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 2ep5_1_C DATA FIRST_RESID 2 DATA SEQUENCE ADKIKVSLLG STGMVGQKMV KMLAKHPYLE LVKVSASPSK IGKKYKDAVK DATA SEQUENCE WIEQGDIPEE VQDLPIVSTN YEDHKDVDVV LSALPNELAE SIELELVKNG DATA SEQUENCE KIVVSNASPF RMDPDVPLIN PEINWEHLEL LKFQKERKGW KGILVKNPNC DATA SEQUENCE TAAIMSMPIK PLIEIATKSK IIITTLQAVS GAGYNGISFM AIEGNIIPYI DATA SEQUENCE KGEEDKIAKE LTKLNGKLEN NQIIPANLDS TVTSIRVPTR VGHMGVINIV DATA SEQUENCE TNERINIEEI KKTLKNFKSL PQQKNLPTAP KQPIIVRDEE DRPQPIIDVN DATA SEQUENCE AESGMAVTVG RIRHENNVLR LVVLGDNLVR GAAGITILTV EVMKELGYI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 2 A CB 0.000 19.052 19.000 0.086 0.000 0.831 3 D N 1.730 122.086 120.400 -0.075 0.000 2.411 3 D HA 0.505 5.147 4.640 0.003 0.000 0.225 3 D C 0.116 176.457 176.300 0.068 0.000 1.156 3 D CA 0.037 54.021 54.000 -0.025 0.000 0.874 3 D CB 0.467 41.225 40.800 -0.069 0.000 1.034 3 D HN 0.320 nan 8.370 nan 0.000 0.502 4 K N 2.423 122.884 120.400 0.101 0.000 2.527 4 K HA 0.234 4.555 4.320 0.003 0.000 0.278 4 K C -0.202 176.471 176.600 0.121 0.000 0.981 4 K CA 0.525 56.894 56.287 0.137 0.000 1.009 4 K CB 0.375 32.924 32.500 0.081 0.000 0.895 4 K HN 0.473 nan 8.250 nan 0.000 0.493 5 I N 2.862 123.509 120.570 0.128 0.000 2.468 5 I HA 0.180 4.352 4.170 0.003 0.000 0.284 5 I C -0.378 175.757 176.117 0.029 0.000 1.038 5 I CA -0.797 60.552 61.300 0.082 0.000 1.083 5 I CB 1.735 39.799 38.000 0.106 0.000 1.223 5 I HN 0.295 nan 8.210 nan 0.000 0.443 6 K N 5.984 126.395 120.400 0.019 0.000 2.312 6 K HA 0.495 4.816 4.320 0.003 0.000 0.287 6 K C -0.347 176.251 176.600 -0.004 0.000 1.062 6 K CA -0.368 55.919 56.287 0.000 0.000 0.934 6 K CB 1.564 34.064 32.500 -0.001 0.000 1.027 6 K HN 0.491 nan 8.250 nan 0.000 0.478 7 V N -0.639 119.264 119.914 -0.019 0.000 3.113 7 V HA 0.728 4.849 4.120 0.003 0.000 0.316 7 V C -0.400 175.695 176.094 0.001 0.000 1.125 7 V CA -0.832 61.462 62.300 -0.011 0.000 1.026 7 V CB 1.910 33.709 31.823 -0.039 0.000 1.080 7 V HN 0.784 nan 8.190 nan 0.000 0.444 8 S N 1.955 117.679 115.700 0.040 0.000 2.599 8 S HA 0.878 5.349 4.470 0.003 0.000 0.294 8 S C -1.161 173.477 174.600 0.064 0.000 1.094 8 S CA -0.740 57.507 58.200 0.078 0.000 0.931 8 S CB 1.750 65.093 63.200 0.239 0.000 1.093 8 S HN 1.623 nan 8.310 nan 0.000 0.488 9 L N 1.874 123.137 121.223 0.067 0.000 2.376 9 L HA 0.666 5.007 4.340 0.003 0.000 0.275 9 L C -1.846 175.070 176.870 0.076 0.000 0.987 9 L CA -0.711 54.158 54.840 0.049 0.000 0.828 9 L CB 1.376 43.450 42.059 0.025 0.000 1.249 9 L HN 0.744 nan 8.230 nan 0.000 0.409 10 L N 5.247 126.498 121.223 0.047 0.000 2.312 10 L HA 0.664 5.006 4.340 0.003 0.000 0.281 10 L C 1.180 178.082 176.870 0.053 0.000 1.070 10 L CA 0.619 55.486 54.840 0.045 0.000 0.805 10 L CB 1.168 43.222 42.059 -0.008 0.000 1.174 10 L HN 0.835 nan 8.230 nan 0.000 0.434 11 G N 1.638 110.480 108.800 0.069 0.000 2.160 11 G HA2 -0.310 3.651 3.960 0.003 0.000 0.244 11 G HA3 -0.310 3.651 3.960 0.003 0.000 0.244 11 G C 0.998 175.959 174.900 0.102 0.000 1.022 11 G CA 0.662 45.805 45.100 0.071 0.000 0.741 11 G HN 0.819 nan 8.290 nan 0.000 0.508 12 S N -1.616 114.171 115.700 0.146 0.000 2.465 12 S HA -0.083 4.389 4.470 0.003 0.000 0.241 12 S C 1.935 176.729 174.600 0.324 0.000 1.000 12 S CA 2.217 60.556 58.200 0.232 0.000 0.964 12 S CB -0.201 63.175 63.200 0.294 0.000 0.763 12 S HN 0.509 nan 8.310 nan 0.000 0.512 13 T N 1.359 116.031 114.554 0.197 0.000 3.035 13 T HA 0.286 4.638 4.350 0.003 0.000 0.259 13 T C 1.166 175.903 174.700 0.063 0.000 1.078 13 T CA 0.646 62.809 62.100 0.105 0.000 1.132 13 T CB -0.476 68.405 68.868 0.021 0.000 0.900 13 T HN 0.644 nan 8.240 nan 0.000 0.480 14 G N 0.299 109.135 108.800 0.060 0.000 2.653 14 G HA2 0.292 4.254 3.960 0.003 0.000 0.265 14 G HA3 0.292 4.254 3.960 0.003 0.000 0.265 14 G C 1.006 175.914 174.900 0.015 0.000 1.237 14 G CA -0.486 44.635 45.100 0.034 0.000 0.946 14 G HN 0.190 nan 8.290 nan 0.000 0.522 15 M N -0.713 118.891 119.600 0.007 0.000 2.065 15 M HA -0.147 4.335 4.480 0.003 0.000 0.259 15 M C 2.756 179.045 176.300 -0.020 0.000 1.069 15 M CA 1.344 56.632 55.300 -0.021 0.000 1.110 15 M CB -0.542 32.077 32.600 0.031 0.000 1.328 15 M HN 0.296 nan 8.290 nan 0.000 0.405 16 V N 0.121 120.038 119.914 0.006 0.000 2.407 16 V HA -0.208 3.914 4.120 0.003 0.000 0.248 16 V C 2.540 178.647 176.094 0.022 0.000 1.055 16 V CA 2.144 64.448 62.300 0.008 0.000 1.049 16 V CB -1.629 30.203 31.823 0.015 0.000 0.662 16 V HN 0.663 nan 8.190 nan 0.000 0.455 17 G N -1.001 107.825 108.800 0.044 0.000 2.418 17 G HA2 -0.246 3.715 3.960 0.003 0.000 0.217 17 G HA3 -0.246 3.715 3.960 0.003 0.000 0.217 17 G C 1.476 176.446 174.900 0.117 0.000 1.158 17 G CA 0.639 45.787 45.100 0.081 0.000 0.771 17 G HN 0.557 nan 8.290 nan 0.000 0.545 18 Q N -0.223 119.639 119.800 0.104 0.000 2.224 18 Q HA -0.004 4.338 4.340 0.003 0.000 0.203 18 Q C 2.487 178.512 176.000 0.041 0.000 0.970 18 Q CA 0.624 56.505 55.803 0.129 0.000 0.865 18 Q CB -0.066 28.572 28.738 -0.166 0.000 0.922 18 Q HN 0.202 nan 8.270 nan 0.000 0.445 19 K N 0.905 121.298 120.400 -0.012 0.000 2.025 19 K HA -0.036 4.286 4.320 0.003 0.000 0.207 19 K C 1.953 178.573 176.600 0.034 0.000 1.049 19 K CA 1.265 57.546 56.287 -0.010 0.000 0.933 19 K CB -0.154 32.334 32.500 -0.022 0.000 0.714 19 K HN 0.258 nan 8.250 nan 0.000 0.438 20 M N 0.182 119.803 119.600 0.036 0.000 2.117 20 M HA -0.165 4.317 4.480 0.003 0.000 0.262 20 M C 2.232 178.553 176.300 0.034 0.000 1.065 20 M CA 1.146 56.462 55.300 0.027 0.000 1.114 20 M CB -0.316 32.294 32.600 0.016 0.000 1.361 20 M HN -0.156 nan 8.290 nan 0.000 0.408 21 V N 0.765 120.715 119.914 0.060 0.000 2.282 21 V HA -0.336 3.786 4.120 0.003 0.000 0.249 21 V C 2.347 178.486 176.094 0.074 0.000 1.057 21 V CA 2.145 64.464 62.300 0.031 0.000 1.032 21 V CB -0.716 31.136 31.823 0.049 0.000 0.645 21 V HN 0.469 nan 8.190 nan 0.000 0.447 22 K N -0.627 119.873 120.400 0.166 0.000 2.057 22 K HA -0.164 4.157 4.320 0.003 0.000 0.207 22 K C 2.122 178.774 176.600 0.086 0.000 1.049 22 K CA 1.800 58.189 56.287 0.170 0.000 0.931 22 K CB -0.167 32.444 32.500 0.185 0.000 0.714 22 K HN 0.395 nan 8.250 nan 0.000 0.440 23 M N 0.181 119.818 119.600 0.061 0.000 2.349 23 M HA -0.061 4.421 4.480 0.003 0.000 0.266 23 M C 1.803 178.137 176.300 0.056 0.000 1.076 23 M CA 1.079 56.410 55.300 0.051 0.000 1.126 23 M CB 0.084 32.710 32.600 0.043 0.000 1.392 23 M HN 0.130 nan 8.290 nan 0.000 0.440 24 L N -0.552 120.687 121.223 0.026 0.000 2.270 24 L HA 0.027 4.369 4.340 0.003 0.000 0.210 24 L C 2.778 179.656 176.870 0.013 0.000 1.104 24 L CA 0.343 55.185 54.840 0.004 0.000 0.804 24 L CB -0.702 41.325 42.059 -0.055 0.000 0.937 24 L HN 0.245 nan 8.230 nan 0.000 0.450 25 A N 1.668 124.489 122.820 0.002 0.000 1.908 25 A HA -0.229 4.093 4.320 0.003 0.000 0.218 25 A C 2.134 179.721 177.584 0.005 0.000 1.181 25 A CA 2.061 54.090 52.037 -0.012 0.000 0.627 25 A CB -0.351 18.638 19.000 -0.018 0.000 0.818 25 A HN 0.547 nan 8.150 nan 0.000 0.445 26 K N -0.883 119.528 120.400 0.019 0.000 2.387 26 K HA 0.134 4.455 4.320 0.003 0.000 0.198 26 K C 0.313 176.912 176.600 -0.002 0.000 1.022 26 K CA -0.151 56.139 56.287 0.006 0.000 1.128 26 K CB -0.277 32.223 32.500 0.000 0.000 0.853 26 K HN 0.550 nan 8.250 nan 0.000 0.523 27 H N 2.107 121.136 119.070 -0.069 0.000 2.886 27 H HA 0.052 4.610 4.556 0.003 0.000 0.329 27 H C -1.592 173.675 175.328 -0.102 0.000 1.044 27 H CA -1.083 54.895 56.048 -0.117 0.000 1.456 27 H CB 1.144 30.796 29.762 -0.183 0.000 1.464 27 H HN -0.079 nan 8.280 nan 0.000 0.573 28 P HA -0.202 nan 4.420 nan 0.000 0.215 28 P C -0.177 177.258 177.300 0.225 0.000 1.157 28 P CA 1.814 64.901 63.100 -0.022 0.000 0.874 28 P CB 0.100 31.800 31.700 -0.000 0.000 0.790 29 Y N -5.629 114.836 120.300 0.275 0.000 2.540 29 Y HA 0.473 5.025 4.550 0.003 0.000 0.257 29 Y C 0.194 176.183 175.900 0.147 0.000 1.090 29 Y CA -0.945 57.264 58.100 0.182 0.000 1.242 29 Y CB -0.406 38.126 38.460 0.119 0.000 1.325 29 Y HN -0.288 nan 8.280 nan 0.000 0.544 30 L N 2.986 124.158 121.223 -0.085 0.000 2.261 30 L HA 0.327 4.669 4.340 0.003 0.000 0.289 30 L C -0.221 176.579 176.870 -0.115 0.000 1.059 30 L CA -0.448 54.220 54.840 -0.286 0.000 0.816 30 L CB 0.831 42.371 42.059 -0.864 0.000 1.191 30 L HN 0.221 nan 8.230 nan 0.000 0.431 31 E N 3.357 123.527 120.200 -0.050 0.000 2.046 31 E HA 0.150 4.501 4.350 0.003 0.000 0.279 31 E C -0.812 175.758 176.600 -0.048 0.000 0.989 31 E CA -0.873 55.508 56.400 -0.030 0.000 0.798 31 E CB 0.948 30.646 29.700 -0.003 0.000 1.086 31 E HN 0.331 nan 8.360 nan 0.000 0.399 32 L N 6.822 128.009 121.223 -0.060 0.000 2.536 32 L HA 0.014 4.356 4.340 0.003 0.000 0.282 32 L C 0.623 177.456 176.870 -0.063 0.000 1.147 32 L CA 0.444 55.244 54.840 -0.067 0.000 0.936 32 L CB 0.512 42.521 42.059 -0.084 0.000 1.279 32 L HN 0.478 nan 8.230 nan 0.000 0.461 33 V N 1.174 121.057 119.914 -0.051 0.000 3.354 33 V HA 0.331 4.453 4.120 0.003 0.000 0.258 33 V C 0.727 176.783 176.094 -0.063 0.000 1.159 33 V CA 0.323 62.591 62.300 -0.054 0.000 1.125 33 V CB -0.804 30.992 31.823 -0.045 0.000 0.774 33 V HN 0.676 nan 8.190 nan 0.000 0.464 34 K N 0.700 121.065 120.400 -0.059 0.000 2.527 34 K HA 0.730 5.052 4.320 0.003 0.000 0.260 34 K C -1.574 175.013 176.600 -0.022 0.000 0.937 34 K CA -0.523 55.728 56.287 -0.061 0.000 0.826 34 K CB 3.216 35.644 32.500 -0.119 0.000 1.359 34 K HN 0.147 nan 8.250 nan 0.000 0.434 35 V N -1.952 117.963 119.914 0.002 0.000 2.789 35 V HA 0.762 4.883 4.120 0.003 0.000 0.311 35 V C -0.641 175.519 176.094 0.110 0.000 1.073 35 V CA -0.650 61.683 62.300 0.055 0.000 0.921 35 V CB 1.747 33.589 31.823 0.032 0.000 1.009 35 V HN 0.731 nan 8.190 nan 0.000 0.426 36 S N 1.833 117.617 115.700 0.141 0.000 2.634 36 S HA 1.021 5.492 4.470 0.003 0.000 0.296 36 S C -0.292 174.382 174.600 0.123 0.000 1.104 36 S CA 0.308 58.590 58.200 0.136 0.000 0.920 36 S CB 1.852 65.152 63.200 0.166 0.000 1.111 36 S HN 2.237 nan 8.310 nan 0.000 0.493 37 A N 1.227 124.103 122.820 0.093 0.000 2.506 37 A HA 0.743 5.064 4.320 0.003 0.000 0.305 37 A C -0.239 177.375 177.584 0.050 0.000 1.166 37 A CA -0.210 51.869 52.037 0.070 0.000 0.638 37 A CB 0.109 19.145 19.000 0.060 0.000 1.336 37 A HN 1.650 nan 8.150 nan 0.000 0.493 38 S N 0.108 115.829 115.700 0.035 0.000 2.559 38 S HA 0.231 4.703 4.470 0.003 0.000 0.282 38 S C -1.722 172.894 174.600 0.026 0.000 1.336 38 S CA 0.439 58.656 58.200 0.028 0.000 1.037 38 S CB 0.093 63.305 63.200 0.019 0.000 0.853 38 S HN 0.381 nan 8.310 nan 0.000 0.523 39 P HA -0.153 nan 4.420 nan 0.000 0.216 39 P C 1.727 179.037 177.300 0.016 0.000 1.154 39 P CA 1.879 64.992 63.100 0.022 0.000 0.865 39 P CB -0.231 31.481 31.700 0.020 0.000 0.789 40 S N -1.452 114.256 115.700 0.012 0.000 2.555 40 S HA -0.032 4.439 4.470 0.003 0.000 0.230 40 S C 1.532 176.134 174.600 0.004 0.000 0.978 40 S CA 0.788 58.993 58.200 0.007 0.000 0.934 40 S CB -0.725 62.478 63.200 0.005 0.000 0.766 40 S HN 0.216 nan 8.310 nan 0.000 0.533 41 K N 0.344 120.747 120.400 0.006 0.000 2.334 41 K HA 0.351 4.672 4.320 0.003 0.000 0.195 41 K C 0.199 176.804 176.600 0.008 0.000 1.045 41 K CA -0.123 56.164 56.287 0.001 0.000 1.004 41 K CB 0.050 32.548 32.500 -0.003 0.000 0.837 41 K HN 0.406 nan 8.250 nan 0.000 0.510 42 I N 1.492 122.072 120.570 0.015 0.000 2.845 42 I HA -0.178 3.993 4.170 0.003 0.000 0.296 42 I C 1.336 177.459 176.117 0.009 0.000 1.216 42 I CA 1.177 62.488 61.300 0.018 0.000 1.438 42 I CB 0.153 38.165 38.000 0.020 0.000 1.342 42 I HN 0.546 nan 8.210 nan 0.000 0.577 43 G N 4.416 113.221 108.800 0.008 0.000 2.234 43 G HA2 -0.201 3.761 3.960 0.003 0.000 0.235 43 G HA3 -0.201 3.761 3.960 0.003 0.000 0.235 43 G C 0.367 175.268 174.900 0.002 0.000 0.997 43 G CA -0.406 44.695 45.100 0.002 0.000 0.623 43 G HN 0.497 nan 8.290 nan 0.000 0.514 44 K N 0.850 121.252 120.400 0.004 0.000 2.090 44 K HA 0.501 4.823 4.320 0.003 0.000 0.250 44 K C 0.555 177.162 176.600 0.011 0.000 1.004 44 K CA -0.478 55.808 56.287 -0.000 0.000 0.919 44 K CB 0.911 33.405 32.500 -0.010 0.000 1.045 44 K HN 0.280 nan 8.250 nan 0.000 0.471 45 K N 0.738 121.142 120.400 0.007 0.000 2.237 45 K HA 0.021 4.343 4.320 0.003 0.000 0.270 45 K C 1.054 177.682 176.600 0.048 0.000 1.015 45 K CA -0.112 56.193 56.287 0.029 0.000 0.949 45 K CB 0.344 32.852 32.500 0.012 0.000 0.976 45 K HN 0.422 nan 8.250 nan 0.000 0.472 46 Y N 3.557 123.834 120.300 -0.039 0.000 2.114 46 Y HA -0.356 4.196 4.550 0.003 0.000 0.282 46 Y C 2.104 177.974 175.900 -0.049 0.000 1.165 46 Y CA 2.169 60.248 58.100 -0.036 0.000 1.148 46 Y CB -0.012 38.418 38.460 -0.051 0.000 0.972 46 Y HN 0.616 nan 8.280 nan 0.000 0.504 47 K N -0.915 119.504 120.400 0.033 0.000 2.152 47 K HA -0.194 4.128 4.320 0.003 0.000 0.206 47 K C 1.133 177.670 176.600 -0.104 0.000 1.048 47 K CA 2.007 58.250 56.287 -0.073 0.000 0.933 47 K CB -0.349 32.119 32.500 -0.053 0.000 0.721 47 K HN 0.311 nan 8.250 nan 0.000 0.447 48 D N 0.318 120.671 120.400 -0.079 0.000 2.350 48 D HA 0.076 4.718 4.640 0.003 0.000 0.213 48 D C 1.392 177.641 176.300 -0.085 0.000 1.031 48 D CA 0.820 54.779 54.000 -0.067 0.000 0.861 48 D CB 0.726 41.503 40.800 -0.040 0.000 0.926 48 D HN 0.457 nan 8.370 nan 0.000 0.520 49 A N 0.219 122.957 122.820 -0.136 0.000 2.167 49 A HA 0.157 4.479 4.320 0.003 0.000 0.208 49 A C 0.973 178.444 177.584 -0.188 0.000 1.198 49 A CA -0.041 51.915 52.037 -0.135 0.000 0.863 49 A CB 0.658 19.593 19.000 -0.109 0.000 0.904 49 A HN 0.083 nan 8.150 nan 0.000 0.484 50 V N 0.896 120.621 119.914 -0.316 0.000 2.644 50 V HA 0.388 4.510 4.120 0.003 0.000 0.295 50 V C -0.473 175.553 176.094 -0.113 0.000 1.053 50 V CA -0.632 61.491 62.300 -0.295 0.000 0.987 50 V CB 1.447 32.914 31.823 -0.592 0.000 1.006 50 V HN 0.179 nan 8.190 nan 0.000 0.472 51 K N 6.913 127.276 120.400 -0.061 0.000 2.291 51 K HA 0.141 4.463 4.320 0.003 0.000 0.242 51 K C -0.274 176.324 176.600 -0.003 0.000 1.098 51 K CA -0.411 55.856 56.287 -0.033 0.000 1.036 51 K CB 0.245 32.705 32.500 -0.068 0.000 1.655 51 K HN 0.847 nan 8.250 nan 0.000 0.432 52 W N 4.414 125.624 121.300 -0.150 0.000 2.385 52 W HA -0.152 4.509 4.660 0.002 0.000 0.336 52 W C 0.073 176.494 176.519 -0.163 0.000 1.351 52 W CA 0.163 57.439 57.345 -0.115 0.000 1.295 52 W CB 0.524 29.951 29.460 -0.055 0.000 1.239 52 W HN 0.374 nan 8.180 nan 0.000 0.565 53 I N 3.443 123.608 120.570 -0.675 0.000 4.442 53 I HA 0.041 4.212 4.170 0.003 0.000 0.331 53 I C 0.644 176.358 176.117 -0.672 0.000 1.364 53 I CA 0.181 61.087 61.300 -0.657 0.000 1.207 53 I CB -0.179 37.284 38.000 -0.894 0.000 1.298 53 I HN 0.258 nan 8.210 nan 0.000 0.463 54 E N 1.024 120.527 120.200 -1.162 0.000 2.376 54 E HA 0.194 4.545 4.350 0.003 0.000 0.254 54 E C 0.049 176.414 176.600 -0.393 0.000 1.213 54 E CA -0.253 55.669 56.400 -0.797 0.000 0.945 54 E CB 0.459 29.544 29.700 -1.025 0.000 1.057 54 E HN 0.066 nan 8.360 nan 0.000 0.479 55 Q N 0.270 119.989 119.800 -0.134 0.000 2.313 55 Q HA 0.334 4.676 4.340 0.003 0.000 0.266 55 Q C 0.476 176.568 176.000 0.153 0.000 0.989 55 Q CA 0.556 56.367 55.803 0.013 0.000 0.890 55 Q CB 0.870 29.618 28.738 0.016 0.000 1.200 55 Q HN 0.749 nan 8.270 nan 0.000 0.396 56 G N 4.004 112.909 108.800 0.175 0.000 2.632 56 G HA2 -0.188 3.774 3.960 0.003 0.000 0.224 56 G HA3 -0.188 3.774 3.960 0.003 0.000 0.224 56 G C -0.744 174.373 174.900 0.361 0.000 1.341 56 G CA -0.473 44.755 45.100 0.214 0.000 0.880 56 G HN 0.622 nan 8.290 nan 0.000 0.566 57 D N -0.275 120.250 120.400 0.208 0.000 2.437 57 D HA 0.525 5.166 4.640 0.003 0.000 0.259 57 D C 0.945 177.111 176.300 -0.224 0.000 1.118 57 D CA -0.319 53.696 54.000 0.024 0.000 1.017 57 D CB 0.991 41.763 40.800 -0.047 0.000 1.120 57 D HN 0.493 nan 8.370 nan 0.000 0.541 58 I N 1.658 121.796 120.570 -0.719 0.000 2.618 58 I HA 0.054 4.225 4.170 0.003 0.000 0.284 58 I C -1.977 173.891 176.117 -0.416 0.000 1.146 58 I CA -1.376 59.333 61.300 -0.985 0.000 1.425 58 I CB 0.063 37.548 38.000 -0.857 0.000 1.383 58 I HN -0.043 nan 8.210 nan 0.000 0.562 59 P HA -0.042 nan 4.420 nan 0.000 0.262 59 P C 0.397 177.602 177.300 -0.159 0.000 1.182 59 P CA -0.007 63.003 63.100 -0.149 0.000 0.761 59 P CB 0.385 32.025 31.700 -0.101 0.000 0.795 60 E N 3.066 123.200 120.200 -0.109 0.000 2.409 60 E HA -0.171 4.181 4.350 0.003 0.000 0.198 60 E C 0.728 177.277 176.600 -0.085 0.000 1.024 60 E CA 0.629 56.973 56.400 -0.094 0.000 0.861 60 E CB -0.255 29.404 29.700 -0.067 0.000 0.788 60 E HN 0.521 nan 8.360 nan 0.000 0.521 61 E N 1.203 121.351 120.200 -0.087 0.000 2.481 61 E HA -0.019 4.333 4.350 0.003 0.000 0.195 61 E C 1.597 178.133 176.600 -0.107 0.000 1.047 61 E CA 0.381 56.734 56.400 -0.079 0.000 0.867 61 E CB 0.481 30.144 29.700 -0.063 0.000 0.858 61 E HN 0.269 nan 8.360 nan 0.000 0.513 62 V N 1.077 120.900 119.914 -0.151 0.000 3.431 62 V HA -0.112 4.010 4.120 0.003 0.000 0.255 62 V C 2.482 178.474 176.094 -0.170 0.000 1.403 62 V CA 0.707 62.875 62.300 -0.220 0.000 1.101 62 V CB 0.342 31.939 31.823 -0.377 0.000 0.891 62 V HN 0.216 nan 8.190 nan 0.000 0.446 63 Q N 0.844 120.571 119.800 -0.122 0.000 2.173 63 Q HA -0.278 4.064 4.340 0.003 0.000 0.208 63 Q C 0.995 177.001 176.000 0.011 0.000 0.989 63 Q CA 2.418 58.200 55.803 -0.034 0.000 0.872 63 Q CB -0.368 28.316 28.738 -0.091 0.000 0.909 63 Q HN 0.521 nan 8.270 nan 0.000 0.420 64 D N 0.466 120.853 120.400 -0.022 0.000 2.339 64 D HA 0.184 4.825 4.640 0.003 0.000 0.217 64 D C 0.046 176.343 176.300 -0.004 0.000 1.050 64 D CA 0.027 54.021 54.000 -0.010 0.000 0.856 64 D CB 0.246 41.032 40.800 -0.024 0.000 0.922 64 D HN 0.275 nan 8.370 nan 0.000 0.518 65 L N 3.317 124.537 121.223 -0.006 0.000 2.455 65 L HA 0.145 4.486 4.340 0.003 0.000 0.272 65 L C -1.991 174.897 176.870 0.031 0.000 1.174 65 L CA -1.262 53.572 54.840 -0.009 0.000 0.869 65 L CB 0.280 42.311 42.059 -0.047 0.000 1.130 65 L HN -0.243 nan 8.230 nan 0.000 0.474 66 P HA 0.145 nan 4.420 nan 0.000 0.286 66 P C -0.479 176.838 177.300 0.029 0.000 1.269 66 P CA -0.527 62.584 63.100 0.018 0.000 0.787 66 P CB 1.088 32.785 31.700 -0.004 0.000 0.920 67 I N 4.004 124.604 120.570 0.050 0.000 2.668 67 I HA -0.007 4.165 4.170 0.003 0.000 0.285 67 I C 1.246 177.381 176.117 0.029 0.000 1.168 67 I CA 0.171 61.508 61.300 0.061 0.000 1.424 67 I CB 0.412 38.449 38.000 0.061 0.000 1.377 67 I HN 0.216 nan 8.210 nan 0.000 0.560 68 V N 3.871 123.800 119.914 0.025 0.000 3.267 68 V HA 0.750 4.871 4.120 0.003 0.000 0.317 68 V C 0.421 176.547 176.094 0.053 0.000 1.131 68 V CA -0.748 61.553 62.300 0.000 0.000 1.031 68 V CB 1.481 33.252 31.823 -0.088 0.000 1.159 68 V HN 0.835 nan 8.190 nan 0.000 0.454 69 S N 0.171 115.908 115.700 0.062 0.000 2.661 69 S HA 0.304 4.776 4.470 0.003 0.000 0.265 69 S C 0.917 175.643 174.600 0.210 0.000 1.225 69 S CA 0.279 58.540 58.200 0.102 0.000 0.986 69 S CB 0.897 64.142 63.200 0.074 0.000 1.008 69 S HN 1.626 nan 8.310 nan 0.000 0.565 70 T N -2.200 112.436 114.554 0.137 0.000 3.086 70 T HA 0.263 4.615 4.350 0.003 0.000 0.250 70 T C 0.086 174.815 174.700 0.048 0.000 1.074 70 T CA -0.441 61.706 62.100 0.078 0.000 0.988 70 T CB -1.112 67.768 68.868 0.019 0.000 0.988 70 T HN 0.597 nan 8.240 nan 0.000 0.530 71 N N 0.726 119.500 118.700 0.123 0.000 2.524 71 N HA 0.295 5.037 4.740 0.003 0.000 0.283 71 N C 0.254 175.888 175.510 0.207 0.000 1.142 71 N CA -0.769 52.357 53.050 0.127 0.000 0.984 71 N CB 0.706 39.256 38.487 0.104 0.000 1.155 71 N HN 0.078 nan 8.380 nan 0.000 0.467 72 Y N 1.809 122.145 120.300 0.060 0.000 2.133 72 Y HA -0.347 4.205 4.550 0.003 0.000 0.279 72 Y C 1.813 177.775 175.900 0.104 0.000 1.209 72 Y CA 1.894 60.036 58.100 0.071 0.000 1.152 72 Y CB -0.015 38.456 38.460 0.017 0.000 0.961 72 Y HN 0.592 nan 8.280 nan 0.000 0.512 73 E N 0.075 120.234 120.200 -0.067 0.000 2.171 73 E HA -0.205 4.146 4.350 0.003 0.000 0.197 73 E C 1.344 177.832 176.600 -0.187 0.000 0.997 73 E CA 1.551 57.843 56.400 -0.179 0.000 0.810 73 E CB -0.384 29.299 29.700 -0.029 0.000 0.738 73 E HN 0.654 nan 8.360 nan 0.000 0.467 74 D N -0.667 119.679 120.400 -0.091 0.000 2.328 74 D HA 0.005 4.646 4.640 0.003 0.000 0.221 74 D C 0.271 176.245 176.300 -0.543 0.000 1.072 74 D CA 0.310 54.170 54.000 -0.233 0.000 0.850 74 D CB 0.128 40.814 40.800 -0.190 0.000 0.922 74 D HN 0.316 nan 8.370 nan 0.000 0.516 75 H N -1.146 117.809 119.070 -0.191 0.000 3.182 75 H HA 0.184 4.742 4.556 0.003 0.000 0.254 75 H C 1.389 176.589 175.328 -0.212 0.000 1.197 75 H CA -0.289 55.669 56.048 -0.150 0.000 1.061 75 H CB 0.651 30.367 29.762 -0.076 0.000 1.722 75 H HN -0.117 nan 8.280 nan 0.000 0.662 76 K N 0.871 121.090 120.400 -0.302 0.000 2.152 76 K HA -0.138 4.184 4.320 0.003 0.000 0.206 76 K C 0.834 177.365 176.600 -0.114 0.000 1.048 76 K CA 1.736 57.829 56.287 -0.323 0.000 0.933 76 K CB 0.078 32.348 32.500 -0.383 0.000 0.721 76 K HN 0.479 nan 8.250 nan 0.000 0.447 77 D N 0.847 121.186 120.400 -0.102 0.000 2.339 77 D HA -0.040 4.602 4.640 0.003 0.000 0.217 77 D C 0.747 177.029 176.300 -0.029 0.000 1.050 77 D CA -0.079 53.886 54.000 -0.058 0.000 0.856 77 D CB -0.283 40.476 40.800 -0.069 0.000 0.922 77 D HN 0.028 nan 8.370 nan 0.000 0.518 78 V N -1.865 118.043 119.914 -0.009 0.000 2.644 78 V HA 0.290 4.412 4.120 0.003 0.000 0.295 78 V C 0.708 176.820 176.094 0.030 0.000 1.053 78 V CA -0.557 61.752 62.300 0.015 0.000 0.987 78 V CB 2.006 33.858 31.823 0.048 0.000 1.006 78 V HN -0.261 nan 8.190 nan 0.000 0.472 79 D N 2.082 122.497 120.400 0.026 0.000 2.162 79 D HA 0.082 4.724 4.640 0.003 0.000 0.203 79 D C 0.440 176.762 176.300 0.036 0.000 0.967 79 D CA 1.416 55.435 54.000 0.033 0.000 0.840 79 D CB 0.574 41.393 40.800 0.032 0.000 0.972 79 D HN 0.480 nan 8.370 nan 0.000 0.482 80 V N 0.939 120.870 119.914 0.029 0.000 2.808 80 V HA 0.259 4.380 4.120 0.003 0.000 0.308 80 V C -0.325 175.781 176.094 0.019 0.000 1.099 80 V CA -0.889 61.423 62.300 0.021 0.000 0.920 80 V CB 2.995 34.825 31.823 0.013 0.000 1.014 80 V HN -0.275 nan 8.190 nan 0.000 0.425 81 V N 5.443 125.360 119.914 0.006 0.000 2.347 81 V HA 0.465 4.587 4.120 0.003 0.000 0.280 81 V C -0.112 175.969 176.094 -0.022 0.000 1.021 81 V CA -0.400 61.896 62.300 -0.006 0.000 0.847 81 V CB 1.366 33.151 31.823 -0.063 0.000 0.990 81 V HN 0.609 nan 8.190 nan 0.000 0.444 82 L N 3.829 125.045 121.223 -0.012 0.000 2.325 82 L HA 0.657 4.999 4.340 0.003 0.000 0.279 82 L C 0.262 177.126 176.870 -0.011 0.000 1.054 82 L CA -0.025 54.807 54.840 -0.014 0.000 0.804 82 L CB 1.734 43.785 42.059 -0.015 0.000 1.200 82 L HN 0.658 nan 8.230 nan 0.000 0.436 83 S N 1.401 117.096 115.700 -0.007 0.000 2.672 83 S HA 0.680 5.151 4.470 0.003 0.000 0.291 83 S C -0.119 174.489 174.600 0.014 0.000 1.145 83 S CA -0.296 57.903 58.200 -0.001 0.000 1.013 83 S CB 1.682 64.874 63.200 -0.013 0.000 1.017 83 S HN 0.697 nan 8.310 nan 0.000 0.487 84 A N 5.427 128.260 122.820 0.022 0.000 2.631 84 A HA 0.470 4.791 4.320 0.003 0.000 0.294 84 A C 0.120 177.722 177.584 0.031 0.000 1.156 84 A CA -0.361 51.693 52.037 0.028 0.000 0.963 84 A CB -0.214 18.806 19.000 0.033 0.000 1.202 84 A HN 0.733 nan 8.150 nan 0.000 0.523 85 L N 1.579 122.818 121.223 0.027 0.000 2.467 85 L HA 0.221 4.563 4.340 0.003 0.000 0.270 85 L C -1.692 175.194 176.870 0.026 0.000 1.205 85 L CA -1.465 53.391 54.840 0.027 0.000 0.828 85 L CB 0.277 42.349 42.059 0.022 0.000 1.101 85 L HN 0.237 nan 8.230 nan 0.000 0.479 86 P HA 0.066 nan 4.420 nan 0.000 0.271 86 P C -0.373 176.936 177.300 0.016 0.000 1.216 86 P CA -0.164 62.948 63.100 0.020 0.000 0.776 86 P CB 0.584 32.296 31.700 0.020 0.000 0.881 87 N N 1.663 120.370 118.700 0.012 0.000 2.096 87 N HA -0.219 4.522 4.740 0.003 0.000 0.195 87 N C 1.334 176.843 175.510 -0.002 0.000 1.017 87 N CA 1.271 54.324 53.050 0.005 0.000 0.870 87 N CB -0.181 38.305 38.487 -0.001 0.000 1.024 87 N HN 0.613 nan 8.380 nan 0.000 0.434 88 E N -0.247 119.953 120.200 -0.001 0.000 2.409 88 E HA -0.095 4.256 4.350 0.003 0.000 0.198 88 E C 0.787 177.387 176.600 0.000 0.000 1.024 88 E CA 0.595 56.993 56.400 -0.004 0.000 0.861 88 E CB 0.243 29.942 29.700 -0.000 0.000 0.788 88 E HN 0.310 nan 8.360 nan 0.000 0.521 89 L N -1.105 120.122 121.223 0.007 0.000 2.717 89 L HA 0.216 4.558 4.340 0.003 0.000 0.239 89 L C 1.980 178.860 176.870 0.016 0.000 1.086 89 L CA 0.489 55.336 54.840 0.011 0.000 0.897 89 L CB -0.452 41.616 42.059 0.015 0.000 1.214 89 L HN -0.075 nan 8.230 nan 0.000 0.508 90 A N 0.214 123.045 122.820 0.020 0.000 1.873 90 A HA -0.311 4.011 4.320 0.003 0.000 0.218 90 A C 2.231 179.852 177.584 0.062 0.000 1.193 90 A CA 2.293 54.351 52.037 0.035 0.000 0.629 90 A CB -0.607 18.418 19.000 0.042 0.000 0.826 90 A HN 0.484 nan 8.150 nan 0.000 0.447 91 E N -0.262 119.967 120.200 0.049 0.000 2.035 91 E HA -0.226 4.125 4.350 0.003 0.000 0.204 91 E C 2.239 178.920 176.600 0.135 0.000 1.025 91 E CA 1.955 58.407 56.400 0.087 0.000 0.835 91 E CB -0.229 29.426 29.700 -0.074 0.000 0.764 91 E HN 0.553 nan 8.360 nan 0.000 0.457 92 S N 0.256 115.994 115.700 0.064 0.000 2.353 92 S HA -0.174 4.298 4.470 0.003 0.000 0.222 92 S C 2.031 176.652 174.600 0.035 0.000 1.035 92 S CA 1.452 59.685 58.200 0.054 0.000 1.025 92 S CB -0.362 62.857 63.200 0.031 0.000 0.902 92 S HN 0.300 nan 8.310 nan 0.000 0.440 93 I N 1.530 122.114 120.570 0.022 0.000 2.163 93 I HA -0.234 3.938 4.170 0.003 0.000 0.243 93 I C 2.548 178.646 176.117 -0.032 0.000 1.085 93 I CA 1.428 62.726 61.300 -0.003 0.000 1.347 93 I CB -0.460 37.537 38.000 -0.005 0.000 1.044 93 I HN 0.360 nan 8.210 nan 0.000 0.408 94 E N 0.465 120.656 120.200 -0.015 0.000 2.072 94 E HA -0.228 4.124 4.350 0.003 0.000 0.191 94 E C 2.140 178.639 176.600 -0.168 0.000 0.985 94 E CA 0.932 57.288 56.400 -0.073 0.000 0.801 94 E CB -0.182 29.509 29.700 -0.017 0.000 0.750 94 E HN 0.269 nan 8.360 nan 0.000 0.452 95 L N 1.759 122.926 121.223 -0.093 0.000 2.042 95 L HA -0.217 4.125 4.340 0.003 0.000 0.210 95 L C 2.070 178.791 176.870 -0.248 0.000 1.076 95 L CA 1.814 56.522 54.840 -0.220 0.000 0.749 95 L CB -0.235 41.853 42.059 0.048 0.000 0.893 95 L HN -0.008 nan 8.230 nan 0.000 0.432 96 E N -0.367 119.758 120.200 -0.125 0.000 2.077 96 E HA -0.192 4.160 4.350 0.003 0.000 0.193 96 E C 2.317 178.829 176.600 -0.146 0.000 0.989 96 E CA 1.449 57.782 56.400 -0.110 0.000 0.800 96 E CB -0.384 29.290 29.700 -0.043 0.000 0.746 96 E HN 0.535 nan 8.360 nan 0.000 0.452 97 L N 0.172 121.313 121.223 -0.136 0.000 2.017 97 L HA -0.165 4.177 4.340 0.003 0.000 0.208 97 L C 2.560 179.318 176.870 -0.188 0.000 1.073 97 L CA 0.844 55.622 54.840 -0.102 0.000 0.745 97 L CB -0.576 41.416 42.059 -0.110 0.000 0.894 97 L HN -0.003 nan 8.230 nan 0.000 0.432 98 V N -0.050 119.669 119.914 -0.326 0.000 2.343 98 V HA -0.291 3.831 4.120 0.003 0.000 0.247 98 V C 2.386 178.231 176.094 -0.414 0.000 1.051 98 V CA 1.719 63.745 62.300 -0.457 0.000 1.036 98 V CB -0.536 30.749 31.823 -0.896 0.000 0.654 98 V HN 0.407 nan 8.190 nan 0.000 0.451 99 K N 0.155 120.308 120.400 -0.412 0.000 2.360 99 K HA -0.087 4.234 4.320 0.003 0.000 0.201 99 K C 1.333 177.803 176.600 -0.216 0.000 1.046 99 K CA 0.842 56.980 56.287 -0.249 0.000 0.945 99 K CB -0.146 32.252 32.500 -0.169 0.000 0.750 99 K HN 0.445 nan 8.250 nan 0.000 0.464 100 N N -0.342 118.175 118.700 -0.305 0.000 2.270 100 N HA 0.022 4.764 4.740 0.003 0.000 0.198 100 N C 0.652 175.941 175.510 -0.368 0.000 1.117 100 N CA 0.729 53.476 53.050 -0.505 0.000 0.845 100 N CB 1.456 39.329 38.487 -1.024 0.000 0.980 100 N HN 0.335 nan 8.380 nan 0.000 0.486 101 G N 0.700 109.397 108.800 -0.171 0.000 2.175 101 G HA2 -0.228 3.734 3.960 0.003 0.000 0.244 101 G HA3 -0.228 3.734 3.960 0.003 0.000 0.244 101 G C 0.142 175.048 174.900 0.010 0.000 0.982 101 G CA -0.184 44.885 45.100 -0.052 0.000 0.641 101 G HN 0.138 nan 8.290 nan 0.000 0.527 102 K N 0.238 120.644 120.400 0.009 0.000 2.202 102 K HA 0.518 4.840 4.320 0.003 0.000 0.264 102 K C 0.593 177.181 176.600 -0.020 0.000 1.010 102 K CA -0.369 55.943 56.287 0.042 0.000 0.940 102 K CB 1.168 33.707 32.500 0.065 0.000 0.983 102 K HN 0.301 nan 8.250 nan 0.000 0.475 103 I N 2.416 122.986 120.570 0.001 0.000 2.304 103 I HA 0.133 4.305 4.170 0.003 0.000 0.291 103 I C -0.349 175.748 176.117 -0.032 0.000 1.018 103 I CA -0.807 60.487 61.300 -0.010 0.000 1.260 103 I CB 1.266 39.279 38.000 0.021 0.000 1.390 103 I HN 0.020 nan 8.210 nan 0.000 0.475 104 V N 7.376 127.251 119.914 -0.066 0.000 2.540 104 V HA 0.396 4.518 4.120 0.003 0.000 0.302 104 V C -0.163 175.902 176.094 -0.049 0.000 1.035 104 V CA -0.688 61.569 62.300 -0.072 0.000 0.873 104 V CB 2.278 34.027 31.823 -0.123 0.000 0.992 104 V HN 0.376 nan 8.190 nan 0.000 0.428 105 V N 3.689 123.586 119.914 -0.029 0.000 2.349 105 V HA 0.535 4.657 4.120 0.003 0.000 0.284 105 V C 0.039 176.130 176.094 -0.004 0.000 1.014 105 V CA -0.145 62.149 62.300 -0.011 0.000 0.826 105 V CB 1.528 33.347 31.823 -0.005 0.000 1.009 105 V HN 0.882 nan 8.190 nan 0.000 0.431 106 S N 3.586 119.292 115.700 0.010 0.000 2.532 106 S HA 0.437 4.909 4.470 0.003 0.000 0.301 106 S C 0.693 175.315 174.600 0.037 0.000 1.083 106 S CA -0.639 57.575 58.200 0.023 0.000 1.025 106 S CB 1.242 64.462 63.200 0.033 0.000 1.056 106 S HN 0.878 nan 8.310 nan 0.000 0.494 107 N N 2.495 121.216 118.700 0.034 0.000 2.214 107 N HA 0.250 4.991 4.740 0.003 0.000 0.214 107 N C 0.267 175.801 175.510 0.041 0.000 1.132 107 N CA -0.587 52.485 53.050 0.037 0.000 0.856 107 N CB 0.531 39.035 38.487 0.029 0.000 1.020 107 N HN 0.462 nan 8.380 nan 0.000 0.509 108 A N 1.165 124.012 122.820 0.046 0.000 2.316 108 A HA 0.344 4.666 4.320 0.003 0.000 0.284 108 A C 1.393 179.009 177.584 0.054 0.000 1.115 108 A CA -0.427 51.636 52.037 0.044 0.000 0.812 108 A CB 0.844 19.870 19.000 0.044 0.000 1.064 108 A HN 0.342 nan 8.150 nan 0.000 0.489 109 S N 0.957 116.678 115.700 0.036 0.000 2.382 109 S HA -0.029 4.443 4.470 0.003 0.000 0.228 109 S C -1.521 173.095 174.600 0.026 0.000 1.027 109 S CA 0.538 58.756 58.200 0.030 0.000 0.991 109 S CB -1.672 61.533 63.200 0.008 0.000 0.823 109 S HN 0.554 nan 8.310 nan 0.000 0.469 110 P HA 0.165 nan 4.420 nan 0.000 0.264 110 P C -0.026 177.309 177.300 0.058 0.000 1.183 110 P CA 0.322 63.363 63.100 -0.099 0.000 0.763 110 P CB -0.202 31.417 31.700 -0.136 0.000 0.807 111 F N -0.171 119.814 119.950 0.059 0.000 2.748 111 F HA -0.294 4.235 4.527 0.003 0.000 0.370 111 F C 1.804 177.648 175.800 0.074 0.000 0.620 111 F CA 0.949 59.001 58.000 0.086 0.000 1.233 111 F CB -1.674 37.398 39.000 0.121 0.000 1.708 111 F HN 0.403 nan 8.300 nan 0.000 0.298 112 R N -0.408 120.203 120.500 0.185 0.000 2.091 112 R HA -0.112 4.230 4.340 0.003 0.000 0.238 112 R C 1.499 177.866 176.300 0.113 0.000 1.136 112 R CA 1.761 57.940 56.100 0.132 0.000 0.959 112 R CB -0.233 30.117 30.300 0.083 0.000 0.856 112 R HN 0.208 nan 8.270 nan 0.000 0.437 113 M N 1.005 120.660 119.600 0.091 0.000 2.551 113 M HA 0.085 4.567 4.480 0.003 0.000 0.252 113 M C -0.210 176.138 176.300 0.080 0.000 1.219 113 M CA -0.164 55.178 55.300 0.070 0.000 0.978 113 M CB -0.297 32.328 32.600 0.041 0.000 1.533 113 M HN -0.029 nan 8.290 nan 0.000 0.474 114 D N 1.909 122.389 120.400 0.133 0.000 2.348 114 D HA 0.119 4.760 4.640 0.003 0.000 0.253 114 D C -1.846 174.504 176.300 0.083 0.000 1.161 114 D CA -1.447 52.638 54.000 0.142 0.000 0.876 114 D CB 2.257 43.224 40.800 0.278 0.000 1.160 114 D HN 0.020 nan 8.370 nan 0.000 0.459 115 P HA -0.084 nan 4.420 nan 0.000 0.219 115 P C 0.332 177.626 177.300 -0.010 0.000 1.146 115 P CA 0.875 63.976 63.100 0.001 0.000 0.808 115 P CB 0.349 32.039 31.700 -0.017 0.000 0.779 116 D N -1.499 118.892 120.400 -0.015 0.000 2.339 116 D HA 0.053 4.694 4.640 0.003 0.000 0.217 116 D C 0.171 176.472 176.300 0.002 0.000 1.050 116 D CA 0.447 54.424 54.000 -0.038 0.000 0.856 116 D CB 0.458 41.178 40.800 -0.133 0.000 0.922 116 D HN 0.067 nan 8.370 nan 0.000 0.518 117 V N 2.344 122.289 119.914 0.052 0.000 2.417 117 V HA 0.286 4.407 4.120 0.003 0.000 0.291 117 V C -2.356 173.791 176.094 0.088 0.000 1.024 117 V CA -1.964 60.396 62.300 0.099 0.000 0.861 117 V CB 1.977 33.901 31.823 0.168 0.000 0.985 117 V HN -0.193 nan 8.190 nan 0.000 0.436 118 P HA 0.230 nan 4.420 nan 0.000 0.271 118 P C -0.861 176.496 177.300 0.095 0.000 1.216 118 P CA -0.298 62.854 63.100 0.086 0.000 0.771 118 P CB 0.676 32.410 31.700 0.057 0.000 0.864 119 L N 5.507 126.802 121.223 0.119 0.000 2.301 119 L HA 0.404 4.746 4.340 0.003 0.000 0.278 119 L C -1.128 175.795 176.870 0.088 0.000 1.022 119 L CA -0.222 54.678 54.840 0.101 0.000 0.854 119 L CB -0.062 42.059 42.059 0.103 0.000 1.226 119 L HN 0.182 nan 8.230 nan 0.000 0.429 120 I N 4.276 124.884 120.570 0.064 0.000 2.412 120 I HA 0.427 4.599 4.170 0.003 0.000 0.296 120 I C -0.184 175.962 176.117 0.048 0.000 0.987 120 I CA -0.466 60.862 61.300 0.048 0.000 1.180 120 I CB 1.598 39.629 38.000 0.051 0.000 1.340 120 I HN 0.562 nan 8.210 nan 0.000 0.455 121 N N 8.136 126.864 118.700 0.045 0.000 2.664 121 N HA 0.335 5.077 4.740 0.003 0.000 0.257 121 N C -2.214 173.352 175.510 0.093 0.000 1.108 121 N CA -2.018 51.068 53.050 0.061 0.000 0.822 121 N CB 1.881 40.397 38.487 0.049 0.000 1.199 121 N HN 0.081 nan 8.380 nan 0.000 0.529 122 P HA -0.298 nan 4.420 nan 0.000 0.223 122 P C 0.629 178.089 177.300 0.265 0.000 1.073 122 P CA 2.043 65.247 63.100 0.173 0.000 1.008 122 P CB 0.404 32.174 31.700 0.117 0.000 0.760 123 E N -1.472 118.866 120.200 0.230 0.000 2.051 123 E HA -0.159 4.193 4.350 0.003 0.000 0.192 123 E C 1.995 178.829 176.600 0.391 0.000 0.991 123 E CA 1.149 57.735 56.400 0.310 0.000 0.799 123 E CB -0.823 29.083 29.700 0.343 0.000 0.748 123 E HN 0.209 nan 8.360 nan 0.000 0.449 124 I N 1.469 122.193 120.570 0.256 0.000 2.226 124 I HA -0.177 3.994 4.170 0.003 0.000 0.245 124 I C 0.804 176.903 176.117 -0.030 0.000 1.100 124 I CA 1.250 62.628 61.300 0.129 0.000 1.374 124 I CB -1.152 36.867 38.000 0.032 0.000 1.057 124 I HN 0.235 nan 8.210 nan 0.000 0.413 125 N N -0.567 118.065 118.700 -0.114 0.000 2.577 125 N HA -0.066 4.675 4.740 0.003 0.000 0.285 125 N C 0.831 176.118 175.510 -0.372 0.000 1.658 125 N CA -0.503 52.275 53.050 -0.454 0.000 0.865 125 N CB -1.119 36.845 38.487 -0.872 0.000 1.419 125 N HN 0.480 nan 8.380 nan 0.000 0.495 126 W N 0.944 122.204 121.300 -0.066 0.000 2.321 126 W HA -0.149 4.512 4.660 0.002 0.000 0.285 126 W C 0.289 176.826 176.519 0.029 0.000 1.213 126 W CA 0.959 58.298 57.345 -0.010 0.000 1.205 126 W CB -0.845 28.630 29.460 0.025 0.000 1.134 126 W HN 0.090 nan 8.180 nan 0.000 0.549 127 E N 0.316 120.034 120.200 -0.803 0.000 2.160 127 E HA -0.221 4.131 4.350 0.003 0.000 0.195 127 E C 1.724 178.304 176.600 -0.034 0.000 0.991 127 E CA 1.885 57.940 56.400 -0.576 0.000 0.810 127 E CB -1.011 28.248 29.700 -0.734 0.000 0.742 127 E HN 0.542 nan 8.360 nan 0.000 0.466 128 H N -0.128 118.856 119.070 -0.144 0.000 2.543 128 H HA -0.030 4.527 4.556 0.003 0.000 0.286 128 H C 1.665 176.976 175.328 -0.028 0.000 1.037 128 H CA 0.126 56.139 56.048 -0.057 0.000 1.250 128 H CB -0.050 29.686 29.762 -0.043 0.000 1.373 128 H HN 0.138 nan 8.280 nan 0.000 0.580 129 L N 0.689 121.954 121.223 0.070 0.000 2.353 129 L HA -0.174 4.168 4.340 0.003 0.000 0.220 129 L C 2.112 178.924 176.870 -0.097 0.000 1.133 129 L CA 0.923 55.684 54.840 -0.132 0.000 0.798 129 L CB -0.202 41.646 42.059 -0.352 0.000 0.922 129 L HN 0.373 nan 8.230 nan 0.000 0.445 130 E N 0.088 120.372 120.200 0.140 0.000 2.267 130 E HA -0.223 4.129 4.350 0.003 0.000 0.197 130 E C 2.255 178.986 176.600 0.218 0.000 0.998 130 E CA 0.745 57.295 56.400 0.250 0.000 0.830 130 E CB -0.080 29.779 29.700 0.265 0.000 0.751 130 E HN 0.537 nan 8.360 nan 0.000 0.491 131 L N 0.608 121.934 121.223 0.173 0.000 2.189 131 L HA -0.240 4.101 4.340 0.003 0.000 0.214 131 L C 2.262 179.226 176.870 0.156 0.000 1.097 131 L CA 0.822 55.787 54.840 0.208 0.000 0.764 131 L CB -0.433 41.685 42.059 0.098 0.000 0.900 131 L HN 0.262 nan 8.230 nan 0.000 0.436 132 L N -0.407 120.850 121.223 0.057 0.000 2.191 132 L HA -0.222 4.120 4.340 0.003 0.000 0.212 132 L C 2.381 179.227 176.870 -0.039 0.000 1.103 132 L CA 1.246 56.103 54.840 0.028 0.000 0.769 132 L CB -0.526 41.531 42.059 -0.004 0.000 0.908 132 L HN 0.266 nan 8.230 nan 0.000 0.438 133 K N -0.297 119.974 120.400 -0.215 0.000 2.362 133 K HA -0.094 4.228 4.320 0.003 0.000 0.200 133 K C 1.012 177.126 176.600 -0.810 0.000 1.046 133 K CA 1.137 57.067 56.287 -0.594 0.000 0.952 133 K CB 0.036 31.941 32.500 -0.992 0.000 0.753 133 K HN 0.274 nan 8.250 nan 0.000 0.466 134 F N -0.555 119.416 119.950 0.035 0.000 2.746 134 F HA 0.168 4.697 4.527 0.003 0.000 0.320 134 F C 2.063 177.842 175.800 -0.035 0.000 1.097 134 F CA -0.585 57.413 58.000 -0.002 0.000 1.195 134 F CB -0.044 38.948 39.000 -0.014 0.000 1.056 134 F HN -0.095 nan 8.300 nan 0.000 0.562 135 Q N 1.634 121.481 119.800 0.079 0.000 2.135 135 Q HA -0.197 4.145 4.340 0.003 0.000 0.204 135 Q C 1.736 177.694 176.000 -0.070 0.000 0.981 135 Q CA 1.887 57.686 55.803 -0.008 0.000 0.856 135 Q CB 0.092 28.855 28.738 0.041 0.000 0.902 135 Q HN 0.401 nan 8.270 nan 0.000 0.425 136 K N 0.226 120.631 120.400 0.008 0.000 2.057 136 K HA -0.174 4.147 4.320 0.003 0.000 0.206 136 K C 2.060 178.643 176.600 -0.028 0.000 1.050 136 K CA 1.383 57.681 56.287 0.018 0.000 0.935 136 K CB -0.119 32.413 32.500 0.053 0.000 0.715 136 K HN 0.290 nan 8.250 nan 0.000 0.439 137 E N 1.147 121.345 120.200 -0.003 0.000 2.106 137 E HA -0.177 4.174 4.350 0.003 0.000 0.192 137 E C 1.945 178.517 176.600 -0.047 0.000 0.984 137 E CA 1.029 57.429 56.400 -0.001 0.000 0.806 137 E CB 0.214 29.945 29.700 0.051 0.000 0.750 137 E HN 0.213 nan 8.360 nan 0.000 0.458 138 R N -0.327 120.126 120.500 -0.079 0.000 2.119 138 R HA 0.024 4.366 4.340 0.003 0.000 0.222 138 R C 1.940 178.088 176.300 -0.253 0.000 1.088 138 R CA 0.812 56.831 56.100 -0.135 0.000 0.984 138 R CB 0.180 30.407 30.300 -0.121 0.000 0.884 138 R HN -0.069 nan 8.270 nan 0.000 0.447 139 K N -1.069 119.074 120.400 -0.427 0.000 2.354 139 K HA 0.216 4.537 4.320 0.003 0.000 0.194 139 K C 1.168 177.486 176.600 -0.470 0.000 1.038 139 K CA 0.830 56.681 56.287 -0.727 0.000 1.052 139 K CB 1.184 32.571 32.500 -1.856 0.000 0.861 139 K HN 0.353 nan 8.250 nan 0.000 0.535 140 G N 1.104 109.770 108.800 -0.224 0.000 2.234 140 G HA2 -0.200 3.762 3.960 0.003 0.000 0.260 140 G HA3 -0.200 3.762 3.960 0.003 0.000 0.260 140 G C -0.044 174.916 174.900 0.100 0.000 0.987 140 G CA 0.112 45.186 45.100 -0.043 0.000 0.625 140 G HN 0.089 nan 8.290 nan 0.000 0.532 141 W N 0.920 122.201 121.300 -0.031 0.000 2.187 141 W HA 0.498 5.160 4.660 0.003 0.000 0.348 141 W C 1.350 177.845 176.519 -0.041 0.000 1.282 141 W CA 0.053 57.369 57.345 -0.048 0.000 1.271 141 W CB 0.196 29.614 29.460 -0.070 0.000 1.170 141 W HN 0.140 nan 8.180 nan 0.000 0.583 142 K N 1.051 121.557 120.400 0.176 0.000 2.308 142 K HA 0.139 4.460 4.320 0.003 0.000 0.197 142 K C 1.414 178.055 176.600 0.068 0.000 1.049 142 K CA 0.503 56.838 56.287 0.080 0.000 0.991 142 K CB 0.209 32.715 32.500 0.011 0.000 0.836 142 K HN 0.471 nan 8.250 nan 0.000 0.500 143 G N 1.004 109.830 108.800 0.044 0.000 2.509 143 G HA2 0.436 4.397 3.960 0.003 0.000 0.269 143 G HA3 0.436 4.397 3.960 0.003 0.000 0.269 143 G C -0.535 174.408 174.900 0.072 0.000 1.416 143 G CA -0.426 44.673 45.100 -0.003 0.000 1.052 143 G HN -0.055 nan 8.290 nan 0.000 0.542 144 I N -0.014 120.561 120.570 0.009 0.000 2.607 144 I HA 0.359 4.531 4.170 0.003 0.000 0.290 144 I C -1.394 174.713 176.117 -0.018 0.000 1.129 144 I CA -0.477 60.862 61.300 0.066 0.000 1.042 144 I CB 1.668 39.705 38.000 0.061 0.000 1.242 144 I HN 0.292 nan 8.210 nan 0.000 0.421 145 L N 7.623 128.875 121.223 0.048 0.000 2.356 145 L HA 0.735 5.076 4.340 0.003 0.000 0.277 145 L C -1.080 175.812 176.870 0.038 0.000 0.996 145 L CA -0.398 54.422 54.840 -0.033 0.000 0.822 145 L CB 1.832 43.784 42.059 -0.178 0.000 1.256 145 L HN 0.296 nan 8.230 nan 0.000 0.413 146 V N 4.610 124.529 119.914 0.009 0.000 2.680 146 V HA 0.681 4.802 4.120 0.003 0.000 0.309 146 V C -0.364 175.752 176.094 0.037 0.000 1.052 146 V CA -0.888 61.426 62.300 0.023 0.000 0.908 146 V CB 2.022 33.843 31.823 -0.003 0.000 1.001 146 V HN 0.619 nan 8.190 nan 0.000 0.431 147 K N 2.384 122.819 120.400 0.060 0.000 2.340 147 K HA 0.589 4.911 4.320 0.003 0.000 0.244 147 K C -1.067 175.569 176.600 0.061 0.000 0.973 147 K CA -0.738 55.591 56.287 0.071 0.000 0.828 147 K CB 2.484 35.048 32.500 0.108 0.000 1.226 147 K HN 0.738 nan 8.250 nan 0.000 0.437 148 N N 1.687 120.421 118.700 0.057 0.000 2.314 148 N HA 0.418 5.160 4.740 0.003 0.000 0.304 148 N C -2.560 172.981 175.510 0.053 0.000 1.073 148 N CA -1.426 51.654 53.050 0.050 0.000 0.822 148 N CB 2.202 40.713 38.487 0.041 0.000 1.280 148 N HN 0.265 nan 8.380 nan 0.000 0.489 149 P HA -0.028 nan 4.420 nan 0.000 0.275 149 P C -0.945 176.382 177.300 0.044 0.000 1.266 149 P CA -0.378 62.751 63.100 0.048 0.000 0.793 149 P CB 0.597 32.325 31.700 0.045 0.000 1.074 150 N N 0.297 119.022 118.700 0.041 0.000 2.356 150 N HA -0.075 4.666 4.740 0.003 0.000 0.252 150 N C 1.445 176.988 175.510 0.055 0.000 1.241 150 N CA 0.051 53.126 53.050 0.042 0.000 0.861 150 N CB 0.432 38.938 38.487 0.032 0.000 1.075 150 N HN 0.521 nan 8.380 nan 0.000 0.461 151 C N 2.149 121.491 119.300 0.069 0.000 2.401 151 C HA -0.124 4.338 4.460 0.003 0.000 0.276 151 C C 2.434 177.499 174.990 0.124 0.000 1.233 151 C CA 1.315 60.381 59.018 0.080 0.000 1.753 151 C CB -1.655 26.124 27.740 0.065 0.000 2.029 151 C HN 0.798 nan 8.230 nan 0.000 0.478 152 T N 1.828 116.485 114.554 0.171 0.000 2.788 152 T HA 0.012 4.364 4.350 0.003 0.000 0.268 152 T C 2.293 177.036 174.700 0.071 0.000 1.044 152 T CA 1.905 64.095 62.100 0.149 0.000 1.139 152 T CB -0.563 68.334 68.868 0.047 0.000 0.867 152 T HN 0.804 nan 8.240 nan 0.000 0.454 153 A N 1.393 124.243 122.820 0.050 0.000 1.930 153 A HA 0.252 4.574 4.320 0.003 0.000 0.217 153 A C 2.638 180.243 177.584 0.034 0.000 1.175 153 A CA 1.602 53.660 52.037 0.034 0.000 0.627 153 A CB -0.997 18.020 19.000 0.030 0.000 0.815 153 A HN 0.502 nan 8.150 nan 0.000 0.443 154 A N 0.099 122.944 122.820 0.043 0.000 1.877 154 A HA -0.068 4.254 4.320 0.003 0.000 0.216 154 A C 2.122 179.727 177.584 0.036 0.000 1.186 154 A CA 1.508 53.568 52.037 0.039 0.000 0.620 154 A CB -0.567 18.457 19.000 0.040 0.000 0.822 154 A HN 0.485 nan 8.150 nan 0.000 0.443 155 I N -0.657 119.939 120.570 0.043 0.000 2.202 155 I HA -0.258 3.914 4.170 0.003 0.000 0.242 155 I C 2.543 178.675 176.117 0.026 0.000 1.091 155 I CA 1.166 62.490 61.300 0.039 0.000 1.368 155 I CB -0.341 37.694 38.000 0.057 0.000 1.058 155 I HN 0.256 nan 8.210 nan 0.000 0.410 156 M N 0.522 120.137 119.600 0.026 0.000 2.159 156 M HA -0.144 4.338 4.480 0.003 0.000 0.263 156 M C 2.596 178.891 176.300 -0.009 0.000 1.063 156 M CA 1.861 57.166 55.300 0.009 0.000 1.110 156 M CB -1.534 31.072 32.600 0.010 0.000 1.374 156 M HN 0.368 nan 8.290 nan 0.000 0.411 157 S N -0.453 115.244 115.700 -0.006 0.000 2.515 157 S HA -0.057 4.415 4.470 0.003 0.000 0.231 157 S C 1.881 176.448 174.600 -0.055 0.000 0.987 157 S CA 0.543 58.728 58.200 -0.024 0.000 0.936 157 S CB -0.246 62.949 63.200 -0.008 0.000 0.766 157 S HN 0.269 nan 8.310 nan 0.000 0.528 158 M N 2.406 121.981 119.600 -0.042 0.000 2.059 158 M HA 0.030 4.512 4.480 0.003 0.000 0.259 158 M C -0.556 175.642 176.300 -0.171 0.000 1.072 158 M CA 1.258 56.514 55.300 -0.072 0.000 1.117 158 M CB -2.581 30.014 32.600 -0.007 0.000 1.320 158 M HN 0.283 nan 8.290 nan 0.000 0.408 159 P HA -0.008 nan 4.420 nan 0.000 0.227 159 P C 1.809 179.022 177.300 -0.145 0.000 1.161 159 P CA 1.140 64.160 63.100 -0.134 0.000 0.788 159 P CB -0.071 31.590 31.700 -0.065 0.000 0.822 160 I N -0.069 120.433 120.570 -0.114 0.000 2.394 160 I HA -0.209 3.963 4.170 0.003 0.000 0.251 160 I C 2.619 178.662 176.117 -0.122 0.000 1.136 160 I CA 1.186 62.430 61.300 -0.093 0.000 1.425 160 I CB -0.378 37.588 38.000 -0.057 0.000 1.079 160 I HN -0.071 nan 8.210 nan 0.000 0.425 161 K N 2.198 122.490 120.400 -0.181 0.000 1.991 161 K HA -0.139 4.182 4.320 0.003 0.000 0.212 161 K C -0.662 175.807 176.600 -0.218 0.000 1.049 161 K CA 1.823 57.992 56.287 -0.196 0.000 0.932 161 K CB -1.544 30.805 32.500 -0.252 0.000 0.717 161 K HN 0.135 nan 8.250 nan 0.000 0.441 162 P HA -0.109 nan 4.420 nan 0.000 0.228 162 P C 0.234 177.472 177.300 -0.104 0.000 1.151 162 P CA 1.185 64.143 63.100 -0.236 0.000 0.770 162 P CB 0.084 31.576 31.700 -0.348 0.000 0.786 163 L N -1.298 119.861 121.223 -0.108 0.000 3.066 163 L HA 0.221 4.563 4.340 0.003 0.000 0.265 163 L C 1.896 178.737 176.870 -0.049 0.000 1.232 163 L CA -0.409 54.393 54.840 -0.064 0.000 1.031 163 L CB -0.130 41.891 42.059 -0.063 0.000 1.379 163 L HN -0.191 nan 8.230 nan 0.000 0.563 164 I N 0.669 121.210 120.570 -0.048 0.000 2.423 164 I HA -0.250 3.922 4.170 0.003 0.000 0.254 164 I C 2.206 178.312 176.117 -0.018 0.000 1.151 164 I CA 1.795 63.076 61.300 -0.032 0.000 1.421 164 I CB 0.007 37.991 38.000 -0.026 0.000 1.079 164 I HN 0.310 nan 8.210 nan 0.000 0.431 165 E N 0.075 120.266 120.200 -0.015 0.000 2.106 165 E HA -0.190 4.162 4.350 0.003 0.000 0.192 165 E C 2.276 178.869 176.600 -0.012 0.000 0.984 165 E CA 1.603 57.997 56.400 -0.009 0.000 0.806 165 E CB -0.130 29.566 29.700 -0.006 0.000 0.750 165 E HN 0.552 nan 8.360 nan 0.000 0.458 166 I N 0.731 121.291 120.570 -0.018 0.000 2.400 166 I HA -0.121 4.051 4.170 0.003 0.000 0.248 166 I C 2.542 178.652 176.117 -0.012 0.000 1.109 166 I CA 0.540 61.830 61.300 -0.017 0.000 1.425 166 I CB -0.244 37.739 38.000 -0.027 0.000 1.094 166 I HN 0.021 nan 8.210 nan 0.000 0.425 167 A N 0.622 123.432 122.820 -0.015 0.000 1.978 167 A HA -0.192 4.130 4.320 0.003 0.000 0.220 167 A C 2.320 179.900 177.584 -0.007 0.000 1.170 167 A CA 2.342 54.372 52.037 -0.012 0.000 0.636 167 A CB -1.025 17.964 19.000 -0.019 0.000 0.810 167 A HN 0.381 nan 8.150 nan 0.000 0.448 168 T N -0.315 114.235 114.554 -0.007 0.000 2.995 168 T HA -0.005 4.346 4.350 0.003 0.000 0.269 168 T C 1.086 175.785 174.700 -0.002 0.000 1.091 168 T CA 1.239 63.336 62.100 -0.004 0.000 1.128 168 T CB -0.093 68.773 68.868 -0.004 0.000 0.891 168 T HN 0.475 nan 8.240 nan 0.000 0.492 169 K N 2.198 122.597 120.400 -0.001 0.000 3.095 169 K HA 0.298 4.619 4.320 0.003 0.000 0.220 169 K C -0.278 176.324 176.600 0.004 0.000 1.216 169 K CA -0.300 55.988 56.287 0.001 0.000 1.167 169 K CB 0.353 32.853 32.500 0.001 0.000 1.199 169 K HN 0.316 nan 8.250 nan 0.000 0.458 170 S N -0.960 114.743 115.700 0.004 0.000 2.636 170 S HA 0.368 4.840 4.470 0.003 0.000 0.266 170 S C -1.452 173.151 174.600 0.005 0.000 1.147 170 S CA -1.241 56.963 58.200 0.007 0.000 0.815 170 S CB 1.281 64.487 63.200 0.011 0.000 1.119 170 S HN 0.073 nan 8.310 nan 0.000 0.470 171 K N 0.922 121.326 120.400 0.007 0.000 2.240 171 K HA 0.548 4.870 4.320 0.003 0.000 0.271 171 K C -1.017 175.586 176.600 0.005 0.000 1.018 171 K CA -0.380 55.910 56.287 0.005 0.000 0.874 171 K CB 1.142 33.645 32.500 0.004 0.000 1.098 171 K HN 0.525 nan 8.250 nan 0.000 0.458 172 I N 4.908 125.480 120.570 0.003 0.000 2.304 172 I HA 0.229 4.401 4.170 0.003 0.000 0.291 172 I C -0.210 175.908 176.117 0.002 0.000 1.018 172 I CA -0.705 60.596 61.300 0.003 0.000 1.260 172 I CB 0.677 38.677 38.000 -0.000 0.000 1.390 172 I HN 0.323 nan 8.210 nan 0.000 0.475 173 I N 7.874 128.446 120.570 0.003 0.000 2.339 173 I HA 0.477 4.648 4.170 0.003 0.000 0.290 173 I C -0.056 176.062 176.117 0.001 0.000 0.994 173 I CA -0.416 60.885 61.300 0.002 0.000 1.191 173 I CB 1.265 39.267 38.000 0.002 0.000 1.343 173 I HN 0.454 nan 8.210 nan 0.000 0.458 174 I N 5.040 125.610 120.570 -0.000 0.000 2.545 174 I HA 0.385 4.556 4.170 0.003 0.000 0.292 174 I C -0.192 175.922 176.117 -0.005 0.000 1.040 174 I CA -0.335 60.964 61.300 -0.002 0.000 1.068 174 I CB 2.553 40.551 38.000 -0.003 0.000 1.251 174 I HN 0.426 nan 8.210 nan 0.000 0.424 175 T N 3.033 117.583 114.554 -0.006 0.000 2.809 175 T HA 0.470 4.821 4.350 0.003 0.000 0.284 175 T C -0.237 174.454 174.700 -0.016 0.000 0.992 175 T CA -0.609 61.485 62.100 -0.010 0.000 0.957 175 T CB 1.420 70.283 68.868 -0.007 0.000 0.942 175 T HN 0.722 nan 8.240 nan 0.000 0.439 176 T N 1.344 115.880 114.554 -0.030 0.000 2.829 176 T HA 0.737 5.088 4.350 0.003 0.000 0.280 176 T C -0.796 173.864 174.700 -0.066 0.000 0.999 176 T CA -0.953 61.119 62.100 -0.048 0.000 0.983 176 T CB 0.703 69.528 68.868 -0.073 0.000 0.968 176 T HN 0.187 nan 8.240 nan 0.000 0.446 177 L N 3.137 124.326 121.223 -0.058 0.000 2.318 177 L HA 0.425 4.767 4.340 0.003 0.000 0.277 177 L C 0.255 177.075 176.870 -0.083 0.000 1.008 177 L CA -0.356 54.450 54.840 -0.057 0.000 0.846 177 L CB 1.375 43.422 42.059 -0.020 0.000 1.220 177 L HN 0.699 nan 8.230 nan 0.000 0.423 178 Q N 1.912 121.607 119.800 -0.175 0.000 2.245 178 Q HA 0.784 5.125 4.340 0.003 0.000 0.256 178 Q C -0.081 175.912 176.000 -0.012 0.000 0.942 178 Q CA -0.886 54.733 55.803 -0.307 0.000 0.896 178 Q CB 2.182 30.470 28.738 -0.751 0.000 1.272 178 Q HN 0.708 nan 8.270 nan 0.000 0.442 179 A N 1.871 124.850 122.820 0.265 0.000 2.425 179 A HA 0.111 4.433 4.320 0.003 0.000 0.242 179 A C 1.136 178.789 177.584 0.115 0.000 1.077 179 A CA -0.419 51.718 52.037 0.166 0.000 0.781 179 A CB 0.346 19.432 19.000 0.143 0.000 1.020 179 A HN 0.704 nan 8.150 nan 0.000 0.494 180 V N 2.142 122.079 119.914 0.039 0.000 2.392 180 V HA -0.254 3.868 4.120 0.003 0.000 0.249 180 V C 2.791 178.893 176.094 0.012 0.000 1.059 180 V CA 2.706 65.009 62.300 0.005 0.000 1.051 180 V CB -1.032 30.772 31.823 -0.031 0.000 0.658 180 V HN 1.146 nan 8.190 nan 0.000 0.455 181 S N 0.984 116.694 115.700 0.016 0.000 2.465 181 S HA -0.142 4.329 4.470 0.003 0.000 0.241 181 S C 2.024 176.650 174.600 0.044 0.000 1.000 181 S CA 1.312 59.522 58.200 0.017 0.000 0.964 181 S CB -0.905 62.301 63.200 0.011 0.000 0.763 181 S HN 0.588 nan 8.310 nan 0.000 0.512 182 G N 1.146 110.006 108.800 0.099 0.000 2.448 182 G HA2 0.140 4.101 3.960 0.003 0.000 0.219 182 G HA3 0.140 4.101 3.960 0.003 0.000 0.219 182 G C 1.161 176.104 174.900 0.071 0.000 1.127 182 G CA 0.503 45.688 45.100 0.142 0.000 0.766 182 G HN 0.860 nan 8.290 nan 0.000 0.552 183 A N -0.267 122.576 122.820 0.039 0.000 2.507 183 A HA 0.606 4.928 4.320 0.003 0.000 0.270 183 A C 1.193 178.790 177.584 0.022 0.000 1.318 183 A CA 0.900 52.946 52.037 0.015 0.000 0.924 183 A CB -0.604 18.392 19.000 -0.007 0.000 1.061 183 A HN 1.702 nan 8.150 nan 0.000 0.516 184 G N -1.906 106.917 108.800 0.039 0.000 2.730 184 G HA2 -0.250 3.712 3.960 0.003 0.000 0.686 184 G HA3 -0.250 3.712 3.960 0.003 0.000 0.686 184 G C 0.184 175.132 174.900 0.080 0.000 1.343 184 G CA 0.003 45.142 45.100 0.064 0.000 0.826 184 G HN 0.599 nan 8.290 nan 0.000 0.582 185 Y N 0.887 121.181 120.300 -0.010 0.000 2.207 185 Y HA -0.073 4.479 4.550 0.002 0.000 0.287 185 Y C 2.289 178.190 175.900 0.001 0.000 1.156 185 Y CA 2.697 60.790 58.100 -0.012 0.000 1.182 185 Y CB 0.093 38.538 38.460 -0.026 0.000 0.979 185 Y HN 0.556 nan 8.280 nan 0.000 0.521 186 N N -1.064 117.689 118.700 0.088 0.000 2.338 186 N HA 0.167 4.909 4.740 0.003 0.000 0.251 186 N C 1.353 176.871 175.510 0.014 0.000 1.199 186 N CA 0.325 53.392 53.050 0.028 0.000 0.879 186 N CB 0.505 39.045 38.487 0.089 0.000 1.159 186 N HN 0.294 nan 8.380 nan 0.000 0.514 187 G N 0.556 109.359 108.800 0.004 0.000 2.403 187 G HA2 0.021 3.982 3.960 0.003 0.000 0.216 187 G HA3 0.021 3.982 3.960 0.003 0.000 0.216 187 G C 0.494 175.389 174.900 -0.007 0.000 1.154 187 G CA 0.541 45.642 45.100 0.003 0.000 0.784 187 G HN 0.194 nan 8.290 nan 0.000 0.538 188 I N 1.073 121.631 120.570 -0.021 0.000 2.509 188 I HA 0.289 4.461 4.170 0.003 0.000 0.293 188 I C 0.026 176.137 176.117 -0.011 0.000 1.020 188 I CA -0.861 60.428 61.300 -0.019 0.000 1.088 188 I CB 2.367 40.349 38.000 -0.030 0.000 1.267 188 I HN 0.086 nan 8.210 nan 0.000 0.430 189 S N 4.389 120.093 115.700 0.007 0.000 2.592 189 S HA 0.214 4.686 4.470 0.003 0.000 0.271 189 S C 0.809 175.446 174.600 0.061 0.000 1.326 189 S CA -0.418 57.807 58.200 0.042 0.000 1.024 189 S CB 0.997 64.225 63.200 0.046 0.000 0.921 189 S HN 0.626 nan 8.310 nan 0.000 0.527 190 F N 2.196 122.122 119.950 -0.039 0.000 2.126 190 F HA -0.115 4.413 4.527 0.001 0.000 0.299 190 F C 2.186 177.972 175.800 -0.024 0.000 1.096 190 F CA 1.736 59.715 58.000 -0.036 0.000 1.255 190 F CB -0.333 38.647 39.000 -0.033 0.000 0.997 190 F HN 0.481 nan 8.300 nan 0.000 0.479 191 M N 0.283 119.938 119.600 0.090 0.000 2.149 191 M HA -0.160 4.322 4.480 0.003 0.000 0.261 191 M C 2.460 178.709 176.300 -0.086 0.000 1.064 191 M CA 1.679 56.978 55.300 -0.001 0.000 1.102 191 M CB -1.983 30.658 32.600 0.069 0.000 1.369 191 M HN 0.337 nan 8.290 nan 0.000 0.408 192 A N -1.081 121.703 122.820 -0.061 0.000 2.067 192 A HA -0.031 4.290 4.320 0.003 0.000 0.217 192 A C 2.112 179.639 177.584 -0.095 0.000 1.156 192 A CA 1.119 53.120 52.037 -0.060 0.000 0.683 192 A CB -0.314 18.669 19.000 -0.029 0.000 0.808 192 A HN 0.422 nan 8.150 nan 0.000 0.455 193 I N -0.961 119.518 120.570 -0.151 0.000 4.124 193 I HA 0.145 4.316 4.170 0.003 0.000 0.311 193 I C 0.486 176.464 176.117 -0.233 0.000 1.259 193 I CA 0.160 61.367 61.300 -0.156 0.000 1.315 193 I CB 0.291 38.222 38.000 -0.114 0.000 1.223 193 I HN 0.288 nan 8.210 nan 0.000 0.441 194 E N 1.459 121.401 120.200 -0.430 0.000 2.558 194 E HA 0.294 4.646 4.350 0.003 0.000 0.255 194 E C 1.130 177.546 176.600 -0.307 0.000 0.968 194 E CA 0.733 56.815 56.400 -0.530 0.000 0.939 194 E CB -0.342 28.582 29.700 -1.293 0.000 0.921 194 E HN 0.477 nan 8.360 nan 0.000 0.477 195 G N 2.909 111.593 108.800 -0.192 0.000 2.203 195 G HA2 -0.368 3.594 3.960 0.003 0.000 0.263 195 G HA3 -0.368 3.594 3.960 0.003 0.000 0.263 195 G C 0.054 174.897 174.900 -0.095 0.000 1.012 195 G CA 0.624 45.656 45.100 -0.114 0.000 0.749 195 G HN 0.867 nan 8.290 nan 0.000 0.512 196 N N -1.136 117.502 118.700 -0.104 0.000 3.102 196 N HA 0.819 5.561 4.740 0.003 0.000 0.299 196 N C -0.874 174.600 175.510 -0.060 0.000 1.482 196 N CA -0.813 52.191 53.050 -0.077 0.000 0.785 196 N CB 1.366 39.801 38.487 -0.086 0.000 1.680 196 N HN 0.135 nan 8.380 nan 0.000 0.594 197 I N 1.030 121.574 120.570 -0.044 0.000 2.644 197 I HA 0.403 4.575 4.170 0.003 0.000 0.291 197 I C -1.104 175.000 176.117 -0.021 0.000 1.180 197 I CA -0.462 60.819 61.300 -0.032 0.000 1.040 197 I CB 2.088 40.074 38.000 -0.024 0.000 1.255 197 I HN 0.404 nan 8.210 nan 0.000 0.422 198 I N 7.705 128.267 120.570 -0.014 0.000 2.390 198 I HA 0.282 4.453 4.170 0.003 0.000 0.283 198 I C -1.929 174.205 176.117 0.028 0.000 1.016 198 I CA -1.532 59.775 61.300 0.010 0.000 1.151 198 I CB 1.763 39.768 38.000 0.009 0.000 1.293 198 I HN 0.306 nan 8.210 nan 0.000 0.458 199 P HA -0.018 nan 4.420 nan 0.000 0.261 199 P C -0.961 176.433 177.300 0.156 0.000 1.650 199 P CA 0.397 63.534 63.100 0.061 0.000 0.846 199 P CB -0.368 31.354 31.700 0.036 0.000 1.758 200 Y N 0.140 120.419 120.300 -0.035 0.000 2.474 200 Y HA 0.460 5.011 4.550 0.002 0.000 0.326 200 Y C -1.753 174.126 175.900 -0.034 0.000 1.160 200 Y CA -1.422 56.659 58.100 -0.032 0.000 1.056 200 Y CB 1.249 39.694 38.460 -0.026 0.000 1.330 200 Y HN -0.156 nan 8.280 nan 0.000 0.447 201 I N 6.259 126.426 120.570 -0.672 0.000 2.540 201 I HA 0.205 4.377 4.170 0.003 0.000 0.280 201 I C -0.895 174.740 176.117 -0.803 0.000 1.083 201 I CA -1.096 59.843 61.300 -0.603 0.000 1.080 201 I CB 1.670 39.496 38.000 -0.289 0.000 1.205 201 I HN 0.526 nan 8.210 nan 0.000 0.459 202 K N 5.219 125.041 120.400 -0.963 0.000 2.438 202 K HA -0.029 4.292 4.320 0.003 0.000 0.270 202 K C 1.233 177.694 176.600 -0.231 0.000 1.095 202 K CA 1.658 57.623 56.287 -0.537 0.000 1.174 202 K CB -0.202 32.163 32.500 -0.225 0.000 0.830 202 K HN 0.868 nan 8.250 nan 0.000 0.487 203 G N 3.115 111.852 108.800 -0.106 0.000 2.196 203 G HA2 -0.395 3.567 3.960 0.003 0.000 0.268 203 G HA3 -0.395 3.567 3.960 0.003 0.000 0.268 203 G C 0.880 175.748 174.900 -0.053 0.000 0.975 203 G CA 0.821 45.895 45.100 -0.042 0.000 0.648 203 G HN 0.726 nan 8.290 nan 0.000 0.538 204 E N 0.464 120.608 120.200 -0.095 0.000 2.028 204 E HA -0.007 4.345 4.350 0.003 0.000 0.191 204 E C 2.230 178.806 176.600 -0.039 0.000 0.988 204 E CA 1.888 58.243 56.400 -0.075 0.000 0.799 204 E CB -0.296 29.336 29.700 -0.113 0.000 0.755 204 E HN 0.693 nan 8.360 nan 0.000 0.447 205 E N -0.017 120.168 120.200 -0.026 0.000 2.097 205 E HA -0.241 4.111 4.350 0.003 0.000 0.196 205 E C 1.761 178.363 176.600 0.004 0.000 1.000 205 E CA 1.461 57.859 56.400 -0.002 0.000 0.804 205 E CB -0.164 29.549 29.700 0.022 0.000 0.740 205 E HN 0.320 nan 8.360 nan 0.000 0.454 206 D N 0.361 120.766 120.400 0.008 0.000 2.117 206 D HA -0.131 4.510 4.640 0.003 0.000 0.198 206 D C 1.633 177.936 176.300 0.005 0.000 0.982 206 D CA 1.190 55.195 54.000 0.009 0.000 0.828 206 D CB 0.169 40.977 40.800 0.013 0.000 0.967 206 D HN -0.014 nan 8.370 nan 0.000 0.464 207 K N -0.132 120.269 120.400 0.000 0.000 2.026 207 K HA -0.095 4.226 4.320 0.003 0.000 0.208 207 K C 2.290 178.895 176.600 0.008 0.000 1.048 207 K CA 1.051 57.340 56.287 0.004 0.000 0.929 207 K CB -0.118 32.381 32.500 -0.000 0.000 0.713 207 K HN 0.269 nan 8.250 nan 0.000 0.439 208 I N 1.101 121.673 120.570 0.003 0.000 2.099 208 I HA -0.321 3.851 4.170 0.003 0.000 0.239 208 I C 2.596 178.718 176.117 0.008 0.000 1.066 208 I CA 1.327 62.630 61.300 0.005 0.000 1.324 208 I CB -0.524 37.475 38.000 -0.003 0.000 1.037 208 I HN 0.176 nan 8.210 nan 0.000 0.401 209 A N 0.956 123.780 122.820 0.006 0.000 1.865 209 A HA -0.255 4.067 4.320 0.003 0.000 0.217 209 A C 2.336 179.926 177.584 0.010 0.000 1.191 209 A CA 1.968 54.009 52.037 0.007 0.000 0.623 209 A CB -0.572 18.431 19.000 0.006 0.000 0.826 209 A HN 0.353 nan 8.150 nan 0.000 0.444 210 K N -0.533 119.873 120.400 0.011 0.000 2.025 210 K HA -0.138 4.184 4.320 0.003 0.000 0.207 210 K C 2.003 178.615 176.600 0.020 0.000 1.049 210 K CA 1.576 57.871 56.287 0.014 0.000 0.933 210 K CB -0.227 32.281 32.500 0.013 0.000 0.714 210 K HN 0.617 nan 8.250 nan 0.000 0.438 211 E N 0.721 120.935 120.200 0.023 0.000 2.150 211 E HA -0.167 4.185 4.350 0.003 0.000 0.193 211 E C 1.892 178.511 176.600 0.031 0.000 0.985 211 E CA 0.531 56.950 56.400 0.032 0.000 0.814 211 E CB 0.001 29.720 29.700 0.032 0.000 0.752 211 E HN 0.052 nan 8.360 nan 0.000 0.466 212 L N 0.826 122.063 121.223 0.022 0.000 2.079 212 L HA -0.173 4.169 4.340 0.003 0.000 0.210 212 L C 2.289 179.172 176.870 0.021 0.000 1.081 212 L CA 1.779 56.629 54.840 0.017 0.000 0.752 212 L CB -0.796 41.268 42.059 0.009 0.000 0.896 212 L HN 0.083 nan 8.230 nan 0.000 0.433 213 T N -1.185 113.382 114.554 0.022 0.000 2.788 213 T HA -0.219 4.132 4.350 0.003 0.000 0.268 213 T C 1.987 176.710 174.700 0.039 0.000 1.044 213 T CA 1.605 63.718 62.100 0.023 0.000 1.139 213 T CB 0.032 68.909 68.868 0.016 0.000 0.867 213 T HN 0.283 nan 8.240 nan 0.000 0.454 214 K N 0.355 120.786 120.400 0.051 0.000 2.098 214 K HA 0.156 4.477 4.320 0.003 0.000 0.203 214 K C 2.231 178.919 176.600 0.147 0.000 1.051 214 K CA 0.505 56.840 56.287 0.080 0.000 0.957 214 K CB -0.140 32.402 32.500 0.071 0.000 0.738 214 K HN 0.244 nan 8.250 nan 0.000 0.447 215 L N 1.334 122.613 121.223 0.094 0.000 2.079 215 L HA -0.189 4.153 4.340 0.003 0.000 0.210 215 L C 1.481 178.374 176.870 0.038 0.000 1.081 215 L CA 1.072 55.947 54.840 0.058 0.000 0.752 215 L CB -0.287 41.787 42.059 0.025 0.000 0.896 215 L HN 0.276 nan 8.230 nan 0.000 0.433 216 N N -0.021 118.710 118.700 0.051 0.000 2.322 216 N HA 0.057 4.799 4.740 0.003 0.000 0.194 216 N C 0.797 176.351 175.510 0.074 0.000 1.126 216 N CA 0.299 53.369 53.050 0.033 0.000 0.845 216 N CB 0.377 38.869 38.487 0.008 0.000 0.976 216 N HN 0.221 nan 8.380 nan 0.000 0.475 217 G N 0.532 109.423 108.800 0.151 0.000 2.653 217 G HA2 0.190 4.152 3.960 0.003 0.000 0.265 217 G HA3 0.190 4.152 3.960 0.003 0.000 0.265 217 G C -0.102 174.898 174.900 0.168 0.000 1.237 217 G CA -0.207 44.965 45.100 0.119 0.000 0.946 217 G HN 0.035 nan 8.290 nan 0.000 0.522 218 K N -0.819 119.610 120.400 0.048 0.000 2.259 218 K HA 0.387 4.708 4.320 0.003 0.000 0.252 218 K C -1.181 175.380 176.600 -0.065 0.000 0.936 218 K CA -0.801 55.509 56.287 0.038 0.000 0.810 218 K CB 2.264 34.769 32.500 0.009 0.000 1.143 218 K HN 0.240 nan 8.250 nan 0.000 0.427 219 L N 2.776 123.972 121.223 -0.046 0.000 2.290 219 L HA 0.257 4.598 4.340 0.003 0.000 0.284 219 L C -1.042 175.796 176.870 -0.053 0.000 1.078 219 L CA 0.651 55.436 54.840 -0.091 0.000 0.815 219 L CB 0.415 42.457 42.059 -0.029 0.000 1.162 219 L HN 0.595 nan 8.230 nan 0.000 0.435 220 E N 4.060 124.218 120.200 -0.069 0.000 2.307 220 E HA 0.273 4.624 4.350 0.003 0.000 0.280 220 E C -0.619 175.935 176.600 -0.078 0.000 0.900 220 E CA -0.627 55.740 56.400 -0.056 0.000 0.790 220 E CB 1.096 30.766 29.700 -0.050 0.000 1.261 220 E HN 0.663 nan 8.360 nan 0.000 0.405 221 N N 3.140 121.796 118.700 -0.074 0.000 2.735 221 N HA -0.221 4.521 4.740 0.003 0.000 0.248 221 N C -0.820 174.568 175.510 -0.202 0.000 1.083 221 N CA 0.929 53.909 53.050 -0.116 0.000 0.703 221 N CB -0.957 37.466 38.487 -0.107 0.000 1.005 221 N HN 0.705 nan 8.380 nan 0.000 0.550 222 N N -2.269 116.325 118.700 -0.176 0.000 2.776 222 N HA -0.226 4.516 4.740 0.003 0.000 0.250 222 N C -0.359 175.032 175.510 -0.198 0.000 1.112 222 N CA 1.658 54.551 53.050 -0.262 0.000 0.733 222 N CB -1.356 36.568 38.487 -0.938 0.000 1.097 222 N HN 0.914 nan 8.380 nan 0.000 0.558 223 Q N -1.046 118.669 119.800 -0.141 0.000 2.693 223 Q HA 0.736 5.077 4.340 0.003 0.000 0.306 223 Q C -1.152 174.754 176.000 -0.156 0.000 0.969 223 Q CA -0.964 54.760 55.803 -0.132 0.000 0.757 223 Q CB 1.521 30.182 28.738 -0.129 0.000 1.494 223 Q HN 0.172 nan 8.270 nan 0.000 0.459 224 I N 1.615 122.082 120.570 -0.172 0.000 2.362 224 I HA 0.317 4.489 4.170 0.003 0.000 0.289 224 I C -0.641 175.396 176.117 -0.132 0.000 0.994 224 I CA -1.132 60.032 61.300 -0.227 0.000 1.158 224 I CB 1.541 39.352 38.000 -0.316 0.000 1.315 224 I HN 0.517 nan 8.210 nan 0.000 0.451 225 I N 8.334 128.841 120.570 -0.105 0.000 2.291 225 I HA 0.275 4.447 4.170 0.003 0.000 0.292 225 I C -2.102 173.992 176.117 -0.039 0.000 1.064 225 I CA -2.546 58.718 61.300 -0.060 0.000 1.269 225 I CB 0.092 38.066 38.000 -0.044 0.000 1.418 225 I HN 0.155 nan 8.210 nan 0.000 0.485 226 P HA 0.023 nan 4.420 nan 0.000 0.265 226 P C -0.198 177.103 177.300 0.000 0.000 1.187 226 P CA -0.011 63.084 63.100 -0.008 0.000 0.766 226 P CB 0.651 32.346 31.700 -0.008 0.000 0.820 227 A N 3.006 125.833 122.820 0.012 0.000 2.401 227 A HA 0.112 4.433 4.320 0.003 0.000 0.259 227 A C 0.677 178.263 177.584 0.004 0.000 1.103 227 A CA -0.367 51.676 52.037 0.010 0.000 0.789 227 A CB -0.254 18.755 19.000 0.015 0.000 1.035 227 A HN 0.608 nan 8.150 nan 0.000 0.491 228 N N 3.111 121.812 118.700 0.001 0.000 2.549 228 N HA 0.133 4.875 4.740 0.003 0.000 0.267 228 N C -1.250 174.260 175.510 0.000 0.000 1.182 228 N CA 0.220 53.270 53.050 -0.000 0.000 1.019 228 N CB -0.193 38.293 38.487 -0.002 0.000 1.380 228 N HN 0.569 nan 8.380 nan 0.000 0.505 229 L N 2.693 123.917 121.223 0.001 0.000 2.324 229 L HA 0.203 4.545 4.340 0.003 0.000 0.274 229 L C -0.149 176.722 176.870 0.001 0.000 1.012 229 L CA -0.865 53.975 54.840 0.001 0.000 0.859 229 L CB 1.278 43.338 42.059 0.001 0.000 1.224 229 L HN 0.290 nan 8.230 nan 0.000 0.429 230 D N 2.257 122.657 120.400 0.001 0.000 2.435 230 D HA 0.159 4.800 4.640 0.003 0.000 0.230 230 D C -0.404 175.897 176.300 0.002 0.000 1.215 230 D CA 0.271 54.272 54.000 0.001 0.000 0.947 230 D CB 0.681 41.481 40.800 0.001 0.000 1.048 230 D HN 0.254 nan 8.370 nan 0.000 0.512 231 S N 2.038 117.739 115.700 0.002 0.000 2.549 231 S HA 0.602 5.074 4.470 0.003 0.000 0.297 231 S C -0.298 174.304 174.600 0.003 0.000 1.115 231 S CA -0.777 57.424 58.200 0.002 0.000 1.059 231 S CB 1.906 65.107 63.200 0.002 0.000 1.046 231 S HN 0.364 nan 8.310 nan 0.000 0.506 232 T N 2.027 116.582 114.554 0.002 0.000 3.009 232 T HA 0.386 4.738 4.350 0.003 0.000 0.346 232 T C -0.794 173.908 174.700 0.003 0.000 1.092 232 T CA -0.327 61.775 62.100 0.003 0.000 1.080 232 T CB 0.904 69.773 68.868 0.003 0.000 1.037 232 T HN 0.448 nan 8.240 nan 0.000 0.487 233 V N 3.687 123.603 119.914 0.004 0.000 2.630 233 V HA 0.833 4.955 4.120 0.003 0.000 0.305 233 V C -0.556 175.541 176.094 0.006 0.000 1.046 233 V CA -0.059 62.242 62.300 0.001 0.000 0.934 233 V CB 1.969 33.790 31.823 -0.003 0.000 1.003 233 V HN 0.789 nan 8.190 nan 0.000 0.451 234 T N 4.961 119.516 114.554 0.002 0.000 2.840 234 T HA 0.483 4.834 4.350 0.003 0.000 0.287 234 T C -0.565 174.131 174.700 -0.005 0.000 0.991 234 T CA -0.300 61.805 62.100 0.009 0.000 0.964 234 T CB 1.327 70.201 68.868 0.008 0.000 0.954 234 T HN 0.752 nan 8.240 nan 0.000 0.438 235 S N 3.223 118.919 115.700 -0.006 0.000 2.449 235 S HA 0.653 5.124 4.470 0.003 0.000 0.310 235 S C -0.306 174.272 174.600 -0.036 0.000 1.096 235 S CA -0.680 57.494 58.200 -0.044 0.000 1.095 235 S CB 0.542 63.696 63.200 -0.076 0.000 1.007 235 S HN 0.539 nan 8.310 nan 0.000 0.474 236 I N 2.235 122.773 120.570 -0.053 0.000 2.569 236 I HA 0.508 4.679 4.170 0.003 0.000 0.296 236 I C -0.051 176.026 176.117 -0.067 0.000 1.028 236 I CA -0.916 60.360 61.300 -0.040 0.000 1.082 236 I CB 1.998 39.984 38.000 -0.024 0.000 1.264 236 I HN 0.389 nan 8.210 nan 0.000 0.429 237 R N 4.754 125.222 120.500 -0.053 0.000 2.265 237 R HA 0.650 4.991 4.340 0.003 0.000 0.319 237 R C -1.104 175.170 176.300 -0.043 0.000 1.006 237 R CA -0.431 55.634 56.100 -0.059 0.000 0.880 237 R CB 1.164 31.431 30.300 -0.054 0.000 1.077 237 R HN 0.531 nan 8.270 nan 0.000 0.454 238 V N 1.864 121.756 119.914 -0.037 0.000 2.919 238 V HA 0.709 4.831 4.120 0.003 0.000 0.316 238 V C -2.305 173.771 176.094 -0.030 0.000 1.077 238 V CA -2.330 59.951 62.300 -0.031 0.000 0.977 238 V CB 1.933 33.744 31.823 -0.020 0.000 1.039 238 V HN 0.811 nan 8.190 nan 0.000 0.441 239 P HA 0.202 nan 4.420 nan 0.000 0.220 239 P C -0.018 177.269 177.300 -0.022 0.000 1.806 239 P CA 0.318 63.390 63.100 -0.048 0.000 0.976 239 P CB -0.621 31.032 31.700 -0.079 0.000 1.952 240 T N -2.174 112.376 114.554 -0.006 0.000 2.908 240 T HA 0.462 4.813 4.350 0.003 0.000 0.290 240 T C 1.205 175.910 174.700 0.008 0.000 1.034 240 T CA -0.912 61.192 62.100 0.007 0.000 1.010 240 T CB 2.391 71.271 68.868 0.019 0.000 1.068 240 T HN -0.030 nan 8.240 nan 0.000 0.481 241 R N 0.522 121.026 120.500 0.007 0.000 2.052 241 R HA 0.312 4.654 4.340 0.003 0.000 0.226 241 R C 0.086 176.387 176.300 0.002 0.000 1.145 241 R CA 0.605 56.704 56.100 -0.001 0.000 0.952 241 R CB -0.077 30.223 30.300 0.001 0.000 0.847 241 R HN 0.486 nan 8.270 nan 0.000 0.431 242 V N -0.391 119.523 119.914 0.000 0.000 2.709 242 V HA 0.670 4.791 4.120 0.003 0.000 0.308 242 V C -0.440 175.641 176.094 -0.022 0.000 1.062 242 V CA -0.677 61.610 62.300 -0.022 0.000 0.901 242 V CB 1.702 33.508 31.823 -0.029 0.000 1.003 242 V HN 0.665 nan 8.190 nan 0.000 0.425 243 G N 2.668 111.430 108.800 -0.063 0.000 3.400 243 G HA2 0.081 4.042 3.960 0.003 0.000 0.679 243 G HA3 0.081 4.042 3.960 0.003 0.000 0.679 243 G C -1.241 173.718 174.900 0.098 0.000 1.239 243 G CA -0.978 44.102 45.100 -0.033 0.000 1.049 243 G HN 0.815 nan 8.290 nan 0.000 0.539 244 H N 1.490 120.559 119.070 -0.002 0.000 2.467 244 H HA 0.695 5.253 4.556 0.002 0.000 0.326 244 H C 0.660 175.986 175.328 -0.003 0.000 1.094 244 H CA -0.467 55.578 56.048 -0.005 0.000 1.253 244 H CB 1.658 31.417 29.762 -0.005 0.000 1.439 244 H HN 0.761 nan 8.280 nan 0.000 0.479 245 M N 1.859 121.527 119.600 0.112 0.000 2.537 245 M HA 0.615 5.097 4.480 0.003 0.000 0.324 245 M C -0.283 176.037 176.300 0.033 0.000 1.187 245 M CA -0.492 54.842 55.300 0.057 0.000 0.993 245 M CB 1.671 34.292 32.600 0.035 0.000 1.666 245 M HN 0.722 nan 8.290 nan 0.000 0.461 246 G N 2.018 110.832 108.800 0.024 0.000 2.740 246 G HA2 0.586 4.548 3.960 0.003 0.000 0.296 246 G HA3 0.586 4.548 3.960 0.003 0.000 0.296 246 G C -2.001 172.904 174.900 0.008 0.000 1.439 246 G CA -0.490 44.617 45.100 0.011 0.000 1.066 246 G HN 0.603 nan 8.290 nan 0.000 0.527 247 V N 3.602 123.517 119.914 0.003 0.000 2.311 247 V HA 0.376 4.497 4.120 0.003 0.000 0.275 247 V C 0.050 176.146 176.094 0.002 0.000 1.022 247 V CA -0.453 61.849 62.300 0.003 0.000 0.830 247 V CB 0.758 32.581 31.823 0.001 0.000 1.012 247 V HN 0.594 nan 8.190 nan 0.000 0.452 248 I N 4.982 125.554 120.570 0.004 0.000 2.321 248 I HA 0.400 4.572 4.170 0.003 0.000 0.291 248 I C -0.303 175.818 176.117 0.006 0.000 0.998 248 I CA -0.265 61.037 61.300 0.002 0.000 1.227 248 I CB 1.279 39.278 38.000 -0.001 0.000 1.368 248 I HN 0.568 nan 8.210 nan 0.000 0.466 249 N N 7.405 126.109 118.700 0.007 0.000 2.446 249 N HA 0.497 5.238 4.740 0.003 0.000 0.265 249 N C -0.844 174.674 175.510 0.013 0.000 0.975 249 N CA -0.396 52.661 53.050 0.012 0.000 0.928 249 N CB 1.751 40.244 38.487 0.009 0.000 1.160 249 N HN 0.448 nan 8.380 nan 0.000 0.495 250 I N 2.405 122.988 120.570 0.022 0.000 2.310 250 I HA 0.213 4.385 4.170 0.003 0.000 0.287 250 I C -0.426 175.712 176.117 0.034 0.000 1.073 250 I CA -0.905 60.408 61.300 0.022 0.000 1.216 250 I CB 0.753 38.763 38.000 0.018 0.000 1.415 250 I HN 0.162 nan 8.210 nan 0.000 0.480 251 V N 5.326 125.255 119.914 0.025 0.000 2.387 251 V HA 0.278 4.400 4.120 0.003 0.000 0.260 251 V C 0.379 176.490 176.094 0.029 0.000 1.054 251 V CA 0.204 62.520 62.300 0.026 0.000 0.967 251 V CB 0.513 32.344 31.823 0.014 0.000 1.036 251 V HN 0.791 nan 8.190 nan 0.000 0.481 252 T N 3.097 117.679 114.554 0.047 0.000 2.889 252 T HA 0.330 4.682 4.350 0.003 0.000 0.315 252 T C 0.375 175.113 174.700 0.063 0.000 1.291 252 T CA -0.567 61.559 62.100 0.044 0.000 1.028 252 T CB 1.514 70.404 68.868 0.036 0.000 1.235 252 T HN 0.607 nan 8.240 nan 0.000 0.491 253 N N 1.175 119.902 118.700 0.045 0.000 2.280 253 N HA 0.105 4.847 4.740 0.003 0.000 0.192 253 N C -0.139 175.401 175.510 0.050 0.000 1.109 253 N CA -0.283 52.797 53.050 0.049 0.000 0.855 253 N CB 0.380 38.884 38.487 0.029 0.000 0.974 253 N HN 0.491 nan 8.380 nan 0.000 0.482 254 E N 1.475 121.699 120.200 0.039 0.000 2.418 254 E HA 0.021 4.373 4.350 0.003 0.000 0.261 254 E C 0.174 176.785 176.600 0.018 0.000 1.070 254 E CA 0.284 56.696 56.400 0.019 0.000 0.931 254 E CB 0.735 30.436 29.700 0.003 0.000 0.954 254 E HN 0.226 nan 8.360 nan 0.000 0.439 255 R N 1.692 122.193 120.500 0.002 0.000 2.491 255 R HA 0.371 4.713 4.340 0.003 0.000 0.283 255 R C 0.124 176.377 176.300 -0.078 0.000 1.072 255 R CA 0.131 56.225 56.100 -0.009 0.000 1.048 255 R CB 0.328 30.627 30.300 -0.003 0.000 0.983 255 R HN 0.385 nan 8.270 nan 0.000 0.450 256 I N 1.953 122.426 120.570 -0.163 0.000 2.569 256 I HA 0.132 4.304 4.170 0.003 0.000 0.290 256 I C -0.563 175.421 176.117 -0.221 0.000 1.088 256 I CA -0.822 60.309 61.300 -0.281 0.000 1.047 256 I CB 2.185 39.818 38.000 -0.612 0.000 1.237 256 I HN 0.533 nan 8.210 nan 0.000 0.421 257 N N 5.984 124.607 118.700 -0.129 0.000 2.462 257 N HA 0.152 4.894 4.740 0.003 0.000 0.242 257 N C 0.652 176.121 175.510 -0.069 0.000 1.010 257 N CA -0.196 52.813 53.050 -0.068 0.000 0.939 257 N CB 1.299 39.764 38.487 -0.036 0.000 1.127 257 N HN 0.648 nan 8.380 nan 0.000 0.509 258 I N 3.377 123.919 120.570 -0.048 0.000 2.264 258 I HA -0.192 3.979 4.170 0.003 0.000 0.248 258 I C 1.777 177.891 176.117 -0.006 0.000 1.111 258 I CA 1.533 62.821 61.300 -0.019 0.000 1.382 258 I CB 0.177 38.197 38.000 0.033 0.000 1.060 258 I HN 0.530 nan 8.210 nan 0.000 0.418 259 E N -0.199 120.001 120.200 -0.001 0.000 2.285 259 E HA -0.192 4.160 4.350 0.003 0.000 0.194 259 E C 1.999 178.600 176.600 0.002 0.000 0.997 259 E CA 0.586 56.989 56.400 0.005 0.000 0.845 259 E CB -0.097 29.608 29.700 0.008 0.000 0.782 259 E HN 0.504 nan 8.360 nan 0.000 0.491 260 E N 0.833 121.029 120.200 -0.007 0.000 2.107 260 E HA -0.093 4.259 4.350 0.003 0.000 0.191 260 E C 1.893 178.490 176.600 -0.005 0.000 0.982 260 E CA 0.514 56.911 56.400 -0.005 0.000 0.809 260 E CB -0.071 29.621 29.700 -0.013 0.000 0.756 260 E HN 0.077 nan 8.360 nan 0.000 0.459 261 I N 0.941 121.501 120.570 -0.017 0.000 2.142 261 I HA -0.254 3.917 4.170 0.003 0.000 0.240 261 I C 2.136 178.253 176.117 -0.000 0.000 1.078 261 I CA 1.446 62.736 61.300 -0.017 0.000 1.343 261 I CB -1.075 36.907 38.000 -0.030 0.000 1.046 261 I HN 0.166 nan 8.210 nan 0.000 0.405 262 K N 0.682 121.084 120.400 0.005 0.000 2.074 262 K HA -0.234 4.087 4.320 0.003 0.000 0.209 262 K C 2.187 178.801 176.600 0.022 0.000 1.048 262 K CA 1.539 57.834 56.287 0.014 0.000 0.926 262 K CB -0.169 32.340 32.500 0.015 0.000 0.713 262 K HN 0.225 nan 8.250 nan 0.000 0.444 263 K N 0.382 120.794 120.400 0.021 0.000 2.057 263 K HA -0.112 4.210 4.320 0.003 0.000 0.206 263 K C 1.985 178.611 176.600 0.043 0.000 1.050 263 K CA 1.648 57.953 56.287 0.029 0.000 0.935 263 K CB 0.026 32.540 32.500 0.022 0.000 0.715 263 K HN 0.052 nan 8.250 nan 0.000 0.439 264 T N 1.828 116.405 114.554 0.039 0.000 2.746 264 T HA -0.107 4.244 4.350 0.003 0.000 0.267 264 T C 1.779 176.529 174.700 0.084 0.000 1.039 264 T CA 1.149 63.284 62.100 0.058 0.000 1.142 264 T CB -0.078 68.809 68.868 0.033 0.000 0.866 264 T HN 0.131 nan 8.240 nan 0.000 0.444 265 L N 1.095 122.349 121.223 0.052 0.000 1.988 265 L HA -0.090 4.251 4.340 0.003 0.000 0.207 265 L C 2.726 179.660 176.870 0.107 0.000 1.071 265 L CA 1.528 56.402 54.840 0.055 0.000 0.744 265 L CB -0.560 41.510 42.059 0.018 0.000 0.893 265 L HN 0.338 nan 8.230 nan 0.000 0.433 266 K N -0.101 120.346 120.400 0.077 0.000 2.360 266 K HA -0.169 4.153 4.320 0.003 0.000 0.201 266 K C 1.129 177.782 176.600 0.088 0.000 1.046 266 K CA 1.926 58.258 56.287 0.076 0.000 0.945 266 K CB -0.474 32.055 32.500 0.049 0.000 0.750 266 K HN 0.422 nan 8.250 nan 0.000 0.464 267 N N -0.230 118.531 118.700 0.101 0.000 2.280 267 N HA 0.062 4.804 4.740 0.003 0.000 0.192 267 N C -0.742 174.841 175.510 0.121 0.000 1.109 267 N CA -0.553 52.550 53.050 0.087 0.000 0.855 267 N CB 0.152 38.679 38.487 0.067 0.000 0.974 267 N HN 0.060 nan 8.380 nan 0.000 0.482 268 F N 2.760 122.722 119.950 0.020 0.000 2.578 268 F HA 0.131 4.660 4.527 0.003 0.000 0.381 268 F C 0.007 175.824 175.800 0.029 0.000 1.069 268 F CA 0.237 58.253 58.000 0.027 0.000 1.231 268 F CB 0.262 39.278 39.000 0.028 0.000 1.086 268 F HN -0.231 nan 8.300 nan 0.000 0.564 269 K N 3.955 123.906 120.400 -0.748 0.000 2.527 269 K HA 0.527 4.849 4.320 0.003 0.000 0.260 269 K C -1.143 175.035 176.600 -0.703 0.000 0.937 269 K CA -0.942 54.989 56.287 -0.594 0.000 0.826 269 K CB 2.257 34.607 32.500 -0.251 0.000 1.359 269 K HN 0.602 nan 8.250 nan 0.000 0.434 270 S N 0.592 116.013 115.700 -0.465 0.000 2.851 270 S HA 0.360 4.832 4.470 0.003 0.000 0.313 270 S C 0.559 175.036 174.600 -0.205 0.000 1.163 270 S CA -0.772 57.276 58.200 -0.252 0.000 0.850 270 S CB 0.925 64.057 63.200 -0.113 0.000 1.245 270 S HN 0.693 nan 8.310 nan 0.000 0.558 271 L N 2.177 123.229 121.223 -0.285 0.000 2.021 271 L HA -0.009 4.333 4.340 0.003 0.000 0.215 271 L C -1.186 175.480 176.870 -0.340 0.000 1.074 271 L CA 2.065 56.588 54.840 -0.528 0.000 0.760 271 L CB -1.091 40.153 42.059 -1.359 0.000 0.889 271 L HN 0.505 nan 8.230 nan 0.000 0.433 272 P HA -0.204 nan 4.420 nan 0.000 0.216 272 P C 1.246 178.483 177.300 -0.105 0.000 1.153 272 P CA 1.471 64.495 63.100 -0.126 0.000 0.858 272 P CB 0.055 31.725 31.700 -0.049 0.000 0.789 273 Q N -0.638 119.092 119.800 -0.117 0.000 2.016 273 Q HA -0.150 4.192 4.340 0.003 0.000 0.200 273 Q C 2.336 178.274 176.000 -0.102 0.000 0.978 273 Q CA 1.571 57.315 55.803 -0.098 0.000 0.833 273 Q CB -1.066 27.602 28.738 -0.117 0.000 0.895 273 Q HN 0.321 nan 8.270 nan 0.000 0.427 274 Q N 0.038 119.759 119.800 -0.132 0.000 2.112 274 Q HA -0.161 4.180 4.340 0.003 0.000 0.206 274 Q C 1.255 177.190 176.000 -0.109 0.000 0.987 274 Q CA 1.224 56.955 55.803 -0.121 0.000 0.858 274 Q CB 0.045 28.695 28.738 -0.147 0.000 0.905 274 Q HN 0.081 nan 8.270 nan 0.000 0.420 275 K N 0.347 120.671 120.400 -0.125 0.000 2.444 275 K HA 0.022 4.343 4.320 0.003 0.000 0.193 275 K C 0.102 176.665 176.600 -0.063 0.000 1.024 275 K CA 0.100 56.327 56.287 -0.100 0.000 1.077 275 K CB -0.024 32.403 32.500 -0.122 0.000 0.833 275 K HN 0.186 nan 8.250 nan 0.000 0.517 276 N N 1.263 119.929 118.700 -0.056 0.000 2.714 276 N HA -0.188 4.554 4.740 0.003 0.000 0.253 276 N C -1.000 174.505 175.510 -0.008 0.000 1.024 276 N CA 0.223 53.253 53.050 -0.033 0.000 0.726 276 N CB -1.539 36.930 38.487 -0.031 0.000 0.908 276 N HN 0.195 nan 8.380 nan 0.000 0.542 277 L N 0.212 121.436 121.223 0.001 0.000 2.426 277 L HA 0.202 4.543 4.340 0.003 0.000 0.271 277 L C -0.401 176.498 176.870 0.048 0.000 1.169 277 L CA -1.499 53.372 54.840 0.052 0.000 0.836 277 L CB 0.252 42.344 42.059 0.056 0.000 1.112 277 L HN 0.162 nan 8.230 nan 0.000 0.465 278 P HA -0.187 nan 4.420 nan 0.000 0.216 278 P C 0.990 178.286 177.300 -0.006 0.000 1.157 278 P CA 1.619 64.712 63.100 -0.011 0.000 0.880 278 P CB 0.061 31.675 31.700 -0.143 0.000 0.791 279 T N -1.125 113.454 114.554 0.041 0.000 3.144 279 T HA 0.367 4.718 4.350 0.003 0.000 0.249 279 T C 0.907 175.626 174.700 0.032 0.000 1.089 279 T CA -0.026 62.099 62.100 0.041 0.000 0.989 279 T CB -0.170 68.739 68.868 0.069 0.000 0.992 279 T HN 0.149 nan 8.240 nan 0.000 0.540 280 A N 3.667 126.502 122.820 0.026 0.000 2.328 280 A HA 0.595 4.917 4.320 0.003 0.000 0.284 280 A C -2.323 175.266 177.584 0.009 0.000 1.160 280 A CA -1.699 50.348 52.037 0.017 0.000 0.818 280 A CB 0.406 19.408 19.000 0.003 0.000 1.087 280 A HN 0.097 nan 8.150 nan 0.000 0.504 281 P HA 0.244 nan 4.420 nan 0.000 0.278 281 P C -0.007 177.295 177.300 0.003 0.000 1.238 281 P CA -0.323 62.785 63.100 0.012 0.000 0.794 281 P CB 1.265 32.980 31.700 0.024 0.000 0.955 282 K N 0.700 121.100 120.400 -0.001 0.000 2.097 282 K HA -0.102 4.220 4.320 0.003 0.000 0.206 282 K C 1.195 177.792 176.600 -0.006 0.000 1.049 282 K CA 1.527 57.809 56.287 -0.009 0.000 0.933 282 K CB -0.050 32.446 32.500 -0.007 0.000 0.717 282 K HN 0.495 nan 8.250 nan 0.000 0.442 283 Q N -0.062 119.745 119.800 0.012 0.000 2.558 283 Q HA 0.152 4.494 4.340 0.003 0.000 0.252 283 Q C -2.089 173.943 176.000 0.053 0.000 1.015 283 Q CA -1.904 53.916 55.803 0.028 0.000 0.720 283 Q CB 1.320 30.076 28.738 0.030 0.000 1.215 283 Q HN -0.014 nan 8.270 nan 0.000 0.500 284 P HA -0.141 nan 4.420 nan 0.000 0.217 284 P C 0.086 177.466 177.300 0.134 0.000 1.148 284 P CA 1.249 64.423 63.100 0.122 0.000 0.828 284 P CB 0.543 32.358 31.700 0.193 0.000 0.783 285 I N -0.113 120.543 120.570 0.144 0.000 2.447 285 I HA 0.342 4.514 4.170 0.003 0.000 0.287 285 I C 0.054 176.216 176.117 0.076 0.000 1.023 285 I CA -1.026 60.338 61.300 0.106 0.000 1.083 285 I CB 2.398 40.468 38.000 0.117 0.000 1.245 285 I HN -0.283 nan 8.210 nan 0.000 0.434 286 I N 6.470 127.071 120.570 0.053 0.000 2.354 286 I HA 0.393 4.565 4.170 0.003 0.000 0.292 286 I C -0.400 175.737 176.117 0.033 0.000 0.989 286 I CA -0.872 60.452 61.300 0.040 0.000 1.188 286 I CB 2.061 40.081 38.000 0.032 0.000 1.342 286 I HN 0.184 nan 8.210 nan 0.000 0.457 287 V N 6.762 126.695 119.914 0.031 0.000 2.427 287 V HA 0.494 4.616 4.120 0.003 0.000 0.286 287 V C 0.099 176.206 176.094 0.021 0.000 1.034 287 V CA -0.751 61.564 62.300 0.025 0.000 0.893 287 V CB 1.632 33.470 31.823 0.026 0.000 0.982 287 V HN 0.579 nan 8.190 nan 0.000 0.452 288 R N 2.404 122.916 120.500 0.019 0.000 2.514 288 R HA 0.415 4.757 4.340 0.003 0.000 0.301 288 R C -0.075 176.234 176.300 0.015 0.000 0.962 288 R CA -0.568 55.541 56.100 0.017 0.000 0.882 288 R CB 1.767 32.077 30.300 0.016 0.000 1.143 288 R HN 0.670 nan 8.270 nan 0.000 0.452 289 D N 0.895 121.304 120.400 0.014 0.000 2.301 289 D HA -0.057 4.584 4.640 0.003 0.000 0.206 289 D C 0.044 176.352 176.300 0.012 0.000 0.979 289 D CA 0.681 54.689 54.000 0.014 0.000 0.874 289 D CB 0.545 41.353 40.800 0.013 0.000 0.968 289 D HN 0.475 nan 8.370 nan 0.000 0.510 290 E N 1.651 121.858 120.200 0.012 0.000 2.384 290 E HA -0.034 4.317 4.350 0.003 0.000 0.266 290 E C 0.659 177.266 176.600 0.011 0.000 1.012 290 E CA 0.021 56.427 56.400 0.010 0.000 0.901 290 E CB 1.459 31.165 29.700 0.010 0.000 0.967 290 E HN -0.080 nan 8.360 nan 0.000 0.435 291 E N 1.561 121.767 120.200 0.010 0.000 2.204 291 E HA -0.174 4.178 4.350 0.003 0.000 0.195 291 E C 0.460 177.065 176.600 0.009 0.000 0.990 291 E CA 1.432 57.837 56.400 0.009 0.000 0.821 291 E CB -0.012 29.693 29.700 0.008 0.000 0.750 291 E HN 0.588 nan 8.360 nan 0.000 0.477 292 D N -0.461 119.944 120.400 0.008 0.000 2.460 292 D HA 0.050 4.692 4.640 0.003 0.000 0.229 292 D C -0.092 176.214 176.300 0.009 0.000 1.170 292 D CA -0.168 53.837 54.000 0.008 0.000 0.827 292 D CB 0.076 40.880 40.800 0.007 0.000 0.973 292 D HN -0.132 nan 8.370 nan 0.000 0.496 293 R N 0.854 121.360 120.500 0.010 0.000 2.807 293 R HA 0.517 4.858 4.340 0.003 0.000 0.276 293 R C -2.736 173.572 176.300 0.013 0.000 0.979 293 R CA -1.869 54.237 56.100 0.012 0.000 0.928 293 R CB 1.537 31.845 30.300 0.012 0.000 1.191 293 R HN 0.083 nan 8.270 nan 0.000 0.471 294 P HA 0.210 nan 4.420 nan 0.000 0.276 294 P C -1.092 176.216 177.300 0.014 0.000 1.252 294 P CA -0.429 62.680 63.100 0.015 0.000 0.802 294 P CB 1.149 32.859 31.700 0.017 0.000 1.035 295 Q N 1.151 120.960 119.800 0.014 0.000 2.323 295 Q HA 0.257 4.598 4.340 0.003 0.000 0.271 295 Q C -1.995 174.013 176.000 0.014 0.000 1.048 295 Q CA -1.871 53.940 55.803 0.013 0.000 0.792 295 Q CB 2.286 31.031 28.738 0.011 0.000 1.280 295 Q HN 0.235 nan 8.270 nan 0.000 0.441 296 P HA -0.250 nan 4.420 nan 0.000 0.216 296 P C 1.169 178.475 177.300 0.011 0.000 1.167 296 P CA 1.654 64.763 63.100 0.015 0.000 0.914 296 P CB -0.053 31.657 31.700 0.018 0.000 0.793 297 I N -4.631 115.946 120.570 0.011 0.000 2.756 297 I HA -0.099 4.072 4.170 0.003 0.000 0.262 297 I C 1.802 177.925 176.117 0.009 0.000 1.225 297 I CA 1.592 62.898 61.300 0.010 0.000 1.472 297 I CB -0.597 37.410 38.000 0.011 0.000 1.094 297 I HN -0.077 nan 8.210 nan 0.000 0.454 298 I N 0.871 121.447 120.570 0.010 0.000 3.039 298 I HA 0.011 4.183 4.170 0.003 0.000 0.270 298 I C 1.488 177.611 176.117 0.010 0.000 1.150 298 I CA 0.583 61.889 61.300 0.010 0.000 1.448 298 I CB -0.065 37.941 38.000 0.010 0.000 1.197 298 I HN 0.137 nan 8.210 nan 0.000 0.450 299 D N 0.001 120.407 120.400 0.010 0.000 2.423 299 D HA 0.022 4.664 4.640 0.003 0.000 0.208 299 D C 2.054 178.359 176.300 0.009 0.000 1.068 299 D CA 0.524 54.531 54.000 0.011 0.000 0.860 299 D CB 0.737 41.544 40.800 0.013 0.000 0.992 299 D HN 0.055 nan 8.370 nan 0.000 0.504 300 V N 2.070 121.988 119.914 0.006 0.000 2.546 300 V HA -0.224 3.898 4.120 0.003 0.000 0.254 300 V C 1.444 177.537 176.094 -0.002 0.000 1.076 300 V CA 1.678 63.977 62.300 -0.001 0.000 1.087 300 V CB -0.335 31.484 31.823 -0.006 0.000 0.674 300 V HN 0.148 nan 8.190 nan 0.000 0.470 301 N N 0.564 119.265 118.700 0.001 0.000 2.412 301 N HA 0.144 4.885 4.740 0.003 0.000 0.184 301 N C 0.810 176.323 175.510 0.006 0.000 1.101 301 N CA 0.731 53.782 53.050 0.002 0.000 0.881 301 N CB -0.196 38.293 38.487 0.004 0.000 0.969 301 N HN 0.531 nan 8.380 nan 0.000 0.459 302 A N 1.706 124.531 122.820 0.008 0.000 2.600 302 A HA -0.136 4.185 4.320 0.003 0.000 0.253 302 A C 0.445 178.037 177.584 0.012 0.000 0.997 302 A CA 0.357 52.401 52.037 0.012 0.000 0.820 302 A CB -0.664 18.345 19.000 0.015 0.000 0.888 302 A HN 0.454 nan 8.150 nan 0.000 0.508 303 E N 1.726 121.933 120.200 0.012 0.000 2.210 303 E HA -0.201 4.150 4.350 0.003 0.000 0.201 303 E C 0.445 177.051 176.600 0.010 0.000 1.339 303 E CA 0.635 57.042 56.400 0.011 0.000 0.699 303 E CB -1.684 28.025 29.700 0.015 0.000 1.126 303 E HN 1.175 nan 8.360 nan 0.000 0.355 304 S N -1.556 114.149 115.700 0.008 0.000 3.641 304 S HA -0.239 4.233 4.470 0.003 0.000 0.346 304 S C 1.200 175.803 174.600 0.006 0.000 1.074 304 S CA 1.361 59.565 58.200 0.007 0.000 1.026 304 S CB -1.629 61.576 63.200 0.008 0.000 0.908 304 S HN 1.398 nan 8.310 nan 0.000 0.479 305 G N -0.188 108.614 108.800 0.004 0.000 2.175 305 G HA2 -0.381 3.581 3.960 0.003 0.000 0.265 305 G HA3 -0.381 3.581 3.960 0.003 0.000 0.265 305 G C 0.557 175.461 174.900 0.005 0.000 0.979 305 G CA 0.800 45.900 45.100 -0.000 0.000 0.663 305 G HN 0.528 nan 8.290 nan 0.000 0.533 306 M N 0.121 119.729 119.600 0.013 0.000 2.509 306 M HA 0.457 4.938 4.480 0.003 0.000 0.250 306 M C 1.396 177.715 176.300 0.032 0.000 1.132 306 M CA 0.755 56.068 55.300 0.022 0.000 1.080 306 M CB -0.188 32.427 32.600 0.025 0.000 1.408 306 M HN 0.642 nan 8.290 nan 0.000 0.484 307 A N 1.097 123.935 122.820 0.029 0.000 2.317 307 A HA 0.622 4.944 4.320 0.003 0.000 0.327 307 A C -0.034 177.571 177.584 0.034 0.000 1.178 307 A CA -0.698 51.363 52.037 0.039 0.000 0.817 307 A CB 0.892 19.914 19.000 0.037 0.000 1.189 307 A HN 0.155 nan 8.150 nan 0.000 0.489 308 V N 0.250 120.189 119.914 0.042 0.000 2.644 308 V HA 0.801 4.922 4.120 0.003 0.000 0.295 308 V C 0.003 176.116 176.094 0.032 0.000 1.053 308 V CA -0.252 62.067 62.300 0.033 0.000 0.987 308 V CB 1.281 33.124 31.823 0.032 0.000 1.006 308 V HN 0.740 nan 8.190 nan 0.000 0.472 309 T N 3.787 118.357 114.554 0.025 0.000 2.779 309 T HA 0.640 4.992 4.350 0.003 0.000 0.280 309 T C -0.338 174.374 174.700 0.021 0.000 0.987 309 T CA -0.295 61.819 62.100 0.024 0.000 0.966 309 T CB 1.358 70.238 68.868 0.021 0.000 0.933 309 T HN 0.719 nan 8.240 nan 0.000 0.442 310 V N 2.440 122.367 119.914 0.020 0.000 2.547 310 V HA 0.954 5.075 4.120 0.003 0.000 0.299 310 V C 0.615 176.719 176.094 0.016 0.000 1.040 310 V CA -0.447 61.863 62.300 0.016 0.000 0.913 310 V CB 1.814 33.645 31.823 0.013 0.000 0.992 310 V HN 1.068 nan 8.190 nan 0.000 0.449 311 G N 1.843 110.652 108.800 0.015 0.000 2.687 311 G HA2 0.570 4.531 3.960 0.003 0.000 0.291 311 G HA3 0.570 4.531 3.960 0.003 0.000 0.291 311 G C -0.460 174.449 174.900 0.014 0.000 1.420 311 G CA -0.882 44.227 45.100 0.015 0.000 0.796 311 G HN 0.471 nan 8.290 nan 0.000 0.485 312 R N -1.108 119.401 120.500 0.014 0.000 3.516 312 R HA -0.162 4.179 4.340 0.003 0.000 0.271 312 R C 0.180 176.491 176.300 0.018 0.000 1.098 312 R CA 0.565 56.674 56.100 0.015 0.000 0.732 312 R CB -1.967 28.340 30.300 0.012 0.000 1.152 312 R HN 0.552 nan 8.270 nan 0.000 0.455 313 I N 1.350 121.931 120.570 0.020 0.000 2.581 313 I HA 0.033 4.205 4.170 0.003 0.000 0.285 313 I C 1.105 177.243 176.117 0.034 0.000 1.129 313 I CA 0.756 62.070 61.300 0.024 0.000 1.397 313 I CB 0.229 38.241 38.000 0.020 0.000 1.399 313 I HN 0.097 nan 8.210 nan 0.000 0.537 314 R N 4.927 125.455 120.500 0.046 0.000 2.698 314 R HA 0.421 4.762 4.340 0.003 0.000 0.275 314 R C -1.459 174.909 176.300 0.112 0.000 1.001 314 R CA -0.904 55.233 56.100 0.062 0.000 0.896 314 R CB 1.718 32.038 30.300 0.034 0.000 1.218 314 R HN 0.579 nan 8.270 nan 0.000 0.462 315 H N 1.920 120.991 119.070 0.001 0.000 2.866 315 H HA 0.210 4.767 4.556 0.003 0.000 0.287 315 H C -0.126 175.202 175.328 0.000 0.000 1.106 315 H CA -0.313 55.735 56.048 0.000 0.000 1.396 315 H CB 1.434 31.196 29.762 0.001 0.000 1.469 315 H HN 0.801 nan 8.280 nan 0.000 0.500 316 E N 3.008 123.066 120.200 -0.237 0.000 2.086 316 E HA -0.070 4.281 4.350 0.003 0.000 0.190 316 E C 0.238 176.656 176.600 -0.303 0.000 0.975 316 E CA 1.627 57.904 56.400 -0.206 0.000 0.813 316 E CB 0.488 30.124 29.700 -0.108 0.000 0.768 316 E HN 0.878 nan 8.360 nan 0.000 0.457 317 N N -2.263 116.185 118.700 -0.420 0.000 2.572 317 N HA -0.103 4.639 4.740 0.003 0.000 0.336 317 N C 0.382 175.751 175.510 -0.235 0.000 0.585 317 N CA 0.084 52.947 53.050 -0.313 0.000 1.330 317 N CB -0.333 38.067 38.487 -0.144 0.000 1.836 317 N HN -0.030 nan 8.380 nan 0.000 1.694 318 N N 0.019 118.648 118.700 -0.117 0.000 2.234 318 N HA 0.374 5.115 4.740 0.003 0.000 0.227 318 N C -1.364 174.152 175.510 0.010 0.000 1.151 318 N CA -0.115 52.923 53.050 -0.020 0.000 0.865 318 N CB 1.012 39.491 38.487 -0.013 0.000 1.066 318 N HN 0.060 nan 8.380 nan 0.000 0.515 319 V N 1.743 121.646 119.914 -0.019 0.000 2.668 319 V HA 0.327 4.449 4.120 0.003 0.000 0.304 319 V C -0.601 175.564 176.094 0.119 0.000 1.071 319 V CA -0.789 61.533 62.300 0.037 0.000 0.894 319 V CB 2.268 34.092 31.823 0.001 0.000 1.008 319 V HN 0.113 nan 8.190 nan 0.000 0.425 320 L N 5.478 126.792 121.223 0.152 0.000 2.265 320 L HA 0.620 4.961 4.340 0.003 0.000 0.289 320 L C -0.172 176.741 176.870 0.073 0.000 1.033 320 L CA -0.333 54.603 54.840 0.159 0.000 0.814 320 L CB 0.897 43.013 42.059 0.094 0.000 1.203 320 L HN 0.656 nan 8.230 nan 0.000 0.423 321 R N 6.895 127.432 120.500 0.061 0.000 2.514 321 R HA 0.730 5.072 4.340 0.003 0.000 0.301 321 R C -1.575 174.741 176.300 0.027 0.000 0.962 321 R CA -0.535 55.584 56.100 0.033 0.000 0.882 321 R CB 1.564 31.878 30.300 0.023 0.000 1.143 321 R HN 0.762 nan 8.270 nan 0.000 0.452 322 L N 0.291 121.524 121.223 0.017 0.000 2.506 322 L HA 0.627 4.968 4.340 0.003 0.000 0.257 322 L C -1.437 175.439 176.870 0.010 0.000 0.964 322 L CA -1.167 53.681 54.840 0.013 0.000 0.836 322 L CB 2.214 44.278 42.059 0.008 0.000 1.384 322 L HN 0.141 nan 8.230 nan 0.000 0.410 323 V N 2.642 122.562 119.914 0.010 0.000 2.459 323 V HA 0.672 4.794 4.120 0.003 0.000 0.295 323 V C -0.199 175.903 176.094 0.012 0.000 1.029 323 V CA -0.527 61.780 62.300 0.011 0.000 0.874 323 V CB 1.958 33.788 31.823 0.011 0.000 0.985 323 V HN 0.614 nan 8.190 nan 0.000 0.438 324 V N 6.418 126.341 119.914 0.014 0.000 2.914 324 V HA 0.737 4.859 4.120 0.003 0.000 0.314 324 V C -1.460 174.649 176.094 0.026 0.000 1.084 324 V CA -0.586 61.724 62.300 0.017 0.000 0.963 324 V CB 2.024 33.854 31.823 0.013 0.000 1.025 324 V HN 0.727 nan 8.190 nan 0.000 0.432 325 L N 5.143 126.382 121.223 0.027 0.000 2.455 325 L HA 0.975 5.317 4.340 0.003 0.000 0.264 325 L C -0.444 176.442 176.870 0.028 0.000 0.968 325 L CA 0.326 55.186 54.840 0.033 0.000 0.827 325 L CB 1.479 43.554 42.059 0.027 0.000 1.317 325 L HN 0.912 nan 8.230 nan 0.000 0.407 326 G N 2.177 110.993 108.800 0.027 0.000 2.695 326 G HA2 0.307 4.269 3.960 0.003 0.000 0.290 326 G HA3 0.307 4.269 3.960 0.003 0.000 0.290 326 G C -1.762 173.117 174.900 -0.033 0.000 1.410 326 G CA -0.442 44.662 45.100 0.006 0.000 0.844 326 G HN 0.553 nan 8.290 nan 0.000 0.478 327 D N 0.623 120.996 120.400 -0.045 0.000 2.339 327 D HA 0.042 4.684 4.640 0.003 0.000 0.241 327 D C 1.258 177.479 176.300 -0.132 0.000 1.183 327 D CA -0.503 53.449 54.000 -0.080 0.000 0.859 327 D CB 0.824 41.597 40.800 -0.046 0.000 1.067 327 D HN 0.411 nan 8.370 nan 0.000 0.484 328 N N 4.393 122.929 118.700 -0.273 0.000 2.381 328 N HA -0.155 4.587 4.740 0.003 0.000 0.182 328 N C 1.647 177.054 175.510 -0.172 0.000 1.025 328 N CA 0.596 53.431 53.050 -0.358 0.000 0.888 328 N CB -0.041 37.894 38.487 -0.921 0.000 0.965 328 N HN 0.483 nan 8.380 nan 0.000 0.438 329 L N -0.068 121.081 121.223 -0.124 0.000 2.307 329 L HA 0.083 4.424 4.340 0.003 0.000 0.211 329 L C 1.994 178.841 176.870 -0.040 0.000 1.099 329 L CA 0.249 55.050 54.840 -0.066 0.000 0.816 329 L CB 0.082 42.108 42.059 -0.055 0.000 0.952 329 L HN -0.030 nan 8.230 nan 0.000 0.455 330 V N -0.767 119.124 119.914 -0.038 0.000 2.635 330 V HA -0.003 4.118 4.120 0.003 0.000 0.233 330 V C 2.332 178.422 176.094 -0.007 0.000 1.097 330 V CA 0.693 62.983 62.300 -0.016 0.000 1.134 330 V CB -0.329 31.487 31.823 -0.011 0.000 0.841 330 V HN 0.220 nan 8.190 nan 0.000 0.496 331 R N 1.594 122.088 120.500 -0.009 0.000 2.096 331 R HA -0.083 4.258 4.340 0.003 0.000 0.235 331 R C 1.987 178.290 176.300 0.005 0.000 1.127 331 R CA 1.934 58.038 56.100 0.006 0.000 0.968 331 R CB -1.054 29.251 30.300 0.009 0.000 0.861 331 R HN 0.506 nan 8.270 nan 0.000 0.440 332 G N -2.209 106.581 108.800 -0.016 0.000 2.744 332 G HA2 0.230 4.192 3.960 0.003 0.000 0.211 332 G HA3 0.230 4.192 3.960 0.003 0.000 0.211 332 G C 0.666 175.567 174.900 0.002 0.000 1.143 332 G CA 0.582 45.676 45.100 -0.009 0.000 0.788 332 G HN 0.522 nan 8.290 nan 0.000 0.534 333 A N -0.569 122.251 122.820 -0.001 0.000 1.691 333 A HA 0.668 4.990 4.320 0.003 0.000 0.137 333 A C 2.160 179.750 177.584 0.009 0.000 1.444 333 A CA 1.198 53.240 52.037 0.008 0.000 1.955 333 A CB -1.071 17.932 19.000 0.004 0.000 1.909 333 A HN 0.720 nan 8.150 nan 0.000 1.201 334 A N 0.118 122.940 122.820 0.003 0.000 1.873 334 A HA 0.127 4.449 4.320 0.003 0.000 0.218 334 A C 2.349 179.938 177.584 0.008 0.000 1.193 334 A CA 2.746 54.786 52.037 0.006 0.000 0.629 334 A CB -1.542 17.460 19.000 0.003 0.000 0.826 334 A HN 1.415 nan 8.150 nan 0.000 0.447 335 G N 0.447 109.253 108.800 0.010 0.000 2.422 335 G HA2 -0.183 3.779 3.960 0.003 0.000 0.218 335 G HA3 -0.183 3.779 3.960 0.003 0.000 0.218 335 G C 1.517 176.431 174.900 0.023 0.000 1.146 335 G CA 1.258 46.369 45.100 0.018 0.000 0.769 335 G HN 0.793 nan 8.290 nan 0.000 0.547 336 I N -1.671 118.913 120.570 0.024 0.000 2.353 336 I HA -0.010 4.161 4.170 0.003 0.000 0.248 336 I C 2.498 178.632 176.117 0.028 0.000 1.119 336 I CA 1.495 62.815 61.300 0.033 0.000 1.417 336 I CB -0.994 37.028 38.000 0.038 0.000 1.078 336 I HN -0.088 nan 8.210 nan 0.000 0.421 337 T N 2.215 116.781 114.554 0.019 0.000 2.708 337 T HA -0.040 4.312 4.350 0.003 0.000 0.266 337 T C 2.003 176.702 174.700 -0.002 0.000 1.037 337 T CA 1.878 63.985 62.100 0.011 0.000 1.146 337 T CB -0.304 68.568 68.868 0.006 0.000 0.865 337 T HN 0.320 nan 8.240 nan 0.000 0.435 338 I N 0.552 121.116 120.570 -0.010 0.000 2.202 338 I HA -0.103 4.069 4.170 0.003 0.000 0.242 338 I C 2.418 178.529 176.117 -0.010 0.000 1.091 338 I CA 1.005 62.282 61.300 -0.039 0.000 1.368 338 I CB -0.348 37.630 38.000 -0.037 0.000 1.058 338 I HN 0.190 nan 8.210 nan 0.000 0.410 339 L N 0.414 121.651 121.223 0.024 0.000 2.079 339 L HA -0.253 4.089 4.340 0.003 0.000 0.210 339 L C 2.597 179.498 176.870 0.051 0.000 1.081 339 L CA 1.784 56.652 54.840 0.047 0.000 0.752 339 L CB -0.443 41.646 42.059 0.050 0.000 0.896 339 L HN 0.318 nan 8.230 nan 0.000 0.433 340 T N -0.849 113.730 114.554 0.043 0.000 2.746 340 T HA -0.175 4.177 4.350 0.003 0.000 0.267 340 T C 1.901 176.629 174.700 0.047 0.000 1.039 340 T CA 1.482 63.612 62.100 0.049 0.000 1.142 340 T CB -0.260 68.630 68.868 0.037 0.000 0.866 340 T HN 0.168 nan 8.240 nan 0.000 0.444 341 V N 1.477 121.408 119.914 0.027 0.000 2.407 341 V HA -0.172 3.950 4.120 0.003 0.000 0.248 341 V C 2.460 178.599 176.094 0.074 0.000 1.055 341 V CA 1.623 63.941 62.300 0.030 0.000 1.049 341 V CB -0.610 31.201 31.823 -0.021 0.000 0.662 341 V HN 0.551 nan 8.190 nan 0.000 0.455 342 E N -0.170 120.077 120.200 0.079 0.000 2.077 342 E HA -0.172 4.179 4.350 0.003 0.000 0.193 342 E C 2.264 178.946 176.600 0.136 0.000 0.989 342 E CA 1.443 57.937 56.400 0.157 0.000 0.800 342 E CB -0.187 29.610 29.700 0.162 0.000 0.746 342 E HN 0.454 nan 8.360 nan 0.000 0.452 343 V N 1.123 121.097 119.914 0.100 0.000 2.358 343 V HA -0.283 3.838 4.120 0.003 0.000 0.246 343 V C 2.261 178.444 176.094 0.149 0.000 1.047 343 V CA 1.678 64.033 62.300 0.091 0.000 1.035 343 V CB -0.367 31.516 31.823 0.100 0.000 0.658 343 V HN 0.311 nan 8.190 nan 0.000 0.452 344 M N -0.236 119.458 119.600 0.157 0.000 2.108 344 M HA -0.224 4.257 4.480 0.003 0.000 0.261 344 M C 2.295 178.736 176.300 0.236 0.000 1.066 344 M CA 2.045 57.487 55.300 0.236 0.000 1.107 344 M CB -0.448 32.236 32.600 0.141 0.000 1.356 344 M HN 0.190 nan 8.290 nan 0.000 0.406 345 K N 0.774 121.272 120.400 0.162 0.000 2.057 345 K HA -0.197 4.125 4.320 0.003 0.000 0.206 345 K C 1.711 178.356 176.600 0.075 0.000 1.050 345 K CA 1.729 58.090 56.287 0.125 0.000 0.935 345 K CB -0.220 32.377 32.500 0.163 0.000 0.715 345 K HN 0.154 nan 8.250 nan 0.000 0.439 346 E N 0.340 120.585 120.200 0.074 0.000 2.110 346 E HA -0.078 4.274 4.350 0.003 0.000 0.193 346 E C 1.473 178.080 176.600 0.012 0.000 0.988 346 E CA 1.385 57.795 56.400 0.017 0.000 0.804 346 E CB -0.148 29.550 29.700 -0.003 0.000 0.745 346 E HN 0.436 nan 8.360 nan 0.000 0.458 347 L N -1.218 120.052 121.223 0.078 0.000 2.591 347 L HA 0.284 4.626 4.340 0.003 0.000 0.228 347 L C 1.309 178.121 176.870 -0.095 0.000 1.133 347 L CA 0.370 55.244 54.840 0.056 0.000 0.880 347 L CB 0.040 42.252 42.059 0.255 0.000 1.033 347 L HN 0.442 nan 8.230 nan 0.000 0.450 348 G N -1.138 107.628 108.800 -0.056 0.000 2.157 348 G HA2 -0.339 3.623 3.960 0.003 0.000 0.239 348 G HA3 -0.339 3.623 3.960 0.003 0.000 0.239 348 G C 0.412 175.215 174.900 -0.162 0.000 0.982 348 G CA 0.095 45.118 45.100 -0.127 0.000 0.650 348 G HN 0.313 nan 8.290 nan 0.000 0.527 349 Y N 0.148 120.466 120.300 0.029 0.000 2.475 349 Y HA 0.361 4.913 4.550 0.003 0.000 0.289 349 Y C 2.118 178.034 175.900 0.026 0.000 1.121 349 Y CA 0.503 58.620 58.100 0.028 0.000 1.257 349 Y CB 0.185 38.672 38.460 0.044 0.000 1.026 349 Y HN 0.303 nan 8.280 nan 0.000 0.555 350 I N 0.000 120.670 120.570 0.167 0.000 2.984 350 I HA 0.000 4.172 4.170 0.003 0.000 0.288 350 I CA 0.000 61.366 61.300 0.110 0.000 1.566 350 I CB 0.000 38.040 38.000 0.067 0.000 1.214 350 I HN 0.000 nan 8.210 nan 0.000 0.494