CA 0.055 45.286 45.100 0.218 0.000 0.650 446 G HN 1.212 nan 8.290 nan 0.000 0.529 447 L N 1.430 122.814 121.223 0.268 0.000 2.410 447 L HA 0.637 4.977 4.340 -0.000 0.000 0.273 447 L C 0.162 177.124 176.870 0.154 0.000 1.144 447 L CA -0.334 54.665 54.840 0.265 0.000 0.863 447 L CB 1.323 43.481 42.059 0.166 0.000 1.140 447 L HN 0.138 nan 8.230 nan 0.000 0.463 448 V N 4.904 124.904 119.914 0.144 0.000 2.540 448 V HA 0.747 4.866 4.120 -0.000 0.000 0.302 448 V C 0.210 176.343 176.094 0.065 0.000 1.035 448 V CA 0.029 62.377 62.300 0.081 0.000 0.873 448 V CB 1.807 33.674 31.823 0.073 0.000 0.992 448 V HN 1.012 nan 8.190 nan 0.000 0.428 449 T N 0.362 114.928 114.554 0.019 0.000 2.804 449 T HA 0.397 4.747 4.350 -0.000 0.000 0.290 449 T C 0.351 175.042 174.700 -0.015 0.000 1.099 449 T CA -0.415 61.686 62.100 0.003 0.000 1.011 449 T CB 1.978 70.819 68.868 -0.046 0.000 1.291 449 T HN 0.297 nan 8.240 nan 0.000 0.523 450 S N 0.064 115.755 115.700 -0.016 0.000 2.597 450 S HA 0.342 4.812 4.470 -0.000 0.000 0.224 450 S C 0.452 175.015 174.600 -0.061 0.000 0.955 450 S CA -0.495 57.695 58.200 -0.016 0.000 0.933 450 S CB -0.705 62.508 63.200 0.022 0.000 0.788 450 S HN 0.453 nan 8.310 nan 0.000 0.488 451 L N 2.734 123.885 121.223 -0.120 0.000 2.397 451 L HA 0.312 4.652 4.340 -0.000 0.000 0.271 451 L C -2.335 174.440 176.870 -0.158 0.000 1.148 451 L CA -2.067 52.649 54.840 -0.207 0.000 0.825 451 L CB 0.164 41.946 42.059 -0.463 0.000 1.117 451 L HN -0.058 nan 8.230 nan 0.000 0.456 452 P HA 0.028 nan 4.420 nan 0.000 0.272 452 P C -1.209 176.082 177.300 -0.015 0.000 1.223 452 P CA -0.568 62.421 63.100 -0.184 0.000 0.784 452 P CB 0.405 31.854 31.700 -0.419 0.000 0.923 453 Q N 1.135 120.914 119.800 -0.035 0.000 2.300 453 Q HA 0.426 4.766 4.340 -0.000 0.000 0.280 453 Q C 0.017 176.003 176.000 -0.024 0.000 1.033 453 Q CA 0.119 55.917 55.803 -0.007 0.000 0.903 453 Q CB -0.141 28.582 28.738 -0.026 0.000 1.195 453 Q HN 0.683 nan 8.270 nan 0.000 0.386 454 G N 1.362 110.150 108.800 -0.020 0.000 2.343 454 G HA2 0.152 4.112 3.960 -0.000 0.000 0.289 454 G HA3 0.152 4.112 3.960 -0.000 0.000 0.289 454 G C -1.594 173.198 174.900 -0.180 0.000 1.295 454 G CA -0.468 44.544 45.100 -0.147 0.000 0.869 454 G HN 0.592 nan 8.290 nan 0.000 0.522 455 S N -1.009 114.501 115.700 -0.317 0.000 2.549 455 S HA 0.801 5.270 4.470 -0.000 0.000 0.297 455 S C -1.535 172.799 174.600 -0.444 0.000 1.115 455 S CA -0.369 57.687 58.200 -0.240 0.000 1.059 455 S CB 0.845 63.952 63.200 -0.156 0.000 1.046 455 S HN 0.459 nan 8.310 nan 0.000 0.506 456 Y N 2.319 122.533 120.300 -0.144 0.000 2.338 456 Y HA 0.412 4.962 4.550 -0.000 0.000 0.333 456 Y C 0.266 176.215 175.900 0.082 0.000 0.968 456 Y CA -1.107 56.967 58.100 -0.044 0.000 1.123 456 Y CB 1.071 39.475 38.460 -0.093 0.000 1.165 456 Y HN 0.524 nan 8.280 nan 0.000 0.452 457 N N 1.848 120.692 118.700 0.240 0.000 2.529 457 N HA 0.032 4.772 4.740 -0.000 0.000 0.278 457 N C -0.728 174.980 175.510 0.330 0.000 1.146 457 N CA -0.398 52.786 53.050 0.223 0.000 0.980 457 N CB 0.750 39.300 38.487 0.106 0.000 1.124 457 N HN 0.659 nan 8.380 nan 0.000 0.458 458 D N 1.072 121.620 120.400 0.247 0.000 2.382 458 D HA -0.013 4.627 4.640 -0.000 0.000 0.259 458 D C 0.987 177.268 176.300 -0.032 0.000 1.224 458 D CA -0.136 53.873 54.000 0.016 0.000 0.894 458 D CB 0.648 41.433 40.800 -0.025 0.000 1.127 458 D HN 0.150 nan 8.370 nan 0.000 0.487 459 V N 4.330 124.190 119.914 -0.090 0.000 2.568 459 V HA -0.218 3.902 4.120 -0.000 0.000 0.253 459 V C 2.161 178.214 176.094 -0.069 0.000 1.072 459 V CA 1.320 63.584 62.300 -0.059 0.000 1.084 459 V CB -0.501 31.277 31.823 -0.075 0.000 0.676 459 V HN 0.662 nan 8.190 nan 0.000 0.469 460 L N 0.201 121.364 121.223 -0.101 0.000 2.599 460 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 460 L C 1.759 178.606 176.870 -0.039 0.000 1.141 460 L CA 0.762 55.558 54.840 -0.074 0.000 0.877 460 L CB -0.536 41.467 42.059 -0.094 0.000 1.009 460 L HN 0.522 nan 8.230 nan 0.000 0.447 461 G N 0.091 108.875 108.800 -0.026 0.000 2.225 461 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 461 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 461 G C 0.994 175.897 174.900 0.004 0.000 1.024 461 G CA 0.374 45.473 45.100 -0.002 0.000 0.784 461 G HN 0.683 nan 8.290 nan 0.000 0.507 462 G N -1.879 106.919 108.800 -0.003 0.000 2.159 462 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.256 462 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.256 462 G C 1.188 176.092 174.900 0.007 0.000 0.977 462 G CA 0.949 46.054 45.100 0.008 0.000 0.652 462 G HN 1.509 nan 8.290 nan 0.000 0.531 463 L N 0.042 121.264 121.223 -0.001 0.000 2.043 463 L HA 0.115 4.455 4.340 -0.000 0.000 0.212 463 L C 2.062 178.939 176.870 0.012 0.000 1.075 463 L CA 2.269 57.113 54.840 0.007 0.000 0.752 463 L CB -0.215 41.847 42.059 0.004 0.000 0.891 463 L HN 0.442 nan 8.230 nan 0.000 0.432 464 L N -0.039 121.184 121.223 0.000 0.000 3.073 464 L HA 0.237 4.577 4.340 -0.000 0.000 0.242 464 L C 0.123 177.002 176.870 0.015 0.000 1.317 464 L CA -0.184 54.662 54.840 0.010 0.000 1.081 464 L CB -0.768 41.291 42.059 0.000 0.000 1.456 464 L HN 0.344 nan 8.230 nan 0.000 0.525 465 N N -0.289 118.424 118.700 0.021 0.000 2.735 465 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 465 N C 0.605 176.139 175.510 0.041 0.000 1.083 465 N CA 0.679 53.749 53.050 0.034 0.000 0.703 465 N CB -1.007 37.505 38.487 0.042 0.000 1.005 465 N HN 0.625 nan 8.380 nan 0.000 0.550 466 G N -0.115 108.694 108.800 0.016 0.000 2.588 466 G HA2 0.541 4.501 3.960 -0.000 0.000 0.281 466 G HA3 0.541 4.501 3.960 -0.000 0.000 0.281 466 G C 0.145 175.093 174.900 0.080 0.000 1.236 466 G CA -0.197 44.909 45.100 0.010 0.000 0.969 466 G HN 0.414 nan 8.290 nan 0.000 0.504 467 N N -1.810 116.991 118.700 0.169 0.000 3.157 467 N HA 0.325 5.065 4.740 -0.000 0.000 0.291 467 N C -1.006 174.687 175.510 0.304 0.000 1.515 467 N CA -0.589 52.572 53.050 0.184 0.000 0.807 467 N CB 1.109 39.688 38.487 0.154 0.000 1.672 467 N HN 0.332 nan 8.380 nan 0.000 0.592 468 T N 0.760 115.394 114.554 0.133 0.000 2.910 468 T HA 0.401 4.751 4.350 -0.000 0.000 0.293 468 T C -0.248 174.296 174.700 -0.261 0.000 1.015 468 T CA -0.274 61.862 62.100 0.060 0.000 1.094 468 T CB 0.503 69.368 68.868 -0.004 0.000 0.968 468 T HN 0.360 nan 8.240 nan 0.000 0.521 469 L N 1.960 122.866 121.223 -0.529 0.000 2.346 469 L HA 0.616 4.956 4.340 -0.000 0.000 0.274 469 L C -0.417 176.209 176.870 -0.406 0.000 1.007 469 L CA -0.053 54.251 54.840 -0.892 0.000 0.818 469 L CB 2.160 43.139 42.059 -1.799 0.000 1.284 469 L HN 0.528 nan 8.230 nan 0.000 0.424 470 S N 3.076 118.577 115.700 -0.332 0.000 2.566 470 S HA 0.620 5.089 4.470 -0.000 0.000 0.324 470 S C -0.974 173.555 174.600 -0.118 0.000 1.081 470 S CA -0.479 57.630 58.200 -0.152 0.000 1.105 470 S CB 1.181 64.316 63.200 -0.109 0.000 0.981 470 S HN 0.364 nan 8.310 nan 0.000 0.464 471 V N 3.939 123.827 119.914 -0.043 0.000 2.347 471 V HA 0.599 4.719 4.120 -0.000 0.000 0.280 471 V C 1.056 177.141 176.094 -0.016 0.000 1.021 471 V CA -0.479 61.800 62.300 -0.035 0.000 0.847 471 V CB 1.154 32.967 31.823 -0.016 0.000 0.990 471 V HN 0.876 nan 8.190 nan 0.000 0.444 472 G N 3.607 112.393 108.800 -0.023 0.000 2.531 472 G HA2 0.420 4.380 3.960 -0.000 0.000 0.253 472 G HA3 0.420 4.380 3.960 -0.000 0.000 0.253 472 G C 0.325 175.215 174.900 -0.017 0.000 1.439 472 G CA -0.005 45.085 45.100 -0.017 0.000 1.056 472 G HN 0.824 nan 8.290 nan 0.000 0.555 473 S N -1.745 113.947 115.700 -0.014 0.000 2.593 473 S HA 0.441 4.911 4.470 -0.000 0.000 0.269 473 S C 1.275 175.868 174.600 -0.011 0.000 1.334 473 S CA 0.514 58.705 58.200 -0.014 0.000 1.015 473 S CB 1.025 64.218 63.200 -0.011 0.000 0.912 473 S HN 2.312 nan 8.310 nan 0.000 0.541 474 G N 0.627 109.419 108.800 -0.013 0.000 2.168 474 G HA2 0.060 4.020 3.960 -0.000 0.000 0.263 474 G HA3 0.060 4.020 3.960 -0.000 0.000 0.263 474 G C 1.162 176.055 174.900 -0.010 0.000 0.977 474 G CA 0.500 45.595 45.100 -0.008 0.000 0.659 474 G HN 2.385 nan 8.290 nan 0.000 0.533 475 G N -1.154 107.633 108.800 -0.022 0.000 2.166 475 G HA2 0.130 4.090 3.960 -0.000 0.000 0.260 475 G HA3 0.130 4.090 3.960 -0.000 0.000 0.260 475 G C 0.773 175.658 174.900 -0.025 0.000 0.986 475 G CA 1.297 46.376 45.100 -0.034 0.000 0.683 475 G HN 2.354 nan 8.290 nan 0.000 0.527 476 A N -0.048 122.767 122.820 -0.009 0.000 2.404 476 A HA 0.793 5.113 4.320 -0.000 0.000 0.273 476 A C 0.838 178.418 177.584 -0.006 0.000 1.144 476 A CA 0.908 52.950 52.037 0.008 0.000 0.806 476 A CB 0.498 19.509 19.000 0.018 0.000 1.080 476 A HN 2.021 nan 8.150 nan 0.000 0.509 477 A N 3.075 125.895 122.820 0.000 0.000 2.316 477 A HA 0.615 4.935 4.320 -0.000 0.000 0.284 477 A C 0.839 178.445 177.584 0.036 0.000 1.115 477 A CA 0.062 52.087 52.037 -0.021 0.000 0.812 477 A CB 0.092 19.066 19.000 -0.044 0.000 1.064 477 A HN 1.533 nan 8.150 nan 0.000 0.489 478 S N 2.057 117.771 115.700 0.024 0.000 2.603 478 S HA 0.221 4.691 4.470 -0.000 0.000 0.268 478 S C 0.063 174.748 174.600 0.142 0.000 1.317 478 S CA -0.740 57.493 58.200 0.055 0.000 1.012 478 S CB 0.022 63.236 63.200 0.024 0.000 0.926 478 S HN 0.729 nan 8.310 nan 0.000 0.539 479 N N 0.922 119.678 118.700 0.094 0.000 2.407 479 N HA 0.417 5.157 4.740 -0.000 0.000 0.250 479 N C -0.565 175.039 175.510 0.157 0.000 1.236 479 N CA 0.162 53.245 53.050 0.056 0.000 0.879 479 N CB 0.030 38.520 38.487 0.006 0.000 1.088 479 N HN 0.668 nan 8.380 nan 0.000 0.450 480 F N -2.408 117.490 119.950 -0.087 0.000 2.741 480 F HA 0.535 5.062 4.527 -0.000 0.000 0.313 480 F C -1.036 174.719 175.800 -0.075 0.000 1.153 480 F CA -1.143 56.814 58.000 -0.073 0.000 0.931 480 F CB 0.993 39.945 39.000 -0.080 0.000 1.335 480 F HN 0.083 nan 8.300 nan 0.000 0.460 481 T N 2.810 117.403 114.554 0.066 0.000 2.794 481 T HA 0.551 4.901 4.350 -0.000 0.000 0.280 481 T C -1.303 173.450 174.700 0.088 0.000 0.987 481 T CA -0.333 61.745 62.100 -0.037 0.000 0.993 481 T CB 1.339 70.216 68.868 0.015 0.000 0.939 481 T HN 0.684 nan 8.240 nan 0.000 0.449 482 L N 4.372 125.577 121.223 -0.030 0.000 2.264 482 L HA 0.685 5.025 4.340 -0.000 0.000 0.287 482 L C 0.525 177.425 176.870 0.051 0.000 1.039 482 L CA -0.517 54.370 54.840 0.078 0.000 0.829 482 L CB -0.207 41.851 42.059 -0.001 0.000 1.211 482 L HN 0.803 nan 8.230 nan 0.000 0.427 483 A N 4.348 127.217 122.820 0.081 0.000 2.536 483 A HA 0.467 4.787 4.320 -0.000 0.000 0.234 483 A C 0.617 178.231 177.584 0.051 0.000 1.076 483 A CA 0.308 52.380 52.037 0.059 0.000 0.769 483 A CB -0.172 18.866 19.000 0.064 0.000 1.020 483 A HN 1.148 nan 8.150 nan 0.000 0.508 484 A N 0.446 123.293 122.820 0.044 0.000 2.520 484 A HA 0.488 4.808 4.320 -0.000 0.000 0.245 484 A C 1.649 179.267 177.584 0.056 0.000 1.072 484 A CA 0.709 52.774 52.037 0.046 0.000 0.761 484 A CB -0.959 18.065 19.000 0.040 0.000 1.004 484 A HN 2.786 nan 8.150 nan 0.000 0.499 485 G N 1.927 110.768 108.800 0.068 0.000 2.168 485 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.257 485 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.257 485 G C 0.817 175.764 174.900 0.078 0.000 0.997 485 G CA 0.728 45.878 45.100 0.084 0.000 0.708 485 G HN 1.923 nan 8.290 nan 0.000 0.520 486 G N -0.715 108.128 108.800 0.071 0.000 2.442 486 G HA2 0.567 4.527 3.960 -0.000 0.000 0.249 486 G HA3 0.567 4.527 3.960 -0.000 0.000 0.249 486 G C -0.101 174.832 174.900 0.055 0.000 1.263 486 G CA 0.850 45.988 45.100 0.063 0.000 0.846 486 G HN 0.752 nan 8.290 nan 0.000 0.555 487 T N 0.213 114.774 114.554 0.013 0.000 2.991 487 T HA 0.666 5.016 4.350 -0.000 0.000 0.303 487 T C -0.355 174.256 174.700 -0.148 0.000 1.015 487 T CA -0.046 62.032 62.100 -0.038 0.000 1.007 487 T CB 1.758 70.617 68.868 -0.015 0.000 1.034 487 T HN 1.132 nan 8.240 nan 0.000 0.446 488 A N 2.320 124.950 122.820 -0.318 0.000 2.515 488 A HA 0.898 5.218 4.320 -0.000 0.000 0.298 488 A C -1.348 175.679 177.584 -0.929 0.000 1.059 488 A CA -0.742 50.919 52.037 -0.626 0.000 0.698 488 A CB 1.625 20.169 19.000 -0.759 0.000 1.289 488 A HN 0.675 nan 8.150 nan 0.000 0.404 489 V N 1.862 121.225 119.914 -0.918 0.000 2.531 489 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 489 V C -1.056 174.613 176.094 -0.708 0.000 1.034 489 V CA -0.552 61.318 62.300 -0.718 0.000 0.865 489 V CB 1.466 33.081 31.823 -0.347 0.000 0.995 489 V HN 0.836 nan 8.190 nan 0.000 0.424 490 W N 3.486 124.733 121.300 -0.089 0.000 2.761 490 W HA 0.780 5.440 4.660 -0.000 0.000 0.340 490 W C -0.276 176.200 176.519 -0.072 0.000 1.072 490 W CA -0.618 56.687 57.345 -0.066 0.000 1.215 490 W CB 2.177 31.543 29.460 -0.156 0.000 1.420 490 W HN 0.747 nan 8.180 nan 0.000 0.519 491 Q N 0.921 120.869 119.800 0.246 0.000 2.590 491 Q HA 0.679 5.019 4.340 -0.000 0.000 0.295 491 Q C -2.225 173.970 176.000 0.324 0.000 0.973 491 Q CA -1.119 54.791 55.803 0.178 0.000 0.768 491 Q CB 3.377 32.178 28.738 0.103 0.000 1.479 491 Q HN 0.367 nan 8.270 nan 0.000 0.419 492 Y N 0.462 120.832 120.300 0.118 0.000 2.401 492 Y HA 0.589 5.139 4.550 -0.000 0.000 0.330 492 Y C -1.836 174.117 175.900 0.089 0.000 1.071 492 Y CA -0.101 58.091 58.100 0.154 0.000 1.049 492 Y CB 2.345 40.913 38.460 0.179 0.000 1.239 492 Y HN 0.919 nan 8.280 nan 0.000 0.437 493 T N 2.662 116.847 114.554 -0.615 0.000 2.876 493 T HA 1.002 5.352 4.350 -0.000 0.000 0.289 493 T C -0.809 173.477 174.700 -0.690 0.000 1.014 493 T CA -0.370 61.423 62.100 -0.511 0.000 0.986 493 T CB 1.743 70.482 68.868 -0.214 0.000 1.021 493 T HN 1.300 nan 8.240 nan 0.000 0.458 494 A N 1.406 123.957 122.820 -0.448 0.000 2.612 494 A HA 0.905 5.225 4.320 -0.000 0.000 0.293 494 A C -0.113 177.401 177.584 -0.117 0.000 1.075 494 A CA -0.733 51.144 52.037 -0.266 0.000 0.680 494 A CB 0.801 19.672 19.000 -0.214 0.000 1.279 494 A HN 1.714 nan 8.150 nan 0.000 0.411 495 A N 0.677 123.457 122.820 -0.066 0.000 2.561 495 A HA 0.515 4.835 4.320 -0.000 0.000 0.234 495 A C 0.491 178.054 177.584 -0.034 0.000 1.055 495 A CA 0.923 52.935 52.037 -0.041 0.000 0.756 495 A CB -0.466 18.520 19.000 -0.023 0.000 0.986 495 A HN 1.013 nan 8.150 nan 0.000 0.505 496 T N 2.221 116.748 114.554 -0.046 0.000 2.767 496 T HA 0.491 4.841 4.350 -0.000 0.000 0.284 496 T C 1.252 175.922 174.700 -0.049 0.000 0.973 496 T CA 0.218 62.281 62.100 -0.062 0.000 0.996 496 T CB 1.661 70.463 68.868 -0.111 0.000 0.927 496 T HN 0.873 nan 8.240 nan 0.000 0.456 497 A N 3.008 125.808 122.820 -0.032 0.000 1.943 497 A HA 0.196 4.516 4.320 -0.000 0.000 0.213 497 A C 1.525 179.110 177.584 0.002 0.000 1.181 497 A CA 0.518 52.550 52.037 -0.008 0.000 0.653 497 A CB -0.322 18.680 19.000 0.004 0.000 0.833 497 A HN 0.761 nan 8.150 nan 0.000 0.451 498 T N -1.650 112.895 114.554 -0.015 0.000 2.928 498 T HA 0.555 4.905 4.350 -0.000 0.000 0.284 498 T C -3.124 171.576 174.700 0.000 0.000 1.008 498 T CA -2.388 59.717 62.100 0.009 0.000 1.057 498 T CB 1.262 70.131 68.868 0.003 0.000 1.018 498 T HN -0.040 nan 8.240 nan 0.000 0.493 499 P HA 0.254 nan 4.420 nan 0.000 0.263 499 P C -0.698 176.643 177.300 0.070 0.000 1.195 499 P CA -0.055 63.140 63.100 0.159 0.000 0.762 499 P CB 0.214 32.099 31.700 0.308 0.000 0.799 500 T N 4.568 119.097 114.554 -0.040 0.000 2.906 500 T HA 0.426 4.776 4.350 -0.000 0.000 0.302 500 T C 0.230 174.976 174.700 0.077 0.000 1.002 500 T CA -0.402 61.651 62.100 -0.079 0.000 0.988 500 T CB 0.274 68.901 68.868 -0.400 0.000 0.972 500 T HN 0.187 nan 8.240 nan 0.000 0.447 501 I N 2.589 123.286 120.570 0.211 0.000 2.416 501 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 501 I C 1.392 177.644 176.117 0.225 0.000 1.051 501 I CA 0.126 61.570 61.300 0.240 0.000 1.375 501 I CB 1.146 39.243 38.000 0.161 0.000 1.407 501 I HN 0.867 nan 8.210 nan 0.000 0.516 502 G N 5.126 113.903 108.800 -0.037 0.000 2.743 502 G HA2 0.034 3.994 3.960 -0.000 0.000 0.206 502 G HA3 0.034 3.994 3.960 -0.000 0.000 0.206 502 G C 0.320 175.026 174.900 -0.322 0.000 1.115 502 G CA 0.295 45.124 45.100 -0.452 0.000 0.782 502 G HN 0.623 nan 8.290 nan 0.000 0.524 503 H N -1.026 117.806 119.070 -0.397 0.000 3.094 503 H HA 0.484 5.040 4.556 -0.000 0.000 0.346 503 H C -2.096 173.000 175.328 -0.385 0.000 1.238 503 H CA -0.261 55.650 56.048 -0.229 0.000 1.209 503 H CB 2.192 31.886 29.762 -0.114 0.000 1.911 503 H HN -0.095 nan 8.280 nan 0.000 0.540 504 V N 2.307 121.718 119.914 -0.838 0.000 2.789 504 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 504 V C 0.075 176.016 176.094 -0.257 0.000 1.073 504 V CA -0.121 61.844 62.300 -0.558 0.000 0.921 504 V CB 1.909 33.222 31.823 -0.850 0.000 1.009 504 V HN 0.925 nan 8.190 nan 0.000 0.426 505 G N 4.077 112.902 108.800 0.041 0.000 2.733 505 G HA2 0.662 4.622 3.960 -0.000 0.000 0.297 505 G HA3 0.662 4.622 3.960 -0.000 0.000 0.297 505 G C -3.428 171.585 174.900 0.190 0.000 1.452 505 G CA -0.933 44.286 45.100 0.199 0.000 0.940 505 G HN 0.481 nan 8.290 nan 0.000 0.547 506 P HA 0.191 nan 4.420 nan 0.000 0.274 506 P C 0.610 178.067 177.300 0.263 0.000 1.256 506 P CA -0.380 62.843 63.100 0.205 0.000 0.795 506 P CB 1.114 32.898 31.700 0.140 0.000 1.038 507 M N -0.415 119.261 119.600 0.127 0.000 2.556 507 M HA 0.188 4.668 4.480 -0.000 0.000 0.245 507 M C 0.880 176.924 176.300 -0.427 0.000 1.128 507 M CA 0.759 56.073 55.300 0.023 0.000 1.069 507 M CB -0.458 32.164 32.600 0.036 0.000 1.469 507 M HN 0.461 nan 8.290 nan 0.000 0.494 508 M N 0.394 119.816 119.600 -0.296 0.000 2.277 508 M HA 0.621 5.101 4.480 -0.000 0.000 0.282 508 M C -2.183 174.026 176.300 -0.152 0.000 1.074 508 M CA -0.277 54.801 55.300 -0.370 0.000 0.954 508 M CB 2.465 34.926 32.600 -0.233 0.000 1.672 508 M HN -0.033 nan 8.290 nan 0.000 0.471 509 A N 3.469 126.226 122.820 -0.105 0.000 2.544 509 A HA 0.625 4.945 4.320 -0.000 0.000 0.291 509 A C -1.896 175.713 177.584 0.043 0.000 1.055 509 A CA -0.969 51.079 52.037 0.018 0.000 0.651 509 A CB 1.541 20.603 19.000 0.103 0.000 1.296 509 A HN 0.954 nan 8.150 nan 0.000 0.431 510 K N 0.096 120.514 120.400 0.030 0.000 2.090 510 K HA 0.691 5.011 4.320 -0.000 0.000 0.249 510 K C -2.731 173.877 176.600 0.013 0.000 0.995 510 K CA -1.630 54.669 56.287 0.020 0.000 0.914 510 K CB 0.378 32.882 32.500 0.006 0.000 1.057 510 K HN 0.270 nan 8.250 nan 0.000 0.462 511 P HA -0.023 nan 4.420 nan 0.000 0.265 511 P C 0.483 177.748 177.300 -0.058 0.000 1.187 511 P CA 1.154 64.214 63.100 -0.067 0.000 0.766 511 P CB 0.572 32.225 31.700 -0.079 0.000 0.820 512 G N 0.536 109.286 108.800 -0.084 0.000 2.234 512 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.235 512 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.235 512 G C 0.115 174.991 174.900 -0.041 0.000 0.997 512 G CA -0.110 44.952 45.100 -0.062 0.000 0.623 512 G HN 0.545 nan 8.290 nan 0.000 0.514 513 V N 2.066 121.968 119.914 -0.020 0.000 2.775 513 V HA 0.505 4.625 4.120 -0.000 0.000 0.299 513 V C 0.968 177.064 176.094 0.002 0.000 1.062 513 V CA 0.583 62.886 62.300 0.004 0.000 1.063 513 V CB 1.509 33.356 31.823 0.040 0.000 0.994 513 V HN 0.313 nan 8.190 nan 0.000 0.483 514 T N 6.083 120.639 114.554 0.003 0.000 2.806 514 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 514 T C -0.094 174.622 174.700 0.026 0.000 0.966 514 T CA -0.040 62.060 62.100 0.001 0.000 1.060 514 T CB 0.511 69.373 68.868 -0.011 0.000 0.927 514 T HN 0.618 nan 8.240 nan 0.000 0.485 515 I N -0.025 120.558 120.570 0.022 0.000 2.750 515 I HA 0.741 4.911 4.170 -0.000 0.000 0.308 515 I C -0.540 175.564 176.117 -0.022 0.000 1.016 515 I CA -0.777 60.540 61.300 0.028 0.000 1.098 515 I CB 2.215 40.222 38.000 0.013 0.000 1.279 515 I HN 0.335 nan 8.210 nan 0.000 0.454 516 T N 5.810 120.355 114.554 -0.014 0.000 2.779 516 T HA 0.587 4.937 4.350 -0.000 0.000 0.280 516 T C -0.215 174.435 174.700 -0.084 0.000 0.987 516 T CA -0.195 61.881 62.100 -0.039 0.000 0.966 516 T CB 1.004 69.877 68.868 0.008 0.000 0.933 516 T HN 0.388 nan 8.240 nan 0.000 0.442 517 I N 3.516 123.993 120.570 -0.156 0.000 2.355 517 I HA 0.341 4.511 4.170 -0.000 0.000 0.288 517 I C -0.383 175.692 176.117 -0.071 0.000 0.999 517 I CA -0.735 60.440 61.300 -0.210 0.000 1.163 517 I CB 1.256 39.032 38.000 -0.373 0.000 1.316 517 I HN 0.467 nan 8.210 nan 0.000 0.454 518 D N 4.718 125.104 120.400 -0.022 0.000 2.198 518 D HA 0.779 5.419 4.640 -0.000 0.000 0.247 518 D C 0.240 176.483 176.300 -0.094 0.000 1.010 518 D CA 0.008 54.007 54.000 -0.001 0.000 0.880 518 D CB 2.514 43.282 40.800 -0.054 0.000 1.209 518 D HN 0.764 nan 8.370 nan 0.000 0.451 519 G N 0.615 109.308 108.800 -0.178 0.000 2.441 519 G HA2 0.300 4.260 3.960 -0.000 0.000 0.225 519 G HA3 0.300 4.260 3.960 -0.000 0.000 0.225 519 G C -1.373 173.258 174.900 -0.447 0.000 1.200 519 G CA -0.641 44.273 45.100 -0.310 0.000 0.947 519 G HN 0.305 nan 8.290 nan 0.000 0.484 520 R N -0.969 119.194 120.500 -0.562 0.000 2.707 520 R HA 0.624 4.964 4.340 -0.000 0.000 0.272 520 R C 0.458 176.410 176.300 -0.580 0.000 1.011 520 R CA -0.046 55.773 56.100 -0.468 0.000 0.893 520 R CB 1.320 31.567 30.300 -0.087 0.000 1.233 520 R HN 2.272 nan 8.270 nan 0.000 0.464 521 G N 0.954 109.538 108.800 -0.360 0.000 2.137 521 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.237 521 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.237 521 G C 0.204 175.117 174.900 0.021 0.000 1.002 521 G CA 0.136 45.147 45.100 -0.149 0.000 0.702 521 G HN 0.434 nan 8.290 nan 0.000 0.515 522 F N 0.995 120.953 119.950 0.014 0.000 2.456 522 F HA 0.398 4.925 4.527 -0.000 0.000 0.298 522 F C 2.065 178.087 175.800 0.370 0.000 1.104 522 F CA 1.083 59.114 58.000 0.051 0.000 1.435 522 F CB -0.631 38.154 39.000 -0.359 0.000 1.078 522 F HN 1.137 nan 8.300 nan 0.000 0.546 523 G N -0.116 108.931 108.800 0.412 0.000 2.796 523 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.571 523 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.571 523 G C 0.638 175.806 174.900 0.447 0.000 1.370 523 G CA -0.128 45.185 45.100 0.355 0.000 0.856 523 G HN 0.284 nan 8.290 nan 0.000 0.538 524 S N -1.074 114.784 115.700 0.264 0.000 2.517 524 S HA 0.427 4.897 4.470 -0.000 0.000 0.214 524 S C 0.984 175.653 174.600 0.116 0.000 0.991 524 S CA 0.948 59.287 58.200 0.231 0.000 0.906 524 S CB 0.337 63.611 63.200 0.124 0.000 0.789 524 S HN 1.687 nan 8.310 nan 0.000 0.513 525 S N 1.668 117.334 115.700 -0.056 0.000 2.489 525 S HA 0.468 4.937 4.470 -0.000 0.000 0.291 525 S C -0.489 173.613 174.600 -0.830 0.000 1.151 525 S CA -0.990 57.040 58.200 -0.283 0.000 1.082 525 S CB 1.194 64.279 63.200 -0.191 0.000 1.019 525 S HN 0.162 nan 8.310 nan 0.000 0.492 526 K N 1.356 121.247 120.400 -0.847 0.000 2.530 526 K HA 0.149 4.469 4.320 -0.000 0.000 0.280 526 K C 0.893 176.728 176.600 -1.275 0.000 1.004 526 K CA 0.381 55.929 56.287 -1.231 0.000 1.071 526 K CB 0.137 32.339 32.500 -0.497 0.000 0.876 526 K HN 0.835 nan 8.250 nan 0.000 0.487 527 G N 1.789 109.389 108.800 -2.000 0.000 3.194 527 G HA2 0.349 4.309 3.960 -0.000 0.000 0.160 527 G HA3 0.349 4.309 3.960 -0.000 0.000 0.160 527 G C -0.775 173.899 174.900 -0.377 0.000 1.267 527 G CA -0.223 44.341 45.100 -0.893 0.000 0.962 527 G HN 0.516 nan 8.290 nan 0.000 0.612 528 T N -0.599 113.934 114.554 -0.034 0.000 2.900 528 T HA 0.584 4.933 4.350 -0.000 0.000 0.295 528 T C -1.124 173.581 174.700 0.009 0.000 1.044 528 T CA -0.277 61.779 62.100 -0.073 0.000 0.995 528 T CB 2.215 70.961 68.868 -0.204 0.000 1.072 528 T HN 0.301 nan 8.240 nan 0.000 0.473 529 V N 2.457 122.298 119.914 -0.121 0.000 2.555 529 V HA 0.530 4.650 4.120 -0.000 0.000 0.302 529 V C -1.452 174.515 176.094 -0.211 0.000 1.038 529 V CA -0.835 61.413 62.300 -0.087 0.000 0.887 529 V CB 1.397 33.204 31.823 -0.027 0.000 0.991 529 V HN 0.829 nan 8.190 nan 0.000 0.434 530 Y N 3.586 123.853 120.300 -0.056 0.000 2.364 530 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 530 Y C -0.508 175.315 175.900 -0.127 0.000 0.975 530 Y CA -0.726 57.380 58.100 0.011 0.000 1.089 530 Y CB 1.753 40.221 38.460 0.013 0.000 1.192 530 Y HN 0.511 nan 8.280 nan 0.000 0.454 531 F N 2.597 122.605 119.950 0.097 0.000 2.311 531 F HA 0.538 5.065 4.527 -0.000 0.000 0.371 531 F C 0.923 176.859 175.800 0.227 0.000 1.083 531 F CA -0.352 57.675 58.000 0.046 0.000 1.113 531 F CB 0.888 39.772 39.000 -0.194 0.000 1.349 531 F HN 0.796 nan 8.300 nan 0.000 0.470 532 G N 2.352 111.403 108.800 0.417 0.000 2.557 532 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.292 532 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.292 532 G C 1.107 176.178 174.900 0.286 0.000 1.162 532 G CA 0.562 45.900 45.100 0.396 0.000 0.964 532 G HN 0.725 nan 8.290 nan 0.000 0.541 533 T N -1.906 112.816 114.554 0.280 0.000 3.022 533 T HA 0.419 4.769 4.350 -0.000 0.000 0.250 533 T C 1.080 175.956 174.700 0.292 0.000 1.060 533 T CA 1.396 63.639 62.100 0.239 0.000 1.013 533 T CB 0.201 69.166 68.868 0.161 0.000 0.982 533 T HN 0.763 nan 8.240 nan 0.000 0.508 534 T N 3.371 118.085 114.554 0.267 0.000 2.834 534 T HA 0.583 4.933 4.350 -0.000 0.000 0.298 534 T C 0.237 175.029 174.700 0.152 0.000 0.966 534 T CA -0.282 61.923 62.100 0.175 0.000 1.141 534 T CB 0.608 69.533 68.868 0.096 0.000 0.905 534 T HN 0.553 nan 8.240 nan 0.000 0.535 535 A N 3.543 126.376 122.820 0.022 0.000 2.306 535 A HA 0.724 5.044 4.320 -0.000 0.000 0.314 535 A C -0.445 177.035 177.584 -0.174 0.000 1.164 535 A CA -0.593 51.290 52.037 -0.257 0.000 0.822 535 A CB 0.840 19.670 19.000 -0.283 0.000 1.130 535 A HN 0.669 nan 8.150 nan 0.000 0.496 536 V N 1.899 121.685 119.914 -0.213 0.000 2.638 536 V HA 0.759 4.879 4.120 -0.000 0.000 0.306 536 V C -0.036 175.985 176.094 -0.123 0.000 1.052 536 V CA 0.209 62.440 62.300 -0.114 0.000 0.885 536 V CB 1.805 33.608 31.823 -0.033 0.000 0.999 536 V HN 1.412 nan 8.190 nan 0.000 0.424 537 S N 2.452 118.094 115.700 -0.097 0.000 2.643 537 S HA 0.942 5.412 4.470 -0.000 0.000 0.270 537 S C 0.108 174.663 174.600 -0.076 0.000 1.166 537 S CA 0.229 58.373 58.200 -0.094 0.000 0.815 537 S CB 1.421 64.548 63.200 -0.122 0.000 1.139 537 S HN 2.278 nan 8.310 nan 0.000 0.472 538 G N 1.394 110.145 108.800 -0.083 0.000 2.527 538 G HA2 0.052 4.012 3.960 -0.000 0.000 0.268 538 G HA3 0.052 4.012 3.960 -0.000 0.000 0.268 538 G C 1.119 175.990 174.900 -0.047 0.000 1.175 538 G CA 1.144 46.203 45.100 -0.068 0.000 0.962 538 G HN 2.006 nan 8.290 nan 0.000 0.560 539 A N -0.980 121.815 122.820 -0.042 0.000 1.940 539 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 539 A C 1.960 179.527 177.584 -0.029 0.000 1.176 539 A CA 2.656 54.674 52.037 -0.033 0.000 0.631 539 A CB -0.582 18.398 19.000 -0.032 0.000 0.814 539 A HN 0.670 nan 8.150 nan 0.000 0.446 540 D N -0.427 119.951 120.400 -0.038 0.000 2.310 540 D HA -0.004 4.636 4.640 -0.000 0.000 0.212 540 D C 0.468 176.755 176.300 -0.021 0.000 0.965 540 D CA 0.551 54.526 54.000 -0.041 0.000 0.879 540 D CB -0.183 40.578 40.800 -0.066 0.000 0.921 540 D HN 0.447 nan 8.370 nan 0.000 0.510 541 I N 1.708 122.277 120.570 -0.001 0.000 2.278 541 I HA -0.025 4.145 4.170 -0.000 0.000 0.296 541 I C 1.698 177.838 176.117 0.038 0.000 1.121 541 I CA -0.046 61.278 61.300 0.040 0.000 1.267 541 I CB 0.943 38.997 38.000 0.089 0.000 1.447 541 I HN -0.077 nan 8.210 nan 0.000 0.509 542 T N 1.070 115.637 114.554 0.022 0.000 2.962 542 T HA -0.035 4.315 4.350 -0.000 0.000 0.270 542 T C 0.669 175.390 174.700 0.035 0.000 1.088 542 T CA 0.691 62.801 62.100 0.016 0.000 1.127 542 T CB -0.016 68.852 68.868 -0.001 0.000 0.883 542 T HN 0.589 nan 8.240 nan 0.000 0.493 543 S N -0.934 114.803 115.700 0.062 0.000 2.543 543 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 543 S C -2.046 172.651 174.600 0.162 0.000 1.149 543 S CA -1.058 57.196 58.200 0.089 0.000 0.866 543 S CB 1.477 64.703 63.200 0.043 0.000 1.111 543 S HN 0.488 nan 8.310 nan 0.000 0.457 544 W N 3.564 124.849 121.300 -0.025 0.000 3.211 544 W HA 0.595 5.255 4.660 -0.000 0.000 0.335 544 W C -1.491 175.043 176.519 0.026 0.000 1.113 544 W CA -0.475 56.859 57.345 -0.019 0.000 1.235 544 W CB 1.691 31.127 29.460 -0.039 0.000 1.365 544 W HN 1.177 nan 8.180 nan 0.000 0.476 545 E N 1.764 122.024 120.200 0.099 0.000 2.445 545 E HA 0.240 4.590 4.350 -0.000 0.000 0.279 545 E C -0.154 176.523 176.600 0.129 0.000 1.018 545 E CA -0.605 55.911 56.400 0.192 0.000 0.816 545 E CB 1.689 31.460 29.700 0.120 0.000 1.356 545 E HN 0.124 nan 8.360 nan 0.000 0.462 546 D N 0.009 120.497 120.400 0.147 0.000 2.170 546 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 546 D C 1.627 177.855 176.300 -0.120 0.000 1.004 546 D CA 2.858 56.900 54.000 0.069 0.000 0.860 546 D CB 0.094 40.911 40.800 0.029 0.000 0.931 546 D HN 0.600 nan 8.370 nan 0.000 0.448 547 T N -3.757 110.759 114.554 -0.063 0.000 3.023 547 T HA 0.154 4.504 4.350 -0.000 0.000 0.253 547 T C 0.545 175.269 174.700 0.041 0.000 1.038 547 T CA -0.433 61.586 62.100 -0.136 0.000 0.962 547 T CB 0.485 69.309 68.868 -0.073 0.000 1.018 547 T HN 0.135 nan 8.240 nan 0.000 0.521 548 Q N 0.055 119.938 119.800 0.140 0.000 2.353 548 Q HA 0.653 4.993 4.340 -0.000 0.000 0.275 548 Q C -2.159 173.772 176.000 -0.115 0.000 1.029 548 Q CA -0.890 54.952 55.803 0.065 0.000 0.848 548 Q CB 2.124 30.862 28.738 -0.001 0.000 1.390 548 Q HN 0.459 nan 8.270 nan 0.000 0.401 549 I N 2.388 122.804 120.570 -0.258 0.000 2.582 549 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 549 I C -0.968 175.034 176.117 -0.191 0.000 1.066 549 I CA -0.758 60.324 61.300 -0.363 0.000 1.053 549 I CB 2.351 39.903 38.000 -0.746 0.000 1.241 549 I HN 0.379 nan 8.210 nan 0.000 0.421 550 K N 4.808 125.152 120.400 -0.093 0.000 2.358 550 K HA 0.745 5.065 4.320 -0.000 0.000 0.260 550 K C -1.485 175.099 176.600 -0.028 0.000 0.956 550 K CA -0.616 55.639 56.287 -0.054 0.000 0.834 550 K CB 2.804 35.288 32.500 -0.027 0.000 1.102 550 K HN 0.344 nan 8.250 nan 0.000 0.431 551 V N 2.892 122.790 119.914 -0.027 0.000 2.971 551 V HA 0.401 4.521 4.120 -0.000 0.000 0.309 551 V C -1.548 174.541 176.094 -0.009 0.000 1.130 551 V CA -0.905 61.395 62.300 -0.000 0.000 0.964 551 V CB 2.052 33.895 31.823 0.033 0.000 1.029 551 V HN 0.653 nan 8.190 nan 0.000 0.427 552 K N 5.313 125.688 120.400 -0.042 0.000 2.249 552 K HA 0.541 4.861 4.320 -0.000 0.000 0.280 552 K C -0.408 176.072 176.600 -0.201 0.000 1.033 552 K CA -0.233 56.002 56.287 -0.086 0.000 0.946 552 K CB 1.230 33.679 32.500 -0.084 0.000 1.005 552 K HN 0.612 nan 8.250 nan 0.000 0.469 553 I N 6.197 126.623 120.570 -0.240 0.000 2.517 553 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 553 I C -1.653 174.177 176.117 -0.479 0.000 1.106 553 I CA -1.789 59.207 61.300 -0.506 0.000 1.402 553 I CB 0.207 38.069 38.000 -0.229 0.000 1.399 553 I HN 0.395 nan 8.210 nan 0.000 0.535 554 P HA 0.015 nan 4.420 nan 0.000 0.270 554 P C -0.592 176.526 177.300 -0.303 0.000 1.223 554 P CA -0.472 62.379 63.100 -0.415 0.000 0.785 554 P CB 0.682 32.118 31.700 -0.440 0.000 0.923 555 A N 2.305 125.014 122.820 -0.186 0.000 2.906 555 A HA 0.411 4.731 4.320 -0.000 0.000 0.289 555 A C 0.564 178.086 177.584 -0.103 0.000 1.675 555 A CA -0.319 51.645 52.037 -0.121 0.000 1.372 555 A CB -1.349 17.605 19.000 -0.077 0.000 1.091 555 A HN 0.387 nan 8.150 nan 0.000 0.579 556 V N -0.898 118.939 119.914 -0.128 0.000 2.994 556 V HA 0.890 5.010 4.120 -0.000 0.000 0.318 556 V C 0.640 176.748 176.094 0.023 0.000 1.085 556 V CA -0.885 61.373 62.300 -0.070 0.000 0.998 556 V CB 0.942 32.647 31.823 -0.197 0.000 1.063 556 V HN 1.035 nan 8.190 nan 0.000 0.447 557 A N 1.489 124.381 122.820 0.119 0.000 2.520 557 A HA 0.549 4.869 4.320 -0.000 0.000 0.235 557 A C 0.997 178.711 177.584 0.216 0.000 1.065 557 A CA 0.467 52.590 52.037 0.144 0.000 0.764 557 A CB -0.530 18.559 19.000 0.149 0.000 1.002 557 A HN 2.021 nan 8.150 nan 0.000 0.502 558 G N 0.038 108.928 108.800 0.150 0.000 2.484 558 G HA2 0.569 4.529 3.960 -0.000 0.000 0.235 558 G HA3 0.569 4.529 3.960 -0.000 0.000 0.235 558 G C 0.474 175.504 174.900 0.217 0.000 1.282 558 G CA 0.596 45.795 45.100 0.165 0.000 0.857 558 G HN 1.999 nan 8.290 nan 0.000 0.571 559 G N 0.505 109.461 108.800 0.259 0.000 2.343 559 G HA2 0.244 4.204 3.960 -0.000 0.000 0.289 559 G HA3 0.244 4.204 3.960 -0.000 0.000 0.289 559 G C -1.304 173.687 174.900 0.151 0.000 1.295 559 G CA -0.930 44.248 45.100 0.130 0.000 0.869 559 G HN 0.793 nan 8.290 nan 0.000 0.522 560 N N -0.500 118.158 118.700 -0.070 0.000 2.419 560 N HA 0.715 5.455 4.740 -0.000 0.000 0.277 560 N C -1.436 173.981 175.510 -0.155 0.000 1.006 560 N CA -0.174 52.877 53.050 0.002 0.000 0.923 560 N CB 0.864 39.337 38.487 -0.024 0.000 1.140 560 N HN 0.436 nan 8.380 nan 0.000 0.488 561 Y N 0.737 121.167 120.300 0.217 0.000 2.536 561 Y HA 0.449 4.999 4.550 -0.000 0.000 0.347 561 Y C -0.082 175.934 175.900 0.194 0.000 1.000 561 Y CA -1.066 57.168 58.100 0.225 0.000 1.051 561 Y CB 1.392 40.046 38.460 0.323 0.000 1.259 561 Y HN 0.422 nan 8.280 nan 0.000 0.468 562 N N 1.866 120.724 118.700 0.264 0.000 2.498 562 N HA 0.498 5.237 4.740 -0.000 0.000 0.287 562 N C -1.074 174.497 175.510 0.101 0.000 1.097 562 N CA -0.292 52.856 53.050 0.163 0.000 0.973 562 N CB 1.204 39.749 38.487 0.096 0.000 1.153 562 N HN 0.525 nan 8.380 nan 0.000 0.472 563 I N 0.961 121.553 120.570 0.035 0.000 2.441 563 I HA 0.381 4.551 4.170 -0.000 0.000 0.295 563 I C 0.186 176.270 176.117 -0.054 0.000 0.994 563 I CA -0.563 60.643 61.300 -0.158 0.000 1.144 563 I CB 1.683 39.452 38.000 -0.385 0.000 1.314 563 I HN 0.203 nan 8.210 nan 0.000 0.445 564 K N 5.016 125.385 120.400 -0.051 0.000 2.508 564 K HA 0.777 5.097 4.320 -0.000 0.000 0.260 564 K C -1.584 175.060 176.600 0.075 0.000 0.949 564 K CA -0.661 55.638 56.287 0.020 0.000 0.834 564 K CB 2.886 35.394 32.500 0.013 0.000 1.365 564 K HN 0.428 nan 8.250 nan 0.000 0.437 565 V N -1.061 118.896 119.914 0.071 0.000 2.962 565 V HA 0.984 5.104 4.120 -0.000 0.000 0.313 565 V C -1.450 174.770 176.094 0.210 0.000 1.099 565 V CA -0.701 61.663 62.300 0.106 0.000 0.971 565 V CB 1.650 33.371 31.823 -0.170 0.000 1.028 565 V HN 0.858 nan 8.190 nan 0.000 0.430 566 A N 2.955 125.962 122.820 0.311 0.000 2.374 566 A HA 0.810 5.130 4.320 -0.000 0.000 0.305 566 A C -0.200 177.577 177.584 0.322 0.000 1.053 566 A CA -0.615 51.590 52.037 0.281 0.000 0.726 566 A CB 1.111 20.286 19.000 0.293 0.000 1.229 566 A HN 1.403 nan 8.150 nan 0.000 0.431 567 N N 1.800 120.679 118.700 0.300 0.000 2.255 567 N HA 0.324 5.064 4.740 -0.000 0.000 0.253 567 N C 1.232 176.776 175.510 0.056 0.000 1.313 567 N CA 0.242 53.472 53.050 0.299 0.000 0.912 567 N CB 0.127 38.794 38.487 0.299 0.000 1.145 567 N HN 0.661 nan 8.380 nan 0.000 0.511 568 A N -0.906 121.879 122.820 -0.058 0.000 1.978 568 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 568 A C 2.070 179.631 177.584 -0.039 0.000 1.170 568 A CA 2.081 54.045 52.037 -0.121 0.000 0.636 568 A CB -1.438 17.468 19.000 -0.156 0.000 0.810 568 A HN 0.881 nan 8.150 nan 0.000 0.448 569 A N -2.018 120.806 122.820 0.008 0.000 2.206 569 A HA 0.392 4.712 4.320 -0.000 0.000 0.211 569 A C 1.825 179.427 177.584 0.031 0.000 1.158 569 A CA 1.280 53.327 52.037 0.018 0.000 0.761 569 A CB -0.855 18.162 19.000 0.029 0.000 0.801 569 A HN 1.898 nan 8.150 nan 0.000 0.473 570 G N -1.810 107.019 108.800 0.048 0.000 2.157 570 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.239 570 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.239 570 G C 0.325 175.270 174.900 0.075 0.000 0.982 570 G CA 0.318 45.457 45.100 0.065 0.000 0.650 570 G HN 0.553 nan 8.290 nan 0.000 0.527 571 T N 1.697 116.301 114.554 0.083 0.000 2.761 571 T HA 0.606 4.956 4.350 -0.000 0.000 0.296 571 T C 0.775 175.536 174.700 0.102 0.000 0.934 571 T CA 0.651 62.798 62.100 0.078 0.000 1.091 571 T CB 1.329 70.241 68.868 0.073 0.000 0.896 571 T HN 1.220 nan 8.240 nan 0.000 0.515 572 A N 3.707 126.569 122.820 0.071 0.000 2.322 572 A HA 0.657 4.976 4.320 -0.000 0.000 0.269 572 A C 0.858 178.484 177.584 0.070 0.000 1.094 572 A CA -0.694 51.384 52.037 0.068 0.000 0.807 572 A CB 0.346 19.349 19.000 0.006 0.000 1.047 572 A HN 0.865 nan 8.150 nan 0.000 0.487 573 S N 1.563 117.313 115.700 0.084 0.000 2.690 573 S HA 0.408 4.878 4.470 -0.000 0.000 0.285 573 S C 0.259 174.891 174.600 0.053 0.000 1.135 573 S CA -0.550 57.702 58.200 0.086 0.000 1.020 573 S CB 0.245 63.526 63.200 0.135 0.000 1.159 573 S HN 0.919 nan 8.310 nan 0.000 0.534 574 N N -0.264 118.471 118.700 0.058 0.000 2.381 574 N HA 0.216 4.956 4.740 -0.000 0.000 0.254 574 N C -0.653 174.897 175.510 0.067 0.000 1.264 574 N CA -0.511 52.569 53.050 0.050 0.000 0.942 574 N CB 0.107 38.627 38.487 0.054 0.000 1.190 574 N HN 0.437 nan 8.380 nan 0.000 0.495 575 V N 0.671 120.619 119.914 0.057 0.000 2.481 575 V HA 0.167 4.287 4.120 -0.000 0.000 0.286 575 V C -0.786 175.371 176.094 0.105 0.000 1.042 575 V CA -0.663 61.676 62.300 0.066 0.000 0.928 575 V CB 0.234 32.076 31.823 0.031 0.000 0.986 575 V HN 0.641 nan 8.190 nan 0.000 0.462 576 Y N 5.192 125.489 120.300 -0.006 0.000 2.341 576 Y HA 0.518 5.068 4.550 -0.000 0.000 0.337 576 Y C 0.070 175.981 175.900 0.019 0.000 1.014 576 Y CA -0.870 57.231 58.100 0.001 0.000 1.111 576 Y CB 1.131 39.575 38.460 -0.027 0.000 1.194 576 Y HN 0.828 nan 8.280 nan 0.000 0.462 577 D N 2.721 123.035 120.400 -0.142 0.000 2.467 577 D HA 0.225 4.865 4.640 -0.000 0.000 0.245 577 D C -0.521 175.784 176.300 0.008 0.000 1.038 577 D CA -0.885 53.108 54.000 -0.011 0.000 1.038 577 D CB 1.538 42.307 40.800 -0.051 0.000 1.278 577 D HN 0.613 nan 8.370 nan 0.000 0.564 578 N N -1.598 117.148 118.700 0.078 0.000 2.862 578 N HA -0.210 4.530 4.740 -0.000 0.000 0.248 578 N C -1.491 174.112 175.510 0.155 0.000 1.116 578 N CA 0.103 53.197 53.050 0.073 0.000 0.727 578 N CB -1.981 36.506 38.487 -0.000 0.000 1.083 578 N HN 0.445 nan 8.380 nan 0.000 0.555 579 F N 1.639 121.682 119.950 0.155 0.000 2.420 579 F HA 0.405 4.932 4.527 -0.000 0.000 0.352 579 F C 0.634 176.557 175.800 0.204 0.000 1.108 579 F CA -0.480 57.632 58.000 0.187 0.000 1.162 579 F CB 0.789 39.910 39.000 0.201 0.000 1.118 579 F HN 0.130 nan 8.300 nan 0.000 0.510 580 E N 5.696 125.504 120.200 -0.654 0.000 2.109 580 E HA 0.368 4.717 4.350 -0.000 0.000 0.278 580 E C -1.514 174.906 176.600 -0.300 0.000 0.954 580 E CA -0.686 55.536 56.400 -0.296 0.000 0.779 580 E CB 1.324 30.904 29.700 -0.200 0.000 1.093 580 E HN 0.506 nan 8.360 nan 0.000 0.401 581 V N 6.737 126.724 119.914 0.123 0.000 2.364 581 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 581 V C 0.518 176.668 176.094 0.094 0.000 1.036 581 V CA -0.415 61.990 62.300 0.174 0.000 0.880 581 V CB 0.749 32.710 31.823 0.230 0.000 0.991 581 V HN 0.701 nan 8.190 nan 0.000 0.460 582 L N 3.471 124.714 121.223 0.033 0.000 2.472 582 L HA 0.211 4.551 4.340 -0.000 0.000 0.260 582 L C 1.575 178.465 176.870 0.033 0.000 1.209 582 L CA 0.083 54.935 54.840 0.019 0.000 0.817 582 L CB 0.657 42.712 42.059 -0.007 0.000 1.106 582 L HN 0.598 nan 8.230 nan 0.000 0.479 583 S N -0.315 115.401 115.700 0.027 0.000 2.496 583 S HA 0.217 4.687 4.470 -0.000 0.000 0.224 583 S C 0.436 175.045 174.600 0.015 0.000 0.996 583 S CA 0.623 58.839 58.200 0.026 0.000 0.927 583 S CB 0.199 63.413 63.200 0.023 0.000 0.774 583 S HN 0.919 nan 8.310 nan 0.000 0.524 584 G N 0.267 109.073 108.800 0.010 0.000 2.336 584 G HA2 0.183 4.143 3.960 -0.000 0.000 0.286 584 G HA3 0.183 4.143 3.960 -0.000 0.000 0.286 584 G C -2.234 172.667 174.900 0.001 0.000 1.269 584 G CA -0.898 44.204 45.100 0.005 0.000 0.873 584 G HN 0.052 nan 8.290 nan 0.000 0.494 585 D N 0.803 121.203 120.400 0.001 0.000 2.368 585 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 585 D C 0.078 176.379 176.300 0.001 0.000 1.169 585 D CA 0.456 54.454 54.000 -0.004 0.000 0.906 585 D CB 0.814 41.612 40.800 -0.003 0.000 1.187 585 D HN 0.266 nan 8.370 nan 0.000 0.435 586 Q N 0.128 119.924 119.800 -0.007 0.000 2.297 586 Q HA 0.593 4.933 4.340 -0.000 0.000 0.268 586 Q C -0.303 175.712 176.000 0.024 0.000 1.045 586 Q CA -0.996 54.811 55.803 0.007 0.000 0.861 586 Q CB 2.337 31.068 28.738 -0.012 0.000 1.344 586 Q HN 0.337 nan 8.270 nan 0.000 0.452 587 V N -2.436 117.514 119.914 0.060 0.000 3.007 587 V HA 0.660 4.780 4.120 -0.000 0.000 0.311 587 V C -0.410 175.764 176.094 0.135 0.000 1.120 587 V CA -0.946 61.411 62.300 0.096 0.000 0.980 587 V CB 2.005 33.891 31.823 0.105 0.000 1.033 587 V HN 0.673 nan 8.190 nan 0.000 0.429 588 S N 1.620 117.431 115.700 0.184 0.000 2.422 588 S HA 0.732 5.202 4.470 -0.000 0.000 0.298 588 S C -0.610 174.120 174.600 0.216 0.000 1.118 588 S CA -0.318 58.027 58.200 0.242 0.000 1.083 588 S CB 0.633 64.084 63.200 0.418 0.000 0.971 588 S HN 0.824 nan 8.310 nan 0.000 0.478 589 V N 6.141 126.171 119.914 0.195 0.000 2.604 589 V HA 0.527 4.646 4.120 -0.000 0.000 0.305 589 V C 0.086 176.220 176.094 0.067 0.000 1.043 589 V CA -0.986 61.358 62.300 0.073 0.000 0.888 589 V CB 1.892 33.703 31.823 -0.019 0.000 0.995 589 V HN 0.843 nan 8.190 nan 0.000 0.429 590 R N 3.566 124.057 120.500 -0.015 0.000 2.254 590 R HA 0.513 4.853 4.340 -0.000 0.000 0.318 590 R C -1.597 174.637 176.300 -0.109 0.000 1.031 590 R CA -0.272 55.873 56.100 0.075 0.000 0.905 590 R CB 0.608 30.983 30.300 0.125 0.000 1.050 590 R HN 0.484 nan 8.270 nan 0.000 0.456 591 F N 3.872 123.831 119.950 0.016 0.000 2.420 591 F HA 0.409 4.936 4.527 -0.000 0.000 0.342 591 F C -0.294 175.544 175.800 0.064 0.000 1.113 591 F CA -0.574 57.422 58.000 -0.007 0.000 1.059 591 F CB 2.081 41.092 39.000 0.019 0.000 1.128 591 F HN 0.126 nan 8.300 nan 0.000 0.475 592 V N 4.238 124.224 119.914 0.120 0.000 2.577 592 V HA 0.497 4.617 4.120 -0.000 0.000 0.303 592 V C -1.025 175.012 176.094 -0.095 0.000 1.042 592 V CA -0.912 61.348 62.300 -0.067 0.000 0.872 592 V CB 1.907 33.497 31.823 -0.388 0.000 0.998 592 V HN 0.516 nan 8.190 nan 0.000 0.423 593 V N 5.815 125.604 119.914 -0.208 0.000 2.409 593 V HA 0.561 4.681 4.120 -0.000 0.000 0.291 593 V C -0.225 175.805 176.094 -0.106 0.000 1.020 593 V CA -0.395 61.687 62.300 -0.363 0.000 0.848 593 V CB 1.632 32.828 31.823 -1.045 0.000 0.990 593 V HN 0.951 nan 8.190 nan 0.000 0.430 594 N N 5.382 124.058 118.700 -0.040 0.000 2.508 594 N HA 0.310 5.050 4.740 -0.000 0.000 0.285 594 N C -0.321 175.219 175.510 0.050 0.000 1.144 594 N CA -0.321 52.740 53.050 0.019 0.000 0.978 594 N CB 0.605 39.105 38.487 0.022 0.000 1.180 594 N HN 0.807 nan 8.380 nan 0.000 0.484 595 N N -0.628 118.076 118.700 0.007 0.000 2.688 595 N HA -0.199 4.541 4.740 -0.000 0.000 0.258 595 N C -0.963 174.509 175.510 -0.064 0.000 1.016 595 N CA 0.403 53.432 53.050 -0.035 0.000 0.747 595 N CB -1.252 37.241 38.487 0.009 0.000 0.895 595 N HN 0.617 nan 8.380 nan 0.000 0.543 596 A N 0.471 123.224 122.820 -0.112 0.000 2.654 596 A HA 0.459 4.779 4.320 -0.000 0.000 0.345 596 A C 0.810 178.252 177.584 -0.238 0.000 1.368 596 A CA -0.359 51.446 52.037 -0.388 0.000 0.895 596 A CB 0.246 18.984 19.000 -0.436 0.000 1.143 596 A HN 0.335 nan 8.150 nan 0.000 0.490 597 T N 0.495 114.894 114.554 -0.259 0.000 2.884 597 T HA 0.579 4.929 4.350 -0.000 0.000 0.298 597 T C 0.398 175.136 174.700 0.064 0.000 0.998 597 T CA 0.245 62.340 62.100 -0.008 0.000 1.124 597 T CB 0.882 69.749 68.868 -0.003 0.000 0.931 597 T HN 0.824 nan 8.240 nan 0.000 0.531 598 T N -0.602 114.163 114.554 0.352 0.000 2.888 598 T HA 0.804 5.154 4.350 -0.000 0.000 0.288 598 T C -0.292 174.486 174.700 0.131 0.000 1.063 598 T CA -0.987 61.218 62.100 0.176 0.000 1.010 598 T CB 1.448 70.465 68.868 0.249 0.000 1.214 598 T HN 1.049 nan 8.240 nan 0.000 0.533 599 A N 0.831 123.690 122.820 0.066 0.000 2.306 599 A HA 0.715 5.035 4.320 -0.000 0.000 0.330 599 A C 0.135 177.736 177.584 0.028 0.000 1.146 599 A CA -0.974 51.085 52.037 0.037 0.000 0.827 599 A CB 0.334 19.351 19.000 0.028 0.000 1.178 599 A HN 0.959 nan 8.150 nan 0.000 0.490 600 L N 1.287 122.511 121.223 0.003 0.000 2.578 600 L HA 0.242 4.582 4.340 -0.000 0.000 0.279 600 L C 1.530 178.414 176.870 0.022 0.000 1.227 600 L CA 1.791 56.629 54.840 -0.003 0.000 0.900 600 L CB 0.311 42.361 42.059 -0.015 0.000 1.144 600 L HN 1.306 nan 8.230 nan 0.000 0.496 601 G N 2.513 111.336 108.800 0.038 0.000 2.217 601 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 601 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 601 G C 0.240 175.184 174.900 0.073 0.000 0.990 601 G CA 0.171 45.302 45.100 0.052 0.000 0.627 601 G HN 0.590 nan 8.290 nan 0.000 0.522 602 Q N 0.867 120.712 119.800 0.076 0.000 2.278 602 Q HA 0.528 4.868 4.340 -0.000 0.000 0.257 602 Q C -0.563 175.504 176.000 0.111 0.000 0.928 602 Q CA -0.621 55.227 55.803 0.075 0.000 0.932 602 Q CB 0.432 29.194 28.738 0.040 0.000 1.221 602 Q HN 0.397 nan 8.270 nan 0.000 0.434 603 N N 1.839 120.596 118.700 0.095 0.000 2.362 603 N HA 0.410 5.150 4.740 -0.000 0.000 0.299 603 N C -1.196 174.138 175.510 -0.294 0.000 1.170 603 N CA -0.444 52.589 53.050 -0.029 0.000 0.825 603 N CB 2.106 40.620 38.487 0.045 0.000 1.299 603 N HN 0.287 nan 8.380 nan 0.000 0.502 604 V N 1.925 121.268 119.914 -0.951 0.000 2.567 604 V HA 0.399 4.519 4.120 -0.000 0.000 0.289 604 V C -0.844 174.977 176.094 -0.456 0.000 1.049 604 V CA -0.122 61.727 62.300 -0.752 0.000 0.969 604 V CB 0.340 31.340 31.823 -1.372 0.000 0.995 604 V HN 0.520 nan 8.190 nan 0.000 0.471 605 Y N 3.483 123.672 120.300 -0.185 0.000 2.665 605 Y HA 0.776 5.326 4.550 -0.000 0.000 0.336 605 Y C -0.329 175.534 175.900 -0.062 0.000 1.085 605 Y CA -1.124 56.885 58.100 -0.153 0.000 1.096 605 Y CB 1.872 40.221 38.460 -0.185 0.000 1.301 605 Y HN 0.534 nan 8.280 nan 0.000 0.493 606 L N 0.369 121.578 121.223 -0.024 0.000 2.381 606 L HA 0.906 5.246 4.340 -0.000 0.000 0.268 606 L C -0.743 175.971 176.870 -0.261 0.000 0.997 606 L CA 0.001 54.675 54.840 -0.277 0.000 0.818 606 L CB 2.356 44.124 42.059 -0.485 0.000 1.310 606 L HN 0.663 nan 8.230 nan 0.000 0.416 607 T N 2.118 116.502 114.554 -0.282 0.000 2.843 607 T HA 0.924 5.274 4.350 -0.000 0.000 0.302 607 T C -0.770 173.685 174.700 -0.408 0.000 1.232 607 T CA -0.004 61.946 62.100 -0.249 0.000 1.009 607 T CB 1.529 70.341 68.868 -0.093 0.000 1.254 607 T HN 1.191 nan 8.240 nan 0.000 0.504 608 G N 0.176 108.541 108.800 -0.725 0.000 2.548 608 G HA2 0.431 4.391 3.960 -0.000 0.000 0.301 608 G HA3 0.431 4.391 3.960 -0.000 0.000 0.301 608 G C 0.652 174.716 174.900 -1.393 0.000 1.349 608 G CA 0.262 44.694 45.100 -1.114 0.000 0.792 608 G HN 1.051 nan 8.290 nan 0.000 0.481 609 S N -1.614 113.573 115.700 -0.855 0.000 2.595 609 S HA 0.183 4.652 4.470 -0.000 0.000 0.235 609 S C 0.981 175.491 174.600 -0.151 0.000 0.974 609 S CA 1.048 59.054 58.200 -0.323 0.000 0.942 609 S CB -0.899 62.390 63.200 0.149 0.000 0.766 609 S HN 1.743 nan 8.310 nan 0.000 0.536 610 V N -1.263 118.543 119.914 -0.179 0.000 2.960 610 V HA 0.683 4.803 4.120 -0.000 0.000 0.315 610 V C 1.232 177.272 176.094 -0.089 0.000 1.087 610 V CA -0.403 61.851 62.300 -0.077 0.000 0.982 610 V CB 1.218 33.023 31.823 -0.030 0.000 1.039 610 V HN 0.215 nan 8.190 nan 0.000 0.437 611 S N 0.164 115.845 115.700 -0.033 0.000 2.399 611 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 611 S C 1.306 175.886 174.600 -0.033 0.000 1.022 611 S CA 1.571 59.757 58.200 -0.023 0.000 0.983 611 S CB -0.635 62.576 63.200 0.019 0.000 0.803 611 S HN 0.891 nan 8.310 nan 0.000 0.480 612 E N 0.500 120.684 120.200 -0.027 0.000 2.401 612 E HA 0.107 4.457 4.350 -0.000 0.000 0.199 612 E C 0.886 177.454 176.600 -0.054 0.000 1.023 612 E CA 0.432 56.819 56.400 -0.022 0.000 0.859 612 E CB -0.123 29.579 29.700 0.004 0.000 0.780 612 E HN 0.352 nan 8.360 nan 0.000 0.523 613 L N -1.606 119.556 121.223 -0.102 0.000 2.906 613 L HA 0.361 4.701 4.340 -0.000 0.000 0.255 613 L C 1.269 178.032 176.870 -0.178 0.000 1.166 613 L CA 0.704 55.440 54.840 -0.172 0.000 0.977 613 L CB 0.610 42.520 42.059 -0.249 0.000 1.313 613 L HN 0.172 nan 8.230 nan 0.000 0.549 614 G N -0.253 108.476 108.800 -0.119 0.000 2.195 614 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 614 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 614 G C 0.663 175.520 174.900 -0.072 0.000 0.984 614 G CA 0.101 45.151 45.100 -0.082 0.000 0.633 614 G HN 0.223 nan 8.290 nan 0.000 0.525 615 N N -1.108 117.495 118.700 -0.161 0.000 2.738 615 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 615 N C 0.850 176.397 175.510 0.062 0.000 1.047 615 N CA 1.866 54.841 53.050 -0.125 0.000 0.707 615 N CB -1.743 36.751 38.487 0.012 0.000 0.937 615 N HN 1.342 nan 8.380 nan 0.000 0.545 616 W N -2.918 118.448 121.300 0.109 0.000 2.323 616 W HA -0.261 4.399 4.660 -0.000 0.000 0.261 616 W C 0.365 177.011 176.519 0.211 0.000 1.029 616 W CA 0.446 57.910 57.345 0.199 0.000 0.499 616 W CB -1.407 28.146 29.460 0.155 0.000 2.045 616 W HN 0.272 nan 8.180 nan 0.000 1.374 617 D N 0.603 121.158 120.400 0.258 0.000 2.365 617 D HA 0.180 4.820 4.640 -0.000 0.000 0.237 617 D C -0.978 175.372 176.300 0.084 0.000 1.190 617 D CA -2.007 52.094 54.000 0.170 0.000 0.867 617 D CB 1.182 42.037 40.800 0.091 0.000 1.050 617 D HN -0.172 nan 8.370 nan 0.000 0.491 618 P HA -0.103 nan 4.420 nan 0.000 0.218 618 P C 0.906 178.130 177.300 -0.128 0.000 1.148 618 P CA 1.029 64.070 63.100 -0.098 0.000 0.822 618 P CB 0.185 31.819 31.700 -0.111 0.000 0.784 619 A N -0.431 122.353 122.820 -0.059 0.000 2.172 619 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 619 A C 1.691 179.241 177.584 -0.056 0.000 1.154 619 A CA 1.328 53.326 52.037 -0.065 0.000 0.701 619 A CB -0.737 18.247 19.000 -0.027 0.000 0.789 619 A HN 0.214 nan 8.150 nan 0.000 0.465 620 K N -0.595 119.779 120.400 -0.044 0.000 2.469 620 K HA 0.400 4.720 4.320 -0.000 0.000 0.204 620 K C 0.274 176.852 176.600 -0.037 0.000 1.047 620 K CA 0.173 56.441 56.287 -0.030 0.000 1.072 620 K CB 0.750 33.239 32.500 -0.018 0.000 0.863 620 K HN 0.351 nan 8.250 nan 0.000 0.530 621 A N 1.626 124.408 122.820 -0.063 0.000 2.466 621 A HA 0.215 4.535 4.320 -0.000 0.000 0.238 621 A C 0.273 177.887 177.584 0.050 0.000 1.074 621 A CA -0.142 51.868 52.037 -0.046 0.000 0.774 621 A CB 0.139 19.080 19.000 -0.098 0.000 1.015 621 A HN 0.140 nan 8.150 nan 0.000 0.498 622 I N 1.627 122.195 120.570 -0.002 0.000 2.416 622 I HA 0.556 4.725 4.170 -0.000 0.000 0.288 622 I C 0.975 176.999 176.117 -0.155 0.000 1.051 622 I CA 1.192 62.475 61.300 -0.028 0.000 1.375 622 I CB -0.340 37.617 38.000 -0.072 0.000 1.407 622 I HN 0.990 nan 8.210 nan 0.000 0.516 623 G N 8.300 116.913 108.800 -0.312 0.000 2.339 623 G HA2 0.139 4.098 3.960 -0.000 0.000 0.275 623 G HA3 0.139 4.098 3.960 -0.000 0.000 0.275 623 G C -3.171 171.410 174.900 -0.531 0.000 1.323 623 G CA -0.764 43.846 45.100 -0.816 0.000 0.927 623 G HN 0.428 nan 8.290 nan 0.000 0.486 624 P HA 0.371 nan 4.420 nan 0.000 0.272 624 P C 0.206 177.031 177.300 -0.791 0.000 1.223 624 P CA -0.074 62.395 63.100 -1.051 0.000 0.784 624 P CB 0.544 31.927 31.700 -0.528 0.000 0.923 625 M N 1.244 120.466 119.600 -0.630 0.000 2.198 625 M HA 0.172 4.652 4.480 -0.000 0.000 0.315 625 M C 0.164 176.483 176.300 0.032 0.000 1.134 625 M CA 0.211 55.255 55.300 -0.426 0.000 1.171 625 M CB -0.107 32.462 32.600 -0.052 0.000 1.413 625 M HN 0.262 nan 8.290 nan 0.000 0.467 626 Y N 1.232 121.500 120.300 -0.053 0.000 2.354 626 Y HA 0.264 4.814 4.550 -0.000 0.000 0.322 626 Y C 0.640 176.360 175.900 -0.299 0.000 1.253 626 Y CA -1.321 56.618 58.100 -0.268 0.000 1.272 626 Y CB 0.517 38.605 38.460 -0.619 0.000 1.255 626 Y HN 0.704 nan 8.280 nan 0.000 0.500 627 N N -1.396 117.265 118.700 -0.066 0.000 2.330 627 N HA 0.105 4.845 4.740 -0.000 0.000 0.249 627 N C -0.386 175.097 175.510 -0.045 0.000 1.413 627 N CA -0.117 52.838 53.050 -0.157 0.000 0.817 627 N CB -0.098 37.879 38.487 -0.850 0.000 1.362 627 N HN 0.652 nan 8.380 nan 0.000 0.499 628 Q N -0.341 119.493 119.800 0.058 0.000 2.627 628 Q HA 0.321 4.661 4.340 -0.000 0.000 0.201 628 Q C 1.243 177.244 176.000 0.001 0.000 0.912 628 Q CA 0.528 56.328 55.803 -0.005 0.000 0.877 628 Q CB 0.482 29.189 28.738 -0.053 0.000 1.125 628 Q HN 0.074 nan 8.270 nan 0.000 0.637 629 V N 0.552 120.474 119.914 0.014 0.000 2.251 629 V HA -0.180 3.940 4.120 -0.000 0.000 0.233 629 V C 2.177 178.129 176.094 -0.238 0.000 1.041 629 V CA 1.523 63.769 62.300 -0.089 0.000 1.000 629 V CB -0.733 31.042 31.823 -0.081 0.000 0.643 629 V HN 0.167 nan 8.190 nan 0.000 0.460 630 V N -1.542 118.090 119.914 -0.470 0.000 2.332 630 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 630 V C 0.723 176.276 176.094 -0.900 0.000 1.055 630 V CA 1.708 63.509 62.300 -0.832 0.000 1.038 630 V CB -0.731 30.439 31.823 -1.089 0.000 0.651 630 V HN 0.528 nan 8.190 nan 0.000 0.450 631 Y N -0.509 119.447 120.300 -0.573 0.000 2.512 631 Y HA 0.616 5.166 4.550 -0.000 0.000 0.348 631 Y C -0.205 175.665 175.900 -0.049 0.000 0.990 631 Y CA -1.564 56.403 58.100 -0.222 0.000 1.033 631 Y CB 1.518 39.901 38.460 -0.128 0.000 1.259 631 Y HN 0.082 nan 8.280 nan 0.000 0.461 632 Q N 1.611 121.457 119.800 0.077 0.000 2.309 632 Q HA 0.277 4.617 4.340 -0.000 0.000 0.264 632 Q C -1.010 174.989 176.000 -0.002 0.000 1.008 632 Q CA -1.134 54.685 55.803 0.027 0.000 0.853 632 Q CB 2.054 30.787 28.738 -0.009 0.000 1.314 632 Q HN 0.817 nan 8.270 nan 0.000 0.448 633 Y N 3.976 124.145 120.300 -0.218 0.000 2.993 633 Y HA -0.084 4.466 4.550 -0.000 0.000 0.340 633 Y C -1.358 174.480 175.900 -0.104 0.000 1.273 633 Y CA -0.248 57.679 58.100 -0.289 0.000 1.545 633 Y CB 0.559 38.804 38.460 -0.358 0.000 1.275 633 Y HN 0.494 nan 8.280 nan 0.000 0.617 634 P HA 0.096 nan 4.420 nan 0.000 0.244 634 P C -1.226 175.900 177.300 -0.290 0.000 1.632 634 P CA 0.170 62.558 63.100 -1.187 0.000 0.944 634 P CB -0.095 30.992 31.700 -1.022 0.000 1.569 635 N N 0.551 119.156 118.700 -0.158 0.000 2.421 635 N HA 0.263 5.003 4.740 -0.000 0.000 0.285 635 N C -0.789 174.771 175.510 0.083 0.000 1.027 635 N CA -0.062 53.020 53.050 0.052 0.000 0.918 635 N CB 0.735 39.273 38.487 0.086 0.000 1.152 635 N HN 0.041 nan 8.380 nan 0.000 0.485 636 W N 1.925 123.226 121.300 0.002 0.000 2.706 636 W HA 0.499 5.159 4.660 -0.000 0.000 0.346 636 W C -0.263 176.313 176.519 0.096 0.000 1.071 636 W CA -0.655 56.730 57.345 0.068 0.000 1.206 636 W CB 0.616 30.063 29.460 -0.023 0.000 1.413 636 W HN 0.420 nan 8.180 nan 0.000 0.542 637 Y N -0.294 120.152 120.300 0.244 0.000 2.597 637 Y HA 0.787 5.337 4.550 -0.000 0.000 0.340 637 Y C -2.097 174.007 175.900 0.339 0.000 1.097 637 Y CA -2.452 55.744 58.100 0.159 0.000 1.037 637 Y CB 1.537 39.988 38.460 -0.014 0.000 1.305 637 Y HN 0.466 nan 8.280 nan 0.000 0.463 638 Y N 0.749 121.128 120.300 0.132 0.000 2.521 638 Y HA 0.353 4.903 4.550 -0.000 0.000 0.326 638 Y C -1.875 174.157 175.900 0.220 0.000 1.176 638 Y CA -1.546 56.565 58.100 0.019 0.000 1.079 638 Y CB 1.814 40.217 38.460 -0.097 0.000 1.341 638 Y HN 0.796 nan 8.280 nan 0.000 0.456 639 D N 3.936 124.244 120.400 -0.154 0.000 2.317 639 D HA 0.522 5.162 4.640 -0.000 0.000 0.234 639 D C -0.837 175.497 176.300 0.057 0.000 1.112 639 D CA 0.137 54.180 54.000 0.073 0.000 0.840 639 D CB 1.732 42.626 40.800 0.157 0.000 1.078 639 D HN 0.197 nan 8.370 nan 0.000 0.486 640 V N 1.153 121.209 119.914 0.236 0.000 2.680 640 V HA 0.353 4.473 4.120 -0.000 0.000 0.309 640 V C 0.286 176.510 176.094 0.217 0.000 1.052 640 V CA -0.901 61.532 62.300 0.221 0.000 0.908 640 V CB 2.174 34.113 31.823 0.193 0.000 1.001 640 V HN 0.449 nan 8.190 nan 0.000 0.431 641 S N 2.994 118.783 115.700 0.149 0.000 2.430 641 S HA 0.652 5.122 4.470 -0.000 0.000 0.289 641 S C -0.546 174.121 174.600 0.111 0.000 1.143 641 S CA -0.441 57.826 58.200 0.112 0.000 1.067 641 S CB 0.440 63.671 63.200 0.052 0.000 0.964 641 S HN 1.000 nan 8.310 nan 0.000 0.485 642 V N 3.183 123.179 119.914 0.136 0.000 2.962 642 V HA 0.805 4.925 4.120 -0.000 0.000 0.313 642 V C -2.830 173.315 176.094 0.086 0.000 1.099 642 V CA -2.900 59.479 62.300 0.132 0.000 0.971 642 V CB 1.674 33.645 31.823 0.247 0.000 1.028 642 V HN 0.658 nan 8.190 nan 0.000 0.430 643 P HA 0.215 nan 4.420 nan 0.000 0.267 643 P C 0.021 177.333 177.300 0.019 0.000 1.205 643 P CA 0.581 63.697 63.100 0.026 0.000 0.765 643 P CB 0.676 32.385 31.700 0.014 0.000 0.828 644 A N 3.485 126.316 122.820 0.018 0.000 2.462 644 A HA 0.438 4.758 4.320 -0.000 0.000 0.243 644 A C 1.612 179.191 177.584 -0.008 0.000 1.076 644 A CA 0.577 52.622 52.037 0.015 0.000 0.773 644 A CB -1.203 17.808 19.000 0.019 0.000 1.010 644 A HN 0.859 nan 8.150 nan 0.000 0.493 645 G N 1.301 110.089 108.800 -0.020 0.000 2.189 645 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 645 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 645 G C 0.346 175.208 174.900 -0.064 0.000 0.975 645 G CA 0.956 46.035 45.100 -0.035 0.000 0.644 645 G HN 0.825 nan 8.290 nan 0.000 0.537 646 K N 0.779 121.127 120.400 -0.087 0.000 2.144 646 K HA 0.453 4.773 4.320 -0.000 0.000 0.270 646 K C -0.033 176.452 176.600 -0.190 0.000 1.005 646 K CA -0.153 56.075 56.287 -0.098 0.000 0.932 646 K CB 0.897 33.359 32.500 -0.062 0.000 1.021 646 K HN 0.097 nan 8.250 nan 0.000 0.462 647 T N 3.410 117.886 114.554 -0.129 0.000 2.743 647 T HA 0.394 4.744 4.350 -0.000 0.000 0.293 647 T C 0.153 174.806 174.700 -0.078 0.000 0.945 647 T CA -0.328 61.688 62.100 -0.141 0.000 1.030 647 T CB 0.148 68.989 68.868 -0.044 0.000 0.912 647 T HN 0.315 nan 8.240 nan 0.000 0.483 648 I N 2.482 122.999 120.570 -0.088 0.000 2.608 648 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 648 I C 0.183 176.530 176.117 0.383 0.000 1.049 648 I CA -0.856 60.519 61.300 0.124 0.000 1.063 648 I CB 2.374 40.467 38.000 0.155 0.000 1.248 648 I HN 0.480 nan 8.210 nan 0.000 0.424 649 E N 4.998 125.414 120.200 0.361 0.000 2.191 649 E HA 0.633 4.983 4.350 -0.000 0.000 0.274 649 E C -1.456 175.419 176.600 0.457 0.000 0.948 649 E CA -0.543 56.110 56.400 0.422 0.000 0.802 649 E CB 2.109 32.077 29.700 0.445 0.000 1.137 649 E HN 0.404 nan 8.360 nan 0.000 0.397 650 F N 0.031 120.168 119.950 0.311 0.000 2.685 650 F HA 0.743 5.270 4.527 -0.000 0.000 0.315 650 F C -1.008 174.970 175.800 0.297 0.000 1.126 650 F CA -1.111 56.959 58.000 0.116 0.000 0.950 650 F CB 1.451 40.431 39.000 -0.034 0.000 1.360 650 F HN 0.192 nan 8.300 nan 0.000 0.469 651 K N 0.177 120.758 120.400 0.302 0.000 2.579 651 K HA 0.665 4.985 4.320 -0.000 0.000 0.284 651 K C -2.130 174.452 176.600 -0.031 0.000 0.990 651 K CA -0.608 55.841 56.287 0.271 0.000 0.880 651 K CB 2.341 35.133 32.500 0.488 0.000 1.488 651 K HN 0.587 nan 8.250 nan 0.000 0.425 652 F N 1.482 121.555 119.950 0.204 0.000 2.541 652 F HA 0.656 5.183 4.527 -0.000 0.000 0.331 652 F C -0.378 175.494 175.800 0.121 0.000 1.057 652 F CA -0.769 57.334 58.000 0.171 0.000 0.975 652 F CB 1.178 40.360 39.000 0.304 0.000 1.246 652 F HN 0.160 nan 8.300 nan 0.000 0.484 653 L N -0.017 121.401 121.223 0.326 0.000 2.415 653 L HA 0.635 4.975 4.340 -0.000 0.000 0.256 653 L C -1.361 175.610 176.870 0.168 0.000 1.010 653 L CA -1.179 53.751 54.840 0.149 0.000 0.826 653 L CB 2.091 43.928 42.059 -0.370 0.000 1.405 653 L HN 0.386 nan 8.230 nan 0.000 0.410 654 K N 1.215 121.668 120.400 0.089 0.000 2.274 654 K HA 0.603 4.923 4.320 -0.000 0.000 0.262 654 K C -1.162 175.410 176.600 -0.047 0.000 0.961 654 K CA -0.678 55.587 56.287 -0.037 0.000 0.833 654 K CB 1.991 34.421 32.500 -0.117 0.000 1.102 654 K HN 0.442 nan 8.250 nan 0.000 0.436 655 K N 2.310 122.698 120.400 -0.020 0.000 2.345 655 K HA 0.236 4.556 4.320 -0.000 0.000 0.255 655 K C -1.195 175.396 176.600 -0.015 0.000 0.934 655 K CA -0.715 55.504 56.287 -0.113 0.000 0.801 655 K CB 2.155 34.392 32.500 -0.437 0.000 1.137 655 K HN 0.431 nan 8.250 nan 0.000 0.424 656 Q N 1.899 121.680 119.800 -0.032 0.000 2.303 656 Q HA 0.383 4.723 4.340 -0.000 0.000 0.267 656 Q C 0.114 176.105 176.000 -0.015 0.000 1.011 656 Q CA -0.005 55.799 55.803 0.002 0.000 0.740 656 Q CB 1.491 30.236 28.738 0.011 0.000 1.250 656 Q HN 0.835 nan 8.270 nan 0.000 0.458 657 G N 2.266 111.062 108.800 -0.007 0.000 2.583 657 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.292 657 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.292 657 G C 0.455 175.325 174.900 -0.051 0.000 1.203 657 G CA 0.446 45.537 45.100 -0.015 0.000 0.987 657 G HN 1.166 nan 8.290 nan 0.000 0.554 658 S N -0.909 114.765 115.700 -0.044 0.000 2.572 658 S HA 0.466 4.936 4.470 -0.000 0.000 0.228 658 S C 0.631 175.199 174.600 -0.053 0.000 0.963 658 S CA 1.074 59.237 58.200 -0.061 0.000 0.939 658 S CB 0.468 63.645 63.200 -0.039 0.000 0.804 658 S HN 0.896 nan 8.310 nan 0.000 0.480 659 T N 2.529 117.057 114.554 -0.042 0.000 2.749 659 T HA 0.509 4.859 4.350 -0.000 0.000 0.295 659 T C -0.567 174.105 174.700 -0.047 0.000 0.936 659 T CA -0.218 61.868 62.100 -0.023 0.000 1.060 659 T CB 1.312 70.177 68.868 -0.005 0.000 0.904 659 T HN 0.257 nan 8.240 nan 0.000 0.500 660 V N 4.192 124.084 119.914 -0.038 0.000 2.680 660 V HA 0.712 4.832 4.120 -0.000 0.000 0.309 660 V C -0.510 175.577 176.094 -0.013 0.000 1.052 660 V CA -0.348 61.899 62.300 -0.088 0.000 0.908 660 V CB 2.395 34.098 31.823 -0.201 0.000 1.001 660 V HN 0.906 nan 8.190 nan 0.000 0.431 661 T N 6.221 120.761 114.554 -0.024 0.000 2.809 661 T HA 0.456 4.806 4.350 -0.000 0.000 0.284 661 T C -1.015 173.775 174.700 0.149 0.000 0.992 661 T CA -0.031 62.143 62.100 0.123 0.000 0.957 661 T CB 0.739 69.698 68.868 0.152 0.000 0.942 661 T HN 0.683 nan 8.240 nan 0.000 0.439 662 W N 1.849 123.246 121.300 0.161 0.000 2.303 662 W HA 0.387 5.047 4.660 -0.000 0.000 0.334 662 W C 0.946 177.495 176.519 0.049 0.000 1.197 662 W CA -0.733 56.680 57.345 0.113 0.000 1.262 662 W CB 0.464 29.938 29.460 0.023 0.000 1.153 662 W HN 0.570 nan 8.180 nan 0.000 0.596 663 E N 0.989 121.206 120.200 0.028 0.000 2.373 663 E HA 0.268 4.618 4.350 -0.000 0.000 0.267 663 E C 0.629 177.110 176.600 -0.199 0.000 1.032 663 E CA -0.098 55.928 56.400 -0.624 0.000 0.889 663 E CB 0.665 29.893 29.700 -0.785 0.000 0.984 663 E HN 0.633 nan 8.360 nan 0.000 0.425 664 G N 1.675 110.342 108.800 -0.220 0.000 2.563 664 G HA2 0.519 4.479 3.960 -0.000 0.000 0.283 664 G HA3 0.519 4.479 3.960 -0.000 0.000 0.283 664 G C 0.310 175.104 174.900 -0.175 0.000 1.309 664 G CA 0.108 45.139 45.100 -0.114 0.000 1.022 664 G HN 0.879 nan 8.290 nan 0.000 0.501 665 G N -1.121 107.595 108.800 -0.140 0.000 2.584 665 G HA2 0.174 4.134 3.960 -0.000 0.000 0.229 665 G HA3 0.174 4.134 3.960 -0.000 0.000 0.229 665 G C 0.170 174.954 174.900 -0.192 0.000 1.320 665 G CA 0.281 45.286 45.100 -0.158 0.000 0.891 665 G HN 1.817 nan 8.290 nan 0.000 0.573 666 S N 0.306 115.877 115.700 -0.216 0.000 2.681 666 S HA 0.669 5.139 4.470 -0.000 0.000 0.299 666 S C 0.079 174.501 174.600 -0.296 0.000 1.113 666 S CA -0.838 57.232 58.200 -0.217 0.000 1.013 666 S CB 1.443 64.547 63.200 -0.160 0.000 1.076 666 S HN 0.861 nan 8.310 nan 0.000 0.534 667 N N 2.115 120.684 118.700 -0.219 0.000 2.407 667 N HA 0.049 4.788 4.740 -0.000 0.000 0.250 667 N C -0.046 175.286 175.510 -0.295 0.000 1.236 667 N CA 0.435 53.380 53.050 -0.175 0.000 0.879 667 N CB -0.084 38.429 38.487 0.044 0.000 1.088 667 N HN 0.588 nan 8.380 nan 0.000 0.450 668 H N 0.393 119.261 119.070 -0.337 0.000 2.546 668 H HA 0.362 4.918 4.556 -0.000 0.000 0.365 668 H C 0.121 175.221 175.328 -0.381 0.000 1.220 668 H CA 0.318 56.071 56.048 -0.491 0.000 1.386 668 H CB 0.922 30.050 29.762 -1.056 0.000 1.510 668 H HN 0.358 nan 8.280 nan 0.000 0.591 669 T N 1.899 116.500 114.554 0.079 0.000 2.900 669 T HA 0.481 4.831 4.350 -0.000 0.000 0.303 669 T C -1.080 173.959 174.700 0.565 0.000 1.142 669 T CA -0.727 61.561 62.100 0.314 0.000 1.007 669 T CB 1.546 70.526 68.868 0.188 0.000 1.156 669 T HN 0.538 nan 8.240 nan 0.000 0.490 670 F N -0.974 119.175 119.950 0.332 0.000 2.769 670 F HA 0.647 5.174 4.527 -0.000 0.000 0.313 670 F C -1.687 174.218 175.800 0.176 0.000 1.146 670 F CA -0.813 57.339 58.000 0.254 0.000 0.934 670 F CB 0.711 39.894 39.000 0.304 0.000 1.283 670 F HN 0.437 nan 8.300 nan 0.000 0.443 671 T N 3.090 117.461 114.554 -0.305 0.000 2.770 671 T HA 0.760 5.110 4.350 -0.000 0.000 0.283 671 T C 0.042 174.476 174.700 -0.443 0.000 0.988 671 T CA -0.074 61.782 62.100 -0.408 0.000 0.957 671 T CB 1.129 69.927 68.868 -0.117 0.000 0.930 671 T HN 0.951 nan 8.240 nan 0.000 0.443 672 A N 6.082 128.562 122.820 -0.567 0.000 2.445 672 A HA 0.527 4.847 4.320 -0.000 0.000 0.242 672 A C -1.938 175.634 177.584 -0.020 0.000 1.075 672 A CA -1.132 50.803 52.037 -0.170 0.000 0.777 672 A CB -0.284 18.658 19.000 -0.097 0.000 1.013 672 A HN 0.521 nan 8.150 nan 0.000 0.493 673 P HA 0.131 nan 4.420 nan 0.000 0.272 673 P C 0.372 177.696 177.300 0.040 0.000 1.240 673 P CA -0.136 62.998 63.100 0.056 0.000 0.791 673 P CB 0.727 32.475 31.700 0.080 0.000 0.978 674 S N -1.003 114.717 115.700 0.034 0.000 2.496 674 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 674 S C 0.929 175.550 174.600 0.035 0.000 0.996 674 S CA 0.470 58.686 58.200 0.026 0.000 0.927 674 S CB -0.372 62.840 63.200 0.021 0.000 0.774 674 S HN 0.813 nan 8.310 nan 0.000 0.524 675 S N -1.067 114.662 115.700 0.048 0.000 2.643 675 S HA 0.619 5.088 4.470 -0.000 0.000 0.266 675 S C -0.087 174.559 174.600 0.077 0.000 1.130 675 S CA -0.423 57.812 58.200 0.058 0.000 0.817 675 S CB 0.589 63.817 63.200 0.047 0.000 1.107 675 S HN 1.194 nan 8.310 nan 0.000 0.471 676 G N 0.661 109.519 108.800 0.097 0.000 2.752 676 G HA2 0.234 4.194 3.960 -0.000 0.000 0.234 676 G HA3 0.234 4.194 3.960 -0.000 0.000 0.234 676 G C 0.066 175.042 174.900 0.126 0.000 1.367 676 G CA 0.581 45.747 45.100 0.110 0.000 0.879 676 G HN 2.354 nan 8.290 nan 0.000 0.563 677 T N -2.668 111.957 114.554 0.120 0.000 2.870 677 T HA 1.042 5.392 4.350 -0.000 0.000 0.277 677 T C 0.214 174.967 174.700 0.088 0.000 1.000 677 T CA 0.506 62.682 62.100 0.125 0.000 0.982 677 T CB 1.833 70.784 68.868 0.139 0.000 1.249 677 T HN 2.693 nan 8.240 nan 0.000 0.589 678 A N -0.199 122.662 122.820 0.068 0.000 2.601 678 A HA 0.696 5.016 4.320 -0.000 0.000 0.291 678 A C -0.840 176.720 177.584 -0.040 0.000 1.075 678 A CA -0.932 51.121 52.037 0.027 0.000 0.671 678 A CB 1.192 20.223 19.000 0.051 0.000 1.277 678 A HN 0.930 nan 8.150 nan 0.000 0.417 679 T N 1.551 116.063 114.554 -0.070 0.000 2.881 679 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 679 T C -0.691 173.893 174.700 -0.192 0.000 0.990 679 T CA -0.043 61.985 62.100 -0.120 0.000 0.976 679 T CB 0.545 69.401 68.868 -0.020 0.000 0.970 679 T HN 0.481 nan 8.240 nan 0.000 0.438 680 I N 3.564 123.913 120.570 -0.369 0.000 2.328 680 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 680 I C -0.010 176.008 176.117 -0.165 0.000 1.012 680 I CA -0.815 60.274 61.300 -0.352 0.000 1.195 680 I CB 0.906 38.442 38.000 -0.774 0.000 1.350 680 I HN 0.394 nan 8.210 nan 0.000 0.464 681 N N 6.841 125.501 118.700 -0.067 0.000 2.469 681 N HA 0.511 5.251 4.740 -0.000 0.000 0.253 681 N C -0.894 174.619 175.510 0.005 0.000 0.970 681 N CA -0.168 52.860 53.050 -0.036 0.000 0.940 681 N CB 1.915 40.389 38.487 -0.022 0.000 1.128 681 N HN 0.504 nan 8.380 nan 0.000 0.503 682 V N 1.050 120.962 119.914 -0.003 0.000 3.141 682 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 682 V C -0.537 175.543 176.094 -0.023 0.000 1.157 682 V CA -1.066 61.222 62.300 -0.020 0.000 1.041 682 V CB 2.228 33.956 31.823 -0.158 0.000 1.071 682 V HN 0.411 nan 8.190 nan 0.000 0.441 683 N N 1.793 120.520 118.700 0.043 0.000 2.399 683 N HA 0.251 4.991 4.740 -0.000 0.000 0.295 683 N C -0.789 174.824 175.510 0.171 0.000 1.048 683 N CA -0.290 52.817 53.050 0.096 0.000 0.886 683 N CB 1.993 40.545 38.487 0.109 0.000 1.185 683 N HN 1.025 nan 8.380 nan 0.000 0.487 684 W N 2.764 124.063 121.300 -0.001 0.000 2.322 684 W HA 0.023 4.683 4.660 -0.000 0.000 0.328 684 W C -0.718 175.865 176.519 0.107 0.000 1.395 684 W CA 0.163 57.538 57.345 0.050 0.000 1.267 684 W CB 0.272 29.718 29.460 -0.022 0.000 1.259 684 W HN 0.436 nan 8.180 nan 0.000 0.560 685 Q N 8.120 127.692 119.800 -0.379 0.000 2.303 685 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 685 Q C -1.819 173.991 176.000 -0.316 0.000 0.941 685 Q CA -1.699 53.968 55.803 -0.227 0.000 0.931 685 Q CB 1.416 30.033 28.738 -0.201 0.000 1.215 685 Q HN 0.221 nan 8.270 nan 0.000 0.437 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.232 63.100 0.219 0.000 0.800 686 P CB 0.000 31.844 31.700 0.240 0.000 0.726