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 2btv_1_G DATA FIRST_RESID 1 DATA SEQUENCE MDTIAARALT VMRACATLQE ARIVLEANVM EILGIAINRY NGLTLRGVTM DATA SEQUENCE RPTSLAQRNE MFFMCLDMML SAAGINVGPI SPDYTQHMAT IGVLATPEIP DATA SEQUENCE FTTEAANEIA RVTGETSTWG PARQPYGFFL ETEETFQPGR WFMRAAQAAT DATA SEQUENCE AVVCGPDMIQ VSLNAGARGD VQQIFQGRND PMMIYLVWRR IENFAMAQGN DATA SEQUENCE SQQTQAGVTV SVGGVDMRAG RIIAWDGQAA LHVRNPTQQN AMVQIQVVFY DATA SEQUENCE ISMDKTLNQY PALTAEIFNV YSFRDHTWHG LRTAIRNRTT LPNMLPPIFP DATA SEQUENCE PNDRDSILTL LLLSTLADVY TVLRPEFAMH GVNPMPGPLT AAIARAAYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.252 176.300 -0.079 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 D N 0.421 120.762 120.400 -0.098 0.000 2.097 2 D HA -0.104 4.536 4.640 -0.000 0.000 0.195 2 D C 1.689 177.864 176.300 -0.209 0.000 0.989 2 D CA 2.568 56.489 54.000 -0.132 0.000 0.827 2 D CB -0.769 39.955 40.800 -0.128 0.000 0.966 2 D HN 0.679 nan 8.370 nan 0.000 0.456 3 T N 0.159 114.564 114.554 -0.249 0.000 2.665 3 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 3 T C 2.315 176.869 174.700 -0.243 0.000 1.035 3 T CA 0.989 62.854 62.100 -0.393 0.000 1.151 3 T CB -0.784 67.952 68.868 -0.220 0.000 0.862 3 T HN 0.155 nan 8.240 nan 0.000 0.438 4 I N 2.151 122.653 120.570 -0.113 0.000 2.118 4 I HA -0.201 3.969 4.170 -0.000 0.000 0.241 4 I C 3.254 179.340 176.117 -0.052 0.000 1.070 4 I CA 1.496 62.767 61.300 -0.047 0.000 1.327 4 I CB -0.740 37.243 38.000 -0.028 0.000 1.034 4 I HN 0.376 nan 8.210 nan 0.000 0.405 5 A N 0.654 123.428 122.820 -0.077 0.000 1.883 5 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 5 A C 2.549 180.092 177.584 -0.069 0.000 1.186 5 A CA 2.022 54.020 52.037 -0.066 0.000 0.624 5 A CB -0.999 17.956 19.000 -0.075 0.000 0.822 5 A HN 0.461 nan 8.150 nan 0.000 0.444 6 A N -0.306 122.432 122.820 -0.137 0.000 1.908 6 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 6 A C 2.265 179.851 177.584 0.004 0.000 1.181 6 A CA 1.723 53.681 52.037 -0.131 0.000 0.627 6 A CB -0.481 18.282 19.000 -0.395 0.000 0.818 6 A HN 0.588 nan 8.150 nan 0.000 0.445 7 R N -0.749 119.765 120.500 0.023 0.000 2.075 7 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 7 R C 2.599 178.942 176.300 0.070 0.000 1.140 7 R CA 1.250 57.428 56.100 0.130 0.000 0.928 7 R CB -0.659 29.724 30.300 0.139 0.000 0.834 7 R HN 0.483 nan 8.270 nan 0.000 0.429 8 A N 1.464 124.305 122.820 0.035 0.000 1.958 8 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 8 A C 2.116 179.707 177.584 0.012 0.000 1.178 8 A CA 1.489 53.537 52.037 0.018 0.000 0.642 8 A CB -0.613 18.392 19.000 0.007 0.000 0.816 8 A HN 0.262 nan 8.150 nan 0.000 0.453 9 L N -0.344 120.888 121.223 0.015 0.000 1.976 9 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 9 L C 2.594 179.484 176.870 0.032 0.000 1.071 9 L CA 2.923 57.774 54.840 0.019 0.000 0.746 9 L CB -1.201 40.868 42.059 0.017 0.000 0.890 9 L HN 0.413 nan 8.230 nan 0.000 0.432 10 T N -0.864 113.724 114.554 0.056 0.000 2.685 10 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 10 T C 1.932 176.653 174.700 0.036 0.000 1.034 10 T CA 1.885 64.023 62.100 0.064 0.000 1.149 10 T CB -0.690 68.243 68.868 0.108 0.000 0.860 10 T HN 0.234 nan 8.240 nan 0.000 0.449 11 V N 1.453 121.383 119.914 0.027 0.000 2.237 11 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 11 V C 2.541 178.627 176.094 -0.014 0.000 1.046 11 V CA 1.896 64.195 62.300 -0.001 0.000 1.007 11 V CB -0.683 31.130 31.823 -0.016 0.000 0.638 11 V HN 0.466 nan 8.190 nan 0.000 0.445 12 M N -0.505 119.087 119.600 -0.013 0.000 2.080 12 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 12 M C 2.469 178.771 176.300 0.003 0.000 1.068 12 M CA 1.998 57.291 55.300 -0.011 0.000 1.109 12 M CB -0.613 31.985 32.600 -0.003 0.000 1.342 12 M HN 0.233 nan 8.290 nan 0.000 0.405 13 R N 0.143 120.649 120.500 0.011 0.000 2.117 13 R HA -0.140 4.199 4.340 -0.000 0.000 0.243 13 R C 2.275 178.579 176.300 0.007 0.000 1.143 13 R CA 1.582 57.690 56.100 0.014 0.000 0.968 13 R CB -0.642 29.673 30.300 0.024 0.000 0.863 13 R HN 0.421 nan 8.270 nan 0.000 0.444 14 A N 0.503 123.325 122.820 0.003 0.000 1.970 14 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 14 A C 2.324 179.901 177.584 -0.012 0.000 1.170 14 A CA 0.959 52.994 52.037 -0.004 0.000 0.645 14 A CB -0.486 18.510 19.000 -0.005 0.000 0.816 14 A HN 0.425 nan 8.150 nan 0.000 0.447 15 C N -0.664 118.626 119.300 -0.016 0.000 2.432 15 C HA 0.092 4.552 4.460 -0.000 0.000 0.280 15 C C 3.096 178.078 174.990 -0.013 0.000 1.353 15 C CA 0.540 59.545 59.018 -0.021 0.000 1.766 15 C CB -1.347 26.378 27.740 -0.025 0.000 1.924 15 C HN 0.689 nan 8.230 nan 0.000 0.509 16 A N 0.511 123.329 122.820 -0.005 0.000 2.178 16 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 16 A C 2.042 179.618 177.584 -0.013 0.000 1.157 16 A CA 1.990 54.023 52.037 -0.006 0.000 0.689 16 A CB -0.698 18.302 19.000 -0.000 0.000 0.787 16 A HN 0.607 nan 8.150 nan 0.000 0.465 17 T N 0.076 114.622 114.554 -0.013 0.000 3.055 17 T HA 0.072 4.422 4.350 -0.000 0.000 0.265 17 T C 0.324 175.012 174.700 -0.020 0.000 1.111 17 T CA 0.282 62.373 62.100 -0.014 0.000 1.118 17 T CB -0.198 68.663 68.868 -0.012 0.000 0.909 17 T HN 0.157 nan 8.240 nan 0.000 0.501 18 L N 2.756 123.964 121.223 -0.024 0.000 2.391 18 L HA 0.324 4.664 4.340 -0.000 0.000 0.249 18 L C 1.331 178.180 176.870 -0.035 0.000 1.308 18 L CA 0.255 55.077 54.840 -0.030 0.000 1.209 18 L CB -0.529 41.510 42.059 -0.034 0.000 1.401 18 L HN 0.099 nan 8.230 nan 0.000 0.416 19 Q N 0.181 119.963 119.800 -0.031 0.000 2.269 19 Q HA 0.106 4.446 4.340 -0.000 0.000 0.201 19 Q C 0.602 176.581 176.000 -0.034 0.000 0.946 19 Q CA 0.958 56.741 55.803 -0.034 0.000 0.877 19 Q CB 0.659 29.380 28.738 -0.028 0.000 0.963 19 Q HN 0.613 nan 8.270 nan 0.000 0.472 20 E N -2.720 117.462 120.200 -0.030 0.000 2.440 20 E HA 0.589 4.939 4.350 -0.000 0.000 0.263 20 E C -0.321 176.262 176.600 -0.028 0.000 0.938 20 E CA -0.017 56.366 56.400 -0.028 0.000 0.831 20 E CB 1.265 30.951 29.700 -0.022 0.000 1.456 20 E HN 0.046 nan 8.360 nan 0.000 0.427 21 A N 0.577 123.382 122.820 -0.025 0.000 1.864 21 A HA -0.040 4.280 4.320 -0.000 0.000 0.213 21 A C 1.896 179.468 177.584 -0.020 0.000 1.266 21 A CA 1.333 53.356 52.037 -0.024 0.000 0.612 21 A CB -0.494 18.493 19.000 -0.022 0.000 0.940 21 A HN 0.607 nan 8.150 nan 0.000 0.463 22 R N 0.530 121.020 120.500 -0.017 0.000 2.148 22 R HA 0.042 4.382 4.340 -0.000 0.000 0.223 22 R C 0.544 176.836 176.300 -0.014 0.000 1.088 22 R CA 0.697 56.789 56.100 -0.015 0.000 0.985 22 R CB -1.290 29.002 30.300 -0.013 0.000 0.880 22 R HN 0.500 nan 8.270 nan 0.000 0.451 23 I N 1.559 122.120 120.570 -0.015 0.000 3.087 23 I HA -0.073 4.097 4.170 -0.000 0.000 0.318 23 I C 0.417 176.527 176.117 -0.013 0.000 1.209 23 I CA -0.543 60.748 61.300 -0.014 0.000 1.460 23 I CB -0.053 37.939 38.000 -0.014 0.000 1.306 23 I HN 0.007 nan 8.210 nan 0.000 0.560 24 V N 5.092 124.999 119.914 -0.011 0.000 2.649 24 V HA 0.520 4.640 4.120 -0.000 0.000 0.292 24 V C 0.173 176.261 176.094 -0.011 0.000 1.055 24 V CA -0.738 61.555 62.300 -0.011 0.000 1.023 24 V CB 1.024 32.841 31.823 -0.009 0.000 0.992 24 V HN 0.662 nan 8.190 nan 0.000 0.480 25 L N 3.340 124.556 121.223 -0.011 0.000 2.358 25 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 25 L C 0.568 177.432 176.870 -0.010 0.000 1.032 25 L CA -0.423 54.410 54.840 -0.011 0.000 0.805 25 L CB 1.409 43.460 42.059 -0.013 0.000 1.253 25 L HN 1.070 nan 8.230 nan 0.000 0.452 26 E N 0.278 120.472 120.200 -0.009 0.000 2.360 26 E HA 0.275 4.625 4.350 -0.000 0.000 0.269 26 E C 0.732 177.326 176.600 -0.010 0.000 1.022 26 E CA -0.052 56.343 56.400 -0.009 0.000 0.887 26 E CB 1.131 30.827 29.700 -0.007 0.000 0.990 26 E HN 0.632 nan 8.360 nan 0.000 0.426 27 A N 4.584 127.398 122.820 -0.010 0.000 1.971 27 A HA -0.348 3.972 4.320 -0.000 0.000 0.222 27 A C 2.050 179.627 177.584 -0.013 0.000 1.182 27 A CA 2.174 54.205 52.037 -0.011 0.000 0.649 27 A CB -1.003 17.990 19.000 -0.011 0.000 0.818 27 A HN 0.953 nan 8.150 nan 0.000 0.458 28 N N -0.358 118.334 118.700 -0.012 0.000 2.069 28 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 28 N C 1.740 177.243 175.510 -0.013 0.000 1.031 28 N CA 1.816 54.858 53.050 -0.014 0.000 0.852 28 N CB -0.157 38.323 38.487 -0.012 0.000 1.018 28 N HN 0.284 nan 8.380 nan 0.000 0.423 29 V N 2.083 121.991 119.914 -0.011 0.000 2.255 29 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 29 V C 2.487 178.574 176.094 -0.013 0.000 1.051 29 V CA 1.698 63.992 62.300 -0.011 0.000 1.018 29 V CB -0.447 31.369 31.823 -0.011 0.000 0.641 29 V HN 0.376 nan 8.190 nan 0.000 0.445 30 M N -0.541 119.051 119.600 -0.013 0.000 2.082 30 M HA -0.277 4.203 4.480 -0.000 0.000 0.258 30 M C 2.280 178.573 176.300 -0.012 0.000 1.069 30 M CA 2.429 57.722 55.300 -0.013 0.000 1.102 30 M CB -0.790 31.803 32.600 -0.012 0.000 1.336 30 M HN 0.473 nan 8.290 nan 0.000 0.404 31 E N 1.191 121.383 120.200 -0.014 0.000 2.058 31 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 31 E C 1.848 178.439 176.600 -0.015 0.000 0.997 31 E CA 1.480 57.870 56.400 -0.016 0.000 0.801 31 E CB -0.085 29.603 29.700 -0.020 0.000 0.746 31 E HN 0.499 nan 8.360 nan 0.000 0.450 32 I N 0.834 121.396 120.570 -0.014 0.000 2.090 32 I HA -0.321 3.849 4.170 -0.000 0.000 0.236 32 I C 2.588 178.701 176.117 -0.007 0.000 1.064 32 I CA 1.129 62.422 61.300 -0.010 0.000 1.324 32 I CB -0.376 37.620 38.000 -0.007 0.000 1.044 32 I HN 0.197 nan 8.210 nan 0.000 0.399 33 L N 0.578 121.794 121.223 -0.012 0.000 2.127 33 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 33 L C 2.675 179.539 176.870 -0.009 0.000 1.089 33 L CA 1.388 56.218 54.840 -0.017 0.000 0.757 33 L CB -1.282 40.762 42.059 -0.024 0.000 0.899 33 L HN 0.387 nan 8.230 nan 0.000 0.434 34 G N 0.841 109.637 108.800 -0.007 0.000 2.545 34 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 34 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 34 G C 1.539 176.442 174.900 0.006 0.000 1.218 34 G CA 1.036 46.135 45.100 -0.002 0.000 0.787 34 G HN 0.286 nan 8.290 nan 0.000 0.571 35 I N 1.484 122.057 120.570 0.005 0.000 2.142 35 I HA -0.160 4.010 4.170 -0.000 0.000 0.240 35 I C 3.352 179.486 176.117 0.028 0.000 1.078 35 I CA 0.979 62.286 61.300 0.012 0.000 1.343 35 I CB -0.476 37.527 38.000 0.005 0.000 1.046 35 I HN 0.267 nan 8.210 nan 0.000 0.405 36 A N 1.622 124.458 122.820 0.027 0.000 1.852 36 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 36 A C 2.315 179.945 177.584 0.077 0.000 1.215 36 A CA 2.055 54.118 52.037 0.044 0.000 0.641 36 A CB -1.193 17.815 19.000 0.014 0.000 0.838 36 A HN 0.392 nan 8.150 nan 0.000 0.450 37 I N -0.150 120.446 120.570 0.044 0.000 2.236 37 I HA -0.332 3.838 4.170 -0.000 0.000 0.249 37 I C 2.454 178.636 176.117 0.108 0.000 1.102 37 I CA 1.763 63.105 61.300 0.071 0.000 1.365 37 I CB -0.568 37.444 38.000 0.020 0.000 1.051 37 I HN 0.518 nan 8.210 nan 0.000 0.420 38 N N 1.376 120.115 118.700 0.065 0.000 2.022 38 N HA -0.243 4.497 4.740 -0.000 0.000 0.194 38 N C 1.956 177.496 175.510 0.051 0.000 1.057 38 N CA 1.725 54.803 53.050 0.047 0.000 0.849 38 N CB -0.224 38.279 38.487 0.026 0.000 1.044 38 N HN 0.036 nan 8.380 nan 0.000 0.424 39 R N -0.832 119.700 120.500 0.053 0.000 2.127 39 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 39 R C 2.158 178.484 176.300 0.043 0.000 1.134 39 R CA 1.339 57.463 56.100 0.040 0.000 0.975 39 R CB -0.998 29.328 30.300 0.044 0.000 0.865 39 R HN 0.498 nan 8.270 nan 0.000 0.447 40 Y N 0.590 120.879 120.300 -0.019 0.000 2.060 40 Y HA -0.164 4.386 4.550 -0.000 0.000 0.276 40 Y C 1.649 177.521 175.900 -0.047 0.000 1.127 40 Y CA 2.408 60.489 58.100 -0.031 0.000 1.104 40 Y CB -0.621 37.823 38.460 -0.026 0.000 0.983 40 Y HN 0.206 nan 8.280 nan 0.000 0.483 41 N N -0.184 118.576 118.700 0.099 0.000 2.258 41 N HA -0.198 4.542 4.740 -0.000 0.000 0.187 41 N C 1.869 177.322 175.510 -0.095 0.000 1.012 41 N CA 0.674 53.718 53.050 -0.010 0.000 0.870 41 N CB -0.464 38.065 38.487 0.069 0.000 0.977 41 N HN 0.576 nan 8.380 nan 0.000 0.434 42 G N 1.324 110.082 108.800 -0.069 0.000 2.524 42 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 42 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 42 G C 1.286 176.120 174.900 -0.110 0.000 1.239 42 G CA 0.456 45.516 45.100 -0.067 0.000 0.798 42 G HN 0.148 nan 8.290 nan 0.000 0.557 43 L N 0.538 121.676 121.223 -0.142 0.000 2.395 43 L HA 0.035 4.375 4.340 -0.000 0.000 0.218 43 L C 2.895 179.618 176.870 -0.245 0.000 1.130 43 L CA 0.969 55.716 54.840 -0.155 0.000 0.826 43 L CB -0.422 41.563 42.059 -0.124 0.000 0.941 43 L HN 0.199 nan 8.230 nan 0.000 0.451 44 T N -0.405 113.901 114.554 -0.413 0.000 2.894 44 T HA 0.049 4.399 4.350 -0.000 0.000 0.258 44 T C 1.100 175.575 174.700 -0.374 0.000 1.043 44 T CA 0.459 62.203 62.100 -0.593 0.000 1.141 44 T CB 0.177 68.389 68.868 -1.094 0.000 0.873 44 T HN 0.108 nan 8.240 nan 0.000 0.449 45 L N -0.268 120.812 121.223 -0.238 0.000 4.937 45 L HA -0.140 4.200 4.340 -0.000 0.000 0.422 45 L C 0.591 177.405 176.870 -0.094 0.000 1.059 45 L CA 0.803 55.568 54.840 -0.125 0.000 1.111 45 L CB -1.655 40.354 42.059 -0.084 0.000 2.033 45 L HN 0.190 nan 8.230 nan 0.000 0.708 46 R N -0.332 120.093 120.500 -0.124 0.000 2.553 46 R HA 0.684 5.024 4.340 -0.000 0.000 0.263 46 R C 0.917 177.236 176.300 0.032 0.000 1.066 46 R CA 0.182 56.269 56.100 -0.023 0.000 1.135 46 R CB 0.886 31.197 30.300 0.018 0.000 1.148 46 R HN 0.143 nan 8.270 nan 0.000 0.558 47 G N 1.042 109.874 108.800 0.054 0.000 3.963 47 G HA2 0.337 4.297 3.960 -0.000 0.000 0.315 47 G HA3 0.337 4.297 3.960 -0.000 0.000 0.315 47 G C -0.359 174.570 174.900 0.048 0.000 1.254 47 G CA -0.325 44.802 45.100 0.045 0.000 1.395 47 G HN 0.218 nan 8.290 nan 0.000 0.538 48 V N 1.377 121.335 119.914 0.073 0.000 2.649 48 V HA 0.474 4.594 4.120 -0.000 0.000 0.292 48 V C 0.557 176.656 176.094 0.010 0.000 1.055 48 V CA -0.128 62.191 62.300 0.032 0.000 1.023 48 V CB 1.430 33.266 31.823 0.021 0.000 0.992 48 V HN 0.511 nan 8.190 nan 0.000 0.480 49 T N 4.602 119.147 114.554 -0.016 0.000 2.885 49 T HA 0.353 4.703 4.350 -0.000 0.000 0.285 49 T C 0.962 175.646 174.700 -0.027 0.000 1.019 49 T CA -0.641 61.450 62.100 -0.016 0.000 1.010 49 T CB 1.754 70.611 68.868 -0.020 0.000 1.022 49 T HN 0.453 nan 8.240 nan 0.000 0.466 50 M N 0.680 120.267 119.600 -0.021 0.000 2.086 50 M HA 0.040 4.520 4.480 -0.000 0.000 0.261 50 M C 1.036 177.319 176.300 -0.028 0.000 1.067 50 M CA 1.606 56.892 55.300 -0.024 0.000 1.116 50 M CB -0.319 32.270 32.600 -0.017 0.000 1.348 50 M HN 0.392 nan 8.290 nan 0.000 0.407 51 R N 0.681 121.166 120.500 -0.025 0.000 2.346 51 R HA 0.295 4.635 4.340 -0.000 0.000 0.309 51 R C -2.503 173.779 176.300 -0.030 0.000 1.119 51 R CA -1.759 54.325 56.100 -0.027 0.000 1.112 51 R CB 0.552 30.839 30.300 -0.021 0.000 1.132 51 R HN 0.012 nan 8.270 nan 0.000 0.538 52 P HA 0.312 nan 4.420 nan 0.000 0.279 52 P C -0.128 177.146 177.300 -0.042 0.000 1.252 52 P CA -0.323 62.750 63.100 -0.045 0.000 0.811 52 P CB 1.777 33.441 31.700 -0.060 0.000 1.035 53 T N -4.003 110.527 114.554 -0.041 0.000 3.525 53 T HA -0.014 4.336 4.350 -0.000 0.000 0.286 53 T C 1.710 176.388 174.700 -0.037 0.000 0.944 53 T CA 0.659 62.737 62.100 -0.036 0.000 1.063 53 T CB -1.039 67.812 68.868 -0.027 0.000 1.179 53 T HN 0.327 nan 8.240 nan 0.000 0.493 54 S N 2.428 118.108 115.700 -0.034 0.000 2.378 54 S HA 0.028 4.498 4.470 -0.000 0.000 0.221 54 S C 1.548 176.126 174.600 -0.037 0.000 1.037 54 S CA 1.993 60.175 58.200 -0.030 0.000 1.069 54 S CB -0.535 62.651 63.200 -0.024 0.000 1.006 54 S HN 1.237 nan 8.310 nan 0.000 0.423 55 L N -1.771 119.422 121.223 -0.050 0.000 1.243 55 L HA 0.168 4.508 4.340 -0.000 0.000 0.116 55 L C 1.598 178.422 176.870 -0.078 0.000 1.492 55 L CA 1.205 56.008 54.840 -0.062 0.000 1.219 55 L CB -1.277 40.760 42.059 -0.037 0.000 2.253 55 L HN 0.274 nan 8.230 nan 0.000 0.449 56 A N 0.359 123.149 122.820 -0.049 0.000 1.986 56 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 56 A C 1.891 179.422 177.584 -0.088 0.000 1.171 56 A CA 2.392 54.400 52.037 -0.048 0.000 0.640 56 A CB -0.678 18.317 19.000 -0.008 0.000 0.811 56 A HN 0.779 nan 8.150 nan 0.000 0.451 57 Q N -1.066 118.688 119.800 -0.077 0.000 2.096 57 Q HA -0.062 4.278 4.340 -0.000 0.000 0.197 57 Q C 2.346 178.271 176.000 -0.124 0.000 0.964 57 Q CA 1.041 56.795 55.803 -0.081 0.000 0.838 57 Q CB -0.128 28.578 28.738 -0.054 0.000 0.906 57 Q HN 0.640 nan 8.270 nan 0.000 0.444 58 R N 0.639 121.060 120.500 -0.132 0.000 2.081 58 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 58 R C 1.898 178.055 176.300 -0.238 0.000 1.131 58 R CA 1.124 57.133 56.100 -0.150 0.000 0.960 58 R CB -0.254 29.965 30.300 -0.135 0.000 0.856 58 R HN 0.272 nan 8.270 nan 0.000 0.436 59 N N 1.071 119.562 118.700 -0.349 0.000 2.058 59 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 59 N C 1.701 176.512 175.510 -1.165 0.000 1.037 59 N CA 1.283 53.880 53.050 -0.755 0.000 0.848 59 N CB -0.378 37.707 38.487 -0.670 0.000 1.021 59 N HN 0.168 nan 8.380 nan 0.000 0.422 60 E N 0.849 120.649 120.200 -0.667 0.000 2.086 60 E HA -0.194 4.156 4.350 -0.000 0.000 0.200 60 E C 2.001 178.485 176.600 -0.195 0.000 1.012 60 E CA 1.269 57.478 56.400 -0.319 0.000 0.812 60 E CB -0.219 29.428 29.700 -0.089 0.000 0.743 60 E HN 0.376 nan 8.360 nan 0.000 0.453 61 M N -1.005 118.480 119.600 -0.193 0.000 2.077 61 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 61 M C 1.948 178.181 176.300 -0.111 0.000 1.070 61 M CA 1.599 56.815 55.300 -0.140 0.000 1.125 61 M CB -0.253 32.284 32.600 -0.105 0.000 1.339 61 M HN 0.238 nan 8.290 nan 0.000 0.409 62 F N 0.942 120.748 119.950 -0.240 0.000 2.120 62 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 62 F C 1.481 177.301 175.800 0.034 0.000 1.095 62 F CA 1.686 59.608 58.000 -0.130 0.000 1.249 62 F CB -0.504 38.398 39.000 -0.164 0.000 0.995 62 F HN 0.172 nan 8.300 nan 0.000 0.480 63 F N 0.077 119.922 119.950 -0.175 0.000 2.171 63 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 63 F C 2.568 178.331 175.800 -0.061 0.000 1.090 63 F CA 1.344 59.267 58.000 -0.128 0.000 1.293 63 F CB -1.519 37.595 39.000 0.190 0.000 1.013 63 F HN 0.138 nan 8.300 nan 0.000 0.486 64 M N -0.400 119.231 119.600 0.052 0.000 2.065 64 M HA -0.255 4.225 4.480 -0.000 0.000 0.259 64 M C 2.370 178.555 176.300 -0.192 0.000 1.071 64 M CA 2.223 57.395 55.300 -0.213 0.000 1.109 64 M CB -0.617 31.598 32.600 -0.643 0.000 1.313 64 M HN 0.176 nan 8.290 nan 0.000 0.408 65 C N 0.508 119.669 119.300 -0.231 0.000 2.413 65 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 65 C C 2.614 177.481 174.990 -0.204 0.000 1.236 65 C CA 0.943 59.840 59.018 -0.201 0.000 1.735 65 C CB -1.560 26.062 27.740 -0.196 0.000 2.031 65 C HN 0.739 nan 8.230 nan 0.000 0.474 66 L N 1.379 122.388 121.223 -0.357 0.000 2.012 66 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 66 L C 2.108 178.929 176.870 -0.082 0.000 1.073 66 L CA 2.087 56.723 54.840 -0.339 0.000 0.748 66 L CB -0.997 40.690 42.059 -0.621 0.000 0.891 66 L HN 0.279 nan 8.230 nan 0.000 0.431 67 D N -0.736 119.706 120.400 0.071 0.000 2.092 67 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 67 D C 2.227 178.598 176.300 0.119 0.000 0.994 67 D CA 2.059 56.184 54.000 0.207 0.000 0.828 67 D CB -0.130 40.871 40.800 0.335 0.000 0.963 67 D HN 0.406 nan 8.370 nan 0.000 0.450 68 M N -0.266 119.378 119.600 0.074 0.000 2.117 68 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 68 M C 2.317 178.628 176.300 0.019 0.000 1.065 68 M CA 1.022 56.351 55.300 0.049 0.000 1.114 68 M CB -0.319 32.290 32.600 0.016 0.000 1.361 68 M HN 0.043 nan 8.290 nan 0.000 0.408 69 M N 1.218 120.812 119.600 -0.010 0.000 2.080 69 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 69 M C 1.950 178.247 176.300 -0.006 0.000 1.068 69 M CA 1.992 57.283 55.300 -0.016 0.000 1.109 69 M CB -0.622 31.958 32.600 -0.035 0.000 1.342 69 M HN 0.303 nan 8.290 nan 0.000 0.405 70 L N -0.751 120.474 121.223 0.003 0.000 2.027 70 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 70 L C 2.441 179.323 176.870 0.019 0.000 1.074 70 L CA 1.257 56.105 54.840 0.013 0.000 0.745 70 L CB -0.935 41.147 42.059 0.038 0.000 0.898 70 L HN 0.261 nan 8.230 nan 0.000 0.433 71 S N 0.088 115.809 115.700 0.035 0.000 2.382 71 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 71 S C 2.171 176.780 174.600 0.015 0.000 1.027 71 S CA 1.230 59.450 58.200 0.033 0.000 0.991 71 S CB -0.257 62.975 63.200 0.053 0.000 0.823 71 S HN 0.488 nan 8.310 nan 0.000 0.469 72 A N 1.129 123.955 122.820 0.009 0.000 1.968 72 A HA 0.275 4.595 4.320 -0.000 0.000 0.217 72 A C 2.224 179.799 177.584 -0.015 0.000 1.169 72 A CA 1.417 53.450 52.037 -0.006 0.000 0.638 72 A CB -0.721 18.273 19.000 -0.010 0.000 0.812 72 A HN 0.500 nan 8.150 nan 0.000 0.446 73 A N -1.623 121.189 122.820 -0.013 0.000 2.072 73 A HA 0.403 4.723 4.320 -0.000 0.000 0.216 73 A C 1.729 179.304 177.584 -0.015 0.000 1.156 73 A CA 1.234 53.259 52.037 -0.019 0.000 0.701 73 A CB -0.825 18.163 19.000 -0.020 0.000 0.816 73 A HN 1.916 nan 8.150 nan 0.000 0.458 74 G N -0.608 108.188 108.800 -0.007 0.000 2.248 74 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.263 74 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.263 74 G C -0.165 174.733 174.900 -0.004 0.000 1.082 74 G CA 0.292 45.389 45.100 -0.005 0.000 0.863 74 G HN 0.471 nan 8.290 nan 0.000 0.495 75 I N -0.141 120.429 120.570 -0.000 0.000 2.493 75 I HA 0.373 4.543 4.170 -0.000 0.000 0.298 75 I C 0.347 176.469 176.117 0.008 0.000 0.998 75 I CA -0.854 60.445 61.300 -0.000 0.000 1.137 75 I CB 2.117 40.114 38.000 -0.007 0.000 1.310 75 I HN 0.220 nan 8.210 nan 0.000 0.445 76 N N 4.690 123.393 118.700 0.005 0.000 2.776 76 N HA 0.216 4.956 4.740 -0.000 0.000 0.245 76 N C 0.848 176.363 175.510 0.010 0.000 1.121 76 N CA -0.353 52.701 53.050 0.008 0.000 0.852 76 N CB 1.258 39.745 38.487 -0.001 0.000 1.142 76 N HN 0.581 nan 8.380 nan 0.000 0.514 77 V N 1.493 121.422 119.914 0.024 0.000 2.490 77 V HA 0.199 4.319 4.120 -0.000 0.000 0.250 77 V C 1.252 177.363 176.094 0.028 0.000 1.061 77 V CA 1.330 63.647 62.300 0.027 0.000 1.064 77 V CB -1.564 30.289 31.823 0.050 0.000 0.670 77 V HN 0.743 nan 8.190 nan 0.000 0.461 78 G N 0.955 109.769 108.800 0.024 0.000 2.725 78 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.220 78 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.220 78 G C -2.254 172.668 174.900 0.036 0.000 1.357 78 G CA -0.266 44.843 45.100 0.015 0.000 0.866 78 G HN 0.707 nan 8.290 nan 0.000 0.548 79 P HA 0.222 nan 4.420 nan 0.000 0.263 79 P C 1.032 178.438 177.300 0.178 0.000 1.345 79 P CA 0.619 63.774 63.100 0.092 0.000 1.119 79 P CB -0.636 31.109 31.700 0.076 0.000 1.363 80 I N -0.214 120.446 120.570 0.150 0.000 4.288 80 I HA 0.318 4.488 4.170 -0.000 0.000 0.331 80 I C 0.257 176.375 176.117 0.002 0.000 1.322 80 I CA -0.235 61.149 61.300 0.140 0.000 1.149 80 I CB 0.578 38.630 38.000 0.087 0.000 1.112 80 I HN 0.133 nan 8.210 nan 0.000 0.403 81 S N 1.515 117.168 115.700 -0.078 0.000 2.537 81 S HA 0.534 5.004 4.470 -0.000 0.000 0.270 81 S C -2.324 172.152 174.600 -0.207 0.000 1.142 81 S CA -0.854 57.199 58.200 -0.245 0.000 0.870 81 S CB 1.930 65.181 63.200 0.084 0.000 1.112 81 S HN 0.020 nan 8.310 nan 0.000 0.466 82 P HA 0.173 nan 4.420 nan 0.000 0.235 82 P C 0.085 177.393 177.300 0.012 0.000 1.177 82 P CA 0.609 63.688 63.100 -0.035 0.000 0.785 82 P CB 0.258 31.968 31.700 0.016 0.000 0.885 83 D N -1.296 119.132 120.400 0.046 0.000 2.262 83 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 83 D C 0.474 176.738 176.300 -0.061 0.000 0.964 83 D CA 0.643 54.699 54.000 0.092 0.000 0.875 83 D CB -0.370 40.589 40.800 0.263 0.000 0.996 83 D HN 0.211 nan 8.370 nan 0.000 0.497 84 Y N 1.034 121.133 120.300 -0.335 0.000 2.342 84 Y HA 0.421 4.971 4.550 -0.000 0.000 0.334 84 Y C -0.833 174.871 175.900 -0.327 0.000 1.067 84 Y CA -0.198 57.519 58.100 -0.639 0.000 1.128 84 Y CB 1.595 39.465 38.460 -0.982 0.000 1.200 84 Y HN -0.351 nan 8.280 nan 0.000 0.464 85 T N 6.476 120.352 114.554 -1.130 0.000 2.937 85 T HA 0.174 4.524 4.350 -0.000 0.000 0.297 85 T C -1.117 172.842 174.700 -1.236 0.000 0.991 85 T CA -0.739 60.831 62.100 -0.884 0.000 0.990 85 T CB 1.318 69.877 68.868 -0.516 0.000 0.991 85 T HN 0.721 nan 8.240 nan 0.000 0.440 86 Q N 2.533 121.806 119.800 -0.877 0.000 2.352 86 Q HA 0.122 4.462 4.340 -0.000 0.000 0.260 86 Q C -0.704 175.054 176.000 -0.403 0.000 0.976 86 Q CA -0.138 55.388 55.803 -0.462 0.000 0.881 86 Q CB 0.474 29.161 28.738 -0.086 0.000 1.235 86 Q HN 0.636 nan 8.270 nan 0.000 0.419 87 H N 5.455 124.454 119.070 -0.119 0.000 2.551 87 H HA 0.130 4.686 4.556 -0.000 0.000 0.321 87 H C 0.453 175.757 175.328 -0.040 0.000 1.028 87 H CA -0.671 55.325 56.048 -0.086 0.000 1.215 87 H CB 1.390 31.096 29.762 -0.093 0.000 1.414 87 H HN 0.721 nan 8.280 nan 0.000 0.480 88 M N 1.666 121.284 119.600 0.029 0.000 2.296 88 M HA -0.050 4.430 4.480 -0.000 0.000 0.265 88 M C 2.256 178.575 176.300 0.033 0.000 1.064 88 M CA 0.634 55.947 55.300 0.023 0.000 1.109 88 M CB -1.149 31.447 32.600 -0.006 0.000 1.396 88 M HN 0.643 nan 8.290 nan 0.000 0.430 89 A N 0.194 123.036 122.820 0.037 0.000 2.076 89 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 89 A C 2.306 179.891 177.584 0.001 0.000 1.160 89 A CA 2.013 54.053 52.037 0.006 0.000 0.653 89 A CB -1.130 17.858 19.000 -0.020 0.000 0.801 89 A HN 0.489 nan 8.150 nan 0.000 0.455 90 T N 0.243 114.819 114.554 0.037 0.000 2.699 90 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 90 T C 1.773 176.514 174.700 0.069 0.000 1.036 90 T CA 1.708 63.854 62.100 0.078 0.000 1.147 90 T CB -0.407 68.557 68.868 0.161 0.000 0.862 90 T HN 0.467 nan 8.240 nan 0.000 0.446 91 I N 1.655 122.256 120.570 0.051 0.000 2.264 91 I HA -0.086 4.084 4.170 -0.000 0.000 0.248 91 I C 2.467 178.602 176.117 0.030 0.000 1.111 91 I CA 1.443 62.766 61.300 0.037 0.000 1.382 91 I CB -0.859 37.156 38.000 0.025 0.000 1.060 91 I HN 0.262 nan 8.210 nan 0.000 0.418 92 G N -0.561 108.251 108.800 0.020 0.000 2.432 92 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 92 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 92 G C 1.600 176.512 174.900 0.021 0.000 1.135 92 G CA 1.089 46.197 45.100 0.013 0.000 0.767 92 G HN 0.387 nan 8.290 nan 0.000 0.550 93 V N 0.374 120.306 119.914 0.030 0.000 2.591 93 V HA -0.005 4.115 4.120 -0.000 0.000 0.249 93 V C 2.664 178.796 176.094 0.063 0.000 1.053 93 V CA 0.796 63.124 62.300 0.047 0.000 1.068 93 V CB -0.173 31.693 31.823 0.072 0.000 0.689 93 V HN 0.195 nan 8.190 nan 0.000 0.462 94 L N 0.578 121.839 121.223 0.063 0.000 2.179 94 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 94 L C 2.550 179.452 176.870 0.053 0.000 1.096 94 L CA 1.909 56.786 54.840 0.062 0.000 0.779 94 L CB -1.394 40.696 42.059 0.051 0.000 0.922 94 L HN 0.290 nan 8.230 nan 0.000 0.443 95 A N -1.666 121.177 122.820 0.039 0.000 2.121 95 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 95 A C 1.214 178.823 177.584 0.041 0.000 1.154 95 A CA 0.714 52.770 52.037 0.033 0.000 0.679 95 A CB -0.891 18.122 19.000 0.021 0.000 0.795 95 A HN 0.348 nan 8.150 nan 0.000 0.458 96 T N 2.831 117.411 114.554 0.044 0.000 2.751 96 T HA 0.238 4.588 4.350 -0.000 0.000 0.290 96 T C -1.565 173.171 174.700 0.060 0.000 0.919 96 T CA -0.592 61.534 62.100 0.043 0.000 1.136 96 T CB 0.877 69.767 68.868 0.037 0.000 0.875 96 T HN 0.291 nan 8.240 nan 0.000 0.532 97 P HA -0.050 nan 4.420 nan 0.000 0.236 97 P C 0.848 178.178 177.300 0.049 0.000 1.172 97 P CA 0.600 63.745 63.100 0.076 0.000 0.759 97 P CB 0.463 32.199 31.700 0.061 0.000 0.843 98 E N 0.715 120.938 120.200 0.038 0.000 2.031 98 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 98 E C 1.022 177.633 176.600 0.018 0.000 0.994 98 E CA 0.735 57.148 56.400 0.021 0.000 0.800 98 E CB -0.745 28.968 29.700 0.022 0.000 0.752 98 E HN 0.364 nan 8.360 nan 0.000 0.447 99 I N 3.329 123.924 120.570 0.042 0.000 2.533 99 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 99 I C -1.863 174.281 176.117 0.045 0.000 1.109 99 I CA -1.760 59.568 61.300 0.046 0.000 1.412 99 I CB 0.392 38.436 38.000 0.073 0.000 1.396 99 I HN 0.034 nan 8.210 nan 0.000 0.543 100 P HA 0.397 nan 4.420 nan 0.000 0.282 100 P C -1.159 176.116 177.300 -0.041 0.000 1.287 100 P CA -0.237 62.761 63.100 -0.169 0.000 0.792 100 P CB 0.969 32.558 31.700 -0.185 0.000 1.163 101 F N -3.556 116.397 119.950 0.005 0.000 2.604 101 F HA 0.429 4.956 4.527 -0.000 0.000 0.316 101 F C -0.089 175.715 175.800 0.006 0.000 1.136 101 F CA -1.100 56.903 58.000 0.005 0.000 0.989 101 F CB -0.089 38.915 39.000 0.007 0.000 1.258 101 F HN 0.227 nan 8.300 nan 0.000 0.451 102 T N -1.024 113.632 114.554 0.170 0.000 2.855 102 T HA 0.135 4.485 4.350 -0.000 0.000 0.322 102 T C 1.000 175.803 174.700 0.172 0.000 1.088 102 T CA 0.281 62.445 62.100 0.106 0.000 1.104 102 T CB 0.765 69.680 68.868 0.078 0.000 0.996 102 T HN 0.778 nan 8.240 nan 0.000 0.549 103 T N 1.435 116.049 114.554 0.100 0.000 2.746 103 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 103 T C 1.812 176.574 174.700 0.103 0.000 1.039 103 T CA 1.599 63.764 62.100 0.108 0.000 1.142 103 T CB -0.378 68.525 68.868 0.057 0.000 0.866 103 T HN 0.730 nan 8.240 nan 0.000 0.444 104 E N 1.877 122.125 120.200 0.080 0.000 2.038 104 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 104 E C 2.483 179.132 176.600 0.082 0.000 1.000 104 E CA 1.312 57.753 56.400 0.067 0.000 0.803 104 E CB -0.734 28.999 29.700 0.055 0.000 0.750 104 E HN 0.512 nan 8.360 nan 0.000 0.448 105 A N 0.999 123.879 122.820 0.100 0.000 1.940 105 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 105 A C 2.366 179.986 177.584 0.061 0.000 1.176 105 A CA 2.088 54.179 52.037 0.090 0.000 0.631 105 A CB -0.926 18.145 19.000 0.119 0.000 0.814 105 A HN 0.292 nan 8.150 nan 0.000 0.446 106 A N 0.282 123.167 122.820 0.108 0.000 1.877 106 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 106 A C 1.970 179.572 177.584 0.030 0.000 1.186 106 A CA 1.592 53.660 52.037 0.051 0.000 0.620 106 A CB -0.722 18.391 19.000 0.189 0.000 0.822 106 A HN 0.677 nan 8.150 nan 0.000 0.443 107 N N -0.615 118.119 118.700 0.057 0.000 2.244 107 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 107 N C 1.699 177.248 175.510 0.065 0.000 1.016 107 N CA 1.280 54.358 53.050 0.047 0.000 0.866 107 N CB -0.158 38.353 38.487 0.040 0.000 0.980 107 N HN 0.634 nan 8.380 nan 0.000 0.430 108 E N 0.867 121.119 120.200 0.087 0.000 2.038 108 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 108 E C 1.980 178.667 176.600 0.144 0.000 1.000 108 E CA 0.849 57.348 56.400 0.164 0.000 0.803 108 E CB 0.094 29.886 29.700 0.153 0.000 0.750 108 E HN 0.235 nan 8.360 nan 0.000 0.448 109 I N 0.902 121.496 120.570 0.040 0.000 2.252 109 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 109 I C 2.466 178.582 176.117 -0.002 0.000 1.102 109 I CA 1.057 62.348 61.300 -0.014 0.000 1.385 109 I CB -1.517 36.437 38.000 -0.077 0.000 1.064 109 I HN 0.037 nan 8.210 nan 0.000 0.414 110 A N 0.772 123.594 122.820 0.004 0.000 1.978 110 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 110 A C 2.447 180.047 177.584 0.026 0.000 1.170 110 A CA 1.967 54.006 52.037 0.003 0.000 0.636 110 A CB -0.522 18.482 19.000 0.006 0.000 0.810 110 A HN 0.318 nan 8.150 nan 0.000 0.448 111 R N -0.290 120.253 120.500 0.073 0.000 2.055 111 R HA -0.005 4.335 4.340 -0.000 0.000 0.226 111 R C 1.884 178.262 176.300 0.129 0.000 1.135 111 R CA 1.857 58.020 56.100 0.104 0.000 0.959 111 R CB -1.121 29.267 30.300 0.148 0.000 0.854 111 R HN 0.207 nan 8.270 nan 0.000 0.431 112 V N 0.593 120.594 119.914 0.145 0.000 2.231 112 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 112 V C 2.084 178.169 176.094 -0.016 0.000 1.054 112 V CA 2.609 64.926 62.300 0.028 0.000 1.015 112 V CB -0.959 30.801 31.823 -0.105 0.000 0.638 112 V HN 0.520 nan 8.190 nan 0.000 0.444 113 T N 0.035 114.572 114.554 -0.030 0.000 2.788 113 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 113 T C 1.889 176.557 174.700 -0.053 0.000 1.044 113 T CA 1.393 63.462 62.100 -0.051 0.000 1.139 113 T CB -0.789 68.049 68.868 -0.051 0.000 0.867 113 T HN 0.630 nan 8.240 nan 0.000 0.454 114 G N 2.391 111.173 108.800 -0.029 0.000 2.545 114 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 114 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 114 G C 1.484 176.349 174.900 -0.058 0.000 1.218 114 G CA 1.428 46.507 45.100 -0.034 0.000 0.787 114 G HN 0.710 nan 8.290 nan 0.000 0.571 115 E N -0.771 119.407 120.200 -0.036 0.000 2.072 115 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 115 E C 2.255 178.781 176.600 -0.123 0.000 0.982 115 E CA 1.540 57.906 56.400 -0.057 0.000 0.803 115 E CB -1.049 28.650 29.700 -0.001 0.000 0.755 115 E HN 0.217 nan 8.360 nan 0.000 0.453 116 T N 0.045 114.537 114.554 -0.102 0.000 2.849 116 T HA -0.175 4.175 4.350 -0.000 0.000 0.270 116 T C 1.850 176.409 174.700 -0.235 0.000 1.066 116 T CA 1.781 63.798 62.100 -0.137 0.000 1.130 116 T CB -0.467 68.345 68.868 -0.094 0.000 0.864 116 T HN 0.491 nan 8.240 nan 0.000 0.481 117 S N -1.152 114.405 115.700 -0.238 0.000 2.470 117 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 117 S C 1.178 175.464 174.600 -0.525 0.000 1.006 117 S CA 0.317 58.336 58.200 -0.302 0.000 0.934 117 S CB 0.095 63.183 63.200 -0.186 0.000 0.778 117 S HN 0.389 nan 8.310 nan 0.000 0.517 118 T N -0.078 114.166 114.554 -0.517 0.000 2.762 118 T HA 0.566 4.916 4.350 -0.000 0.000 0.272 118 T C -1.625 172.673 174.700 -0.669 0.000 0.982 118 T CA -0.949 60.769 62.100 -0.637 0.000 1.013 118 T CB 0.863 69.613 68.868 -0.197 0.000 1.309 118 T HN 0.443 nan 8.240 nan 0.000 0.572 119 W N -0.581 120.721 121.300 0.003 0.000 2.958 119 W HA 0.687 5.347 4.660 -0.000 0.000 0.339 119 W C 0.130 176.649 176.519 0.001 0.000 1.174 119 W CA -0.944 56.401 57.345 0.001 0.000 1.064 119 W CB 1.352 30.810 29.460 -0.002 0.000 1.471 119 W HN 1.013 nan 8.180 nan 0.000 0.599 120 G N 0.927 109.881 108.800 0.257 0.000 2.489 120 G HA2 0.414 4.374 3.960 -0.000 0.000 0.291 120 G HA3 0.414 4.374 3.960 -0.000 0.000 0.291 120 G C -3.139 171.819 174.900 0.097 0.000 1.487 120 G CA -0.939 44.244 45.100 0.138 0.000 0.795 120 G HN 0.028 nan 8.290 nan 0.000 0.513 121 P HA 0.489 nan 4.420 nan 0.000 0.271 121 P C -0.478 176.835 177.300 0.022 0.000 1.220 121 P CA 0.095 63.223 63.100 0.047 0.000 0.768 121 P CB 1.644 33.378 31.700 0.056 0.000 0.848 122 A N 3.628 126.445 122.820 -0.004 0.000 2.488 122 A HA 0.409 4.729 4.320 -0.000 0.000 0.295 122 A C -0.189 177.336 177.584 -0.097 0.000 1.045 122 A CA -0.908 51.102 52.037 -0.045 0.000 0.703 122 A CB 1.229 20.206 19.000 -0.038 0.000 1.271 122 A HN 0.436 nan 8.150 nan 0.000 0.400 123 R N 1.886 122.309 120.500 -0.129 0.000 2.473 123 R HA 0.083 4.423 4.340 -0.000 0.000 0.315 123 R C -0.139 176.031 176.300 -0.217 0.000 0.972 123 R CA 0.136 56.128 56.100 -0.180 0.000 1.047 123 R CB 0.286 30.405 30.300 -0.302 0.000 0.932 123 R HN 0.658 nan 8.270 nan 0.000 0.411 124 Q N 4.397 123.997 119.800 -0.333 0.000 2.373 124 Q HA 0.058 4.398 4.340 -0.000 0.000 0.255 124 Q C -1.202 174.665 176.000 -0.222 0.000 0.980 124 Q CA -1.499 54.085 55.803 -0.365 0.000 0.882 124 Q CB 0.565 28.861 28.738 -0.737 0.000 1.249 124 Q HN 0.485 nan 8.270 nan 0.000 0.438 125 P HA -0.128 nan 4.420 nan 0.000 0.215 125 P C -0.257 176.818 177.300 -0.375 0.000 1.157 125 P CA 1.528 64.347 63.100 -0.468 0.000 0.859 125 P CB 0.246 31.411 31.700 -0.892 0.000 0.786 126 Y N -0.208 120.188 120.300 0.161 0.000 2.596 126 Y HA 0.590 5.140 4.550 -0.000 0.000 0.326 126 Y C 1.629 177.686 175.900 0.262 0.000 1.167 126 Y CA -1.236 56.972 58.100 0.181 0.000 1.246 126 Y CB -0.474 38.079 38.460 0.155 0.000 1.347 126 Y HN -0.132 nan 8.280 nan 0.000 0.515 127 G N -0.142 108.896 108.800 0.398 0.000 2.559 127 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.235 127 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.235 127 G C 0.365 175.419 174.900 0.258 0.000 1.266 127 G CA -0.200 45.098 45.100 0.330 0.000 0.847 127 G HN 0.724 nan 8.290 nan 0.000 0.583 128 F N 1.183 121.109 119.950 -0.040 0.000 2.069 128 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 128 F C 1.577 177.124 175.800 -0.421 0.000 1.113 128 F CA 1.198 58.903 58.000 -0.492 0.000 1.214 128 F CB -0.038 38.481 39.000 -0.801 0.000 0.978 128 F HN 0.315 nan 8.300 nan 0.000 0.474 129 F N 0.607 120.696 119.950 0.232 0.000 2.954 129 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 129 F C 1.109 176.952 175.800 0.072 0.000 1.206 129 F CA -0.251 57.826 58.000 0.128 0.000 1.345 129 F CB -0.400 38.686 39.000 0.143 0.000 1.206 129 F HN -0.008 nan 8.300 nan 0.000 0.537 130 L N 0.304 121.614 121.223 0.145 0.000 2.131 130 L HA 0.058 4.398 4.340 -0.000 0.000 0.206 130 L C 1.535 178.454 176.870 0.082 0.000 1.087 130 L CA 1.651 56.563 54.840 0.120 0.000 0.767 130 L CB -0.217 41.909 42.059 0.111 0.000 0.917 130 L HN 0.148 nan 8.230 nan 0.000 0.441 131 E N 0.744 120.979 120.200 0.059 0.000 2.422 131 E HA 0.072 4.422 4.350 -0.000 0.000 0.267 131 E C -0.256 176.381 176.600 0.062 0.000 1.466 131 E CA 0.072 56.499 56.400 0.045 0.000 1.767 131 E CB -0.520 29.191 29.700 0.018 0.000 1.471 131 E HN 0.478 nan 8.360 nan 0.000 0.446 132 T N -2.850 111.755 114.554 0.085 0.000 2.867 132 T HA 0.271 4.621 4.350 -0.000 0.000 0.282 132 T C 0.797 175.521 174.700 0.041 0.000 1.000 132 T CA -0.818 61.331 62.100 0.081 0.000 1.042 132 T CB 2.056 70.992 68.868 0.113 0.000 0.973 132 T HN 0.029 nan 8.240 nan 0.000 0.465 133 E N 1.118 121.333 120.200 0.025 0.000 2.190 133 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 133 E C 0.044 176.630 176.600 -0.023 0.000 0.978 133 E CA 0.514 56.915 56.400 0.002 0.000 0.839 133 E CB 0.377 30.078 29.700 0.001 0.000 0.787 133 E HN 0.748 nan 8.360 nan 0.000 0.473 134 E N 0.669 120.857 120.200 -0.021 0.000 2.210 134 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 134 E C -0.881 175.689 176.600 -0.050 0.000 0.883 134 E CA -0.350 56.005 56.400 -0.075 0.000 0.761 134 E CB 2.382 32.041 29.700 -0.068 0.000 1.156 134 E HN -0.185 nan 8.360 nan 0.000 0.412 135 T N 2.139 116.609 114.554 -0.141 0.000 2.893 135 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 135 T C -1.480 173.094 174.700 -0.210 0.000 1.028 135 T CA -0.572 61.498 62.100 -0.051 0.000 0.995 135 T CB 0.479 69.329 68.868 -0.030 0.000 1.051 135 T HN 0.254 nan 8.240 nan 0.000 0.470 136 F N 2.082 121.932 119.950 -0.167 0.000 2.470 136 F HA 0.505 5.032 4.527 -0.000 0.000 0.329 136 F C 0.717 176.458 175.800 -0.098 0.000 1.072 136 F CA -0.973 56.925 58.000 -0.171 0.000 0.989 136 F CB 1.507 40.344 39.000 -0.270 0.000 1.193 136 F HN 0.493 nan 8.300 nan 0.000 0.481 137 Q N 4.804 124.657 119.800 0.088 0.000 2.300 137 Q HA 0.130 4.470 4.340 -0.000 0.000 0.280 137 Q C -2.394 173.661 176.000 0.093 0.000 1.033 137 Q CA -1.661 54.186 55.803 0.073 0.000 0.903 137 Q CB 0.756 29.538 28.738 0.074 0.000 1.195 137 Q HN 0.195 nan 8.270 nan 0.000 0.386 138 P HA 0.057 nan 4.420 nan 0.000 0.276 138 P C 0.245 177.599 177.300 0.090 0.000 1.253 138 P CA 0.885 64.023 63.100 0.063 0.000 0.766 138 P CB 0.880 32.611 31.700 0.053 0.000 0.845 139 G N 3.114 111.973 108.800 0.098 0.000 2.213 139 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 139 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 139 G C 0.320 175.376 174.900 0.260 0.000 0.991 139 G CA -0.079 45.123 45.100 0.169 0.000 0.629 139 G HN 0.742 nan 8.290 nan 0.000 0.517 140 R N 0.749 121.377 120.500 0.215 0.000 2.265 140 R HA 0.416 4.756 4.340 -0.000 0.000 0.314 140 R C 0.659 177.154 176.300 0.325 0.000 1.053 140 R CA -0.805 55.465 56.100 0.284 0.000 0.931 140 R CB 0.244 30.683 30.300 0.232 0.000 1.024 140 R HN 0.288 nan 8.270 nan 0.000 0.457 141 W N 6.799 128.257 121.300 0.263 0.000 2.170 141 W HA 0.137 4.797 4.660 -0.000 0.000 0.342 141 W C -1.608 175.058 176.519 0.245 0.000 1.294 141 W CA 0.110 57.590 57.345 0.224 0.000 1.246 141 W CB 0.434 30.054 29.460 0.266 0.000 1.156 141 W HN 0.585 nan 8.180 nan 0.000 0.572 142 F N 8.061 127.640 119.950 -0.617 0.000 2.881 142 F HA 0.278 4.805 4.527 -0.000 0.000 0.348 142 F C -1.585 173.851 175.800 -0.607 0.000 1.240 142 F CA -0.966 56.817 58.000 -0.362 0.000 1.130 142 F CB 0.825 39.719 39.000 -0.178 0.000 1.417 142 F HN 0.180 nan 8.300 nan 0.000 0.585 143 M N 7.081 126.232 119.600 -0.749 0.000 2.125 143 M HA 0.485 4.965 4.480 -0.000 0.000 0.321 143 M C -0.697 175.299 176.300 -0.506 0.000 0.983 143 M CA -0.402 54.625 55.300 -0.455 0.000 0.934 143 M CB 1.169 33.764 32.600 -0.008 0.000 1.542 143 M HN 0.645 nan 8.290 nan 0.000 0.424 144 R N 3.090 123.410 120.500 -0.301 0.000 2.594 144 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 144 R C -0.399 175.838 176.300 -0.105 0.000 1.074 144 R CA 0.104 56.114 56.100 -0.151 0.000 1.105 144 R CB 0.651 30.973 30.300 0.037 0.000 1.008 144 R HN 0.913 nan 8.270 nan 0.000 0.472 145 A N 2.884 125.663 122.820 -0.067 0.000 2.566 145 A HA 0.308 4.628 4.320 -0.000 0.000 0.245 145 A C 1.120 178.692 177.584 -0.020 0.000 1.056 145 A CA 0.846 52.861 52.037 -0.037 0.000 0.757 145 A CB -0.428 18.562 19.000 -0.016 0.000 0.979 145 A HN 1.325 nan 8.150 nan 0.000 0.508 146 A N 1.745 124.556 122.820 -0.015 0.000 3.384 146 A HA -0.177 4.143 4.320 -0.000 0.000 0.260 146 A C 0.415 177.993 177.584 -0.010 0.000 1.168 146 A CA 1.605 53.637 52.037 -0.008 0.000 1.253 146 A CB -2.313 16.684 19.000 -0.004 0.000 1.122 146 A HN 0.946 nan 8.150 nan 0.000 0.934 147 Q N -1.608 118.180 119.800 -0.020 0.000 2.235 147 Q HA 0.701 5.041 4.340 -0.000 0.000 0.256 147 Q C 1.088 177.076 176.000 -0.020 0.000 0.951 147 Q CA 0.070 55.856 55.803 -0.028 0.000 0.890 147 Q CB 1.692 30.401 28.738 -0.048 0.000 1.279 147 Q HN 0.879 nan 8.270 nan 0.000 0.444 148 A N 1.247 124.056 122.820 -0.018 0.000 2.095 148 A HA 0.445 4.765 4.320 -0.000 0.000 0.212 148 A C 0.440 178.007 177.584 -0.028 0.000 1.162 148 A CA 0.699 52.737 52.037 0.001 0.000 0.753 148 A CB 0.496 19.498 19.000 0.003 0.000 0.840 148 A HN 0.600 nan 8.150 nan 0.000 0.468 149 A N -0.468 122.306 122.820 -0.077 0.000 2.359 149 A HA 0.631 4.951 4.320 -0.000 0.000 0.303 149 A C -0.647 176.839 177.584 -0.164 0.000 1.066 149 A CA -0.257 51.699 52.037 -0.135 0.000 0.730 149 A CB 0.968 19.887 19.000 -0.135 0.000 1.211 149 A HN 0.046 nan 8.150 nan 0.000 0.439 150 T N 2.167 116.579 114.554 -0.237 0.000 2.963 150 T HA 0.590 4.940 4.350 -0.000 0.000 0.328 150 T C -0.029 174.499 174.700 -0.287 0.000 1.048 150 T CA 0.048 62.010 62.100 -0.230 0.000 1.033 150 T CB 1.113 69.859 68.868 -0.204 0.000 1.010 150 T HN 1.170 nan 8.240 nan 0.000 0.469 151 A N 2.866 125.525 122.820 -0.268 0.000 2.327 151 A HA 0.900 5.220 4.320 -0.000 0.000 0.283 151 A C -0.282 177.065 177.584 -0.396 0.000 1.127 151 A CA -0.556 51.293 52.037 -0.314 0.000 0.810 151 A CB 0.886 19.720 19.000 -0.275 0.000 1.066 151 A HN 0.696 nan 8.150 nan 0.000 0.492 152 V N 2.327 121.958 119.914 -0.470 0.000 3.147 152 V HA 0.475 4.595 4.120 -0.000 0.000 0.299 152 V C -0.361 175.423 176.094 -0.517 0.000 1.302 152 V CA -0.254 61.680 62.300 -0.610 0.000 1.015 152 V CB 2.382 33.576 31.823 -1.048 0.000 1.086 152 V HN 1.498 nan 8.190 nan 0.000 0.437 153 V N 2.520 122.147 119.914 -0.477 0.000 2.811 153 V HA 0.409 4.529 4.120 -0.000 0.000 0.302 153 V C 0.749 176.757 176.094 -0.143 0.000 1.063 153 V CA 0.739 62.801 62.300 -0.397 0.000 1.088 153 V CB 0.719 32.299 31.823 -0.406 0.000 0.982 153 V HN 1.486 nan 8.190 nan 0.000 0.485 154 C N 1.361 120.598 119.300 -0.106 0.000 4.015 154 C HA 0.857 5.317 4.460 -0.000 0.000 0.323 154 C C 0.785 175.785 174.990 0.018 0.000 1.724 154 C CA 0.080 59.093 59.018 -0.008 0.000 1.828 154 C CB -0.922 26.811 27.740 -0.013 0.000 3.083 154 C HN 1.622 nan 8.230 nan 0.000 0.640 155 G N 0.648 109.461 108.800 0.023 0.000 2.489 155 G HA2 0.567 4.527 3.960 -0.000 0.000 0.305 155 G HA3 0.567 4.527 3.960 -0.000 0.000 0.305 155 G C -2.878 172.109 174.900 0.144 0.000 1.311 155 G CA -0.410 44.737 45.100 0.078 0.000 0.813 155 G HN -0.196 nan 8.290 nan 0.000 0.480 156 P HA 0.137 nan 4.420 nan 0.000 0.227 156 P C 0.311 177.831 177.300 0.367 0.000 1.161 156 P CA 1.381 64.630 63.100 0.248 0.000 0.788 156 P CB 0.323 32.136 31.700 0.188 0.000 0.822 157 D N -3.089 117.516 120.400 0.341 0.000 2.636 157 D HA 0.228 4.868 4.640 -0.000 0.000 0.270 157 D C -0.151 176.361 176.300 0.354 0.000 1.430 157 D CA -0.114 54.119 54.000 0.389 0.000 0.796 157 D CB -0.151 40.821 40.800 0.286 0.000 1.117 157 D HN 0.009 nan 8.370 nan 0.000 0.480 158 M N 1.751 121.523 119.600 0.286 0.000 2.393 158 M HA 0.558 5.038 4.480 -0.000 0.000 0.299 158 M C -1.633 174.639 176.300 -0.046 0.000 1.103 158 M CA -0.843 54.537 55.300 0.134 0.000 0.910 158 M CB 2.427 35.081 32.600 0.089 0.000 1.659 158 M HN 0.197 nan 8.290 nan 0.000 0.445 159 I N 1.093 121.617 120.570 -0.076 0.000 2.969 159 I HA 0.790 4.960 4.170 -0.000 0.000 0.307 159 I C -1.654 174.373 176.117 -0.149 0.000 1.149 159 I CA -0.707 60.450 61.300 -0.239 0.000 1.008 159 I CB 2.514 40.279 38.000 -0.392 0.000 1.232 159 I HN 0.761 nan 8.210 nan 0.000 0.435 160 Q N 3.251 122.926 119.800 -0.209 0.000 2.289 160 Q HA 0.724 5.064 4.340 -0.000 0.000 0.270 160 Q C -1.906 173.941 176.000 -0.255 0.000 1.038 160 Q CA -0.999 54.695 55.803 -0.183 0.000 0.812 160 Q CB 2.747 31.394 28.738 -0.152 0.000 1.300 160 Q HN 0.582 nan 8.270 nan 0.000 0.427 161 V N 1.652 121.421 119.914 -0.242 0.000 2.435 161 V HA 0.436 4.556 4.120 -0.000 0.000 0.290 161 V C -0.250 175.633 176.094 -0.353 0.000 1.030 161 V CA -0.619 61.510 62.300 -0.286 0.000 0.881 161 V CB 1.655 33.333 31.823 -0.241 0.000 0.983 161 V HN 0.858 nan 8.190 nan 0.000 0.445 162 S N 6.252 121.667 115.700 -0.475 0.000 2.422 162 S HA 0.615 5.085 4.470 -0.000 0.000 0.308 162 S C -0.581 173.698 174.600 -0.536 0.000 1.097 162 S CA -0.526 57.213 58.200 -0.769 0.000 1.099 162 S CB 0.529 62.935 63.200 -1.323 0.000 0.976 162 S HN 0.398 nan 8.310 nan 0.000 0.471 163 L N 3.738 124.814 121.223 -0.245 0.000 2.329 163 L HA 0.509 4.849 4.340 -0.000 0.000 0.279 163 L C 0.182 177.231 176.870 0.299 0.000 1.014 163 L CA -0.579 54.255 54.840 -0.010 0.000 0.814 163 L CB 1.357 43.395 42.059 -0.034 0.000 1.257 163 L HN 0.507 nan 8.230 nan 0.000 0.424 164 N N 1.110 119.960 118.700 0.249 0.000 2.513 164 N HA 0.343 5.083 4.740 -0.000 0.000 0.274 164 N C 0.082 175.671 175.510 0.133 0.000 1.189 164 N CA -0.345 52.860 53.050 0.258 0.000 0.975 164 N CB 1.539 40.130 38.487 0.173 0.000 1.157 164 N HN 0.704 nan 8.380 nan 0.000 0.465 165 A N 0.292 123.169 122.820 0.094 0.000 2.567 165 A HA 0.362 4.682 4.320 -0.000 0.000 0.240 165 A C 1.375 178.983 177.584 0.040 0.000 1.053 165 A CA 0.771 52.843 52.037 0.057 0.000 0.755 165 A CB -0.849 18.171 19.000 0.033 0.000 0.978 165 A HN 0.954 nan 8.150 nan 0.000 0.507 166 G N 0.745 109.563 108.800 0.030 0.000 2.168 166 G HA2 0.109 4.069 3.960 -0.000 0.000 0.263 166 G HA3 0.109 4.069 3.960 -0.000 0.000 0.263 166 G C 0.591 175.497 174.900 0.010 0.000 0.977 166 G CA 0.786 45.896 45.100 0.017 0.000 0.659 166 G HN 2.197 nan 8.290 nan 0.000 0.533 167 A N -0.274 122.552 122.820 0.010 0.000 2.271 167 A HA 0.972 5.292 4.320 -0.000 0.000 0.288 167 A C 0.573 178.126 177.584 -0.051 0.000 1.094 167 A CA 0.559 52.591 52.037 -0.008 0.000 0.828 167 A CB 0.635 19.637 19.000 0.003 0.000 1.091 167 A HN 1.615 nan 8.150 nan 0.000 0.493 168 R N -0.630 119.829 120.500 -0.069 0.000 2.716 168 R HA 0.771 5.111 4.340 -0.000 0.000 0.271 168 R C -0.383 175.833 176.300 -0.141 0.000 1.028 168 R CA -0.317 55.687 56.100 -0.160 0.000 0.883 168 R CB 1.137 31.388 30.300 -0.081 0.000 1.250 168 R HN 1.866 nan 8.270 nan 0.000 0.465 169 G N 0.646 109.253 108.800 -0.322 0.000 2.355 169 G HA2 0.273 4.233 3.960 -0.000 0.000 0.296 169 G HA3 0.273 4.233 3.960 -0.000 0.000 0.296 169 G C -1.991 172.858 174.900 -0.086 0.000 1.507 169 G CA -0.879 44.167 45.100 -0.090 0.000 0.823 169 G HN 0.502 nan 8.290 nan 0.000 0.569 170 D N -0.390 120.065 120.400 0.091 0.000 2.302 170 D HA 0.472 5.112 4.640 -0.000 0.000 0.248 170 D C 1.010 177.297 176.300 -0.021 0.000 1.094 170 D CA -0.229 53.813 54.000 0.070 0.000 0.897 170 D CB 2.188 43.036 40.800 0.080 0.000 1.200 170 D HN 0.133 nan 8.370 nan 0.000 0.429 171 V N 1.645 121.535 119.914 -0.041 0.000 3.359 171 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 171 V C 2.304 178.451 176.094 0.089 0.000 1.247 171 V CA 0.045 62.324 62.300 -0.034 0.000 1.145 171 V CB -0.166 31.605 31.823 -0.087 0.000 0.906 171 V HN 0.532 nan 8.190 nan 0.000 0.464 172 Q N 2.299 122.183 119.800 0.141 0.000 2.188 172 Q HA -0.396 3.944 4.340 -0.000 0.000 0.217 172 Q C 1.865 178.145 176.000 0.468 0.000 1.018 172 Q CA 2.767 58.814 55.803 0.406 0.000 0.910 172 Q CB -1.199 27.769 28.738 0.383 0.000 0.979 172 Q HN 0.797 nan 8.270 nan 0.000 0.413 173 Q N 0.565 120.509 119.800 0.241 0.000 2.449 173 Q HA -0.145 4.195 4.340 -0.000 0.000 0.214 173 Q C 1.896 177.985 176.000 0.148 0.000 0.986 173 Q CA 1.523 57.432 55.803 0.176 0.000 0.893 173 Q CB -0.616 28.179 28.738 0.095 0.000 0.940 173 Q HN 0.567 nan 8.270 nan 0.000 0.477 174 I N -0.048 120.579 120.570 0.095 0.000 2.406 174 I HA -0.092 4.078 4.170 -0.000 0.000 0.249 174 I C 1.498 177.680 176.117 0.109 0.000 1.122 174 I CA 0.832 62.098 61.300 -0.057 0.000 1.431 174 I CB -0.143 37.647 38.000 -0.350 0.000 1.087 174 I HN -0.018 nan 8.210 nan 0.000 0.424 175 F N 0.501 120.650 119.950 0.333 0.000 2.187 175 F HA 0.065 4.592 4.527 -0.000 0.000 0.295 175 F C 1.553 177.539 175.800 0.309 0.000 1.091 175 F CA 0.359 58.582 58.000 0.372 0.000 1.308 175 F CB -0.996 38.118 39.000 0.191 0.000 1.030 175 F HN -0.027 nan 8.300 nan 0.000 0.487 176 Q N 0.067 120.115 119.800 0.413 0.000 2.428 176 Q HA 0.282 4.622 4.340 -0.000 0.000 0.276 176 Q C 1.359 177.466 176.000 0.179 0.000 1.059 176 Q CA 0.901 56.846 55.803 0.238 0.000 0.923 176 Q CB 0.183 29.027 28.738 0.176 0.000 1.283 176 Q HN 0.528 nan 8.270 nan 0.000 0.447 177 G N 1.218 110.085 108.800 0.113 0.000 2.241 177 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.244 177 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.244 177 G C -0.175 174.754 174.900 0.048 0.000 0.998 177 G CA -0.036 45.106 45.100 0.071 0.000 0.621 177 G HN 0.539 nan 8.290 nan 0.000 0.519 178 R N 0.884 121.421 120.500 0.061 0.000 2.346 178 R HA 0.620 4.960 4.340 -0.000 0.000 0.311 178 R C 0.874 177.095 176.300 -0.131 0.000 0.983 178 R CA -0.100 55.969 56.100 -0.052 0.000 0.880 178 R CB 0.704 30.942 30.300 -0.105 0.000 1.100 178 R HN 0.494 nan 8.270 nan 0.000 0.453 179 N N 0.858 119.472 118.700 -0.142 0.000 1.191 179 N HA -0.332 4.408 4.740 -0.000 0.000 0.120 179 N C -0.545 174.940 175.510 -0.041 0.000 0.826 179 N CA 1.731 54.718 53.050 -0.106 0.000 0.876 179 N CB -0.521 37.873 38.487 -0.156 0.000 1.050 179 N HN 0.812 nan 8.380 nan 0.000 0.603 180 D N -0.122 120.279 120.400 0.002 0.000 3.449 180 D HA 0.254 4.894 4.640 -0.000 0.000 0.262 180 D C -2.886 173.443 176.300 0.047 0.000 1.343 180 D CA -0.861 53.141 54.000 0.004 0.000 0.787 180 D CB 0.327 41.106 40.800 -0.035 0.000 1.412 180 D HN 0.315 nan 8.370 nan 0.000 0.652 181 P HA 0.195 nan 4.420 nan 0.000 0.272 181 P C 0.463 177.782 177.300 0.030 0.000 1.240 181 P CA -0.362 62.848 63.100 0.183 0.000 0.791 181 P CB 1.317 33.209 31.700 0.320 0.000 0.978 182 M N -0.613 119.005 119.600 0.031 0.000 2.638 182 M HA 0.236 4.716 4.480 -0.000 0.000 0.256 182 M C 0.404 176.651 176.300 -0.089 0.000 1.282 182 M CA 0.670 55.949 55.300 -0.034 0.000 1.155 182 M CB 0.338 32.941 32.600 0.006 0.000 1.345 182 M HN 0.265 nan 8.290 nan 0.000 0.523 183 M N 0.854 120.424 119.600 -0.049 0.000 2.322 183 M HA 0.511 4.991 4.480 -0.000 0.000 0.285 183 M C -2.141 174.061 176.300 -0.163 0.000 1.119 183 M CA -0.280 54.907 55.300 -0.188 0.000 0.953 183 M CB 2.094 34.625 32.600 -0.115 0.000 1.701 183 M HN 0.030 nan 8.290 nan 0.000 0.479 184 I N 4.681 125.014 120.570 -0.394 0.000 2.406 184 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 184 I C -1.375 174.471 176.117 -0.452 0.000 0.999 184 I CA -0.793 60.346 61.300 -0.270 0.000 1.124 184 I CB 1.456 39.235 38.000 -0.368 0.000 1.289 184 I HN 0.576 nan 8.210 nan 0.000 0.441 185 Y N 6.412 126.557 120.300 -0.259 0.000 2.404 185 Y HA 0.437 4.987 4.550 -0.000 0.000 0.344 185 Y C -0.160 175.626 175.900 -0.191 0.000 0.970 185 Y CA -0.639 57.265 58.100 -0.326 0.000 1.180 185 Y CB 0.671 38.653 38.460 -0.796 0.000 1.138 185 Y HN 0.312 nan 8.280 nan 0.000 0.510 186 L N 3.144 124.358 121.223 -0.016 0.000 2.335 186 L HA 0.728 5.068 4.340 -0.000 0.000 0.268 186 L C -0.541 176.381 176.870 0.085 0.000 1.016 186 L CA -1.343 53.519 54.840 0.036 0.000 0.805 186 L CB 1.813 43.872 42.059 0.000 0.000 1.311 186 L HN 0.348 nan 8.230 nan 0.000 0.456 187 V N 2.139 122.128 119.914 0.125 0.000 2.766 187 V HA 0.389 4.509 4.120 -0.000 0.000 0.286 187 V C -1.747 174.445 176.094 0.164 0.000 1.237 187 V CA -0.590 61.781 62.300 0.119 0.000 0.934 187 V CB 1.266 33.127 31.823 0.064 0.000 1.068 187 V HN 0.768 nan 8.190 nan 0.000 0.451 188 W N 6.545 127.837 121.300 -0.013 0.000 2.512 188 W HA 0.862 5.522 4.660 -0.000 0.000 0.335 188 W C -0.968 175.544 176.519 -0.012 0.000 1.088 188 W CA -0.922 56.412 57.345 -0.019 0.000 1.236 188 W CB 1.165 30.597 29.460 -0.046 0.000 1.307 188 W HN 0.576 nan 8.180 nan 0.000 0.567 189 R N 1.801 122.320 120.500 0.032 0.000 2.867 189 R HA 0.530 4.870 4.340 -0.000 0.000 0.268 189 R C -0.561 175.757 176.300 0.029 0.000 1.014 189 R CA -1.387 54.633 56.100 -0.133 0.000 0.946 189 R CB 2.699 32.957 30.300 -0.070 0.000 1.208 189 R HN 0.437 nan 8.270 nan 0.000 0.477 190 R N 1.189 121.673 120.500 -0.027 0.000 2.254 190 R HA 0.336 4.676 4.340 -0.000 0.000 0.318 190 R C -0.104 176.228 176.300 0.054 0.000 1.031 190 R CA -0.360 55.776 56.100 0.061 0.000 0.905 190 R CB 0.803 31.134 30.300 0.052 0.000 1.050 190 R HN 0.455 nan 8.270 nan 0.000 0.456 191 I N 3.714 124.315 120.570 0.052 0.000 2.270 191 I HA -0.041 4.129 4.170 -0.000 0.000 0.300 191 I C 1.258 177.501 176.117 0.210 0.000 1.186 191 I CA 0.087 61.437 61.300 0.084 0.000 1.431 191 I CB 0.419 38.418 38.000 -0.003 0.000 1.485 191 I HN 0.628 nan 8.210 nan 0.000 0.650 192 E N 3.862 124.163 120.200 0.168 0.000 2.171 192 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 192 E C 0.599 177.326 176.600 0.211 0.000 0.997 192 E CA 1.315 57.819 56.400 0.173 0.000 0.810 192 E CB 0.118 29.874 29.700 0.093 0.000 0.738 192 E HN 0.595 nan 8.360 nan 0.000 0.467 193 N N -0.458 118.377 118.700 0.225 0.000 2.581 193 N HA 0.128 4.868 4.740 -0.000 0.000 0.279 193 N C -1.435 174.207 175.510 0.220 0.000 1.124 193 N CA -0.353 52.782 53.050 0.142 0.000 0.833 193 N CB 0.319 38.843 38.487 0.063 0.000 1.338 193 N HN -0.061 nan 8.380 nan 0.000 0.533 194 F N 1.422 121.414 119.950 0.070 0.000 2.618 194 F HA 0.875 5.402 4.527 -0.000 0.000 0.332 194 F C -0.196 175.659 175.800 0.092 0.000 1.061 194 F CA -1.303 56.752 58.000 0.092 0.000 0.974 194 F CB 0.456 39.534 39.000 0.131 0.000 1.310 194 F HN 0.207 nan 8.300 nan 0.000 0.491 195 A N 2.965 125.927 122.820 0.237 0.000 2.354 195 A HA 0.635 4.955 4.320 -0.000 0.000 0.269 195 A C -0.147 177.559 177.584 0.203 0.000 1.109 195 A CA -0.621 51.493 52.037 0.128 0.000 0.800 195 A CB 0.304 19.394 19.000 0.151 0.000 1.045 195 A HN 0.746 nan 8.150 nan 0.000 0.489 196 M N 1.315 120.948 119.600 0.053 0.000 2.494 196 M HA 0.379 4.859 4.480 -0.000 0.000 0.300 196 M C 1.638 177.999 176.300 0.103 0.000 1.189 196 M CA -0.225 55.102 55.300 0.044 0.000 0.982 196 M CB 1.114 33.635 32.600 -0.132 0.000 1.534 196 M HN 0.890 nan 8.290 nan 0.000 0.488 197 A N 0.834 123.711 122.820 0.095 0.000 1.971 197 A HA -0.206 4.114 4.320 -0.000 0.000 0.222 197 A C 1.696 179.323 177.584 0.072 0.000 1.182 197 A CA 1.771 53.885 52.037 0.128 0.000 0.649 197 A CB -0.371 18.682 19.000 0.087 0.000 0.818 197 A HN 0.799 nan 8.150 nan 0.000 0.458 198 Q N -2.724 117.088 119.800 0.019 0.000 2.354 198 Q HA 0.194 4.534 4.340 -0.000 0.000 0.203 198 Q C 1.429 177.436 176.000 0.013 0.000 0.933 198 Q CA 1.127 56.936 55.803 0.009 0.000 0.901 198 Q CB 0.508 29.235 28.738 -0.019 0.000 1.007 198 Q HN 1.036 nan 8.270 nan 0.000 0.495 199 G N 1.466 110.274 108.800 0.013 0.000 2.227 199 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.168 199 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.168 199 G C -0.144 174.747 174.900 -0.015 0.000 1.006 199 G CA -0.098 45.010 45.100 0.013 0.000 0.684 199 G HN 0.495 nan 8.290 nan 0.000 0.489 200 N N 0.673 119.346 118.700 -0.044 0.000 2.529 200 N HA 0.546 5.286 4.740 -0.000 0.000 0.278 200 N C 0.181 175.620 175.510 -0.119 0.000 1.146 200 N CA 0.027 53.033 53.050 -0.074 0.000 0.980 200 N CB 1.335 39.770 38.487 -0.087 0.000 1.124 200 N HN 0.048 nan 8.380 nan 0.000 0.458 201 S N 0.608 116.237 115.700 -0.119 0.000 2.533 201 S HA 0.043 4.513 4.470 -0.000 0.000 0.282 201 S C -0.116 174.322 174.600 -0.269 0.000 1.304 201 S CA -0.384 57.715 58.200 -0.168 0.000 1.063 201 S CB 0.640 63.778 63.200 -0.104 0.000 0.881 201 S HN 0.695 nan 8.310 nan 0.000 0.493 202 Q N 1.549 121.057 119.800 -0.487 0.000 2.372 202 Q HA 0.488 4.828 4.340 -0.000 0.000 0.273 202 Q C -1.373 174.286 176.000 -0.567 0.000 1.078 202 Q CA -0.609 54.822 55.803 -0.620 0.000 0.806 202 Q CB 1.406 29.562 28.738 -0.970 0.000 1.332 202 Q HN 0.538 nan 8.270 nan 0.000 0.435 203 Q N 0.454 120.123 119.800 -0.217 0.000 2.235 203 Q HA 0.563 4.903 4.340 -0.000 0.000 0.256 203 Q C -1.099 175.034 176.000 0.222 0.000 0.951 203 Q CA -0.166 55.646 55.803 0.016 0.000 0.890 203 Q CB 2.075 30.821 28.738 0.014 0.000 1.279 203 Q HN 0.626 nan 8.270 nan 0.000 0.444 204 T N 3.644 118.392 114.554 0.324 0.000 2.781 204 T HA 0.247 4.597 4.350 -0.000 0.000 0.305 204 T C -0.615 174.185 174.700 0.166 0.000 1.001 204 T CA -0.748 61.535 62.100 0.305 0.000 0.950 204 T CB 0.516 69.547 68.868 0.272 0.000 0.955 204 T HN 0.314 nan 8.240 nan 0.000 0.471 205 Q N 1.932 121.811 119.800 0.130 0.000 2.364 205 Q HA 0.325 4.665 4.340 -0.000 0.000 0.267 205 Q C 0.215 176.266 176.000 0.084 0.000 0.999 205 Q CA -0.218 55.638 55.803 0.088 0.000 0.886 205 Q CB 0.542 29.321 28.738 0.068 0.000 1.243 205 Q HN 0.803 nan 8.270 nan 0.000 0.415 206 A N 1.273 124.132 122.820 0.066 0.000 2.484 206 A HA 0.473 4.793 4.320 -0.000 0.000 0.268 206 A C 1.040 178.662 177.584 0.064 0.000 1.114 206 A CA 0.758 52.832 52.037 0.062 0.000 0.780 206 A CB -0.358 18.667 19.000 0.041 0.000 1.061 206 A HN 0.859 nan 8.150 nan 0.000 0.505 207 G N 1.619 110.469 108.800 0.084 0.000 3.859 207 G HA2 0.064 4.024 3.960 -0.000 0.000 0.220 207 G HA3 0.064 4.024 3.960 -0.000 0.000 0.220 207 G C 0.055 175.007 174.900 0.086 0.000 0.892 207 G CA 0.131 45.276 45.100 0.075 0.000 0.858 207 G HN 0.912 nan 8.290 nan 0.000 0.625 208 V N 2.654 122.634 119.914 0.111 0.000 2.843 208 V HA 0.539 4.659 4.120 -0.000 0.000 0.305 208 V C 0.890 177.055 176.094 0.119 0.000 1.065 208 V CA 0.996 63.349 62.300 0.089 0.000 1.116 208 V CB 1.091 32.979 31.823 0.108 0.000 0.968 208 V HN 0.709 nan 8.190 nan 0.000 0.487 209 T N 1.114 115.640 114.554 -0.046 0.000 2.906 209 T HA 0.766 5.116 4.350 -0.000 0.000 0.295 209 T C -1.033 173.387 174.700 -0.467 0.000 1.061 209 T CA -0.761 61.254 62.100 -0.142 0.000 1.000 209 T CB 1.857 70.698 68.868 -0.046 0.000 1.103 209 T HN 0.339 nan 8.240 nan 0.000 0.486 210 V N 2.636 122.117 119.914 -0.721 0.000 2.482 210 V HA 0.701 4.821 4.120 -0.000 0.000 0.295 210 V C -0.162 175.657 176.094 -0.458 0.000 1.026 210 V CA -0.787 61.020 62.300 -0.821 0.000 0.856 210 V CB 1.596 32.475 31.823 -1.572 0.000 1.001 210 V HN 1.231 nan 8.190 nan 0.000 0.424 211 S N 4.016 119.544 115.700 -0.287 0.000 2.502 211 S HA 0.828 5.298 4.470 -0.000 0.000 0.304 211 S C -0.837 173.657 174.600 -0.177 0.000 1.097 211 S CA -0.762 57.340 58.200 -0.162 0.000 1.045 211 S CB 1.879 65.037 63.200 -0.069 0.000 1.019 211 S HN 0.400 nan 8.310 nan 0.000 0.481 212 V N 2.554 122.367 119.914 -0.168 0.000 2.427 212 V HA 0.679 4.799 4.120 -0.000 0.000 0.286 212 V C 1.423 177.465 176.094 -0.088 0.000 1.034 212 V CA 0.061 62.245 62.300 -0.194 0.000 0.893 212 V CB 0.376 32.069 31.823 -0.217 0.000 0.982 212 V HN 1.508 nan 8.190 nan 0.000 0.452 213 G N 3.291 112.053 108.800 -0.063 0.000 2.244 213 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.274 213 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.274 213 G C 1.161 176.039 174.900 -0.037 0.000 1.002 213 G CA 1.143 46.231 45.100 -0.021 0.000 0.740 213 G HN 2.200 nan 8.290 nan 0.000 0.516 214 G N -2.851 105.916 108.800 -0.056 0.000 2.352 214 G HA2 0.055 4.015 3.960 -0.000 0.000 0.204 214 G HA3 0.055 4.015 3.960 -0.000 0.000 0.204 214 G C 0.680 175.558 174.900 -0.038 0.000 1.004 214 G CA 0.776 45.844 45.100 -0.053 0.000 0.648 214 G HN 1.862 nan 8.290 nan 0.000 0.491 215 V N 1.865 121.760 119.914 -0.032 0.000 2.546 215 V HA 0.599 4.719 4.120 -0.000 0.000 0.284 215 V C -0.021 176.057 176.094 -0.025 0.000 1.050 215 V CA -0.039 62.249 62.300 -0.019 0.000 0.981 215 V CB 1.490 33.309 31.823 -0.007 0.000 0.990 215 V HN 0.346 nan 8.190 nan 0.000 0.474 216 D N 5.778 126.173 120.400 -0.008 0.000 2.308 216 D HA 0.377 5.017 4.640 -0.000 0.000 0.251 216 D C -0.309 176.015 176.300 0.039 0.000 1.127 216 D CA -0.163 53.837 54.000 -0.000 0.000 0.876 216 D CB 0.638 41.449 40.800 0.019 0.000 1.176 216 D HN 0.395 nan 8.370 nan 0.000 0.446 217 M N 2.528 122.167 119.600 0.064 0.000 2.456 217 M HA 0.393 4.873 4.480 -0.000 0.000 0.324 217 M C 0.229 176.771 176.300 0.403 0.000 1.124 217 M CA -0.592 54.814 55.300 0.176 0.000 0.959 217 M CB 1.729 34.419 32.600 0.150 0.000 1.692 217 M HN 0.312 nan 8.290 nan 0.000 0.444 218 R N 0.683 121.355 120.500 0.286 0.000 2.679 218 R HA 0.609 4.949 4.340 -0.000 0.000 0.269 218 R C 0.007 176.306 176.300 -0.001 0.000 1.076 218 R CA -0.314 55.895 56.100 0.182 0.000 1.160 218 R CB 0.574 30.900 30.300 0.044 0.000 1.054 218 R HN 0.824 nan 8.270 nan 0.000 0.507 219 A N 0.394 122.883 122.820 -0.552 0.000 2.310 219 A HA 0.501 4.821 4.320 -0.000 0.000 0.299 219 A C 0.949 178.179 177.584 -0.591 0.000 1.147 219 A CA 0.270 51.511 52.037 -1.327 0.000 0.818 219 A CB 0.695 18.701 19.000 -1.657 0.000 1.096 219 A HN 0.856 nan 8.150 nan 0.000 0.495 220 G N 0.621 109.137 108.800 -0.472 0.000 2.159 220 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.256 220 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.256 220 G C 0.194 175.027 174.900 -0.112 0.000 0.977 220 G CA 0.681 45.649 45.100 -0.221 0.000 0.652 220 G HN 0.864 nan 8.290 nan 0.000 0.531 221 R N -0.495 119.951 120.500 -0.089 0.000 2.711 221 R HA 0.747 5.087 4.340 -0.000 0.000 0.284 221 R C 0.715 177.040 176.300 0.042 0.000 0.968 221 R CA -0.861 55.235 56.100 -0.006 0.000 0.924 221 R CB 0.835 31.141 30.300 0.010 0.000 1.162 221 R HN 0.240 nan 8.270 nan 0.000 0.465 222 I N 3.516 124.125 120.570 0.064 0.000 2.634 222 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 222 I C -0.082 176.094 176.117 0.099 0.000 1.124 222 I CA 0.256 61.611 61.300 0.092 0.000 1.417 222 I CB 0.459 38.529 38.000 0.117 0.000 1.396 222 I HN 0.376 nan 8.210 nan 0.000 0.571 223 I N 5.099 125.720 120.570 0.085 0.000 2.478 223 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 223 I C 0.076 176.160 176.117 -0.055 0.000 1.042 223 I CA -0.329 60.996 61.300 0.042 0.000 1.067 223 I CB 1.920 39.944 38.000 0.039 0.000 1.233 223 I HN 0.585 nan 8.210 nan 0.000 0.431 224 A N 6.148 128.920 122.820 -0.080 0.000 2.671 224 A HA 0.232 4.552 4.320 -0.000 0.000 0.306 224 A C -1.077 176.412 177.584 -0.158 0.000 1.473 224 A CA -0.152 51.709 52.037 -0.293 0.000 1.155 224 A CB -0.414 18.507 19.000 -0.132 0.000 1.123 224 A HN 0.683 nan 8.150 nan 0.000 0.545 225 W N 4.354 125.396 121.300 -0.430 0.000 2.361 225 W HA 0.346 5.006 4.660 -0.000 0.000 0.309 225 W C 0.380 176.709 176.519 -0.316 0.000 1.122 225 W CA -1.357 55.790 57.345 -0.331 0.000 1.208 225 W CB 0.997 30.242 29.460 -0.359 0.000 1.246 225 W HN 0.765 nan 8.180 nan 0.000 0.490 226 D N 3.312 123.423 120.400 -0.481 0.000 2.371 226 D HA 0.003 4.643 4.640 -0.000 0.000 0.234 226 D C 1.550 177.302 176.300 -0.913 0.000 1.049 226 D CA 0.710 54.382 54.000 -0.547 0.000 0.907 226 D CB -0.304 40.343 40.800 -0.256 0.000 0.891 226 D HN 0.812 nan 8.370 nan 0.000 0.531 227 G N 0.860 108.440 108.800 -2.034 0.000 2.205 227 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.269 227 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.269 227 G C 1.131 175.447 174.900 -0.974 0.000 0.977 227 G CA 0.730 44.592 45.100 -2.063 0.000 0.652 227 G HN 0.413 nan 8.290 nan 0.000 0.539 228 Q N -0.784 118.712 119.800 -0.507 0.000 2.422 228 Q HA 0.495 4.835 4.340 -0.000 0.000 0.255 228 Q C 1.781 177.885 176.000 0.174 0.000 0.864 228 Q CA 0.765 56.523 55.803 -0.076 0.000 0.968 228 Q CB -0.104 28.577 28.738 -0.095 0.000 1.130 228 Q HN 0.955 nan 8.270 nan 0.000 0.556 229 A N 1.557 124.570 122.820 0.321 0.000 2.455 229 A HA 0.385 4.705 4.320 -0.000 0.000 0.244 229 A C 0.226 177.981 177.584 0.286 0.000 1.099 229 A CA 0.492 52.725 52.037 0.326 0.000 0.786 229 A CB -0.035 19.162 19.000 0.329 0.000 1.051 229 A HN 0.257 nan 8.150 nan 0.000 0.508 230 A N 0.329 123.202 122.820 0.089 0.000 2.544 230 A HA 0.446 4.766 4.320 -0.000 0.000 0.301 230 A C -0.049 177.464 177.584 -0.119 0.000 1.368 230 A CA -0.248 51.788 52.037 -0.001 0.000 1.045 230 A CB -0.770 18.208 19.000 -0.038 0.000 1.129 230 A HN 1.122 nan 8.150 nan 0.000 0.540 231 L N 3.956 125.048 121.223 -0.219 0.000 2.385 231 L HA 0.322 4.662 4.340 -0.000 0.000 0.285 231 L C -0.254 176.502 176.870 -0.189 0.000 1.125 231 L CA 0.260 54.847 54.840 -0.422 0.000 0.890 231 L CB -0.532 41.109 42.059 -0.696 0.000 1.251 231 L HN 0.676 nan 8.230 nan 0.000 0.445 232 H N 2.996 121.895 119.070 -0.285 0.000 2.505 232 H HA 0.686 5.242 4.556 -0.000 0.000 0.338 232 H C -1.212 173.953 175.328 -0.270 0.000 1.057 232 H CA -0.609 55.304 56.048 -0.225 0.000 1.202 232 H CB 1.440 31.103 29.762 -0.166 0.000 1.466 232 H HN 0.329 nan 8.280 nan 0.000 0.499 233 V N 6.146 125.671 119.914 -0.648 0.000 2.495 233 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 233 V C 0.013 175.758 176.094 -0.581 0.000 1.031 233 V CA -0.841 61.129 62.300 -0.549 0.000 0.871 233 V CB 1.540 33.114 31.823 -0.416 0.000 0.988 233 V HN 0.748 nan 8.190 nan 0.000 0.432 234 R N 2.638 122.909 120.500 -0.382 0.000 2.670 234 R HA 0.499 4.839 4.340 -0.000 0.000 0.289 234 R C -0.711 175.507 176.300 -0.137 0.000 0.965 234 R CA -0.748 55.210 56.100 -0.237 0.000 0.899 234 R CB 1.731 31.954 30.300 -0.128 0.000 1.173 234 R HN 0.671 nan 8.270 nan 0.000 0.456 235 N N 3.208 121.858 118.700 -0.083 0.000 2.851 235 N HA 0.193 4.933 4.740 -0.000 0.000 0.248 235 N C -2.111 173.398 175.510 -0.003 0.000 1.221 235 N CA -2.190 50.843 53.050 -0.028 0.000 0.847 235 N CB 1.145 39.626 38.487 -0.009 0.000 1.150 235 N HN 0.326 nan 8.380 nan 0.000 0.507 236 P HA 0.011 nan 4.420 nan 0.000 0.241 236 P C 0.379 177.692 177.300 0.022 0.000 1.191 236 P CA 0.268 63.375 63.100 0.013 0.000 0.771 236 P CB 0.322 32.030 31.700 0.014 0.000 0.929 237 T N 1.341 115.913 114.554 0.031 0.000 2.913 237 T HA 0.084 4.434 4.350 -0.000 0.000 0.297 237 T C 1.068 175.790 174.700 0.036 0.000 1.029 237 T CA -0.108 62.015 62.100 0.038 0.000 1.104 237 T CB 0.345 69.246 68.868 0.054 0.000 0.964 237 T HN -0.046 nan 8.240 nan 0.000 0.532 238 Q N 2.795 122.613 119.800 0.030 0.000 2.265 238 Q HA 0.226 4.566 4.340 -0.000 0.000 0.217 238 Q C 0.131 176.144 176.000 0.021 0.000 0.916 238 Q CA 0.458 56.274 55.803 0.021 0.000 0.948 238 Q CB 0.088 28.834 28.738 0.013 0.000 1.020 238 Q HN 0.603 nan 8.270 nan 0.000 0.462 239 Q N -0.370 119.454 119.800 0.040 0.000 2.565 239 Q HA 0.312 4.652 4.340 -0.000 0.000 0.294 239 Q C -0.971 175.082 176.000 0.088 0.000 1.005 239 Q CA -0.825 55.004 55.803 0.043 0.000 0.771 239 Q CB 1.606 30.374 28.738 0.050 0.000 1.486 239 Q HN 0.189 nan 8.270 nan 0.000 0.422 240 N N -0.066 118.687 118.700 0.088 0.000 2.479 240 N HA 0.421 5.161 4.740 -0.000 0.000 0.257 240 N C -1.120 174.611 175.510 0.369 0.000 1.232 240 N CA 0.226 53.392 53.050 0.193 0.000 0.920 240 N CB 0.795 39.236 38.487 -0.076 0.000 1.105 240 N HN 0.503 nan 8.380 nan 0.000 0.444 241 A N 1.743 124.782 122.820 0.365 0.000 2.486 241 A HA 0.679 4.999 4.320 -0.000 0.000 0.300 241 A C -1.013 176.528 177.584 -0.072 0.000 1.048 241 A CA -0.613 51.523 52.037 0.165 0.000 0.696 241 A CB 1.091 20.157 19.000 0.110 0.000 1.278 241 A HN 0.577 nan 8.150 nan 0.000 0.405 242 M N 2.444 121.806 119.600 -0.395 0.000 2.259 242 M HA 0.531 5.011 4.480 -0.000 0.000 0.304 242 M C -0.955 175.200 176.300 -0.243 0.000 1.019 242 M CA -0.830 54.187 55.300 -0.472 0.000 0.922 242 M CB 2.208 34.277 32.600 -0.886 0.000 1.600 242 M HN 0.702 nan 8.290 nan 0.000 0.433 243 V N 1.286 121.115 119.914 -0.142 0.000 2.735 243 V HA 0.682 4.802 4.120 -0.000 0.000 0.310 243 V C -0.977 175.110 176.094 -0.012 0.000 1.061 243 V CA -0.840 61.459 62.300 -0.002 0.000 0.913 243 V CB 1.658 33.546 31.823 0.109 0.000 1.005 243 V HN 0.945 nan 8.190 nan 0.000 0.428 244 Q N 3.496 123.326 119.800 0.049 0.000 2.293 244 Q HA 0.800 5.140 4.340 -0.000 0.000 0.261 244 Q C -1.276 174.795 176.000 0.117 0.000 0.960 244 Q CA -0.702 55.126 55.803 0.042 0.000 0.882 244 Q CB 2.367 31.126 28.738 0.036 0.000 1.275 244 Q HN 0.793 nan 8.270 nan 0.000 0.445 245 I N 2.479 123.112 120.570 0.105 0.000 2.378 245 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 245 I C -0.492 175.736 176.117 0.186 0.000 0.992 245 I CA -0.727 60.676 61.300 0.172 0.000 1.154 245 I CB 1.996 40.094 38.000 0.164 0.000 1.315 245 I HN 0.700 nan 8.210 nan 0.000 0.448 246 Q N 5.473 125.382 119.800 0.182 0.000 2.316 246 Q HA 0.424 4.764 4.340 -0.000 0.000 0.264 246 Q C -1.331 174.776 176.000 0.178 0.000 0.987 246 Q CA -0.679 55.233 55.803 0.182 0.000 0.852 246 Q CB 2.305 31.128 28.738 0.143 0.000 1.287 246 Q HN 0.495 nan 8.270 nan 0.000 0.448 247 V N 6.003 126.045 119.914 0.213 0.000 2.222 247 V HA 0.002 4.122 4.120 -0.000 0.000 0.253 247 V C 1.172 177.383 176.094 0.195 0.000 1.210 247 V CA 0.131 62.526 62.300 0.158 0.000 1.079 247 V CB 0.451 32.347 31.823 0.122 0.000 1.265 247 V HN 0.824 nan 8.190 nan 0.000 0.494 248 V N 6.302 126.307 119.914 0.152 0.000 2.332 248 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 248 V C 0.487 176.789 176.094 0.345 0.000 1.055 248 V CA 2.368 64.789 62.300 0.202 0.000 1.038 248 V CB -0.169 31.747 31.823 0.156 0.000 0.651 248 V HN 0.862 nan 8.190 nan 0.000 0.450 249 F N -1.560 118.549 119.950 0.265 0.000 2.746 249 F HA 0.590 5.117 4.527 -0.000 0.000 0.311 249 F C -1.251 174.828 175.800 0.465 0.000 1.135 249 F CA -1.655 56.528 58.000 0.306 0.000 0.954 249 F CB 0.223 39.295 39.000 0.121 0.000 1.276 249 F HN 0.176 nan 8.300 nan 0.000 0.440 250 Y N 2.302 122.880 120.300 0.464 0.000 2.665 250 Y HA 0.913 5.463 4.550 -0.000 0.000 0.336 250 Y C -1.058 175.092 175.900 0.417 0.000 1.085 250 Y CA -2.645 55.691 58.100 0.393 0.000 1.096 250 Y CB 1.369 40.016 38.460 0.311 0.000 1.301 250 Y HN 0.900 nan 8.280 nan 0.000 0.493 251 I N 0.705 121.411 120.570 0.226 0.000 2.582 251 I HA 0.914 5.084 4.170 -0.000 0.000 0.292 251 I C -0.823 175.308 176.117 0.023 0.000 1.066 251 I CA -0.807 60.514 61.300 0.035 0.000 1.053 251 I CB 2.405 40.511 38.000 0.176 0.000 1.241 251 I HN 0.856 nan 8.210 nan 0.000 0.421 252 S N 4.664 120.328 115.700 -0.061 0.000 2.685 252 S HA 0.555 5.025 4.470 -0.000 0.000 0.282 252 S C 0.070 174.667 174.600 -0.005 0.000 1.159 252 S CA -0.993 57.202 58.200 -0.008 0.000 0.833 252 S CB 2.072 65.272 63.200 -0.000 0.000 1.151 252 S HN 0.793 nan 8.310 nan 0.000 0.485 253 M N 1.181 120.783 119.600 0.003 0.000 2.568 253 M HA 0.187 4.667 4.480 -0.000 0.000 0.226 253 M C -0.667 175.684 176.300 0.085 0.000 1.148 253 M CA 0.125 55.452 55.300 0.044 0.000 1.007 253 M CB -0.547 32.051 32.600 -0.003 0.000 1.651 253 M HN 0.546 nan 8.290 nan 0.000 0.488 254 D N 1.954 122.375 120.400 0.036 0.000 2.345 254 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 254 D C 0.155 176.487 176.300 0.054 0.000 1.108 254 D CA 0.119 54.147 54.000 0.046 0.000 0.894 254 D CB 0.976 41.775 40.800 -0.003 0.000 1.203 254 D HN -0.116 nan 8.370 nan 0.000 0.430 255 K N 1.539 121.986 120.400 0.078 0.000 2.379 255 K HA 0.144 4.464 4.320 -0.000 0.000 0.284 255 K C 0.688 177.314 176.600 0.043 0.000 1.044 255 K CA -0.137 56.188 56.287 0.064 0.000 0.974 255 K CB 0.482 33.024 32.500 0.071 0.000 0.962 255 K HN 0.534 nan 8.250 nan 0.000 0.474 256 T N -1.153 113.413 114.554 0.020 0.000 2.893 256 T HA 0.287 4.637 4.350 -0.000 0.000 0.281 256 T C 1.061 175.773 174.700 0.021 0.000 1.027 256 T CA -0.765 61.334 62.100 -0.001 0.000 0.953 256 T CB 0.455 69.296 68.868 -0.046 0.000 1.434 256 T HN 0.223 nan 8.240 nan 0.000 0.597 257 L N 0.473 121.701 121.223 0.007 0.000 2.591 257 L HA 0.367 4.707 4.340 -0.000 0.000 0.228 257 L C 1.164 178.054 176.870 0.032 0.000 1.133 257 L CA 0.812 55.670 54.840 0.031 0.000 0.880 257 L CB -1.163 40.908 42.059 0.020 0.000 1.033 257 L HN 0.612 nan 8.230 nan 0.000 0.450 258 N N -1.364 117.340 118.700 0.007 0.000 2.320 258 N HA -0.003 4.737 4.740 -0.000 0.000 0.237 258 N C 1.394 176.911 175.510 0.012 0.000 1.129 258 N CA -0.089 52.960 53.050 -0.002 0.000 0.854 258 N CB 0.333 38.797 38.487 -0.038 0.000 1.083 258 N HN 0.450 nan 8.380 nan 0.000 0.504 259 Q N -0.306 119.523 119.800 0.048 0.000 2.172 259 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 259 Q C -0.172 175.894 176.000 0.110 0.000 0.964 259 Q CA 0.905 56.747 55.803 0.064 0.000 0.855 259 Q CB 0.021 28.801 28.738 0.070 0.000 0.918 259 Q HN 0.431 nan 8.270 nan 0.000 0.444 260 Y N 1.687 121.984 120.300 -0.005 0.000 2.421 260 Y HA 0.392 4.942 4.550 -0.000 0.000 0.339 260 Y C -2.680 173.221 175.900 0.002 0.000 0.996 260 Y CA -3.126 54.972 58.100 -0.003 0.000 1.046 260 Y CB 1.778 40.238 38.460 0.000 0.000 1.226 260 Y HN -0.067 nan 8.280 nan 0.000 0.445 261 P HA -0.065 nan 4.420 nan 0.000 0.257 261 P C 0.192 177.456 177.300 -0.060 0.000 1.153 261 P CA 1.797 64.719 63.100 -0.297 0.000 0.762 261 P CB 0.221 31.656 31.700 -0.442 0.000 0.743 262 A N 2.826 125.649 122.820 0.005 0.000 2.715 262 A HA -0.242 4.078 4.320 -0.000 0.000 0.301 262 A C 1.422 179.091 177.584 0.141 0.000 1.515 262 A CA 0.997 53.073 52.037 0.064 0.000 0.816 262 A CB -2.336 16.695 19.000 0.052 0.000 1.004 262 A HN 0.644 nan 8.150 nan 0.000 0.483 263 L N -1.186 120.148 121.223 0.186 0.000 2.081 263 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 263 L C 2.672 179.636 176.870 0.156 0.000 1.080 263 L CA 2.521 57.487 54.840 0.211 0.000 0.754 263 L CB -0.445 41.734 42.059 0.200 0.000 0.893 263 L HN 0.726 nan 8.230 nan 0.000 0.433 264 T N -0.163 114.465 114.554 0.123 0.000 2.580 264 T HA -0.300 4.050 4.350 -0.000 0.000 0.265 264 T C 1.888 176.689 174.700 0.168 0.000 1.063 264 T CA 1.587 63.757 62.100 0.117 0.000 1.170 264 T CB -0.622 68.284 68.868 0.063 0.000 0.863 264 T HN 0.550 nan 8.240 nan 0.000 0.418 265 A N 1.850 124.762 122.820 0.153 0.000 1.958 265 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 265 A C 2.336 180.073 177.584 0.255 0.000 1.178 265 A CA 1.700 53.864 52.037 0.211 0.000 0.642 265 A CB -0.521 18.568 19.000 0.148 0.000 0.816 265 A HN 0.443 nan 8.150 nan 0.000 0.453 266 E N -0.008 120.308 120.200 0.193 0.000 2.017 266 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 266 E C 2.040 178.753 176.600 0.188 0.000 0.997 266 E CA 1.344 57.842 56.400 0.162 0.000 0.804 266 E CB -0.580 29.201 29.700 0.135 0.000 0.757 266 E HN 0.742 nan 8.360 nan 0.000 0.448 267 I N 0.878 121.585 120.570 0.227 0.000 2.194 267 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 267 I C 2.438 178.807 176.117 0.420 0.000 1.093 267 I CA 1.158 62.649 61.300 0.319 0.000 1.355 267 I CB -0.376 37.804 38.000 0.300 0.000 1.046 267 I HN -0.006 nan 8.210 nan 0.000 0.413 268 F N 2.052 122.124 119.950 0.203 0.000 2.095 268 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 268 F C 2.326 178.249 175.800 0.205 0.000 1.104 268 F CA 2.020 60.131 58.000 0.184 0.000 1.232 268 F CB -0.854 38.211 39.000 0.107 0.000 0.987 268 F HN 0.115 nan 8.300 nan 0.000 0.475 269 N N 0.399 119.071 118.700 -0.046 0.000 2.069 269 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 269 N C 1.822 177.305 175.510 -0.045 0.000 1.031 269 N CA 2.214 55.166 53.050 -0.163 0.000 0.852 269 N CB -0.097 38.378 38.487 -0.021 0.000 1.018 269 N HN 0.289 nan 8.380 nan 0.000 0.423 270 V N 0.167 120.126 119.914 0.075 0.000 2.307 270 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 270 V C 1.743 177.892 176.094 0.093 0.000 1.045 270 V CA 1.501 63.871 62.300 0.115 0.000 1.024 270 V CB -1.139 30.669 31.823 -0.026 0.000 0.651 270 V HN 0.295 nan 8.190 nan 0.000 0.449 271 Y N 0.773 121.151 120.300 0.129 0.000 2.571 271 Y HA 0.046 4.596 4.550 -0.000 0.000 0.294 271 Y C 1.889 177.925 175.900 0.225 0.000 1.141 271 Y CA 0.227 58.423 58.100 0.161 0.000 1.308 271 Y CB -0.406 38.145 38.460 0.151 0.000 1.002 271 Y HN 0.150 nan 8.280 nan 0.000 0.551 272 S N 0.182 115.995 115.700 0.188 0.000 2.576 272 S HA -0.064 4.406 4.470 -0.000 0.000 0.272 272 S C 0.927 175.786 174.600 0.431 0.000 1.352 272 S CA -0.515 57.763 58.200 0.129 0.000 1.021 272 S CB 0.353 63.389 63.200 -0.273 0.000 0.887 272 S HN 0.317 nan 8.310 nan 0.000 0.542 273 F N 2.144 122.274 119.950 0.299 0.000 2.074 273 F HA 0.036 4.563 4.527 -0.000 0.000 0.290 273 F C 1.910 177.867 175.800 0.262 0.000 1.118 273 F CA 1.695 59.882 58.000 0.311 0.000 1.199 273 F CB -0.131 38.992 39.000 0.204 0.000 1.012 273 F HN 0.725 nan 8.300 nan 0.000 0.472 274 R N -0.269 120.198 120.500 -0.055 0.000 1.478 274 R HA -0.309 4.031 4.340 -0.000 0.000 0.042 274 R C -0.630 175.384 176.300 -0.476 0.000 0.955 274 R CA 1.953 57.912 56.100 -0.236 0.000 1.937 274 R CB -2.140 27.931 30.300 -0.381 0.000 0.236 274 R HN 0.593 nan 8.270 nan 0.000 0.725 275 D N -2.102 117.772 120.400 -0.876 0.000 2.639 275 D HA 0.293 4.933 4.640 -0.000 0.000 0.271 275 D C 0.201 175.923 176.300 -0.963 0.000 1.254 275 D CA -0.359 53.090 54.000 -0.919 0.000 0.810 275 D CB 0.278 40.956 40.800 -0.203 0.000 1.351 275 D HN 0.276 nan 8.370 nan 0.000 0.427 276 H N -0.371 118.473 119.070 -0.377 0.000 2.289 276 H HA -0.150 4.406 4.556 -0.000 0.000 0.294 276 H C 1.543 176.782 175.328 -0.148 0.000 1.095 276 H CA 2.885 58.864 56.048 -0.116 0.000 1.256 276 H CB -0.515 29.257 29.762 0.018 0.000 1.359 276 H HN 0.516 nan 8.280 nan 0.000 0.487 277 T N 0.785 115.321 114.554 -0.030 0.000 2.635 277 T HA -0.282 4.067 4.350 -0.000 0.000 0.267 277 T C 1.791 176.369 174.700 -0.203 0.000 1.040 277 T CA 1.450 63.466 62.100 -0.141 0.000 1.156 277 T CB -0.642 68.126 68.868 -0.167 0.000 0.863 277 T HN 0.572 nan 8.240 nan 0.000 0.430 278 W N 1.788 122.803 121.300 -0.475 0.000 2.332 278 W HA -0.290 4.370 4.660 -0.000 0.000 0.321 278 W C 2.309 178.585 176.519 -0.404 0.000 1.219 278 W CA 1.800 58.721 57.345 -0.705 0.000 1.277 278 W CB -0.864 27.975 29.460 -1.035 0.000 1.161 278 W HN 0.414 nan 8.180 nan 0.000 0.476 279 H N -0.295 118.354 119.070 -0.701 0.000 2.261 279 H HA -0.226 4.330 4.556 -0.000 0.000 0.290 279 H C 2.455 177.473 175.328 -0.517 0.000 1.081 279 H CA 3.618 59.306 56.048 -0.601 0.000 1.196 279 H CB -0.988 28.580 29.762 -0.323 0.000 1.350 279 H HN 0.174 nan 8.280 nan 0.000 0.498 280 G N 1.010 109.680 108.800 -0.217 0.000 2.450 280 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 280 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 280 G C 1.817 176.535 174.900 -0.302 0.000 1.130 280 G CA 0.775 45.752 45.100 -0.203 0.000 0.760 280 G HN 0.437 nan 8.290 nan 0.000 0.557 281 L N 0.406 121.398 121.223 -0.385 0.000 1.961 281 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 281 L C 2.845 179.413 176.870 -0.504 0.000 1.072 281 L CA 1.982 56.613 54.840 -0.349 0.000 0.749 281 L CB -0.575 41.320 42.059 -0.274 0.000 0.889 281 L HN 0.240 nan 8.230 nan 0.000 0.432 282 R N -0.363 119.583 120.500 -0.923 0.000 2.103 282 R HA -0.193 4.147 4.340 -0.000 0.000 0.242 282 R C 1.915 177.880 176.300 -0.558 0.000 1.142 282 R CA 2.370 57.919 56.100 -0.918 0.000 0.960 282 R CB -0.685 28.780 30.300 -1.392 0.000 0.858 282 R HN 0.443 nan 8.270 nan 0.000 0.439 283 T N 1.027 115.261 114.554 -0.534 0.000 2.614 283 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 283 T C 1.920 176.481 174.700 -0.232 0.000 1.055 283 T CA 1.866 63.750 62.100 -0.360 0.000 1.162 283 T CB -0.595 68.061 68.868 -0.353 0.000 0.863 283 T HN 0.475 nan 8.240 nan 0.000 0.414 284 A N 0.909 123.607 122.820 -0.202 0.000 1.997 284 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 284 A C 2.295 179.813 177.584 -0.110 0.000 1.172 284 A CA 1.455 53.419 52.037 -0.121 0.000 0.645 284 A CB -0.974 17.973 19.000 -0.089 0.000 0.813 284 A HN 0.572 nan 8.150 nan 0.000 0.454 285 I N -1.363 119.113 120.570 -0.157 0.000 2.193 285 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 285 I C 2.570 178.623 176.117 -0.108 0.000 1.084 285 I CA 1.376 62.600 61.300 -0.127 0.000 1.365 285 I CB -0.351 37.552 38.000 -0.163 0.000 1.064 285 I HN 0.249 nan 8.210 nan 0.000 0.410 286 R N 0.859 121.274 120.500 -0.141 0.000 2.285 286 R HA -0.085 4.255 4.340 -0.000 0.000 0.213 286 R C 1.664 177.927 176.300 -0.061 0.000 1.068 286 R CA 0.621 56.659 56.100 -0.103 0.000 1.004 286 R CB -0.383 29.838 30.300 -0.132 0.000 0.873 286 R HN 0.356 nan 8.270 nan 0.000 0.467 287 N N 0.495 119.156 118.700 -0.064 0.000 2.453 287 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 287 N C 1.131 176.627 175.510 -0.023 0.000 1.041 287 N CA 0.909 53.937 53.050 -0.037 0.000 0.900 287 N CB 0.103 38.567 38.487 -0.038 0.000 0.961 287 N HN 0.023 nan 8.380 nan 0.000 0.443 288 R N -0.335 120.149 120.500 -0.027 0.000 2.280 288 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 288 R C 0.642 176.934 176.300 -0.013 0.000 0.935 288 R CA 0.241 56.331 56.100 -0.017 0.000 1.033 288 R CB -0.191 30.098 30.300 -0.019 0.000 0.964 288 R HN 0.297 nan 8.270 nan 0.000 0.489 289 T N -4.074 110.471 114.554 -0.015 0.000 2.922 289 T HA 0.192 4.542 4.350 -0.000 0.000 0.281 289 T C 1.212 175.918 174.700 0.009 0.000 1.005 289 T CA -0.199 61.898 62.100 -0.006 0.000 0.982 289 T CB 1.550 70.410 68.868 -0.013 0.000 1.158 289 T HN 0.115 nan 8.240 nan 0.000 0.566 290 T N -0.909 113.656 114.554 0.019 0.000 3.148 290 T HA 0.220 4.570 4.350 -0.000 0.000 0.253 290 T C 0.560 175.291 174.700 0.052 0.000 1.134 290 T CA -0.296 61.824 62.100 0.034 0.000 1.051 290 T CB -0.358 68.531 68.868 0.036 0.000 0.959 290 T HN 0.287 nan 8.240 nan 0.000 0.525 291 L N 2.831 124.085 121.223 0.052 0.000 2.375 291 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 291 L C -2.150 174.783 176.870 0.104 0.000 1.107 291 L CA -2.899 51.995 54.840 0.090 0.000 0.806 291 L CB 0.408 42.522 42.059 0.090 0.000 1.146 291 L HN 0.035 nan 8.230 nan 0.000 0.447 292 P HA 0.043 nan 4.420 nan 0.000 0.264 292 P C 0.282 177.710 177.300 0.213 0.000 1.229 292 P CA -0.244 62.954 63.100 0.164 0.000 0.780 292 P CB 0.174 31.964 31.700 0.149 0.000 0.808 293 N N 4.627 123.386 118.700 0.098 0.000 2.405 293 N HA -0.223 4.517 4.740 -0.000 0.000 0.189 293 N C 0.968 176.492 175.510 0.024 0.000 1.021 293 N CA 1.933 54.992 53.050 0.016 0.000 0.891 293 N CB -0.764 37.709 38.487 -0.024 0.000 0.955 293 N HN 0.596 nan 8.380 nan 0.000 0.443 294 M N -3.878 115.862 119.600 0.233 0.000 2.622 294 M HA 0.362 4.842 4.480 -0.000 0.000 0.456 294 M C -1.093 175.544 176.300 0.562 0.000 1.168 294 M CA -0.272 55.239 55.300 0.352 0.000 0.930 294 M CB 0.639 33.326 32.600 0.145 0.000 1.919 294 M HN -0.145 nan 8.290 nan 0.000 0.640 295 L N 2.589 124.023 121.223 0.351 0.000 2.439 295 L HA 0.656 4.996 4.340 -0.000 0.000 0.270 295 L C -2.501 174.045 176.870 -0.541 0.000 0.972 295 L CA -1.683 53.112 54.840 -0.075 0.000 0.836 295 L CB 2.412 44.470 42.059 -0.001 0.000 1.255 295 L HN -0.164 nan 8.230 nan 0.000 0.404 296 P HA -0.094 nan 4.420 nan 0.000 0.262 296 P C -2.279 174.801 177.300 -0.366 0.000 1.151 296 P CA -0.336 62.218 63.100 -0.910 0.000 0.757 296 P CB -0.276 31.134 31.700 -0.483 0.000 0.754 297 P HA 0.019 nan 4.420 nan 0.000 0.269 297 P C 0.496 177.731 177.300 -0.107 0.000 1.209 297 P CA 0.099 63.164 63.100 -0.059 0.000 0.776 297 P CB 0.683 32.417 31.700 0.057 0.000 0.876 298 I N 1.180 121.637 120.570 -0.188 0.000 2.286 298 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 298 I C 1.090 176.963 176.117 -0.406 0.000 1.104 298 I CA 1.460 62.522 61.300 -0.397 0.000 1.397 298 I CB -0.756 36.826 38.000 -0.697 0.000 1.072 298 I HN 0.174 nan 8.210 nan 0.000 0.417 299 F N 2.419 122.414 119.950 0.075 0.000 2.427 299 F HA 0.437 4.964 4.527 -0.000 0.000 0.346 299 F C -2.037 173.802 175.800 0.064 0.000 1.120 299 F CA -3.546 54.505 58.000 0.084 0.000 1.033 299 F CB 0.042 39.090 39.000 0.080 0.000 1.126 299 F HN -0.175 nan 8.300 nan 0.000 0.462 300 P HA 0.129 nan 4.420 nan 0.000 0.267 300 P C -2.581 174.804 177.300 0.143 0.000 1.205 300 P CA -0.838 62.353 63.100 0.152 0.000 0.765 300 P CB 0.213 31.982 31.700 0.116 0.000 0.828 301 P HA 0.075 nan 4.420 nan 0.000 0.271 301 P C 0.630 177.969 177.300 0.065 0.000 1.244 301 P CA 0.043 63.196 63.100 0.088 0.000 0.793 301 P CB 0.343 32.086 31.700 0.072 0.000 0.984 302 N N -0.640 118.089 118.700 0.049 0.000 2.116 302 N HA 0.026 4.766 4.740 -0.000 0.000 0.230 302 N C -1.031 174.478 175.510 -0.002 0.000 1.326 302 N CA -0.158 52.911 53.050 0.032 0.000 0.867 302 N CB 0.412 38.934 38.487 0.059 0.000 1.174 302 N HN 0.390 nan 8.380 nan 0.000 0.506 303 D N 0.333 120.731 120.400 -0.003 0.000 2.252 303 D HA 0.199 4.839 4.640 -0.000 0.000 0.245 303 D C 0.847 177.124 176.300 -0.038 0.000 1.009 303 D CA -0.626 53.360 54.000 -0.023 0.000 0.870 303 D CB 2.919 43.714 40.800 -0.008 0.000 1.251 303 D HN -0.140 nan 8.370 nan 0.000 0.460 304 R N 1.184 121.652 120.500 -0.054 0.000 2.154 304 R HA -0.246 4.094 4.340 -0.000 0.000 0.236 304 R C 0.862 177.128 176.300 -0.057 0.000 1.121 304 R CA 2.439 58.501 56.100 -0.063 0.000 0.915 304 R CB -0.367 29.894 30.300 -0.064 0.000 0.856 304 R HN 0.488 nan 8.270 nan 0.000 0.431 305 D N -0.058 120.316 120.400 -0.043 0.000 2.154 305 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 305 D C 2.026 178.306 176.300 -0.034 0.000 1.003 305 D CA 1.917 55.895 54.000 -0.036 0.000 0.849 305 D CB -0.562 40.224 40.800 -0.024 0.000 0.942 305 D HN 0.231 nan 8.370 nan 0.000 0.446 306 S N 0.099 115.786 115.700 -0.022 0.000 2.354 306 S HA -0.125 4.345 4.470 -0.000 0.000 0.219 306 S C 2.067 176.651 174.600 -0.027 0.000 1.035 306 S CA 0.686 58.879 58.200 -0.011 0.000 1.037 306 S CB -0.192 63.015 63.200 0.012 0.000 0.956 306 S HN 0.184 nan 8.310 nan 0.000 0.428 307 I N 1.776 122.318 120.570 -0.047 0.000 2.113 307 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 307 I C 2.332 178.371 176.117 -0.129 0.000 1.064 307 I CA 1.339 62.583 61.300 -0.093 0.000 1.320 307 I CB -1.669 36.249 38.000 -0.135 0.000 1.028 307 I HN 0.272 nan 8.210 nan 0.000 0.406 308 L N 0.424 121.573 121.223 -0.123 0.000 1.963 308 L HA -0.322 4.018 4.340 -0.000 0.000 0.220 308 L C 2.721 179.543 176.870 -0.080 0.000 1.076 308 L CA 2.463 57.235 54.840 -0.115 0.000 0.772 308 L CB -0.667 41.340 42.059 -0.086 0.000 0.892 308 L HN 0.291 nan 8.230 nan 0.000 0.435 309 T N 0.354 114.874 114.554 -0.056 0.000 2.649 309 T HA -0.288 4.062 4.350 -0.000 0.000 0.268 309 T C 1.799 176.478 174.700 -0.036 0.000 1.036 309 T CA 1.949 64.024 62.100 -0.041 0.000 1.157 309 T CB -0.438 68.409 68.868 -0.035 0.000 0.861 309 T HN 0.227 nan 8.240 nan 0.000 0.445 310 L N -0.011 121.190 121.223 -0.036 0.000 2.017 310 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 310 L C 2.554 179.417 176.870 -0.012 0.000 1.073 310 L CA 1.174 56.003 54.840 -0.018 0.000 0.745 310 L CB -0.662 41.400 42.059 0.004 0.000 0.894 310 L HN 0.227 nan 8.230 nan 0.000 0.432 311 L N -0.923 120.271 121.223 -0.049 0.000 1.989 311 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 311 L C 2.561 179.424 176.870 -0.011 0.000 1.071 311 L CA 1.093 55.905 54.840 -0.046 0.000 0.749 311 L CB -0.561 41.424 42.059 -0.123 0.000 0.890 311 L HN 0.194 nan 8.230 nan 0.000 0.431 312 L N -0.672 120.541 121.223 -0.018 0.000 1.989 312 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 312 L C 2.393 179.284 176.870 0.034 0.000 1.071 312 L CA 1.722 56.563 54.840 0.001 0.000 0.749 312 L CB -0.923 41.129 42.059 -0.011 0.000 0.890 312 L HN 0.176 nan 8.230 nan 0.000 0.431 313 L N -1.460 119.788 121.223 0.042 0.000 2.042 313 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 313 L C 2.743 179.706 176.870 0.155 0.000 1.076 313 L CA 1.603 56.509 54.840 0.109 0.000 0.749 313 L CB -0.328 41.766 42.059 0.059 0.000 0.893 313 L HN 0.370 nan 8.230 nan 0.000 0.432 314 S N -1.111 114.641 115.700 0.086 0.000 2.370 314 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 314 S C 1.877 176.493 174.600 0.027 0.000 1.033 314 S CA 2.118 60.354 58.200 0.060 0.000 1.011 314 S CB -0.207 63.025 63.200 0.053 0.000 0.852 314 S HN 0.512 nan 8.310 nan 0.000 0.457 315 T N 2.576 117.152 114.554 0.037 0.000 2.701 315 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 315 T C 1.711 176.435 174.700 0.040 0.000 1.040 315 T CA 1.365 63.482 62.100 0.028 0.000 1.147 315 T CB -0.620 68.265 68.868 0.029 0.000 0.865 315 T HN 0.347 nan 8.240 nan 0.000 0.426 316 L N 1.320 122.592 121.223 0.081 0.000 2.261 316 L HA 0.011 4.351 4.340 -0.000 0.000 0.216 316 L C 2.426 179.404 176.870 0.180 0.000 1.114 316 L CA 1.453 56.389 54.840 0.159 0.000 0.777 316 L CB -0.824 41.345 42.059 0.183 0.000 0.910 316 L HN 0.235 nan 8.230 nan 0.000 0.440 317 A N -0.780 122.015 122.820 -0.041 0.000 1.855 317 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 317 A C 1.997 179.372 177.584 -0.347 0.000 1.191 317 A CA 1.643 53.327 52.037 -0.589 0.000 0.613 317 A CB -0.737 17.918 19.000 -0.575 0.000 0.829 317 A HN 0.514 nan 8.150 nan 0.000 0.442 318 D N 0.051 120.355 120.400 -0.161 0.000 2.123 318 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 318 D C 2.106 178.386 176.300 -0.034 0.000 0.992 318 D CA 1.559 55.501 54.000 -0.097 0.000 0.833 318 D CB -0.513 40.258 40.800 -0.048 0.000 0.954 318 D HN 0.224 nan 8.370 nan 0.000 0.455 319 V N 0.902 120.840 119.914 0.040 0.000 2.287 319 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 319 V C 2.281 178.443 176.094 0.113 0.000 1.053 319 V CA 1.560 63.925 62.300 0.108 0.000 1.027 319 V CB -0.798 31.141 31.823 0.193 0.000 0.646 319 V HN 0.155 nan 8.190 nan 0.000 0.447 320 Y N 1.657 121.960 120.300 0.003 0.000 2.114 320 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 320 Y C 2.654 178.386 175.900 -0.281 0.000 1.165 320 Y CA 2.409 60.342 58.100 -0.279 0.000 1.148 320 Y CB -0.679 37.556 38.460 -0.375 0.000 0.972 320 Y HN 0.289 nan 8.280 nan 0.000 0.504 321 T N 0.127 114.649 114.554 -0.053 0.000 2.652 321 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 321 T C 2.072 176.692 174.700 -0.134 0.000 1.039 321 T CA 2.489 64.532 62.100 -0.094 0.000 1.153 321 T CB -1.146 67.664 68.868 -0.098 0.000 0.863 321 T HN 0.427 nan 8.240 nan 0.000 0.428 322 V N 0.370 120.222 119.914 -0.103 0.000 2.427 322 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 322 V C 2.271 178.293 176.094 -0.120 0.000 1.051 322 V CA 1.417 63.663 62.300 -0.090 0.000 1.048 322 V CB -1.106 30.684 31.823 -0.055 0.000 0.666 322 V HN 0.431 nan 8.190 nan 0.000 0.456 323 L N -0.483 120.644 121.223 -0.160 0.000 2.240 323 L HA 0.157 4.497 4.340 -0.000 0.000 0.211 323 L C 1.382 178.088 176.870 -0.273 0.000 1.106 323 L CA 0.623 55.349 54.840 -0.191 0.000 0.793 323 L CB -0.365 41.597 42.059 -0.161 0.000 0.927 323 L HN 0.387 nan 8.230 nan 0.000 0.446 324 R N -1.609 118.658 120.500 -0.388 0.000 3.416 324 R HA -0.130 4.210 4.340 -0.000 0.000 0.263 324 R C -2.235 173.818 176.300 -0.412 0.000 1.053 324 R CA 0.164 56.028 56.100 -0.393 0.000 0.705 324 R CB -2.490 27.684 30.300 -0.210 0.000 1.124 324 R HN 0.342 nan 8.270 nan 0.000 0.444 325 P HA 0.139 nan 4.420 nan 0.000 0.271 325 P C -0.314 176.912 177.300 -0.124 0.000 1.233 325 P CA 0.332 63.233 63.100 -0.331 0.000 0.789 325 P CB 0.752 32.203 31.700 -0.414 0.000 0.951 326 E N 0.686 120.966 120.200 0.135 0.000 2.281 326 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 326 E C -1.073 175.761 176.600 0.389 0.000 0.893 326 E CA -0.392 56.100 56.400 0.153 0.000 0.798 326 E CB 1.068 30.798 29.700 0.050 0.000 1.245 326 E HN 0.422 nan 8.360 nan 0.000 0.410 327 F N 0.309 120.320 119.950 0.101 0.000 2.773 327 F HA 0.764 5.291 4.527 -0.000 0.000 0.314 327 F C -1.006 174.858 175.800 0.106 0.000 1.160 327 F CA -1.405 56.682 58.000 0.146 0.000 0.920 327 F CB 0.290 39.467 39.000 0.294 0.000 1.323 327 F HN 0.346 nan 8.300 nan 0.000 0.457 328 A N 1.926 124.854 122.820 0.180 0.000 2.332 328 A HA 0.743 5.063 4.320 -0.000 0.000 0.258 328 A C -0.628 176.948 177.584 -0.014 0.000 1.087 328 A CA -0.386 51.671 52.037 0.033 0.000 0.802 328 A CB 0.693 19.724 19.000 0.052 0.000 1.042 328 A HN 1.011 nan 8.150 nan 0.000 0.489 329 M N 1.385 120.935 119.600 -0.084 0.000 2.274 329 M HA 0.240 4.720 4.480 -0.000 0.000 0.272 329 M C -1.387 174.882 176.300 -0.050 0.000 1.053 329 M CA -0.467 54.774 55.300 -0.099 0.000 0.978 329 M CB 1.294 33.834 32.600 -0.100 0.000 1.836 329 M HN 0.877 nan 8.290 nan 0.000 0.484 330 H N 2.957 122.047 119.070 0.032 0.000 3.157 330 H HA 0.154 4.710 4.556 -0.000 0.000 0.299 330 H C 1.243 176.574 175.328 0.005 0.000 0.961 330 H CA 2.038 58.097 56.048 0.018 0.000 1.428 330 H CB 0.192 29.966 29.762 0.020 0.000 1.459 330 H HN 0.996 nan 8.280 nan 0.000 0.566 331 G N 2.543 111.424 108.800 0.133 0.000 2.176 331 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 331 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 331 G C 0.004 174.926 174.900 0.037 0.000 0.979 331 G CA 0.200 45.339 45.100 0.065 0.000 0.641 331 G HN 0.575 nan 8.290 nan 0.000 0.530 332 V N 1.365 121.295 119.914 0.025 0.000 2.398 332 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 332 V C 0.014 176.089 176.094 -0.032 0.000 1.026 332 V CA -0.926 61.374 62.300 -0.000 0.000 0.868 332 V CB 1.761 33.578 31.823 -0.010 0.000 0.982 332 V HN 0.317 nan 8.190 nan 0.000 0.443 333 N N 5.024 123.680 118.700 -0.073 0.000 2.518 333 N HA 0.439 5.179 4.740 -0.000 0.000 0.254 333 N C -2.752 172.606 175.510 -0.253 0.000 0.979 333 N CA -1.124 51.857 53.050 -0.114 0.000 0.930 333 N CB 2.538 40.972 38.487 -0.088 0.000 1.152 333 N HN 0.434 nan 8.380 nan 0.000 0.505 334 P HA 0.254 nan 4.420 nan 0.000 0.281 334 P C -0.548 176.639 177.300 -0.188 0.000 1.252 334 P CA 0.037 62.992 63.100 -0.241 0.000 0.778 334 P CB 0.793 32.458 31.700 -0.060 0.000 0.895 335 M N 5.586 125.063 119.600 -0.205 0.000 2.080 335 M HA 0.222 4.702 4.480 -0.000 0.000 0.350 335 M C -1.017 175.311 176.300 0.046 0.000 1.173 335 M CA -1.560 53.711 55.300 -0.049 0.000 1.052 335 M CB 1.591 34.192 32.600 0.001 0.000 1.577 335 M HN 0.309 nan 8.290 nan 0.000 0.455 336 P HA -0.057 nan 4.420 nan 0.000 0.225 336 P C 0.652 177.982 177.300 0.049 0.000 1.148 336 P CA 0.516 63.638 63.100 0.037 0.000 0.779 336 P CB -0.108 31.604 31.700 0.019 0.000 0.780 337 G N 1.933 110.765 108.800 0.054 0.000 2.562 337 G HA2 0.024 3.984 3.960 -0.000 0.000 0.233 337 G HA3 0.024 3.984 3.960 -0.000 0.000 0.233 337 G C -1.458 173.481 174.900 0.066 0.000 1.266 337 G CA -0.594 44.538 45.100 0.054 0.000 0.852 337 G HN 0.103 nan 8.290 nan 0.000 0.581 338 P HA 0.010 nan 4.420 nan 0.000 0.227 338 P C 0.056 177.397 177.300 0.067 0.000 1.145 338 P CA 0.178 63.309 63.100 0.052 0.000 0.769 338 P CB -0.113 31.610 31.700 0.037 0.000 0.769 339 L N -0.923 120.350 121.223 0.083 0.000 1.935 339 L HA -0.138 4.202 4.340 -0.000 0.000 0.474 339 L C 0.365 177.274 176.870 0.066 0.000 1.002 339 L CA 0.918 55.816 54.840 0.097 0.000 1.232 339 L CB -2.060 40.081 42.059 0.138 0.000 1.316 339 L HN 0.152 nan 8.230 nan 0.000 0.686 340 T N -0.151 114.428 114.554 0.042 0.000 2.916 340 T HA 0.853 5.203 4.350 -0.000 0.000 0.292 340 T C 1.109 175.808 174.700 -0.002 0.000 1.064 340 T CA -0.330 61.784 62.100 0.023 0.000 1.011 340 T CB 1.888 70.765 68.868 0.015 0.000 1.152 340 T HN 1.023 nan 8.240 nan 0.000 0.510 341 A N 0.976 123.797 122.820 0.002 0.000 1.927 341 A HA 0.056 4.376 4.320 -0.000 0.000 0.220 341 A C 2.540 180.098 177.584 -0.044 0.000 1.185 341 A CA 2.491 54.521 52.037 -0.011 0.000 0.639 341 A CB -1.590 17.411 19.000 0.002 0.000 0.820 341 A HN 1.347 nan 8.150 nan 0.000 0.451 342 A N 0.112 122.911 122.820 -0.034 0.000 1.851 342 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 342 A C 2.112 179.652 177.584 -0.073 0.000 1.195 342 A CA 1.631 53.644 52.037 -0.040 0.000 0.622 342 A CB -0.739 18.248 19.000 -0.020 0.000 0.831 342 A HN 0.534 nan 8.150 nan 0.000 0.444 343 I N -0.135 120.391 120.570 -0.073 0.000 2.248 343 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 343 I C 2.917 178.855 176.117 -0.299 0.000 1.107 343 I CA 1.124 62.363 61.300 -0.101 0.000 1.373 343 I CB -0.479 37.508 38.000 -0.021 0.000 1.055 343 I HN 0.392 nan 8.210 nan 0.000 0.418 344 A N 1.035 123.610 122.820 -0.408 0.000 1.855 344 A HA -0.249 4.071 4.320 -0.000 0.000 0.215 344 A C 2.356 179.721 177.584 -0.364 0.000 1.191 344 A CA 1.905 53.477 52.037 -0.775 0.000 0.613 344 A CB -0.587 18.143 19.000 -0.449 0.000 0.829 344 A HN 0.307 nan 8.150 nan 0.000 0.442 345 R N 0.255 120.669 120.500 -0.144 0.000 2.115 345 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 345 R C 2.166 178.471 176.300 0.008 0.000 1.133 345 R CA 2.419 58.502 56.100 -0.028 0.000 0.935 345 R CB -0.974 29.301 30.300 -0.042 0.000 0.853 345 R HN 0.415 nan 8.270 nan 0.000 0.433 346 A N 0.205 122.987 122.820 -0.063 0.000 1.917 346 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 346 A C 2.428 179.971 177.584 -0.068 0.000 1.182 346 A CA 2.156 54.165 52.037 -0.047 0.000 0.633 346 A CB -1.243 17.728 19.000 -0.048 0.000 0.819 346 A HN 0.593 nan 8.150 nan 0.000 0.448 347 A N -1.533 121.154 122.820 -0.221 0.000 1.978 347 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 347 A C 1.114 178.519 177.584 -0.298 0.000 1.170 347 A CA 0.989 52.800 52.037 -0.377 0.000 0.636 347 A CB -0.728 17.741 19.000 -0.885 0.000 0.810 347 A HN 0.563 nan 8.150 nan 0.000 0.448 348 Y N 0.470 120.727 120.300 -0.071 0.000 2.889 348 Y HA 0.373 4.923 4.550 -0.000 0.000 0.367 348 Y C 0.727 176.669 175.900 0.070 0.000 1.197 348 Y CA 0.214 58.370 58.100 0.094 0.000 1.993 348 Y CB -1.053 37.459 38.460 0.087 0.000 2.112 348 Y HN 0.091 nan 8.280 nan 0.000 0.413 349 V N 0.000 119.996 119.914 0.137 0.000 2.409 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 349 V CA 0.000 62.357 62.300 0.096 0.000 1.235 349 V CB 0.000 31.883 31.823 0.100 0.000 1.184 349 V HN 0.000 nan 8.190 nan 0.000 0.556