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 2fee_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLYSA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.013 0.000 0.893 18 R CA 0.000 56.092 56.100 -0.014 0.000 0.921 18 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 19 R N 1.992 122.486 120.500 -0.011 0.000 2.119 19 R HA -0.129 4.211 4.340 -0.001 0.000 0.246 19 R C 2.048 178.341 176.300 -0.011 0.000 1.146 19 R CA 2.613 58.707 56.100 -0.009 0.000 0.962 19 R CB -0.589 29.707 30.300 -0.007 0.000 0.863 19 R HN 0.510 nan 8.270 nan 0.000 0.442 20 Q N -0.513 119.279 119.800 -0.013 0.000 2.050 20 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 20 Q C 1.972 177.960 176.000 -0.020 0.000 0.980 20 Q CA 1.785 57.578 55.803 -0.015 0.000 0.840 20 Q CB -0.211 28.516 28.738 -0.018 0.000 0.898 20 Q HN 0.361 nan 8.270 nan 0.000 0.424 21 L N 0.863 122.072 121.223 -0.024 0.000 2.012 21 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 21 L C 2.238 179.095 176.870 -0.022 0.000 1.073 21 L CA 1.551 56.374 54.840 -0.028 0.000 0.748 21 L CB -0.466 41.575 42.059 -0.029 0.000 0.891 21 L HN 0.278 nan 8.230 nan 0.000 0.431 22 I N -1.099 119.461 120.570 -0.017 0.000 2.208 22 I HA -0.333 3.836 4.170 -0.001 0.000 0.245 22 I C 2.643 178.753 176.117 -0.012 0.000 1.097 22 I CA 1.288 62.580 61.300 -0.013 0.000 1.363 22 I CB -0.268 37.726 38.000 -0.010 0.000 1.051 22 I HN 0.261 nan 8.210 nan 0.000 0.413 23 R N 0.978 121.471 120.500 -0.011 0.000 2.073 23 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 23 R C 2.166 178.461 176.300 -0.009 0.000 1.134 23 R CA 1.759 57.854 56.100 -0.008 0.000 0.952 23 R CB -0.441 29.855 30.300 -0.007 0.000 0.850 23 R HN 0.389 nan 8.270 nan 0.000 0.433 24 Q N -0.154 119.637 119.800 -0.014 0.000 2.020 24 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 24 Q C 2.212 178.203 176.000 -0.014 0.000 0.982 24 Q CA 1.891 57.684 55.803 -0.016 0.000 0.838 24 Q CB -0.231 28.488 28.738 -0.032 0.000 0.899 24 Q HN 0.328 nan 8.270 nan 0.000 0.423 25 L N 0.421 121.634 121.223 -0.017 0.000 1.990 25 L HA -0.258 4.081 4.340 -0.001 0.000 0.213 25 L C 2.305 179.169 176.870 -0.011 0.000 1.072 25 L CA 1.263 56.094 54.840 -0.015 0.000 0.755 25 L CB -0.596 41.453 42.059 -0.016 0.000 0.889 25 L HN 0.306 nan 8.230 nan 0.000 0.432 26 L N -0.666 120.552 121.223 -0.009 0.000 2.450 26 L HA -0.138 4.201 4.340 -0.001 0.000 0.224 26 L C 1.649 178.516 176.870 -0.004 0.000 1.149 26 L CA 0.575 55.411 54.840 -0.007 0.000 0.816 26 L CB -0.262 41.793 42.059 -0.006 0.000 0.932 26 L HN 0.259 nan 8.230 nan 0.000 0.449 27 E N -0.383 119.815 120.200 -0.003 0.000 2.548 27 E HA 0.128 4.477 4.350 -0.001 0.000 0.206 27 E C 0.293 176.895 176.600 0.004 0.000 1.005 27 E CA -0.090 56.311 56.400 0.001 0.000 0.951 27 E CB 0.297 30.000 29.700 0.004 0.000 1.035 27 E HN 0.291 nan 8.360 nan 0.000 0.470 28 R N 1.700 122.200 120.500 -0.000 0.000 2.594 28 R HA 0.009 4.348 4.340 -0.001 0.000 0.272 28 R C -0.202 176.097 176.300 -0.002 0.000 1.074 28 R CA 0.171 56.272 56.100 0.001 0.000 1.105 28 R CB 0.295 30.592 30.300 -0.006 0.000 1.008 28 R HN -0.154 nan 8.270 nan 0.000 0.472 29 D N 2.022 122.422 120.400 0.000 0.000 2.705 29 D HA -0.161 4.479 4.640 -0.001 0.000 0.240 29 D C -1.453 174.843 176.300 -0.007 0.000 1.137 29 D CA 1.184 55.178 54.000 -0.010 0.000 0.677 29 D CB -0.544 40.240 40.800 -0.026 0.000 1.049 29 D HN 0.529 nan 8.370 nan 0.000 0.427 30 K N 0.862 121.264 120.400 0.003 0.000 2.507 30 K HA 0.431 4.751 4.320 -0.001 0.000 0.253 30 K C -0.658 175.949 176.600 0.010 0.000 0.969 30 K CA -0.670 55.620 56.287 0.005 0.000 0.908 30 K CB 1.639 34.144 32.500 0.007 0.000 1.127 30 K HN 0.002 nan 8.250 nan 0.000 0.437 31 T N 3.949 118.508 114.554 0.008 0.000 2.772 31 T HA 0.246 4.596 4.350 -0.001 0.000 0.288 31 T C -2.410 172.301 174.700 0.017 0.000 0.994 31 T CA -1.767 60.341 62.100 0.013 0.000 0.951 31 T CB 0.880 69.754 68.868 0.010 0.000 0.933 31 T HN 0.254 nan 8.240 nan 0.000 0.447 32 P HA -0.042 nan 4.420 nan 0.000 0.255 32 P C 1.024 178.341 177.300 0.028 0.000 1.141 32 P CA 0.115 63.228 63.100 0.021 0.000 0.767 32 P CB 0.338 32.052 31.700 0.023 0.000 0.726 33 L N 4.118 125.357 121.223 0.026 0.000 2.129 33 L HA -0.306 4.033 4.340 -0.001 0.000 0.212 33 L C 2.125 179.035 176.870 0.065 0.000 1.087 33 L CA 2.136 56.999 54.840 0.038 0.000 0.757 33 L CB -0.480 41.589 42.059 0.017 0.000 0.896 33 L HN 0.456 nan 8.230 nan 0.000 0.434 34 A N 0.125 122.973 122.820 0.047 0.000 1.873 34 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 34 A C 2.145 179.783 177.584 0.090 0.000 1.193 34 A CA 2.279 54.358 52.037 0.070 0.000 0.629 34 A CB -0.883 18.147 19.000 0.050 0.000 0.826 34 A HN 0.487 nan 8.150 nan 0.000 0.447 35 I N -0.282 120.320 120.570 0.054 0.000 2.127 35 I HA -0.315 3.854 4.170 -0.001 0.000 0.241 35 I C 2.484 178.622 176.117 0.034 0.000 1.075 35 I CA 1.496 62.815 61.300 0.032 0.000 1.334 35 I CB -0.453 37.560 38.000 0.021 0.000 1.040 35 I HN 0.342 nan 8.210 nan 0.000 0.405 36 L N -0.340 120.914 121.223 0.053 0.000 1.978 36 L HA -0.295 4.044 4.340 -0.001 0.000 0.218 36 L C 2.610 179.515 176.870 0.060 0.000 1.075 36 L CA 1.762 56.634 54.840 0.053 0.000 0.767 36 L CB -0.890 41.210 42.059 0.068 0.000 0.890 36 L HN 0.193 nan 8.230 nan 0.000 0.434 37 F N -0.097 119.828 119.950 -0.042 0.000 2.161 37 F HA -0.258 4.269 4.527 -0.001 0.000 0.300 37 F C 2.468 178.206 175.800 -0.103 0.000 1.089 37 F CA 1.418 59.383 58.000 -0.058 0.000 1.282 37 F CB -0.016 38.955 39.000 -0.048 0.000 1.010 37 F HN 0.012 nan 8.300 nan 0.000 0.485 38 M N -0.045 119.539 119.600 -0.028 0.000 2.319 38 M HA 0.013 4.492 4.480 -0.001 0.000 0.265 38 M C 2.477 178.652 176.300 -0.208 0.000 1.068 38 M CA 1.231 56.420 55.300 -0.184 0.000 1.118 38 M CB -1.978 30.546 32.600 -0.128 0.000 1.395 38 M HN 0.276 nan 8.290 nan 0.000 0.435 39 A N 0.504 123.244 122.820 -0.132 0.000 1.877 39 A HA 0.003 4.322 4.320 -0.001 0.000 0.216 39 A C 2.473 179.966 177.584 -0.151 0.000 1.186 39 A CA 2.132 54.102 52.037 -0.111 0.000 0.620 39 A CB -1.027 17.942 19.000 -0.052 0.000 0.822 39 A HN 0.433 nan 8.150 nan 0.000 0.443 40 A N -0.322 122.385 122.820 -0.189 0.000 1.903 40 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 40 A C 2.439 179.864 177.584 -0.265 0.000 1.191 40 A CA 2.474 54.378 52.037 -0.222 0.000 0.638 40 A CB -1.352 17.481 19.000 -0.279 0.000 0.823 40 A HN 1.216 nan 8.150 nan 0.000 0.451 41 V N -0.396 119.293 119.914 -0.376 0.000 2.427 41 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 41 V C 2.236 178.200 176.094 -0.217 0.000 1.051 41 V CA 2.504 64.611 62.300 -0.322 0.000 1.048 41 V CB -0.655 30.921 31.823 -0.413 0.000 0.666 41 V HN 0.305 nan 8.190 nan 0.000 0.456 42 V N 1.674 121.465 119.914 -0.205 0.000 2.233 42 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 42 V C 2.932 178.953 176.094 -0.121 0.000 1.050 42 V CA 2.361 64.568 62.300 -0.155 0.000 1.010 42 V CB -1.881 29.859 31.823 -0.139 0.000 0.637 42 V HN 0.640 nan 8.190 nan 0.000 0.444 43 G N -0.040 108.693 108.800 -0.111 0.000 2.529 43 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.219 43 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.219 43 G C 1.672 176.524 174.900 -0.080 0.000 1.177 43 G CA 1.899 46.947 45.100 -0.088 0.000 0.773 43 G HN 0.485 nan 8.290 nan 0.000 0.573 44 T N 1.620 116.121 114.554 -0.089 0.000 2.665 44 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 44 T C 2.378 177.040 174.700 -0.063 0.000 1.035 44 T CA 1.322 63.380 62.100 -0.069 0.000 1.151 44 T CB -0.256 68.561 68.868 -0.084 0.000 0.862 44 T HN 0.180 nan 8.240 nan 0.000 0.438 45 L N 0.705 121.882 121.223 -0.078 0.000 2.027 45 L HA -0.046 4.294 4.340 -0.001 0.000 0.206 45 L C 2.741 179.574 176.870 -0.062 0.000 1.074 45 L CA 1.049 55.850 54.840 -0.065 0.000 0.745 45 L CB -1.029 40.986 42.059 -0.074 0.000 0.898 45 L HN 0.179 nan 8.230 nan 0.000 0.433 46 V N 0.596 120.465 119.914 -0.075 0.000 2.407 46 V HA -0.173 3.946 4.120 -0.001 0.000 0.248 46 V C 2.691 178.738 176.094 -0.078 0.000 1.055 46 V CA 1.828 64.080 62.300 -0.080 0.000 1.049 46 V CB -1.380 30.390 31.823 -0.089 0.000 0.662 46 V HN 0.548 nan 8.190 nan 0.000 0.455 47 G N 0.365 109.125 108.800 -0.066 0.000 2.511 47 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 47 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 47 G C 1.568 176.411 174.900 -0.095 0.000 1.218 47 G CA 1.206 46.275 45.100 -0.052 0.000 0.788 47 G HN 0.452 nan 8.290 nan 0.000 0.560 48 L N 1.019 122.174 121.223 -0.115 0.000 2.013 48 L HA -0.159 4.180 4.340 -0.001 0.000 0.212 48 L C 3.453 180.243 176.870 -0.134 0.000 1.073 48 L CA 1.365 56.094 54.840 -0.185 0.000 0.753 48 L CB -0.528 41.467 42.059 -0.107 0.000 0.890 48 L HN 0.317 nan 8.230 nan 0.000 0.432 49 A N -0.095 122.692 122.820 -0.055 0.000 1.883 49 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 49 A C 2.535 180.082 177.584 -0.060 0.000 1.186 49 A CA 2.092 54.138 52.037 0.015 0.000 0.624 49 A CB -0.903 18.111 19.000 0.022 0.000 0.822 49 A HN 0.426 nan 8.150 nan 0.000 0.444 50 A N -0.625 122.136 122.820 -0.098 0.000 1.902 50 A HA 0.027 4.347 4.320 -0.001 0.000 0.217 50 A C 2.246 179.811 177.584 -0.032 0.000 1.181 50 A CA 1.797 53.780 52.037 -0.090 0.000 0.623 50 A CB -1.048 17.901 19.000 -0.085 0.000 0.818 50 A HN 0.424 nan 8.150 nan 0.000 0.443 51 V N 0.086 119.940 119.914 -0.100 0.000 2.231 51 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 51 V C 3.081 179.084 176.094 -0.152 0.000 1.054 51 V CA 2.267 64.454 62.300 -0.188 0.000 1.015 51 V CB -1.516 29.983 31.823 -0.540 0.000 0.638 51 V HN 0.626 nan 8.190 nan 0.000 0.444 52 A N -0.519 122.212 122.820 -0.147 0.000 1.883 52 A HA -0.284 4.035 4.320 -0.001 0.000 0.217 52 A C 2.141 179.686 177.584 -0.065 0.000 1.186 52 A CA 2.305 54.309 52.037 -0.055 0.000 0.624 52 A CB -0.846 18.191 19.000 0.062 0.000 0.822 52 A HN 0.551 nan 8.150 nan 0.000 0.444 53 F N 0.967 120.715 119.950 -0.336 0.000 2.126 53 F HA -0.233 4.294 4.527 -0.001 0.000 0.299 53 F C 1.877 177.523 175.800 -0.257 0.000 1.096 53 F CA 2.302 59.986 58.000 -0.526 0.000 1.255 53 F CB -0.448 38.133 39.000 -0.699 0.000 0.997 53 F HN 0.409 nan 8.300 nan 0.000 0.479 54 D N -0.127 120.233 120.400 -0.066 0.000 2.092 54 D HA -0.203 4.437 4.640 -0.001 0.000 0.193 54 D C 2.144 178.387 176.300 -0.095 0.000 0.994 54 D CA 1.612 55.580 54.000 -0.053 0.000 0.828 54 D CB -0.019 40.810 40.800 0.049 0.000 0.963 54 D HN 0.096 nan 8.370 nan 0.000 0.450 55 K N 0.135 120.495 120.400 -0.066 0.000 2.063 55 K HA -0.088 4.232 4.320 -0.001 0.000 0.208 55 K C 2.272 178.868 176.600 -0.006 0.000 1.048 55 K CA 1.250 57.532 56.287 -0.008 0.000 0.928 55 K CB -0.917 31.589 32.500 0.011 0.000 0.713 55 K HN 0.292 nan 8.250 nan 0.000 0.442 56 G N 1.536 110.262 108.800 -0.123 0.000 2.514 56 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 56 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 56 G C 1.744 176.583 174.900 -0.101 0.000 1.198 56 G CA 1.230 46.237 45.100 -0.154 0.000 0.780 56 G HN 0.134 nan 8.290 nan 0.000 0.565 57 V N 1.721 121.466 119.914 -0.281 0.000 2.332 57 V HA -0.152 3.967 4.120 -0.001 0.000 0.248 57 V C 3.341 179.418 176.094 -0.027 0.000 1.055 57 V CA 2.065 64.241 62.300 -0.208 0.000 1.038 57 V CB -1.059 30.573 31.823 -0.318 0.000 0.651 57 V HN 0.526 nan 8.190 nan 0.000 0.450 58 A N -0.692 122.128 122.820 0.000 0.000 1.859 58 A HA -0.326 3.993 4.320 -0.001 0.000 0.217 58 A C 1.976 179.628 177.584 0.114 0.000 1.198 58 A CA 2.280 54.352 52.037 0.058 0.000 0.629 58 A CB -1.197 17.838 19.000 0.060 0.000 0.830 58 A HN 0.701 nan 8.150 nan 0.000 0.446 59 W N 0.331 121.603 121.300 -0.046 0.000 2.304 59 W HA -0.256 4.403 4.660 -0.001 0.000 0.315 59 W C 1.870 178.372 176.519 -0.027 0.000 1.233 59 W CA 2.350 59.677 57.345 -0.030 0.000 1.261 59 W CB -0.271 29.171 29.460 -0.030 0.000 1.150 59 W HN 0.303 nan 8.180 nan 0.000 0.494 60 L N -0.306 121.134 121.223 0.362 0.000 2.131 60 L HA -0.161 4.179 4.340 -0.001 0.000 0.206 60 L C 2.480 179.398 176.870 0.080 0.000 1.087 60 L CA 1.297 56.292 54.840 0.257 0.000 0.767 60 L CB -0.968 41.229 42.059 0.231 0.000 0.917 60 L HN -0.012 nan 8.230 nan 0.000 0.441 61 Q N -0.446 119.389 119.800 0.059 0.000 2.224 61 Q HA -0.190 4.150 4.340 -0.001 0.000 0.203 61 Q C 1.941 177.940 176.000 -0.002 0.000 0.970 61 Q CA 1.379 57.203 55.803 0.035 0.000 0.865 61 Q CB -0.171 28.591 28.738 0.040 0.000 0.922 61 Q HN 0.512 nan 8.270 nan 0.000 0.445 62 N N -0.667 118.003 118.700 -0.050 0.000 2.290 62 N HA -0.140 4.599 4.740 -0.001 0.000 0.179 62 N C 1.555 176.957 175.510 -0.181 0.000 1.016 62 N CA 0.287 53.268 53.050 -0.114 0.000 0.871 62 N CB 0.313 38.704 38.487 -0.160 0.000 0.987 62 N HN 0.163 nan 8.380 nan 0.000 0.431 63 Q N 1.216 120.860 119.800 -0.259 0.000 2.045 63 Q HA -0.166 4.174 4.340 -0.001 0.000 0.206 63 Q C 1.994 177.916 176.000 -0.130 0.000 0.991 63 Q CA 1.449 57.093 55.803 -0.265 0.000 0.851 63 Q CB -0.553 28.038 28.738 -0.245 0.000 0.911 63 Q HN 0.418 nan 8.270 nan 0.000 0.418 64 R N -0.165 120.303 120.500 -0.053 0.000 2.105 64 R HA -0.071 4.269 4.340 -0.001 0.000 0.239 64 R C 2.358 178.667 176.300 0.016 0.000 1.135 64 R CA 1.393 57.492 56.100 -0.001 0.000 0.967 64 R CB -0.343 29.981 30.300 0.040 0.000 0.861 64 R HN 0.177 nan 8.270 nan 0.000 0.442 65 M N -0.161 119.444 119.600 0.007 0.000 2.149 65 M HA -0.092 4.388 4.480 -0.001 0.000 0.261 65 M C 2.111 178.417 176.300 0.011 0.000 1.064 65 M CA 1.889 57.208 55.300 0.031 0.000 1.102 65 M CB -0.159 32.444 32.600 0.004 0.000 1.369 65 M HN 0.314 nan 8.290 nan 0.000 0.408 66 G N -1.418 107.346 108.800 -0.060 0.000 2.464 66 G HA2 0.013 3.973 3.960 -0.001 0.000 0.217 66 G HA3 0.013 3.973 3.960 -0.001 0.000 0.217 66 G C 1.475 176.285 174.900 -0.150 0.000 1.138 66 G CA 0.667 45.704 45.100 -0.105 0.000 0.793 66 G HN 0.564 nan 8.290 nan 0.000 0.539 67 A N 0.608 123.354 122.820 -0.123 0.000 1.930 67 A HA 0.244 4.564 4.320 -0.001 0.000 0.215 67 A C 2.270 179.872 177.584 0.029 0.000 1.176 67 A CA 0.620 52.600 52.037 -0.094 0.000 0.632 67 A CB -0.313 18.649 19.000 -0.063 0.000 0.819 67 A HN 0.308 nan 8.150 nan 0.000 0.445 68 L N -0.409 120.850 121.223 0.061 0.000 2.353 68 L HA -0.124 4.215 4.340 -0.001 0.000 0.220 68 L C 2.270 179.239 176.870 0.165 0.000 1.133 68 L CA 0.427 55.342 54.840 0.124 0.000 0.798 68 L CB -0.257 41.944 42.059 0.237 0.000 0.922 68 L HN 0.249 nan 8.230 nan 0.000 0.445 69 V N -1.134 118.866 119.914 0.143 0.000 2.346 69 V HA -0.246 3.873 4.120 -0.001 0.000 0.244 69 V C 2.265 178.483 176.094 0.207 0.000 1.037 69 V CA 1.410 63.807 62.300 0.162 0.000 1.029 69 V CB -0.528 31.380 31.823 0.141 0.000 0.663 69 V HN 0.479 nan 8.190 nan 0.000 0.454 70 H N 0.100 119.189 119.070 0.033 0.000 2.456 70 H HA -0.090 4.466 4.556 -0.001 0.000 0.296 70 H C 1.728 177.071 175.328 0.025 0.000 1.079 70 H CA 1.587 57.649 56.048 0.023 0.000 1.322 70 H CB 0.244 30.014 29.762 0.013 0.000 1.388 70 H HN 0.579 nan 8.280 nan 0.000 0.538 71 T N -2.834 111.808 114.554 0.148 0.000 3.293 71 T HA 0.470 4.819 4.350 -0.001 0.000 0.276 71 T C 1.345 176.096 174.700 0.085 0.000 1.003 71 T CA 0.075 62.226 62.100 0.085 0.000 0.916 71 T CB 0.486 69.386 68.868 0.053 0.000 1.134 71 T HN 0.237 nan 8.240 nan 0.000 0.530 72 A N 1.767 124.651 122.820 0.107 0.000 2.172 72 A HA 0.043 4.363 4.320 -0.001 0.000 0.216 72 A C 1.698 179.355 177.584 0.122 0.000 1.154 72 A CA 0.956 53.074 52.037 0.135 0.000 0.701 72 A CB -0.339 18.741 19.000 0.132 0.000 0.789 72 A HN 0.845 nan 8.150 nan 0.000 0.465 73 D N -0.179 120.274 120.400 0.088 0.000 2.130 73 D HA -0.113 4.527 4.640 -0.001 0.000 0.292 73 D C 0.429 176.789 176.300 0.100 0.000 1.146 73 D CA -0.483 53.563 54.000 0.078 0.000 0.883 73 D CB -1.119 39.711 40.800 0.050 0.000 0.936 73 D HN 0.302 nan 8.370 nan 0.000 0.298 74 N N 0.692 119.439 118.700 0.078 0.000 1.830 74 N HA -0.240 4.499 4.740 -0.001 0.000 0.306 74 N C 0.576 176.157 175.510 0.119 0.000 1.266 74 N CA -0.152 52.947 53.050 0.083 0.000 0.920 74 N CB -0.047 38.465 38.487 0.043 0.000 1.234 74 N HN 0.269 nan 8.380 nan 0.000 0.498 75 Y N 5.773 126.076 120.300 0.005 0.000 2.014 75 Y HA -0.156 4.394 4.550 -0.001 0.000 0.270 75 Y C -0.974 174.906 175.900 -0.034 0.000 1.145 75 Y CA 1.577 59.677 58.100 0.000 0.000 1.106 75 Y CB -1.288 37.187 38.460 0.025 0.000 0.968 75 Y HN 0.558 nan 8.280 nan 0.000 0.484 76 P HA -0.153 nan 4.420 nan 0.000 0.222 76 P C 1.819 179.021 177.300 -0.164 0.000 1.147 76 P CA 1.434 64.387 63.100 -0.246 0.000 0.790 76 P CB -0.236 31.379 31.700 -0.141 0.000 0.780 77 L N -0.036 121.134 121.223 -0.090 0.000 2.056 77 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 77 L C 1.816 178.631 176.870 -0.092 0.000 1.078 77 L CA 1.774 56.574 54.840 -0.068 0.000 0.749 77 L CB -1.514 40.531 42.059 -0.024 0.000 0.901 77 L HN -0.115 nan 8.230 nan 0.000 0.433 78 L N -1.727 119.427 121.223 -0.115 0.000 2.056 78 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 78 L C 2.298 178.973 176.870 -0.325 0.000 1.078 78 L CA 1.727 56.449 54.840 -0.196 0.000 0.749 78 L CB -1.795 40.146 42.059 -0.196 0.000 0.901 78 L HN 0.194 nan 8.230 nan 0.000 0.433 79 L N -0.272 120.729 121.223 -0.370 0.000 2.127 79 L HA -0.179 4.161 4.340 -0.001 0.000 0.211 79 L C 2.469 179.262 176.870 -0.128 0.000 1.089 79 L CA 1.709 56.353 54.840 -0.326 0.000 0.757 79 L CB -1.140 40.698 42.059 -0.368 0.000 0.899 79 L HN 0.435 nan 8.230 nan 0.000 0.434 80 T N -0.223 114.260 114.554 -0.118 0.000 2.732 80 T HA -0.134 4.216 4.350 -0.001 0.000 0.261 80 T C 1.970 176.672 174.700 0.004 0.000 1.040 80 T CA 1.559 63.622 62.100 -0.062 0.000 1.145 80 T CB -0.303 68.503 68.868 -0.104 0.000 0.866 80 T HN 0.344 nan 8.240 nan 0.000 0.427 81 V N 1.358 121.256 119.914 -0.028 0.000 2.392 81 V HA -0.078 4.041 4.120 -0.001 0.000 0.249 81 V C 2.629 178.743 176.094 0.032 0.000 1.059 81 V CA 1.622 63.925 62.300 0.005 0.000 1.051 81 V CB -1.619 30.200 31.823 -0.008 0.000 0.658 81 V HN 0.430 nan 8.190 nan 0.000 0.455 82 A N 0.281 123.093 122.820 -0.013 0.000 1.873 82 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 82 A C 2.114 179.751 177.584 0.089 0.000 1.193 82 A CA 2.279 54.323 52.037 0.012 0.000 0.629 82 A CB -1.078 17.871 19.000 -0.086 0.000 0.826 82 A HN 0.678 nan 8.150 nan 0.000 0.447 83 F N 0.645 120.572 119.950 -0.038 0.000 2.043 83 F HA -0.187 4.340 4.527 -0.001 0.000 0.297 83 F C 2.089 177.892 175.800 0.005 0.000 1.121 83 F CA 1.907 59.900 58.000 -0.012 0.000 1.199 83 F CB -0.494 38.488 39.000 -0.031 0.000 0.968 83 F HN 0.136 nan 8.300 nan 0.000 0.478 84 L N -0.929 120.539 121.223 0.407 0.000 2.141 84 L HA -0.266 4.073 4.340 -0.001 0.000 0.209 84 L C 2.532 179.507 176.870 0.174 0.000 1.094 84 L CA 1.216 56.219 54.840 0.272 0.000 0.763 84 L CB -1.137 40.988 42.059 0.109 0.000 0.908 84 L HN 0.321 nan 8.230 nan 0.000 0.437 85 C N -1.218 118.158 119.300 0.127 0.000 2.453 85 C HA -0.092 4.368 4.460 -0.001 0.000 0.277 85 C C 3.119 178.171 174.990 0.103 0.000 1.262 85 C CA 0.601 59.676 59.018 0.095 0.000 1.718 85 C CB -0.604 27.178 27.740 0.070 0.000 2.031 85 C HN 0.453 nan 8.230 nan 0.000 0.480 86 S N 0.932 116.686 115.700 0.090 0.000 2.348 86 S HA -0.115 4.354 4.470 -0.001 0.000 0.221 86 S C 2.260 176.908 174.600 0.081 0.000 1.033 86 S CA 1.477 59.715 58.200 0.065 0.000 1.010 86 S CB -0.653 62.545 63.200 -0.003 0.000 0.891 86 S HN 0.677 nan 8.310 nan 0.000 0.442 87 A N 1.359 124.233 122.820 0.089 0.000 1.863 87 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 87 A C 2.340 180.016 177.584 0.155 0.000 1.233 87 A CA 2.317 54.441 52.037 0.146 0.000 0.655 87 A CB -1.373 17.819 19.000 0.320 0.000 0.839 87 A HN 0.356 nan 8.150 nan 0.000 0.454 88 V N -0.216 119.791 119.914 0.155 0.000 2.332 88 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 88 V C 2.600 178.810 176.094 0.194 0.000 1.055 88 V CA 2.165 64.556 62.300 0.151 0.000 1.038 88 V CB -0.838 31.055 31.823 0.117 0.000 0.651 88 V HN 0.535 nan 8.190 nan 0.000 0.450 89 L N -0.179 121.151 121.223 0.177 0.000 2.056 89 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 89 L C 2.730 179.786 176.870 0.309 0.000 1.078 89 L CA 1.488 56.455 54.840 0.212 0.000 0.749 89 L CB -0.822 41.327 42.059 0.149 0.000 0.901 89 L HN 0.322 nan 8.230 nan 0.000 0.433 90 A N 0.126 123.108 122.820 0.271 0.000 1.859 90 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 90 A C 2.321 180.171 177.584 0.444 0.000 1.198 90 A CA 2.255 54.506 52.037 0.357 0.000 0.629 90 A CB -0.655 18.504 19.000 0.264 0.000 0.830 90 A HN 0.334 nan 8.150 nan 0.000 0.446 91 M N -2.108 117.662 119.600 0.283 0.000 2.110 91 M HA -0.207 4.273 4.480 -0.001 0.000 0.257 91 M C 2.200 178.712 176.300 0.354 0.000 1.071 91 M CA 2.405 57.853 55.300 0.248 0.000 1.096 91 M CB -0.753 31.940 32.600 0.154 0.000 1.300 91 M HN 0.509 nan 8.290 nan 0.000 0.411 92 F N 1.025 121.108 119.950 0.220 0.000 2.184 92 F HA -0.182 4.345 4.527 -0.001 0.000 0.301 92 F C 2.020 178.003 175.800 0.306 0.000 1.076 92 F CA 1.773 59.923 58.000 0.251 0.000 1.295 92 F CB -0.589 38.529 39.000 0.197 0.000 1.026 92 F HN 0.081 nan 8.300 nan 0.000 0.494 93 G N -1.278 107.795 108.800 0.455 0.000 2.425 93 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.213 93 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.213 93 G C 1.332 176.333 174.900 0.169 0.000 1.201 93 G CA 0.694 45.984 45.100 0.317 0.000 0.799 93 G HN 0.412 nan 8.290 nan 0.000 0.534 94 Y N 0.009 120.365 120.300 0.093 0.000 2.193 94 Y HA -0.094 4.456 4.550 -0.001 0.000 0.285 94 Y C 2.332 178.178 175.900 -0.091 0.000 1.166 94 Y CA 1.328 59.419 58.100 -0.014 0.000 1.181 94 Y CB -0.588 37.905 38.460 0.054 0.000 0.976 94 Y HN 0.257 nan 8.280 nan 0.000 0.520 95 F N -0.218 119.748 119.950 0.026 0.000 2.000 95 F HA -0.256 4.271 4.527 -0.001 0.000 0.295 95 F C 2.249 177.969 175.800 -0.134 0.000 1.159 95 F CA 1.276 59.222 58.000 -0.091 0.000 1.171 95 F CB -0.683 38.261 39.000 -0.093 0.000 0.971 95 F HN -0.138 nan 8.300 nan 0.000 0.479 96 L N 0.397 121.434 121.223 -0.311 0.000 2.198 96 L HA -0.307 4.032 4.340 -0.001 0.000 0.218 96 L C 2.280 179.032 176.870 -0.197 0.000 1.084 96 L CA 1.659 56.334 54.840 -0.275 0.000 0.779 96 L CB -1.258 40.676 42.059 -0.209 0.000 0.890 96 L HN 0.241 nan 8.230 nan 0.000 0.439 97 V N -0.866 118.922 119.914 -0.210 0.000 2.273 97 V HA -0.179 3.940 4.120 -0.001 0.000 0.242 97 V C 2.630 178.529 176.094 -0.325 0.000 1.035 97 V CA 1.216 63.383 62.300 -0.221 0.000 1.013 97 V CB -0.420 31.265 31.823 -0.231 0.000 0.652 97 V HN 0.373 nan 8.190 nan 0.000 0.452 98 R N 0.486 120.722 120.500 -0.440 0.000 2.083 98 R HA -0.189 4.150 4.340 -0.001 0.000 0.237 98 R C 2.251 178.268 176.300 -0.472 0.000 1.137 98 R CA 1.705 57.501 56.100 -0.506 0.000 0.951 98 R CB -0.597 29.382 30.300 -0.535 0.000 0.851 98 R HN 0.375 nan 8.270 nan 0.000 0.434 99 K N -0.552 119.453 120.400 -0.657 0.000 2.228 99 K HA -0.076 4.243 4.320 -0.001 0.000 0.202 99 K C 0.853 176.880 176.600 -0.955 0.000 1.051 99 K CA 1.267 57.002 56.287 -0.919 0.000 0.960 99 K CB 0.174 31.725 32.500 -1.582 0.000 0.743 99 K HN 0.209 nan 8.250 nan 0.000 0.458 100 Y N -2.199 117.897 120.300 -0.340 0.000 2.476 100 Y HA 0.483 5.032 4.550 -0.001 0.000 0.261 100 Y C -0.425 175.380 175.900 -0.159 0.000 1.077 100 Y CA -0.227 57.743 58.100 -0.216 0.000 1.240 100 Y CB 1.560 39.904 38.460 -0.194 0.000 1.317 100 Y HN 0.012 nan 8.280 nan 0.000 0.540 101 A N 0.120 122.902 122.820 -0.063 0.000 2.664 101 A HA 0.416 4.736 4.320 -0.001 0.000 0.300 101 A C -2.630 174.882 177.584 -0.119 0.000 1.210 101 A CA -0.757 51.236 52.037 -0.072 0.000 0.863 101 A CB 0.263 19.235 19.000 -0.047 0.000 1.464 101 A HN -0.053 nan 8.150 nan 0.000 0.438 102 P HA -0.171 nan 4.420 nan 0.000 0.220 102 P C 1.326 178.562 177.300 -0.105 0.000 1.148 102 P CA 1.678 64.680 63.100 -0.163 0.000 0.803 102 P CB 0.196 31.809 31.700 -0.145 0.000 0.782 103 E N 0.376 120.529 120.200 -0.077 0.000 2.160 103 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 103 E C 1.449 178.015 176.600 -0.057 0.000 0.991 103 E CA 1.213 57.579 56.400 -0.057 0.000 0.810 103 E CB -0.979 28.688 29.700 -0.056 0.000 0.742 103 E HN 0.123 nan 8.360 nan 0.000 0.466 104 A N 1.536 124.314 122.820 -0.069 0.000 2.412 104 A HA 0.352 4.672 4.320 -0.001 0.000 0.253 104 A C 0.780 178.323 177.584 -0.068 0.000 1.334 104 A CA 0.144 52.146 52.037 -0.058 0.000 0.929 104 A CB -0.338 18.635 19.000 -0.045 0.000 0.983 104 A HN 0.274 nan 8.150 nan 0.000 0.508 105 G N -2.189 106.560 108.800 -0.085 0.000 2.488 105 G HA2 0.588 4.547 3.960 -0.001 0.000 0.318 105 G HA3 0.588 4.547 3.960 -0.001 0.000 0.318 105 G C 0.680 175.547 174.900 -0.055 0.000 1.188 105 G CA 0.097 45.134 45.100 -0.104 0.000 0.944 105 G HN 1.384 nan 8.290 nan 0.000 0.495 106 G N -0.255 108.505 108.800 -0.066 0.000 2.564 106 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.273 106 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.273 106 G C 1.589 176.605 174.900 0.194 0.000 1.242 106 G CA 1.178 46.245 45.100 -0.055 0.000 0.951 106 G HN 1.856 nan 8.290 nan 0.000 0.564 107 S N -0.373 115.593 115.700 0.443 0.000 2.343 107 S HA 0.295 4.765 4.470 -0.001 0.000 0.212 107 S C 2.487 177.159 174.600 0.119 0.000 1.033 107 S CA 3.269 61.706 58.200 0.395 0.000 1.004 107 S CB -0.656 62.823 63.200 0.465 0.000 0.977 107 S HN 2.920 nan 8.310 nan 0.000 0.427 108 G N -0.035 108.795 108.800 0.049 0.000 2.201 108 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.212 108 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.212 108 G C 0.745 175.597 174.900 -0.081 0.000 0.994 108 G CA 0.333 45.419 45.100 -0.023 0.000 0.644 108 G HN 0.536 nan 8.290 nan 0.000 0.508 109 I N 1.900 122.368 120.570 -0.171 0.000 2.202 109 I HA -0.026 4.143 4.170 -0.001 0.000 0.242 109 I C 0.692 176.672 176.117 -0.228 0.000 1.091 109 I CA 1.818 62.948 61.300 -0.284 0.000 1.368 109 I CB -0.525 37.077 38.000 -0.664 0.000 1.058 109 I HN 0.219 nan 8.210 nan 0.000 0.410 110 P HA -0.161 nan 4.420 nan 0.000 0.217 110 P C 1.396 178.682 177.300 -0.025 0.000 1.151 110 P CA 1.419 64.491 63.100 -0.048 0.000 0.828 110 P CB 0.064 31.796 31.700 0.053 0.000 0.788 111 E N 0.094 120.278 120.200 -0.027 0.000 2.114 111 E HA -0.169 4.181 4.350 -0.001 0.000 0.199 111 E C 2.000 178.581 176.600 -0.031 0.000 1.008 111 E CA 1.236 57.622 56.400 -0.024 0.000 0.810 111 E CB -0.847 28.835 29.700 -0.029 0.000 0.739 111 E HN 0.149 nan 8.360 nan 0.000 0.456 112 I N 0.351 120.891 120.570 -0.051 0.000 2.480 112 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 112 I C 2.020 178.110 176.117 -0.045 0.000 1.124 112 I CA 0.887 62.158 61.300 -0.048 0.000 1.444 112 I CB -0.916 37.047 38.000 -0.060 0.000 1.098 112 I HN 0.213 nan 8.210 nan 0.000 0.428 113 E N 1.219 121.383 120.200 -0.059 0.000 2.085 113 E HA -0.183 4.166 4.350 -0.001 0.000 0.194 113 E C 2.270 178.861 176.600 -0.014 0.000 0.994 113 E CA 1.389 57.759 56.400 -0.051 0.000 0.801 113 E CB -0.273 29.403 29.700 -0.041 0.000 0.743 113 E HN 0.554 nan 8.360 nan 0.000 0.453 114 G N 1.389 110.190 108.800 0.002 0.000 2.459 114 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 114 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 114 G C 1.738 176.653 174.900 0.025 0.000 1.183 114 G CA 1.099 46.210 45.100 0.019 0.000 0.776 114 G HN 0.363 nan 8.290 nan 0.000 0.552 115 A N 0.456 123.287 122.820 0.017 0.000 1.997 115 A HA -0.036 4.284 4.320 -0.001 0.000 0.221 115 A C 2.444 180.071 177.584 0.072 0.000 1.172 115 A CA 1.598 53.654 52.037 0.032 0.000 0.645 115 A CB -0.434 18.575 19.000 0.014 0.000 0.813 115 A HN 0.380 nan 8.150 nan 0.000 0.454 116 L N -0.798 120.458 121.223 0.055 0.000 2.141 116 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 116 L C 2.141 179.045 176.870 0.057 0.000 1.094 116 L CA 1.124 56.011 54.840 0.078 0.000 0.763 116 L CB -0.288 41.754 42.059 -0.028 0.000 0.908 116 L HN 0.298 nan 8.230 nan 0.000 0.437 117 E N -0.334 119.889 120.200 0.040 0.000 2.502 117 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 117 E C -0.235 176.419 176.600 0.089 0.000 1.062 117 E CA 0.225 56.651 56.400 0.043 0.000 0.867 117 E CB -0.049 29.677 29.700 0.042 0.000 0.888 117 E HN 0.363 nan 8.360 nan 0.000 0.510 118 D N 0.746 121.219 120.400 0.121 0.000 2.772 118 D HA -0.178 4.461 4.640 -0.001 0.000 0.233 118 D C 0.390 176.727 176.300 0.061 0.000 1.143 118 D CA 0.494 54.552 54.000 0.097 0.000 0.700 118 D CB -0.600 40.267 40.800 0.112 0.000 1.076 118 D HN 0.283 nan 8.370 nan 0.000 0.430 119 Q N -0.780 119.050 119.800 0.050 0.000 2.164 119 Q HA 0.153 4.493 4.340 -0.001 0.000 0.226 119 Q C 0.484 176.502 176.000 0.029 0.000 0.813 119 Q CA 0.263 56.088 55.803 0.038 0.000 0.978 119 Q CB 1.306 30.066 28.738 0.036 0.000 1.149 119 Q HN 0.275 nan 8.270 nan 0.000 0.489 120 R N 0.691 121.208 120.500 0.027 0.000 2.707 120 R HA 0.548 4.887 4.340 -0.001 0.000 0.272 120 R C -2.743 173.565 176.300 0.014 0.000 1.011 120 R CA -1.696 54.414 56.100 0.016 0.000 0.893 120 R CB 1.124 31.429 30.300 0.007 0.000 1.233 120 R HN -0.097 nan 8.270 nan 0.000 0.464 121 P HA 0.323 nan 4.420 nan 0.000 0.287 121 P C -0.352 176.922 177.300 -0.044 0.000 1.270 121 P CA -0.696 62.405 63.100 0.001 0.000 0.844 121 P CB 0.962 32.672 31.700 0.016 0.000 1.068 122 V N 2.380 122.261 119.914 -0.055 0.000 2.154 122 V HA 0.276 4.396 4.120 -0.001 0.000 0.265 122 V C 0.826 176.724 176.094 -0.327 0.000 1.293 122 V CA -0.474 61.766 62.300 -0.100 0.000 1.205 122 V CB -0.951 30.870 31.823 -0.004 0.000 1.306 122 V HN 0.407 nan 8.190 nan 0.000 0.479 123 R N 3.755 123.966 120.500 -0.482 0.000 2.853 123 R HA 0.063 4.402 4.340 -0.001 0.000 0.238 123 R C 1.255 176.823 176.300 -1.220 0.000 1.538 123 R CA -0.128 55.287 56.100 -1.141 0.000 1.166 123 R CB 0.139 30.074 30.300 -0.609 0.000 1.201 123 R HN 0.914 nan 8.270 nan 0.000 0.606 124 W N 2.496 123.061 121.300 -1.225 0.000 2.378 124 W HA -0.204 4.456 4.660 -0.000 0.000 0.313 124 W C 0.976 177.251 176.519 -0.406 0.000 1.197 124 W CA 0.589 57.581 57.345 -0.588 0.000 1.304 124 W CB -1.327 27.949 29.460 -0.306 0.000 1.148 124 W HN 0.551 nan 8.180 nan 0.000 0.494 125 W N 1.991 123.028 121.300 -0.438 0.000 2.240 125 W HA -0.269 4.391 4.660 -0.001 0.000 0.297 125 W C 2.006 178.453 176.519 -0.120 0.000 1.239 125 W CA 2.223 59.349 57.345 -0.366 0.000 1.245 125 W CB -1.562 27.470 29.460 -0.713 0.000 1.129 125 W HN -0.098 nan 8.180 nan 0.000 0.543 126 R N 0.128 120.471 120.500 -0.263 0.000 2.072 126 R HA 0.078 4.418 4.340 -0.001 0.000 0.214 126 R C 2.328 178.596 176.300 -0.053 0.000 1.168 126 R CA 1.054 57.100 56.100 -0.091 0.000 1.020 126 R CB -0.884 29.352 30.300 -0.108 0.000 0.914 126 R HN 0.149 nan 8.270 nan 0.000 0.449 127 V N 2.514 122.366 119.914 -0.104 0.000 2.237 127 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 127 V C 2.471 178.598 176.094 0.054 0.000 1.046 127 V CA 1.743 64.022 62.300 -0.035 0.000 1.007 127 V CB -0.669 31.111 31.823 -0.072 0.000 0.638 127 V HN 0.229 nan 8.190 nan 0.000 0.445 128 L N 0.444 121.722 121.223 0.090 0.000 2.012 128 L HA -0.238 4.102 4.340 -0.001 0.000 0.236 128 L C 0.278 177.290 176.870 0.237 0.000 1.099 128 L CA 2.571 57.509 54.840 0.164 0.000 0.821 128 L CB -2.410 39.767 42.059 0.196 0.000 0.918 128 L HN 0.341 nan 8.230 nan 0.000 0.445 129 P HA -0.120 nan 4.420 nan 0.000 0.218 129 P C 1.896 179.426 177.300 0.383 0.000 1.148 129 P CA 1.329 64.630 63.100 0.336 0.000 0.822 129 P CB -0.012 31.763 31.700 0.125 0.000 0.784 130 V N 0.141 120.172 119.914 0.195 0.000 2.323 130 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 130 V C 2.682 178.892 176.094 0.193 0.000 1.041 130 V CA 1.892 64.283 62.300 0.151 0.000 1.025 130 V CB -0.943 30.909 31.823 0.048 0.000 0.656 130 V HN 0.045 nan 8.190 nan 0.000 0.451 131 K N -0.025 120.464 120.400 0.149 0.000 2.025 131 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 131 K C 1.856 178.555 176.600 0.165 0.000 1.049 131 K CA 1.489 57.834 56.287 0.097 0.000 0.933 131 K CB -0.746 31.756 32.500 0.003 0.000 0.714 131 K HN 0.263 nan 8.250 nan 0.000 0.438 132 F N 0.361 120.331 119.950 0.033 0.000 2.005 132 F HA -0.255 4.271 4.527 -0.001 0.000 0.297 132 F C 1.822 177.673 175.800 0.085 0.000 1.175 132 F CA 2.110 60.111 58.000 0.002 0.000 1.192 132 F CB -0.899 37.990 39.000 -0.185 0.000 0.953 132 F HN 0.051 nan 8.300 nan 0.000 0.504 133 F N 0.294 120.657 119.950 0.688 0.000 2.293 133 F HA 0.002 4.528 4.527 -0.001 0.000 0.300 133 F C 2.557 178.642 175.800 0.474 0.000 1.086 133 F CA 0.960 59.282 58.000 0.536 0.000 1.375 133 F CB -1.393 37.858 39.000 0.419 0.000 1.045 133 F HN 0.132 nan 8.300 nan 0.000 0.516 134 G N 0.074 109.167 108.800 0.487 0.000 2.404 134 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.215 134 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.215 134 G C 2.032 177.111 174.900 0.299 0.000 1.174 134 G CA 0.800 46.093 45.100 0.322 0.000 0.780 134 G HN 0.467 nan 8.290 nan 0.000 0.537 135 G N 0.896 109.879 108.800 0.306 0.000 2.414 135 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.215 135 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.215 135 G C 1.722 176.776 174.900 0.256 0.000 1.188 135 G CA 0.814 46.118 45.100 0.340 0.000 0.783 135 G HN 0.301 nan 8.290 nan 0.000 0.537 136 L N 1.599 122.932 121.223 0.184 0.000 2.171 136 L HA -0.110 4.230 4.340 -0.001 0.000 0.216 136 L C 2.905 179.825 176.870 0.082 0.000 1.084 136 L CA 1.928 56.737 54.840 -0.052 0.000 0.771 136 L CB -0.695 41.379 42.059 0.026 0.000 0.890 136 L HN 0.289 nan 8.230 nan 0.000 0.437 137 G N -2.157 106.781 108.800 0.231 0.000 2.404 137 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.213 137 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.213 137 G C 1.550 176.580 174.900 0.217 0.000 1.189 137 G CA 0.947 46.208 45.100 0.269 0.000 0.796 137 G HN 0.447 nan 8.290 nan 0.000 0.532 138 T N 0.440 115.120 114.554 0.210 0.000 2.812 138 T HA 0.110 4.460 4.350 -0.001 0.000 0.264 138 T C 2.432 177.217 174.700 0.143 0.000 1.042 138 T CA 0.673 62.884 62.100 0.185 0.000 1.140 138 T CB -0.241 68.717 68.868 0.150 0.000 0.870 138 T HN 0.118 nan 8.240 nan 0.000 0.445 139 L N 1.059 122.354 121.223 0.119 0.000 2.023 139 L HA 0.141 4.481 4.340 -0.001 0.000 0.205 139 L C 3.141 180.037 176.870 0.043 0.000 1.073 139 L CA 1.465 56.352 54.840 0.077 0.000 0.745 139 L CB -1.207 40.885 42.059 0.054 0.000 0.900 139 L HN 0.452 nan 8.230 nan 0.000 0.435 140 G N -0.577 108.234 108.800 0.018 0.000 2.586 140 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.215 140 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.215 140 G C 1.310 176.253 174.900 0.071 0.000 1.128 140 G CA 0.687 45.806 45.100 0.031 0.000 0.774 140 G HN 0.518 nan 8.290 nan 0.000 0.543 141 G N -0.996 107.857 108.800 0.088 0.000 3.126 141 G HA2 0.403 4.362 3.960 -0.001 0.000 0.224 141 G HA3 0.403 4.362 3.960 -0.001 0.000 0.224 141 G C 1.037 175.986 174.900 0.081 0.000 1.142 141 G CA 0.354 45.509 45.100 0.092 0.000 0.759 141 G HN 1.267 nan 8.290 nan 0.000 0.550 142 G N 0.342 109.189 108.800 0.078 0.000 2.165 142 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.226 142 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.226 142 G C 0.329 175.276 174.900 0.078 0.000 1.035 142 G CA 0.025 45.169 45.100 0.074 0.000 0.744 142 G HN 0.361 nan 8.290 nan 0.000 0.501 143 M N -0.065 119.591 119.600 0.092 0.000 2.242 143 M HA 0.258 4.737 4.480 -0.001 0.000 0.344 143 M C 1.320 177.678 176.300 0.098 0.000 1.140 143 M CA -0.256 55.108 55.300 0.107 0.000 1.160 143 M CB 1.319 34.004 32.600 0.141 0.000 1.491 143 M HN -0.081 nan 8.290 nan 0.000 0.459 144 V N 5.155 125.132 119.914 0.104 0.000 2.085 144 V HA 0.054 4.174 4.120 -0.001 0.000 0.282 144 V C 0.045 176.206 176.094 0.113 0.000 1.787 144 V CA 0.576 62.933 62.300 0.096 0.000 1.715 144 V CB -1.854 30.032 31.823 0.105 0.000 1.501 144 V HN 0.547 nan 8.190 nan 0.000 0.506 145 L N 0.244 121.529 121.223 0.103 0.000 2.371 145 L HA 0.805 5.144 4.340 -0.001 0.000 0.262 145 L C 0.833 177.748 176.870 0.075 0.000 1.006 145 L CA -0.585 54.328 54.840 0.121 0.000 0.818 145 L CB 1.801 43.960 42.059 0.166 0.000 1.354 145 L HN 0.352 nan 8.230 nan 0.000 0.415 146 G N 0.036 108.882 108.800 0.078 0.000 2.525 146 G HA2 0.402 4.361 3.960 -0.001 0.000 0.287 146 G HA3 0.402 4.361 3.960 -0.001 0.000 0.287 146 G C 0.323 175.257 174.900 0.057 0.000 1.350 146 G CA -0.388 44.739 45.100 0.044 0.000 1.039 146 G HN 0.695 nan 8.290 nan 0.000 0.513 147 R N -0.957 119.541 120.500 -0.004 0.000 2.308 147 R HA 0.114 4.454 4.340 -0.001 0.000 0.202 147 R C 2.169 178.347 176.300 -0.202 0.000 0.898 147 R CA 0.407 56.491 56.100 -0.026 0.000 1.046 147 R CB 0.338 30.643 30.300 0.008 0.000 1.026 147 R HN 0.544 nan 8.270 nan 0.000 0.512 148 E N 0.590 120.658 120.200 -0.220 0.000 2.031 148 E HA -0.096 4.253 4.350 -0.001 0.000 0.193 148 E C 1.893 178.418 176.600 -0.124 0.000 0.994 148 E CA 1.377 57.632 56.400 -0.243 0.000 0.800 148 E CB -0.954 28.610 29.700 -0.228 0.000 0.752 148 E HN 0.285 nan 8.360 nan 0.000 0.447 149 G N 2.254 111.047 108.800 -0.012 0.000 2.908 149 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.218 149 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.218 149 G C -0.842 173.992 174.900 -0.111 0.000 1.311 149 G CA 1.664 46.766 45.100 0.004 0.000 0.787 149 G HN 0.281 nan 8.290 nan 0.000 0.700 150 P HA -0.206 nan 4.420 nan 0.000 0.218 150 P C 2.393 179.435 177.300 -0.430 0.000 1.165 150 P CA 3.122 65.997 63.100 -0.374 0.000 0.922 150 P CB -0.598 30.694 31.700 -0.681 0.000 0.794 151 T N -3.615 110.662 114.554 -0.461 0.000 2.867 151 T HA -0.086 4.264 4.350 -0.001 0.000 0.268 151 T C 1.847 176.407 174.700 -0.233 0.000 1.057 151 T CA 1.123 62.995 62.100 -0.380 0.000 1.136 151 T CB -1.402 67.261 68.868 -0.342 0.000 0.874 151 T HN -0.115 nan 8.240 nan 0.000 0.466 152 V N 1.463 121.269 119.914 -0.179 0.000 2.307 152 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 152 V C 2.950 178.989 176.094 -0.092 0.000 1.045 152 V CA 1.967 64.207 62.300 -0.099 0.000 1.024 152 V CB -0.726 31.080 31.823 -0.029 0.000 0.651 152 V HN 0.521 nan 8.190 nan 0.000 0.449 153 Q N -0.316 119.423 119.800 -0.102 0.000 1.967 153 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 153 Q C 2.287 178.232 176.000 -0.093 0.000 0.985 153 Q CA 2.321 58.071 55.803 -0.088 0.000 0.839 153 Q CB -0.272 28.416 28.738 -0.083 0.000 0.906 153 Q HN 0.583 nan 8.270 nan 0.000 0.423 154 I N 0.478 120.972 120.570 -0.126 0.000 2.229 154 I HA -0.327 3.842 4.170 -0.001 0.000 0.250 154 I C 2.173 178.235 176.117 -0.092 0.000 1.096 154 I CA 1.377 62.613 61.300 -0.106 0.000 1.358 154 I CB -0.507 37.388 38.000 -0.176 0.000 1.047 154 I HN 0.437 nan 8.210 nan 0.000 0.422 155 G N -0.115 108.618 108.800 -0.110 0.000 2.404 155 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.215 155 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.215 155 G C 1.702 176.552 174.900 -0.083 0.000 1.174 155 G CA 0.720 45.762 45.100 -0.097 0.000 0.780 155 G HN 0.495 nan 8.290 nan 0.000 0.537 156 G N 1.172 109.928 108.800 -0.072 0.000 2.446 156 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 156 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 156 G C 1.722 176.584 174.900 -0.063 0.000 1.168 156 G CA 1.272 46.336 45.100 -0.061 0.000 0.771 156 G HN 0.461 nan 8.290 nan 0.000 0.551 157 N N 0.655 119.322 118.700 -0.054 0.000 2.104 157 N HA -0.076 4.664 4.740 -0.001 0.000 0.190 157 N C 2.071 177.506 175.510 -0.125 0.000 1.024 157 N CA 0.799 53.827 53.050 -0.036 0.000 0.853 157 N CB -0.184 38.315 38.487 0.019 0.000 1.008 157 N HN 0.199 nan 8.380 nan 0.000 0.424 158 I N 0.422 120.921 120.570 -0.119 0.000 2.264 158 I HA -0.164 4.006 4.170 -0.001 0.000 0.248 158 I C 2.217 178.212 176.117 -0.203 0.000 1.111 158 I CA 1.412 62.613 61.300 -0.164 0.000 1.382 158 I CB -1.423 36.511 38.000 -0.111 0.000 1.060 158 I HN 0.221 nan 8.210 nan 0.000 0.418 159 G N 0.222 108.931 108.800 -0.151 0.000 2.403 159 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 159 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 159 G C 1.834 176.649 174.900 -0.141 0.000 1.154 159 G CA 0.554 45.574 45.100 -0.134 0.000 0.784 159 G HN 0.227 nan 8.290 nan 0.000 0.538 160 R N 0.262 120.676 120.500 -0.144 0.000 2.070 160 R HA 0.075 4.414 4.340 -0.001 0.000 0.233 160 R C 2.483 178.601 176.300 -0.304 0.000 1.137 160 R CA 1.830 57.860 56.100 -0.117 0.000 0.945 160 R CB -0.698 29.600 30.300 -0.005 0.000 0.845 160 R HN 0.335 nan 8.270 nan 0.000 0.430 161 M N 0.099 119.246 119.600 -0.754 0.000 2.106 161 M HA -0.152 4.327 4.480 -0.001 0.000 0.259 161 M C 1.855 177.808 176.300 -0.578 0.000 1.068 161 M CA 2.358 56.841 55.300 -1.361 0.000 1.100 161 M CB -0.127 31.556 32.600 -1.527 0.000 1.351 161 M HN 0.206 nan 8.290 nan 0.000 0.404 162 V N -0.207 119.516 119.914 -0.318 0.000 3.306 162 V HA -0.085 4.035 4.120 -0.001 0.000 0.264 162 V C 1.840 177.923 176.094 -0.017 0.000 1.149 162 V CA 1.027 63.258 62.300 -0.116 0.000 1.143 162 V CB -0.545 31.160 31.823 -0.196 0.000 0.767 162 V HN 0.593 nan 8.190 nan 0.000 0.476 163 L N 0.795 121.988 121.223 -0.050 0.000 2.044 163 L HA 0.051 4.390 4.340 -0.001 0.000 0.205 163 L C 2.135 179.069 176.870 0.105 0.000 1.075 163 L CA 2.388 57.243 54.840 0.025 0.000 0.747 163 L CB -0.744 41.318 42.059 0.004 0.000 0.903 163 L HN 0.280 nan 8.230 nan 0.000 0.435 164 D N 0.250 120.718 120.400 0.114 0.000 2.096 164 D HA -0.201 4.438 4.640 -0.001 0.000 0.200 164 D C 2.267 178.681 176.300 0.191 0.000 0.980 164 D CA 2.179 56.309 54.000 0.216 0.000 0.860 164 D CB -0.475 40.591 40.800 0.443 0.000 1.005 164 D HN 0.391 nan 8.370 nan 0.000 0.449 165 I N -0.229 120.439 120.570 0.163 0.000 2.358 165 I HA -0.307 3.862 4.170 -0.001 0.000 0.257 165 I C 1.600 177.760 176.117 0.073 0.000 1.123 165 I CA 1.201 62.582 61.300 0.134 0.000 1.393 165 I CB -0.209 37.863 38.000 0.120 0.000 1.073 165 I HN -0.018 nan 8.210 nan 0.000 0.437 166 F N -0.372 119.588 119.950 0.016 0.000 2.678 166 F HA 0.263 4.789 4.527 -0.001 0.000 0.305 166 F C 0.992 176.810 175.800 0.030 0.000 1.090 166 F CA -0.351 57.664 58.000 0.025 0.000 1.272 166 F CB 0.257 39.273 39.000 0.027 0.000 1.060 166 F HN -0.184 nan 8.300 nan 0.000 0.576 167 R N 0.930 121.531 120.500 0.169 0.000 3.416 167 R HA -0.202 4.138 4.340 -0.001 0.000 0.263 167 R C -0.621 175.742 176.300 0.106 0.000 1.053 167 R CA 0.058 56.225 56.100 0.112 0.000 0.705 167 R CB -2.363 27.978 30.300 0.067 0.000 1.124 167 R HN 0.279 nan 8.270 nan 0.000 0.444 168 L N 0.747 122.041 121.223 0.119 0.000 2.410 168 L HA 0.155 4.495 4.340 -0.001 0.000 0.273 168 L C 0.866 177.767 176.870 0.053 0.000 1.152 168 L CA 0.542 55.432 54.840 0.084 0.000 0.855 168 L CB 0.637 42.739 42.059 0.071 0.000 1.129 168 L HN 0.084 nan 8.230 nan 0.000 0.463 169 K N 2.091 122.516 120.400 0.041 0.000 2.207 169 K HA 0.761 5.081 4.320 -0.001 0.000 0.255 169 K C -0.339 176.270 176.600 0.014 0.000 0.941 169 K CA -0.230 56.073 56.287 0.027 0.000 0.825 169 K CB 1.785 34.302 32.500 0.029 0.000 1.119 169 K HN 0.755 nan 8.250 nan 0.000 0.430 170 G N 2.533 111.334 108.800 0.001 0.000 2.375 170 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.663 170 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.663 170 G C -0.412 174.464 174.900 -0.040 0.000 1.391 170 G CA -0.751 44.346 45.100 -0.006 0.000 0.949 170 G HN 0.627 nan 8.290 nan 0.000 0.646 171 D N -0.383 119.996 120.400 -0.034 0.000 2.117 171 D HA -0.009 4.630 4.640 -0.001 0.000 0.198 171 D C 2.039 178.304 176.300 -0.058 0.000 0.982 171 D CA 1.501 55.451 54.000 -0.082 0.000 0.828 171 D CB 0.097 40.915 40.800 0.031 0.000 0.967 171 D HN 0.596 nan 8.370 nan 0.000 0.464 172 E N 0.276 120.484 120.200 0.015 0.000 2.013 172 E HA -0.226 4.124 4.350 -0.001 0.000 0.202 172 E C 1.950 178.550 176.600 0.001 0.000 1.018 172 E CA 1.257 57.675 56.400 0.030 0.000 0.834 172 E CB -0.144 29.572 29.700 0.027 0.000 0.770 172 E HN 0.179 nan 8.360 nan 0.000 0.459 173 A N 0.639 123.452 122.820 -0.011 0.000 2.139 173 A HA -0.233 4.086 4.320 -0.001 0.000 0.221 173 A C 2.059 179.618 177.584 -0.043 0.000 1.159 173 A CA 1.717 53.744 52.037 -0.016 0.000 0.662 173 A CB -0.479 18.520 19.000 -0.002 0.000 0.796 173 A HN 0.198 nan 8.150 nan 0.000 0.463 174 R N -2.274 118.165 120.500 -0.101 0.000 2.146 174 R HA 0.078 4.418 4.340 -0.001 0.000 0.206 174 R C 1.869 178.075 176.300 -0.157 0.000 1.049 174 R CA 0.896 56.902 56.100 -0.156 0.000 1.029 174 R CB -0.092 30.058 30.300 -0.251 0.000 0.949 174 R HN 0.751 nan 8.270 nan 0.000 0.471 175 H N -1.313 117.742 119.070 -0.025 0.000 2.372 175 H HA 0.059 4.614 4.556 -0.001 0.000 0.301 175 H C 1.791 177.092 175.328 -0.046 0.000 1.065 175 H CA 1.554 57.577 56.048 -0.042 0.000 1.364 175 H CB 0.221 29.947 29.762 -0.060 0.000 1.406 175 H HN 0.073 nan 8.280 nan 0.000 0.521 176 T N 1.486 116.085 114.554 0.075 0.000 2.555 176 T HA -0.160 4.189 4.350 -0.001 0.000 0.264 176 T C 2.031 176.732 174.700 0.000 0.000 1.083 176 T CA 1.292 63.406 62.100 0.024 0.000 1.179 176 T CB -0.398 68.478 68.868 0.012 0.000 0.863 176 T HN 0.197 nan 8.240 nan 0.000 0.412 177 L N 0.527 121.740 121.223 -0.017 0.000 2.353 177 L HA -0.032 4.308 4.340 -0.001 0.000 0.220 177 L C 2.409 179.254 176.870 -0.042 0.000 1.133 177 L CA 0.688 55.503 54.840 -0.041 0.000 0.798 177 L CB -0.661 41.363 42.059 -0.057 0.000 0.922 177 L HN 0.229 nan 8.230 nan 0.000 0.445 178 L N 0.048 121.259 121.223 -0.021 0.000 2.127 178 L HA 0.021 4.360 4.340 -0.001 0.000 0.203 178 L C 2.613 179.470 176.870 -0.021 0.000 1.080 178 L CA 1.641 56.470 54.840 -0.018 0.000 0.768 178 L CB -0.385 41.681 42.059 0.011 0.000 0.924 178 L HN 0.085 nan 8.230 nan 0.000 0.444 179 A N -1.068 121.746 122.820 -0.011 0.000 1.872 179 A HA -0.165 4.155 4.320 -0.001 0.000 0.214 179 A C 2.390 179.962 177.584 -0.021 0.000 1.187 179 A CA 2.003 54.027 52.037 -0.022 0.000 0.614 179 A CB -1.355 17.633 19.000 -0.020 0.000 0.826 179 A HN 0.560 nan 8.150 nan 0.000 0.442 180 T N -1.865 112.679 114.554 -0.017 0.000 2.720 180 T HA -0.053 4.297 4.350 -0.001 0.000 0.268 180 T C 1.938 176.616 174.700 -0.038 0.000 1.037 180 T CA 2.066 64.154 62.100 -0.018 0.000 1.144 180 T CB -1.079 67.777 68.868 -0.020 0.000 0.864 180 T HN 0.460 nan 8.240 nan 0.000 0.444 181 G N 1.130 109.899 108.800 -0.052 0.000 2.469 181 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.219 181 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.219 181 G C 1.944 176.809 174.900 -0.058 0.000 1.150 181 G CA 1.043 46.104 45.100 -0.065 0.000 0.763 181 G HN 0.837 nan 8.290 nan 0.000 0.561 182 A N 0.691 123.486 122.820 -0.043 0.000 1.968 182 A HA 0.461 4.780 4.320 -0.001 0.000 0.217 182 A C 2.728 180.310 177.584 -0.003 0.000 1.169 182 A CA 1.885 53.903 52.037 -0.030 0.000 0.638 182 A CB -0.510 18.471 19.000 -0.032 0.000 0.812 182 A HN 0.664 nan 8.150 nan 0.000 0.446 183 A N 0.127 122.947 122.820 -0.001 0.000 1.832 183 A HA 0.242 4.562 4.320 -0.001 0.000 0.214 183 A C 2.512 180.079 177.584 -0.028 0.000 1.204 183 A CA 1.887 53.935 52.037 0.017 0.000 0.606 183 A CB -1.340 17.671 19.000 0.018 0.000 0.849 183 A HN 1.178 nan 8.150 nan 0.000 0.445 184 A N -0.572 122.219 122.820 -0.048 0.000 2.067 184 A HA -0.104 4.216 4.320 -0.001 0.000 0.224 184 A C 2.298 179.829 177.584 -0.090 0.000 1.172 184 A CA 2.397 54.392 52.037 -0.071 0.000 0.662 184 A CB -1.415 17.543 19.000 -0.071 0.000 0.814 184 A HN 0.859 nan 8.150 nan 0.000 0.468 185 G N -0.991 107.756 108.800 -0.088 0.000 2.394 185 G HA2 0.012 3.971 3.960 -0.001 0.000 0.215 185 G HA3 0.012 3.971 3.960 -0.001 0.000 0.215 185 G C 1.486 176.290 174.900 -0.160 0.000 1.165 185 G CA 0.986 46.011 45.100 -0.125 0.000 0.784 185 G HN 0.498 nan 8.290 nan 0.000 0.535 186 L N 0.904 122.056 121.223 -0.117 0.000 2.068 186 L HA 0.313 4.653 4.340 -0.001 0.000 0.204 186 L C 3.140 179.924 176.870 -0.144 0.000 1.076 186 L CA 1.809 56.555 54.840 -0.156 0.000 0.753 186 L CB -0.490 41.514 42.059 -0.091 0.000 0.910 186 L HN 0.219 nan 8.230 nan 0.000 0.439 187 A N 0.072 122.826 122.820 -0.109 0.000 1.869 187 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 187 A C 2.365 179.824 177.584 -0.210 0.000 1.203 187 A CA 2.345 54.304 52.037 -0.130 0.000 0.638 187 A CB -1.477 17.453 19.000 -0.118 0.000 0.831 187 A HN 0.564 nan 8.150 nan 0.000 0.450 188 A N -1.076 121.629 122.820 -0.193 0.000 2.216 188 A HA 0.316 4.635 4.320 -0.001 0.000 0.214 188 A C 2.135 179.543 177.584 -0.294 0.000 1.160 188 A CA 1.655 53.567 52.037 -0.209 0.000 0.725 188 A CB -0.657 18.300 19.000 -0.071 0.000 0.784 188 A HN 1.115 nan 8.150 nan 0.000 0.472 189 A N -2.271 120.331 122.820 -0.365 0.000 2.132 189 A HA 0.437 4.756 4.320 -0.001 0.000 0.213 189 A C 1.274 178.418 177.584 -0.734 0.000 1.154 189 A CA 0.645 52.362 52.037 -0.534 0.000 0.753 189 A CB -0.161 18.417 19.000 -0.702 0.000 0.826 189 A HN 0.502 nan 8.150 nan 0.000 0.469 190 F N -2.110 117.651 119.950 -0.314 0.000 2.856 190 F HA 0.211 4.738 4.527 -0.001 0.000 0.338 190 F C 0.772 176.310 175.800 -0.436 0.000 1.100 190 F CA -0.092 57.715 58.000 -0.322 0.000 1.150 190 F CB 0.585 39.434 39.000 -0.251 0.000 1.101 190 F HN 0.215 nan 8.300 nan 0.000 0.548 191 N N 1.918 120.305 118.700 -0.521 0.000 2.735 191 N HA -0.230 4.510 4.740 -0.001 0.000 0.248 191 N C -0.568 174.806 175.510 -0.227 0.000 1.083 191 N CA 0.726 53.448 53.050 -0.546 0.000 0.703 191 N CB -0.876 37.289 38.487 -0.536 0.000 1.005 191 N HN 0.320 nan 8.380 nan 0.000 0.550 192 A N -0.076 122.648 122.820 -0.159 0.000 2.938 192 A HA 0.508 4.828 4.320 -0.001 0.000 0.344 192 A C -1.094 176.421 177.584 -0.115 0.000 1.142 192 A CA -0.888 51.082 52.037 -0.111 0.000 0.841 192 A CB 0.904 19.854 19.000 -0.083 0.000 1.083 192 A HN 0.192 nan 8.150 nan 0.000 0.479 193 P HA -0.242 nan 4.420 nan 0.000 0.214 193 P C 1.625 178.822 177.300 -0.172 0.000 1.169 193 P CA 1.205 64.204 63.100 -0.169 0.000 0.908 193 P CB 0.060 31.640 31.700 -0.199 0.000 0.791 194 L N -0.854 120.278 121.223 -0.151 0.000 2.042 194 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 194 L C 2.800 179.642 176.870 -0.047 0.000 1.076 194 L CA 1.777 56.552 54.840 -0.107 0.000 0.749 194 L CB -1.468 40.546 42.059 -0.074 0.000 0.893 194 L HN -0.046 nan 8.230 nan 0.000 0.432 195 A N 0.649 123.437 122.820 -0.053 0.000 1.908 195 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 195 A C 2.425 180.022 177.584 0.022 0.000 1.181 195 A CA 1.830 53.849 52.037 -0.029 0.000 0.627 195 A CB -1.340 17.605 19.000 -0.092 0.000 0.818 195 A HN 0.449 nan 8.150 nan 0.000 0.445 196 G N 0.421 109.217 108.800 -0.008 0.000 2.586 196 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.218 196 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.218 196 G C 1.473 176.425 174.900 0.087 0.000 1.216 196 G CA 1.455 46.575 45.100 0.033 0.000 0.786 196 G HN 0.507 nan 8.290 nan 0.000 0.583 197 I N 0.394 120.984 120.570 0.034 0.000 2.226 197 I HA -0.109 4.061 4.170 -0.001 0.000 0.245 197 I C 2.572 178.761 176.117 0.120 0.000 1.100 197 I CA 0.468 61.819 61.300 0.086 0.000 1.374 197 I CB -0.273 37.797 38.000 0.117 0.000 1.057 197 I HN 0.055 nan 8.210 nan 0.000 0.413 198 L N -0.365 120.929 121.223 0.119 0.000 2.083 198 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 198 L C 2.501 179.493 176.870 0.203 0.000 1.083 198 L CA 1.855 56.774 54.840 0.132 0.000 0.752 198 L CB -1.217 40.903 42.059 0.102 0.000 0.899 198 L HN 0.243 nan 8.230 nan 0.000 0.433 199 F N 0.696 120.671 119.950 0.042 0.000 2.095 199 F HA -0.250 4.276 4.527 -0.001 0.000 0.298 199 F C 2.383 178.214 175.800 0.052 0.000 1.104 199 F CA 1.040 59.082 58.000 0.070 0.000 1.232 199 F CB -0.435 38.613 39.000 0.081 0.000 0.987 199 F HN -0.038 nan 8.300 nan 0.000 0.475 200 I N 1.155 121.725 120.570 -0.001 0.000 2.068 200 I HA -0.282 3.888 4.170 -0.001 0.000 0.238 200 I C 1.928 177.979 176.117 -0.109 0.000 1.046 200 I CA 1.868 63.097 61.300 -0.118 0.000 1.306 200 I CB -0.956 37.027 38.000 -0.028 0.000 1.023 200 I HN 0.249 nan 8.210 nan 0.000 0.399 201 I N -2.281 118.273 120.570 -0.025 0.000 3.731 201 I HA 0.202 4.371 4.170 -0.001 0.000 0.316 201 I C 1.010 177.114 176.117 -0.022 0.000 1.395 201 I CA 0.603 61.886 61.300 -0.029 0.000 1.294 201 I CB -0.309 37.691 38.000 0.001 0.000 1.238 201 I HN 0.334 nan 8.210 nan 0.000 0.437 202 E N 0.836 121.011 120.200 -0.041 0.000 2.537 202 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 202 E C 0.910 177.484 176.600 -0.043 0.000 0.987 202 E CA 0.442 56.835 56.400 -0.012 0.000 1.607 202 E CB 0.623 30.365 29.700 0.070 0.000 2.499 202 E HN 0.584 nan 8.360 nan 0.000 1.073 203 E N -0.694 119.429 120.200 -0.129 0.000 3.293 203 E HA 0.155 4.505 4.350 -0.001 0.000 0.218 203 E C 1.711 178.136 176.600 -0.292 0.000 1.112 203 E CA 0.324 56.619 56.400 -0.175 0.000 1.642 203 E CB -0.003 29.632 29.700 -0.108 0.000 1.630 203 E HN -0.036 nan 8.360 nan 0.000 0.820 204 M N 1.746 121.059 119.600 -0.478 0.000 2.077 204 M HA 0.031 4.510 4.480 -0.001 0.000 0.261 204 M C 0.915 177.082 176.300 -0.221 0.000 1.070 204 M CA 1.163 56.233 55.300 -0.383 0.000 1.125 204 M CB -1.267 31.079 32.600 -0.423 0.000 1.339 204 M HN 0.096 nan 8.290 nan 0.000 0.409 205 R N 1.726 122.108 120.500 -0.197 0.000 2.697 205 R HA 0.055 4.394 4.340 -0.001 0.000 0.265 205 R C -2.471 173.728 176.300 -0.168 0.000 1.009 205 R CA -1.019 54.977 56.100 -0.173 0.000 1.099 205 R CB -1.379 28.825 30.300 -0.160 0.000 0.965 205 R HN 0.007 nan 8.270 nan 0.000 0.428 206 P HA -0.139 nan 4.420 nan 0.000 0.252 206 P C -0.415 176.793 177.300 -0.152 0.000 1.147 206 P CA 0.643 63.670 63.100 -0.123 0.000 0.779 206 P CB 0.434 32.038 31.700 -0.159 0.000 0.733 207 Q N 2.331 121.996 119.800 -0.225 0.000 2.378 207 Q HA 0.030 4.370 4.340 -0.001 0.000 0.205 207 Q C 0.607 176.193 176.000 -0.690 0.000 0.954 207 Q CA 1.510 56.980 55.803 -0.555 0.000 0.901 207 Q CB -0.101 28.107 28.738 -0.884 0.000 0.981 207 Q HN 0.460 nan 8.270 nan 0.000 0.483 208 F N -1.193 118.748 119.950 -0.015 0.000 2.746 208 F HA 0.290 4.817 4.527 -0.001 0.000 0.313 208 F C 0.373 176.179 175.800 0.011 0.000 1.095 208 F CA -0.575 57.425 58.000 0.001 0.000 1.224 208 F CB 0.550 39.551 39.000 0.003 0.000 1.060 208 F HN -0.140 nan 8.300 nan 0.000 0.584 209 R N -1.126 119.456 120.500 0.137 0.000 2.807 209 R HA 0.409 4.749 4.340 -0.001 0.000 0.276 209 R C -1.042 175.300 176.300 0.070 0.000 0.979 209 R CA -0.886 55.278 56.100 0.107 0.000 0.928 209 R CB 0.711 31.066 30.300 0.092 0.000 1.191 209 R HN -0.023 nan 8.270 nan 0.000 0.471 210 Y N 1.637 121.933 120.300 -0.007 0.000 2.683 210 Y HA 0.166 4.715 4.550 -0.001 0.000 0.340 210 Y C -0.738 175.137 175.900 -0.042 0.000 1.245 210 Y CA 1.065 59.151 58.100 -0.024 0.000 1.485 210 Y CB 0.764 39.218 38.460 -0.009 0.000 1.328 210 Y HN 0.828 nan 8.280 nan 0.000 0.603 211 T N 4.956 118.901 114.554 -1.015 0.000 2.804 211 T HA 0.476 4.826 4.350 -0.001 0.000 0.290 211 T C -0.866 173.312 174.700 -0.870 0.000 1.099 211 T CA -0.926 60.715 62.100 -0.766 0.000 1.011 211 T CB 1.236 69.790 68.868 -0.523 0.000 1.291 211 T HN 0.371 nan 8.240 nan 0.000 0.523 212 L N 0.554 121.551 121.223 -0.377 0.000 3.030 212 L HA 0.493 4.833 4.340 -0.001 0.000 0.252 212 L C -0.584 176.243 176.870 -0.071 0.000 1.316 212 L CA 0.006 54.742 54.840 -0.173 0.000 0.975 212 L CB -0.826 41.225 42.059 -0.013 0.000 1.357 212 L HN 0.464 nan 8.230 nan 0.000 0.534 213 I N -0.210 120.287 120.570 -0.121 0.000 2.322 213 I HA 0.168 4.338 4.170 -0.001 0.000 0.292 213 I C 0.905 177.000 176.117 -0.036 0.000 1.060 213 I CA 0.030 61.298 61.300 -0.054 0.000 1.309 213 I CB 1.154 39.109 38.000 -0.075 0.000 1.415 213 I HN 0.227 nan 8.210 nan 0.000 0.492 214 S N 6.099 121.792 115.700 -0.011 0.000 2.430 214 S HA 0.280 4.749 4.470 -0.001 0.000 0.282 214 S C 1.332 175.927 174.600 -0.009 0.000 1.186 214 S CA -0.394 57.801 58.200 -0.008 0.000 1.060 214 S CB 0.203 63.404 63.200 0.001 0.000 0.966 214 S HN 0.581 nan 8.310 nan 0.000 0.501 215 I N 5.035 125.590 120.570 -0.025 0.000 2.226 215 I HA -0.158 4.012 4.170 -0.001 0.000 0.245 215 I C 2.545 178.632 176.117 -0.049 0.000 1.100 215 I CA 1.179 62.462 61.300 -0.029 0.000 1.374 215 I CB -0.155 37.802 38.000 -0.072 0.000 1.057 215 I HN 0.701 nan 8.210 nan 0.000 0.413 216 K N 1.042 121.378 120.400 -0.106 0.000 2.113 216 K HA -0.245 4.075 4.320 -0.001 0.000 0.208 216 K C 2.027 178.640 176.600 0.022 0.000 1.047 216 K CA 1.640 57.867 56.287 -0.101 0.000 0.928 216 K CB -0.082 32.365 32.500 -0.088 0.000 0.716 216 K HN 0.355 nan 8.250 nan 0.000 0.446 217 A N 0.403 123.237 122.820 0.023 0.000 1.897 217 A HA -0.059 4.260 4.320 -0.001 0.000 0.215 217 A C 2.187 179.807 177.584 0.060 0.000 1.181 217 A CA 1.304 53.361 52.037 0.035 0.000 0.620 217 A CB -0.421 18.588 19.000 0.015 0.000 0.821 217 A HN 0.158 nan 8.150 nan 0.000 0.443 218 V N -0.983 118.981 119.914 0.082 0.000 2.343 218 V HA -0.230 3.890 4.120 -0.001 0.000 0.247 218 V C 2.251 178.445 176.094 0.167 0.000 1.051 218 V CA 1.884 64.244 62.300 0.100 0.000 1.036 218 V CB -1.017 30.864 31.823 0.096 0.000 0.654 218 V HN 0.495 nan 8.190 nan 0.000 0.451 219 F N 0.390 120.327 119.950 -0.022 0.000 2.011 219 F HA -0.215 4.311 4.527 -0.001 0.000 0.296 219 F C 2.304 178.087 175.800 -0.027 0.000 1.144 219 F CA 1.778 59.765 58.000 -0.021 0.000 1.185 219 F CB -0.827 38.163 39.000 -0.016 0.000 0.961 219 F HN 0.021 nan 8.300 nan 0.000 0.485 220 I N -0.326 120.356 120.570 0.188 0.000 2.229 220 I HA -0.360 3.810 4.170 -0.001 0.000 0.250 220 I C 2.605 178.723 176.117 0.001 0.000 1.096 220 I CA 1.520 62.861 61.300 0.068 0.000 1.358 220 I CB -1.456 36.570 38.000 0.043 0.000 1.047 220 I HN 0.285 nan 8.210 nan 0.000 0.422 221 G N 0.855 109.654 108.800 -0.002 0.000 2.453 221 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.215 221 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.215 221 G C 1.678 176.547 174.900 -0.053 0.000 1.201 221 G CA 1.058 46.134 45.100 -0.040 0.000 0.784 221 G HN 0.252 nan 8.290 nan 0.000 0.545 222 V N 1.226 121.105 119.914 -0.058 0.000 2.287 222 V HA -0.214 3.906 4.120 -0.001 0.000 0.248 222 V C 2.788 178.820 176.094 -0.104 0.000 1.053 222 V CA 1.745 63.987 62.300 -0.097 0.000 1.027 222 V CB -0.559 31.178 31.823 -0.143 0.000 0.646 222 V HN 0.383 nan 8.190 nan 0.000 0.447 223 I N -0.719 119.786 120.570 -0.108 0.000 2.087 223 I HA -0.355 3.815 4.170 -0.001 0.000 0.240 223 I C 2.641 178.730 176.117 -0.047 0.000 1.054 223 I CA 1.900 63.152 61.300 -0.080 0.000 1.311 223 I CB -0.390 37.582 38.000 -0.046 0.000 1.024 223 I HN 0.244 nan 8.210 nan 0.000 0.402 224 M N -0.015 119.559 119.600 -0.043 0.000 2.080 224 M HA -0.207 4.272 4.480 -0.001 0.000 0.260 224 M C 2.621 178.908 176.300 -0.021 0.000 1.068 224 M CA 2.277 57.556 55.300 -0.036 0.000 1.109 224 M CB -1.830 30.734 32.600 -0.059 0.000 1.342 224 M HN 0.448 nan 8.290 nan 0.000 0.405 225 S N -0.909 114.771 115.700 -0.034 0.000 2.406 225 S HA -0.096 4.374 4.470 -0.001 0.000 0.228 225 S C 1.934 176.545 174.600 0.018 0.000 1.020 225 S CA 1.690 59.877 58.200 -0.022 0.000 0.965 225 S CB -0.381 62.788 63.200 -0.051 0.000 0.798 225 S HN 0.476 nan 8.310 nan 0.000 0.488 226 T N 2.643 117.196 114.554 -0.001 0.000 2.770 226 T HA 0.151 4.501 4.350 -0.001 0.000 0.263 226 T C 1.711 176.470 174.700 0.099 0.000 1.039 226 T CA 1.439 63.557 62.100 0.029 0.000 1.142 226 T CB -0.436 68.411 68.868 -0.035 0.000 0.868 226 T HN 0.413 nan 8.240 nan 0.000 0.435 227 I N 1.028 121.631 120.570 0.054 0.000 2.194 227 I HA -0.249 3.920 4.170 -0.001 0.000 0.246 227 I C 2.524 178.709 176.117 0.113 0.000 1.093 227 I CA 1.112 62.450 61.300 0.064 0.000 1.355 227 I CB -0.380 37.636 38.000 0.027 0.000 1.046 227 I HN 0.226 nan 8.210 nan 0.000 0.413 228 M N -0.365 119.303 119.600 0.114 0.000 2.080 228 M HA -0.261 4.218 4.480 -0.001 0.000 0.260 228 M C 2.458 178.892 176.300 0.224 0.000 1.068 228 M CA 1.934 57.328 55.300 0.157 0.000 1.109 228 M CB -1.438 31.198 32.600 0.059 0.000 1.342 228 M HN 0.281 nan 8.290 nan 0.000 0.405 229 Y N 1.060 121.398 120.300 0.063 0.000 2.181 229 Y HA -0.188 4.361 4.550 -0.001 0.000 0.288 229 Y C 2.363 178.354 175.900 0.151 0.000 1.146 229 Y CA 1.661 59.803 58.100 0.070 0.000 1.164 229 Y CB -0.054 38.411 38.460 0.008 0.000 0.982 229 Y HN 0.098 nan 8.280 nan 0.000 0.515 230 R N 0.376 121.029 120.500 0.255 0.000 2.115 230 R HA -0.116 4.223 4.340 -0.001 0.000 0.230 230 R C 2.277 178.653 176.300 0.127 0.000 1.111 230 R CA 1.525 57.731 56.100 0.177 0.000 0.976 230 R CB -0.786 29.607 30.300 0.155 0.000 0.870 230 R HN 0.486 nan 8.270 nan 0.000 0.445 231 I N -0.048 120.607 120.570 0.142 0.000 2.361 231 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 231 I C 1.305 177.421 176.117 -0.002 0.000 1.133 231 I CA 1.424 62.739 61.300 0.026 0.000 1.413 231 I CB -0.096 37.921 38.000 0.029 0.000 1.073 231 I HN 0.007 nan 8.210 nan 0.000 0.424 232 F N -0.374 119.571 119.950 -0.010 0.000 2.717 232 F HA 0.142 4.669 4.527 -0.001 0.000 0.295 232 F C 1.432 177.143 175.800 -0.148 0.000 1.117 232 F CA 0.250 58.221 58.000 -0.049 0.000 1.361 232 F CB -0.030 38.914 39.000 -0.093 0.000 1.112 232 F HN 0.024 nan 8.300 nan 0.000 0.594 233 N N -0.700 117.944 118.700 -0.093 0.000 2.241 233 N HA 0.032 4.772 4.740 -0.001 0.000 0.238 233 N C -0.232 175.178 175.510 -0.167 0.000 1.244 233 N CA -0.110 52.758 53.050 -0.304 0.000 0.880 233 N CB -0.201 37.774 38.487 -0.853 0.000 1.179 233 N HN 0.402 nan 8.380 nan 0.000 0.513 234 H N 1.164 120.174 119.070 -0.101 0.000 2.913 234 H HA 0.068 4.624 4.556 -0.001 0.000 0.365 234 H C 0.213 175.527 175.328 -0.023 0.000 1.155 234 H CA 0.189 56.217 56.048 -0.034 0.000 1.417 234 H CB 0.320 30.065 29.762 -0.029 0.000 1.386 234 H HN -0.045 nan 8.280 nan 0.000 0.614 235 E N -0.988 119.229 120.200 0.027 0.000 2.389 235 E HA -0.170 4.179 4.350 -0.001 0.000 0.243 235 E C -1.060 175.511 176.600 -0.049 0.000 1.154 235 E CA 0.771 57.158 56.400 -0.022 0.000 0.723 235 E CB -2.286 27.386 29.700 -0.047 0.000 1.261 235 E HN 0.398 nan 8.360 nan 0.000 0.390 236 V N -0.361 119.543 119.914 -0.017 0.000 2.716 236 V HA 0.495 4.614 4.120 -0.001 0.000 0.284 236 V C 0.058 176.172 176.094 0.033 0.000 1.129 236 V CA -0.302 61.994 62.300 -0.007 0.000 0.926 236 V CB 1.766 33.572 31.823 -0.028 0.000 1.051 236 V HN 0.459 nan 8.190 nan 0.000 0.458 237 A N 4.293 127.127 122.820 0.022 0.000 2.340 237 A HA 0.746 5.066 4.320 -0.001 0.000 0.268 237 A C 0.941 178.519 177.584 -0.011 0.000 1.100 237 A CA -0.254 51.792 52.037 0.016 0.000 0.803 237 A CB 0.630 19.627 19.000 -0.006 0.000 1.043 237 A HN 0.879 nan 8.150 nan 0.000 0.488 238 L N 0.999 122.189 121.223 -0.056 0.000 2.072 238 L HA 0.023 4.362 4.340 -0.001 0.000 0.205 238 L C 0.050 176.808 176.870 -0.187 0.000 1.079 238 L CA 1.169 55.912 54.840 -0.162 0.000 0.752 238 L CB -0.319 41.524 42.059 -0.360 0.000 0.906 238 L HN 0.598 nan 8.230 nan 0.000 0.436 239 I N -0.614 119.857 120.570 -0.164 0.000 2.410 239 I HA 0.224 4.393 4.170 -0.001 0.000 0.286 239 I C -0.846 175.243 176.117 -0.048 0.000 1.009 239 I CA -0.472 60.776 61.300 -0.087 0.000 1.111 239 I CB 1.707 39.659 38.000 -0.080 0.000 1.262 239 I HN -0.134 nan 8.210 nan 0.000 0.443 240 D N 4.920 125.308 120.400 -0.021 0.000 2.168 240 D HA 0.458 5.098 4.640 -0.001 0.000 0.246 240 D C 0.035 176.330 176.300 -0.008 0.000 1.050 240 D CA -0.095 53.897 54.000 -0.014 0.000 0.857 240 D CB 2.626 43.421 40.800 -0.008 0.000 1.169 240 D HN 0.273 nan 8.370 nan 0.000 0.453 241 V N 1.831 121.738 119.914 -0.011 0.000 3.356 241 V HA 0.280 4.399 4.120 -0.001 0.000 0.274 241 V C 0.822 176.910 176.094 -0.009 0.000 1.631 241 V CA 0.563 62.858 62.300 -0.008 0.000 1.025 241 V CB 0.094 31.912 31.823 -0.008 0.000 0.840 241 V HN 0.913 nan 8.190 nan 0.000 0.419 242 G N 1.788 110.582 108.800 -0.010 0.000 2.877 242 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.279 242 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.279 242 G C -0.345 174.548 174.900 -0.011 0.000 1.431 242 G CA 0.201 45.296 45.100 -0.009 0.000 0.883 242 G HN 0.508 nan 8.290 nan 0.000 0.547 243 K N 0.554 120.949 120.400 -0.009 0.000 2.338 243 K HA 0.455 4.774 4.320 -0.001 0.000 0.290 243 K C 1.126 177.718 176.600 -0.013 0.000 1.069 243 K CA -0.389 55.892 56.287 -0.011 0.000 0.941 243 K CB 0.026 32.522 32.500 -0.008 0.000 1.023 243 K HN 0.461 nan 8.250 nan 0.000 0.477 244 L N 2.466 123.677 121.223 -0.020 0.000 2.470 244 L HA 0.142 4.482 4.340 -0.001 0.000 0.243 244 L C 1.061 177.918 176.870 -0.022 0.000 1.227 244 L CA 0.202 55.031 54.840 -0.019 0.000 0.824 244 L CB 0.793 42.833 42.059 -0.031 0.000 1.175 244 L HN 0.972 nan 8.230 nan 0.000 0.503 245 S N -0.284 115.408 115.700 -0.013 0.000 2.625 245 S HA 0.151 4.620 4.470 -0.001 0.000 0.258 245 S C -0.348 174.227 174.600 -0.042 0.000 1.256 245 S CA -0.616 57.577 58.200 -0.012 0.000 0.983 245 S CB 0.959 64.169 63.200 0.017 0.000 1.032 245 S HN 0.532 nan 8.310 nan 0.000 0.572 246 D N -0.057 120.319 120.400 -0.040 0.000 2.442 246 D HA 0.714 5.354 4.640 -0.001 0.000 0.254 246 D C -0.846 175.411 176.300 -0.072 0.000 1.069 246 D CA -0.305 53.651 54.000 -0.073 0.000 1.017 246 D CB 1.315 42.077 40.800 -0.063 0.000 1.172 246 D HN 0.815 nan 8.370 nan 0.000 0.561 247 A N 0.853 123.609 122.820 -0.107 0.000 2.310 247 A HA 0.628 4.948 4.320 -0.001 0.000 0.304 247 A C -2.486 175.056 177.584 -0.069 0.000 1.231 247 A CA -1.226 50.759 52.037 -0.086 0.000 0.799 247 A CB 0.400 19.300 19.000 -0.167 0.000 1.162 247 A HN 0.301 nan 8.150 nan 0.000 0.486 248 P HA 0.227 nan 4.420 nan 0.000 0.272 248 P C 1.040 178.320 177.300 -0.033 0.000 1.223 248 P CA -0.518 62.563 63.100 -0.032 0.000 0.784 248 P CB 0.598 32.292 31.700 -0.010 0.000 0.923 249 L N 1.061 122.273 121.223 -0.019 0.000 2.079 249 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 249 L C 1.723 178.609 176.870 0.026 0.000 1.081 249 L CA 1.548 56.387 54.840 -0.001 0.000 0.752 249 L CB -0.943 41.117 42.059 0.002 0.000 0.896 249 L HN 0.538 nan 8.230 nan 0.000 0.433 250 N N -1.283 117.426 118.700 0.015 0.000 2.501 250 N HA -0.103 4.637 4.740 -0.001 0.000 0.195 250 N C 1.038 176.502 175.510 -0.078 0.000 1.213 250 N CA 0.716 53.791 53.050 0.040 0.000 0.864 250 N CB -0.073 38.474 38.487 0.099 0.000 0.999 250 N HN 0.092 nan 8.380 nan 0.000 0.454 251 T N -0.095 114.376 114.554 -0.137 0.000 2.975 251 T HA 0.336 4.686 4.350 -0.001 0.000 0.257 251 T C 1.602 176.230 174.700 -0.121 0.000 1.003 251 T CA -0.379 61.514 62.100 -0.345 0.000 0.932 251 T CB 0.336 69.022 68.868 -0.303 0.000 1.087 251 T HN 0.071 nan 8.240 nan 0.000 0.512 252 L N 1.230 122.516 121.223 0.104 0.000 2.017 252 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 252 L C 2.813 179.798 176.870 0.193 0.000 1.073 252 L CA 1.493 56.458 54.840 0.208 0.000 0.745 252 L CB -0.572 41.563 42.059 0.128 0.000 0.894 252 L HN 0.567 nan 8.230 nan 0.000 0.432 253 W N 0.578 121.895 121.300 0.028 0.000 2.313 253 W HA -0.253 4.406 4.660 -0.001 0.000 0.293 253 W C 1.765 178.316 176.519 0.054 0.000 1.216 253 W CA 0.868 58.231 57.345 0.030 0.000 1.223 253 W CB -1.471 27.987 29.460 -0.003 0.000 1.138 253 W HN 0.183 nan 8.180 nan 0.000 0.535 254 L N -0.179 120.575 121.223 -0.782 0.000 2.083 254 L HA -0.241 4.099 4.340 -0.001 0.000 0.209 254 L C 2.666 179.403 176.870 -0.222 0.000 1.083 254 L CA 1.764 56.199 54.840 -0.675 0.000 0.752 254 L CB -1.058 40.550 42.059 -0.752 0.000 0.899 254 L HN -0.097 nan 8.230 nan 0.000 0.433 255 Y N -0.900 119.401 120.300 0.000 0.000 2.373 255 Y HA -0.214 4.336 4.550 -0.001 0.000 0.293 255 Y C 2.247 178.114 175.900 -0.055 0.000 1.129 255 Y CA 0.565 58.659 58.100 -0.010 0.000 1.226 255 Y CB -0.126 38.286 38.460 -0.080 0.000 1.000 255 Y HN 0.104 nan 8.280 nan 0.000 0.549 256 L N -0.044 121.245 121.223 0.110 0.000 2.072 256 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 256 L C 1.963 178.860 176.870 0.046 0.000 1.079 256 L CA 1.508 56.399 54.840 0.085 0.000 0.752 256 L CB -0.646 41.492 42.059 0.131 0.000 0.906 256 L HN 0.181 nan 8.230 nan 0.000 0.436 257 I N -0.916 119.675 120.570 0.034 0.000 2.179 257 I HA -0.292 3.878 4.170 -0.001 0.000 0.242 257 I C 2.361 178.371 176.117 -0.178 0.000 1.088 257 I CA 1.312 62.620 61.300 0.014 0.000 1.357 257 I CB -0.320 37.750 38.000 0.117 0.000 1.051 257 I HN 0.346 nan 8.210 nan 0.000 0.409 258 L N 0.903 121.848 121.223 -0.463 0.000 2.042 258 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 258 L C 2.319 179.119 176.870 -0.117 0.000 1.076 258 L CA 2.305 56.739 54.840 -0.676 0.000 0.749 258 L CB -1.222 40.364 42.059 -0.789 0.000 0.893 258 L HN 0.219 nan 8.230 nan 0.000 0.432 259 G N -0.330 108.446 108.800 -0.040 0.000 2.418 259 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 259 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 259 G C 1.611 176.552 174.900 0.068 0.000 1.158 259 G CA 1.199 46.317 45.100 0.030 0.000 0.771 259 G HN 0.497 nan 8.290 nan 0.000 0.545 260 I N 0.623 121.216 120.570 0.039 0.000 2.163 260 I HA -0.165 4.005 4.170 -0.001 0.000 0.243 260 I C 2.666 178.813 176.117 0.050 0.000 1.085 260 I CA 0.855 62.187 61.300 0.054 0.000 1.347 260 I CB -0.204 37.832 38.000 0.061 0.000 1.044 260 I HN 0.140 nan 8.210 nan 0.000 0.408 261 I N -0.073 120.497 120.570 -0.000 0.000 2.208 261 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 261 I C 2.390 178.476 176.117 -0.053 0.000 1.097 261 I CA 1.758 63.025 61.300 -0.054 0.000 1.363 261 I CB -0.381 37.518 38.000 -0.169 0.000 1.051 261 I HN 0.108 nan 8.210 nan 0.000 0.413 262 F N 0.863 120.772 119.950 -0.068 0.000 2.234 262 F HA -0.103 4.423 4.527 -0.001 0.000 0.299 262 F C 2.525 178.339 175.800 0.024 0.000 1.087 262 F CA 1.449 59.441 58.000 -0.012 0.000 1.340 262 F CB -0.870 38.090 39.000 -0.066 0.000 1.031 262 F HN 0.027 nan 8.300 nan 0.000 0.500 263 G N 0.599 109.504 108.800 0.174 0.000 2.422 263 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 263 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 263 G C 1.678 176.619 174.900 0.069 0.000 1.146 263 G CA 1.152 46.305 45.100 0.088 0.000 0.769 263 G HN 0.534 nan 8.290 nan 0.000 0.547 264 I N -2.731 117.888 120.570 0.081 0.000 2.233 264 I HA 0.188 4.357 4.170 -0.001 0.000 0.243 264 I C 2.426 178.580 176.117 0.061 0.000 1.093 264 I CA 1.051 62.392 61.300 0.068 0.000 1.380 264 I CB -0.264 37.781 38.000 0.074 0.000 1.067 264 I HN 0.051 nan 8.210 nan 0.000 0.413 265 F N 2.397 122.304 119.950 -0.072 0.000 2.325 265 F HA 0.209 4.736 4.527 -0.001 0.000 0.299 265 F C 2.238 177.981 175.800 -0.094 0.000 1.090 265 F CA 1.022 58.954 58.000 -0.114 0.000 1.392 265 F CB -0.483 38.426 39.000 -0.153 0.000 1.053 265 F HN 0.114 nan 8.300 nan 0.000 0.521 266 G N 1.309 110.129 108.800 0.034 0.000 2.529 266 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.219 266 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.219 266 G C -0.780 174.039 174.900 -0.135 0.000 1.177 266 G CA 1.147 46.238 45.100 -0.015 0.000 0.773 266 G HN 0.324 nan 8.290 nan 0.000 0.573 267 P HA 0.053 nan 4.420 nan 0.000 0.217 267 P C 1.996 179.108 177.300 -0.314 0.000 1.154 267 P CA 0.491 63.489 63.100 -0.169 0.000 0.841 267 P CB -0.081 31.557 31.700 -0.104 0.000 0.788 268 I N -1.698 118.616 120.570 -0.426 0.000 2.236 268 I HA -0.295 3.875 4.170 -0.001 0.000 0.249 268 I C 2.244 177.619 176.117 -1.236 0.000 1.102 268 I CA 1.569 62.438 61.300 -0.718 0.000 1.365 268 I CB -0.545 37.052 38.000 -0.672 0.000 1.051 268 I HN -0.132 nan 8.210 nan 0.000 0.420 269 F N 1.647 120.831 119.950 -1.277 0.000 2.146 269 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 269 F C 2.170 177.650 175.800 -0.534 0.000 1.096 269 F CA 1.742 59.109 58.000 -1.056 0.000 1.275 269 F CB -0.606 37.886 39.000 -0.847 0.000 1.008 269 F HN 0.079 nan 8.300 nan 0.000 0.480 270 N N 0.039 118.521 118.700 -0.363 0.000 2.104 270 N HA -0.217 4.522 4.740 -0.001 0.000 0.190 270 N C 1.788 177.160 175.510 -0.230 0.000 1.024 270 N CA 1.258 54.157 53.050 -0.252 0.000 0.853 270 N CB -0.121 38.285 38.487 -0.134 0.000 1.008 270 N HN 0.292 nan 8.380 nan 0.000 0.424 271 K N 0.495 120.741 120.400 -0.257 0.000 2.000 271 K HA -0.192 4.128 4.320 -0.001 0.000 0.218 271 K C 1.863 178.469 176.600 0.010 0.000 1.053 271 K CA 1.631 57.849 56.287 -0.114 0.000 0.946 271 K CB -0.264 32.182 32.500 -0.090 0.000 0.723 271 K HN 0.343 nan 8.250 nan 0.000 0.446 272 W N 0.341 121.508 121.300 -0.221 0.000 2.363 272 W HA -0.091 4.568 4.660 -0.001 0.000 0.296 272 W C 2.164 178.530 176.519 -0.256 0.000 1.212 272 W CA -0.021 57.191 57.345 -0.223 0.000 1.260 272 W CB -1.431 27.891 29.460 -0.231 0.000 1.131 272 W HN -0.036 nan 8.180 nan 0.000 0.530 273 V N 0.947 120.746 119.914 -0.192 0.000 2.343 273 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 273 V C 2.132 178.218 176.094 -0.014 0.000 1.051 273 V CA 1.640 63.850 62.300 -0.150 0.000 1.036 273 V CB -0.422 31.245 31.823 -0.260 0.000 0.654 273 V HN 0.030 nan 8.190 nan 0.000 0.451 274 L N -0.042 121.169 121.223 -0.020 0.000 1.993 274 L HA 0.029 4.368 4.340 -0.001 0.000 0.206 274 L C 2.777 179.649 176.870 0.002 0.000 1.074 274 L CA 1.798 56.640 54.840 0.003 0.000 0.746 274 L CB -1.666 40.394 42.059 0.002 0.000 0.896 274 L HN 0.443 nan 8.230 nan 0.000 0.435 275 G N -0.108 108.702 108.800 0.017 0.000 2.545 275 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.222 275 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.222 275 G C 1.517 176.412 174.900 -0.008 0.000 1.126 275 G CA 1.235 46.344 45.100 0.016 0.000 0.754 275 G HN 0.187 nan 8.290 nan 0.000 0.583 276 M N 0.108 119.707 119.600 -0.002 0.000 2.349 276 M HA 0.152 4.631 4.480 -0.001 0.000 0.266 276 M C 2.524 178.808 176.300 -0.028 0.000 1.076 276 M CA 0.922 56.210 55.300 -0.021 0.000 1.126 276 M CB -0.253 32.345 32.600 -0.004 0.000 1.392 276 M HN 0.304 nan 8.290 nan 0.000 0.440 277 Q N -0.204 119.583 119.800 -0.022 0.000 2.170 277 Q HA -0.191 4.148 4.340 -0.001 0.000 0.203 277 Q C 1.145 177.129 176.000 -0.027 0.000 0.976 277 Q CA 1.495 57.283 55.803 -0.025 0.000 0.858 277 Q CB -0.040 28.679 28.738 -0.031 0.000 0.907 277 Q HN 0.514 nan 8.270 nan 0.000 0.433 278 D N 0.408 120.786 120.400 -0.037 0.000 2.146 278 D HA -0.097 4.543 4.640 -0.001 0.000 0.209 278 D C 1.758 178.022 176.300 -0.060 0.000 0.973 278 D CA 0.463 54.437 54.000 -0.042 0.000 0.860 278 D CB -0.352 40.423 40.800 -0.041 0.000 1.015 278 D HN 0.116 nan 8.370 nan 0.000 0.465 279 L N 0.469 121.650 121.223 -0.070 0.000 2.261 279 L HA -0.106 4.234 4.340 -0.001 0.000 0.216 279 L C 1.822 178.602 176.870 -0.149 0.000 1.114 279 L CA 0.923 55.706 54.840 -0.095 0.000 0.777 279 L CB 0.013 42.020 42.059 -0.085 0.000 0.910 279 L HN 0.002 nan 8.230 nan 0.000 0.440 280 L N -1.842 119.279 121.223 -0.171 0.000 2.477 280 L HA -0.086 4.253 4.340 -0.001 0.000 0.220 280 L C 2.175 178.655 176.870 -0.649 0.000 1.106 280 L CA 0.235 54.898 54.840 -0.296 0.000 0.851 280 L CB -0.341 41.614 42.059 -0.173 0.000 0.994 280 L HN 0.305 nan 8.230 nan 0.000 0.462 281 H N 0.588 119.322 119.070 -0.559 0.000 2.357 281 H HA -0.082 4.474 4.556 -0.001 0.000 0.301 281 H C 2.356 177.328 175.328 -0.593 0.000 1.082 281 H CA 1.597 57.232 56.048 -0.689 0.000 1.342 281 H CB 0.261 29.858 29.762 -0.274 0.000 1.389 281 H HN 0.064 nan 8.280 nan 0.000 0.511 282 R N -0.445 119.889 120.500 -0.278 0.000 2.094 282 R HA -0.150 4.190 4.340 -0.001 0.000 0.239 282 R C 2.339 178.460 176.300 -0.298 0.000 1.137 282 R CA 1.711 57.681 56.100 -0.216 0.000 0.943 282 R CB -0.726 29.495 30.300 -0.132 0.000 0.850 282 R HN 0.175 nan 8.270 nan 0.000 0.433 283 V N 1.256 120.951 119.914 -0.364 0.000 2.439 283 V HA -0.279 3.840 4.120 -0.001 0.000 0.253 283 V C 1.927 177.852 176.094 -0.281 0.000 1.074 283 V CA 2.433 64.553 62.300 -0.300 0.000 1.076 283 V CB -0.770 30.888 31.823 -0.275 0.000 0.664 283 V HN 0.606 nan 8.190 nan 0.000 0.461 284 H N -2.022 116.845 119.070 -0.338 0.000 2.885 284 H HA 0.448 5.003 4.556 -0.001 0.000 0.260 284 H C 1.680 176.819 175.328 -0.315 0.000 0.985 284 H CA 0.307 56.156 56.048 -0.333 0.000 1.210 284 H CB -0.292 29.215 29.762 -0.425 0.000 1.466 284 H HN 0.273 nan 8.280 nan 0.000 0.493 285 G N 0.325 108.941 108.800 -0.306 0.000 2.186 285 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.266 285 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.266 285 G C 1.362 176.199 174.900 -0.104 0.000 0.982 285 G CA 1.124 46.113 45.100 -0.186 0.000 0.670 285 G HN 1.602 nan 8.290 nan 0.000 0.533 286 G N -1.257 107.441 108.800 -0.170 0.000 2.176 286 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.232 286 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.232 286 G C 0.071 175.136 174.900 0.275 0.000 0.986 286 G CA 0.699 45.922 45.100 0.205 0.000 0.643 286 G HN 1.611 nan 8.290 nan 0.000 0.522 287 N N 0.720 119.527 118.700 0.178 0.000 2.401 287 N HA 0.401 5.141 4.740 -0.001 0.000 0.255 287 N C 1.549 177.181 175.510 0.203 0.000 1.110 287 N CA -0.230 52.912 53.050 0.154 0.000 0.949 287 N CB 0.305 38.849 38.487 0.095 0.000 1.110 287 N HN 0.220 nan 8.380 nan 0.000 0.490 288 I N 2.136 122.797 120.570 0.152 0.000 2.597 288 I HA -0.327 3.842 4.170 -0.001 0.000 0.262 288 I C 1.077 177.284 176.117 0.151 0.000 1.194 288 I CA 1.242 62.613 61.300 0.119 0.000 1.437 288 I CB 0.149 38.175 38.000 0.045 0.000 1.096 288 I HN 0.595 nan 8.210 nan 0.000 0.451 289 T N -0.550 114.081 114.554 0.128 0.000 3.021 289 T HA -0.025 4.324 4.350 -0.001 0.000 0.245 289 T C 1.743 176.505 174.700 0.105 0.000 1.028 289 T CA 0.470 62.631 62.100 0.101 0.000 1.139 289 T CB 0.122 69.027 68.868 0.062 0.000 0.884 289 T HN 0.235 nan 8.240 nan 0.000 0.457 290 K N 0.335 120.800 120.400 0.109 0.000 2.209 290 K HA -0.080 4.240 4.320 -0.001 0.000 0.204 290 K C 1.895 178.582 176.600 0.145 0.000 1.048 290 K CA 0.815 57.161 56.287 0.098 0.000 0.940 290 K CB 0.032 32.579 32.500 0.079 0.000 0.729 290 K HN 0.314 nan 8.250 nan 0.000 0.451 291 W N 1.239 122.515 121.300 -0.040 0.000 2.417 291 W HA -0.150 4.509 4.660 -0.001 0.000 0.322 291 W C 1.889 178.323 176.519 -0.142 0.000 1.166 291 W CA 0.817 58.062 57.345 -0.167 0.000 1.296 291 W CB -0.861 28.389 29.460 -0.351 0.000 1.198 291 W HN -0.246 nan 8.180 nan 0.000 0.457 292 V N 1.521 121.578 119.914 0.239 0.000 2.363 292 V HA -0.348 3.771 4.120 -0.001 0.000 0.254 292 V C 2.447 178.522 176.094 -0.032 0.000 1.074 292 V CA 2.061 64.411 62.300 0.085 0.000 1.069 292 V CB -1.261 30.656 31.823 0.155 0.000 0.659 292 V HN 0.186 nan 8.190 nan 0.000 0.455 293 L N -1.330 119.903 121.223 0.016 0.000 2.044 293 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 293 L C 2.493 179.345 176.870 -0.029 0.000 1.075 293 L CA 1.955 56.797 54.840 0.003 0.000 0.747 293 L CB -0.427 41.647 42.059 0.025 0.000 0.903 293 L HN 0.342 nan 8.230 nan 0.000 0.435 294 M N -0.485 119.097 119.600 -0.030 0.000 2.213 294 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 294 M C 2.083 178.271 176.300 -0.188 0.000 1.062 294 M CA 1.915 57.184 55.300 -0.051 0.000 1.105 294 M CB -0.643 31.953 32.600 -0.006 0.000 1.385 294 M HN 0.309 nan 8.290 nan 0.000 0.417 295 G N 0.016 108.526 108.800 -0.484 0.000 2.586 295 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 295 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 295 G C 1.343 175.899 174.900 -0.574 0.000 1.216 295 G CA 1.060 45.308 45.100 -1.420 0.000 0.786 295 G HN 0.607 nan 8.290 nan 0.000 0.583 296 G N 0.307 108.959 108.800 -0.246 0.000 2.679 296 G HA2 0.244 4.204 3.960 -0.001 0.000 0.212 296 G HA3 0.244 4.204 3.960 -0.001 0.000 0.212 296 G C 1.706 176.612 174.900 0.009 0.000 1.137 296 G CA 1.315 46.403 45.100 -0.021 0.000 0.787 296 G HN 0.697 nan 8.290 nan 0.000 0.534 297 A N 0.766 123.576 122.820 -0.015 0.000 1.903 297 A HA 0.220 4.540 4.320 -0.001 0.000 0.213 297 A C 2.272 179.807 177.584 -0.082 0.000 1.185 297 A CA 0.768 52.828 52.037 0.037 0.000 0.628 297 A CB -0.157 18.881 19.000 0.064 0.000 0.830 297 A HN 0.325 nan 8.150 nan 0.000 0.446 298 I N 0.021 120.560 120.570 -0.050 0.000 2.202 298 I HA -0.131 4.038 4.170 -0.001 0.000 0.242 298 I C 2.731 178.817 176.117 -0.053 0.000 1.091 298 I CA 1.095 62.380 61.300 -0.025 0.000 1.368 298 I CB -0.931 37.112 38.000 0.072 0.000 1.058 298 I HN 0.328 nan 8.210 nan 0.000 0.410 299 G N 1.032 109.831 108.800 -0.002 0.000 2.513 299 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 299 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 299 G C 1.735 176.553 174.900 -0.136 0.000 1.160 299 G CA 1.127 46.237 45.100 0.017 0.000 0.767 299 G HN 0.518 nan 8.290 nan 0.000 0.571 300 G N 0.668 109.255 108.800 -0.355 0.000 2.418 300 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.217 300 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.217 300 G C 1.740 176.090 174.900 -0.916 0.000 1.158 300 G CA 0.998 45.555 45.100 -0.904 0.000 0.771 300 G HN 0.488 nan 8.290 nan 0.000 0.545 301 L N 0.422 121.243 121.223 -0.670 0.000 2.265 301 L HA 0.019 4.359 4.340 -0.001 0.000 0.215 301 L C 2.600 179.381 176.870 -0.147 0.000 1.117 301 L CA 1.069 55.715 54.840 -0.323 0.000 0.782 301 L CB -0.725 41.237 42.059 -0.161 0.000 0.914 301 L HN 0.241 nan 8.230 nan 0.000 0.441 302 C N -0.249 118.980 119.300 -0.119 0.000 2.548 302 C HA -0.009 4.450 4.460 -0.001 0.000 0.284 302 C C 2.823 177.815 174.990 0.005 0.000 1.252 302 C CA 0.880 59.886 59.018 -0.020 0.000 1.725 302 C CB -1.592 26.159 27.740 0.018 0.000 2.098 302 C HN 0.712 nan 8.230 nan 0.000 0.471 303 G N 0.136 108.930 108.800 -0.010 0.000 2.475 303 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.220 303 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.220 303 G C 1.535 176.476 174.900 0.069 0.000 1.125 303 G CA 1.263 46.387 45.100 0.040 0.000 0.755 303 G HN 0.519 nan 8.290 nan 0.000 0.565 304 L N 0.060 121.285 121.223 0.003 0.000 1.994 304 L HA 0.080 4.419 4.340 -0.001 0.000 0.208 304 L C 2.685 179.633 176.870 0.130 0.000 1.071 304 L CA 1.497 56.367 54.840 0.049 0.000 0.745 304 L CB -0.323 41.740 42.059 0.007 0.000 0.892 304 L HN 0.200 nan 8.230 nan 0.000 0.431 305 L N -0.526 120.755 121.223 0.096 0.000 2.156 305 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 305 L C 2.097 179.061 176.870 0.157 0.000 1.095 305 L CA 0.878 55.796 54.840 0.130 0.000 0.770 305 L CB -0.951 41.164 42.059 0.094 0.000 0.914 305 L HN 0.491 nan 8.230 nan 0.000 0.439 306 G N -1.771 107.117 108.800 0.146 0.000 3.135 306 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.208 306 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.208 306 G C 0.803 175.828 174.900 0.209 0.000 1.212 306 G CA 0.182 45.371 45.100 0.148 0.000 0.928 306 G HN 0.349 nan 8.290 nan 0.000 0.500 307 F N -0.842 119.153 119.950 0.074 0.000 2.411 307 F HA 0.090 4.616 4.527 -0.001 0.000 0.286 307 F C 2.018 177.877 175.800 0.099 0.000 0.858 307 F CA 0.438 58.488 58.000 0.084 0.000 1.080 307 F CB 0.368 39.418 39.000 0.083 0.000 0.961 307 F HN 0.006 nan 8.300 nan 0.000 0.742 308 V N -0.914 119.232 119.914 0.386 0.000 3.541 308 V HA 0.568 4.688 4.120 -0.001 0.000 0.267 308 V C 0.414 176.611 176.094 0.173 0.000 1.213 308 V CA 0.843 63.317 62.300 0.290 0.000 1.149 308 V CB -0.526 31.467 31.823 0.282 0.000 0.822 308 V HN 0.466 nan 8.190 nan 0.000 0.462 309 A N -0.202 122.711 122.820 0.154 0.000 3.024 309 A HA 0.567 4.886 4.320 -0.001 0.000 0.251 309 A C -1.907 175.755 177.584 0.131 0.000 1.267 309 A CA -0.187 51.930 52.037 0.134 0.000 1.050 309 A CB 0.024 19.149 19.000 0.210 0.000 1.400 309 A HN 0.256 nan 8.150 nan 0.000 0.756 310 P HA -0.173 nan 4.420 nan 0.000 0.220 310 P C 1.757 179.120 177.300 0.104 0.000 1.144 310 P CA 1.949 65.104 63.100 0.092 0.000 0.800 310 P CB 0.282 32.019 31.700 0.061 0.000 0.772 311 A N -0.351 122.536 122.820 0.111 0.000 1.969 311 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 311 A C 2.219 179.861 177.584 0.098 0.000 1.169 311 A CA 2.237 54.337 52.037 0.104 0.000 0.635 311 A CB -1.851 17.183 19.000 0.056 0.000 0.810 311 A HN 0.354 nan 8.150 nan 0.000 0.445 312 T N -3.569 111.059 114.554 0.123 0.000 3.055 312 T HA 0.101 4.450 4.350 -0.001 0.000 0.265 312 T C 1.226 175.973 174.700 0.077 0.000 1.111 312 T CA 1.239 63.396 62.100 0.095 0.000 1.118 312 T CB -0.199 68.737 68.868 0.112 0.000 0.909 312 T HN 0.276 nan 8.240 nan 0.000 0.501 313 S N -0.769 114.984 115.700 0.088 0.000 2.618 313 S HA 0.657 5.127 4.470 -0.001 0.000 0.284 313 S C 0.757 175.401 174.600 0.074 0.000 1.102 313 S CA 0.213 58.460 58.200 0.079 0.000 0.984 313 S CB 0.552 63.802 63.200 0.084 0.000 1.280 313 S HN 1.334 nan 8.310 nan 0.000 0.525 314 G N -0.250 108.591 108.800 0.069 0.000 2.915 314 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.337 314 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.337 314 G C 0.837 175.753 174.900 0.028 0.000 1.477 314 G CA 0.016 45.151 45.100 0.058 0.000 0.916 314 G HN 1.400 nan 8.290 nan 0.000 0.550 315 G N -1.090 107.705 108.800 -0.009 0.000 2.432 315 G HA2 0.370 4.330 3.960 -0.001 0.000 0.219 315 G HA3 0.370 4.330 3.960 -0.001 0.000 0.219 315 G C 1.990 176.761 174.900 -0.215 0.000 1.135 315 G CA 2.081 47.107 45.100 -0.122 0.000 0.767 315 G HN 2.737 nan 8.290 nan 0.000 0.550 316 G N -0.816 107.925 108.800 -0.098 0.000 2.238 316 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.217 316 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.217 316 G C 1.184 176.139 174.900 0.091 0.000 0.996 316 G CA 0.373 45.462 45.100 -0.018 0.000 0.632 316 G HN 0.402 nan 8.290 nan 0.000 0.503 317 F N 1.418 121.444 119.950 0.128 0.000 2.192 317 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 317 F C 2.580 178.444 175.800 0.107 0.000 1.079 317 F CA 1.224 59.296 58.000 0.119 0.000 1.303 317 F CB -0.134 38.940 39.000 0.123 0.000 1.024 317 F HN 0.165 nan 8.300 nan 0.000 0.494 318 N N 0.822 119.695 118.700 0.288 0.000 2.166 318 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 318 N C 1.699 177.328 175.510 0.198 0.000 1.019 318 N CA 1.342 54.516 53.050 0.206 0.000 0.856 318 N CB -0.449 38.137 38.487 0.164 0.000 0.993 318 N HN 0.368 nan 8.380 nan 0.000 0.426 319 L N -2.254 119.110 121.223 0.235 0.000 2.529 319 L HA 0.353 4.692 4.340 -0.001 0.000 0.223 319 L C 1.646 178.685 176.870 0.281 0.000 1.113 319 L CA 0.569 55.596 54.840 0.313 0.000 0.861 319 L CB -0.319 41.956 42.059 0.359 0.000 1.012 319 L HN -0.075 nan 8.230 nan 0.000 0.461 320 I N 0.738 121.445 120.570 0.227 0.000 2.076 320 I HA -0.150 4.020 4.170 -0.001 0.000 0.237 320 I C -0.048 176.141 176.117 0.119 0.000 1.059 320 I CA 1.610 63.022 61.300 0.186 0.000 1.317 320 I CB -1.393 36.727 38.000 0.200 0.000 1.037 320 I HN 0.234 nan 8.210 nan 0.000 0.398 321 P HA -0.212 nan 4.420 nan 0.000 0.215 321 P C 1.850 179.138 177.300 -0.019 0.000 1.163 321 P CA 1.823 64.942 63.100 0.031 0.000 0.894 321 P CB -0.071 31.646 31.700 0.028 0.000 0.791 322 I N -1.028 119.510 120.570 -0.053 0.000 2.194 322 I HA -0.298 3.871 4.170 -0.001 0.000 0.246 322 I C 2.310 178.198 176.117 -0.381 0.000 1.093 322 I CA 1.760 62.906 61.300 -0.257 0.000 1.355 322 I CB -0.805 36.988 38.000 -0.345 0.000 1.046 322 I HN -0.069 nan 8.210 nan 0.000 0.413 323 A N 0.303 123.058 122.820 -0.108 0.000 1.897 323 A HA -0.147 4.173 4.320 -0.001 0.000 0.215 323 A C 2.384 179.997 177.584 0.048 0.000 1.181 323 A CA 2.083 54.166 52.037 0.077 0.000 0.620 323 A CB -1.018 18.202 19.000 0.368 0.000 0.821 323 A HN 0.401 nan 8.150 nan 0.000 0.443 324 T N 0.669 115.250 114.554 0.044 0.000 2.746 324 T HA -0.038 4.311 4.350 -0.001 0.000 0.267 324 T C 2.026 176.736 174.700 0.017 0.000 1.039 324 T CA 1.434 63.560 62.100 0.044 0.000 1.142 324 T CB -0.433 68.456 68.868 0.036 0.000 0.866 324 T HN 0.560 nan 8.240 nan 0.000 0.444 325 A N 0.753 123.559 122.820 -0.024 0.000 2.216 325 A HA 0.433 4.753 4.320 -0.001 0.000 0.214 325 A C 1.896 179.455 177.584 -0.041 0.000 1.160 325 A CA 0.860 52.875 52.037 -0.036 0.000 0.725 325 A CB -1.104 17.859 19.000 -0.061 0.000 0.784 325 A HN 0.916 nan 8.150 nan 0.000 0.472 326 G N -0.521 108.256 108.800 -0.039 0.000 2.225 326 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.264 326 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.264 326 G C 0.321 175.184 174.900 -0.061 0.000 1.060 326 G CA 0.508 45.599 45.100 -0.016 0.000 0.833 326 G HN 0.670 nan 8.290 nan 0.000 0.498 327 N N -1.263 117.328 118.700 -0.182 0.000 2.392 327 N HA 0.211 4.951 4.740 -0.001 0.000 0.177 327 N C 0.278 175.666 175.510 -0.204 0.000 1.066 327 N CA -0.179 52.732 53.050 -0.232 0.000 0.895 327 N CB 0.164 38.448 38.487 -0.339 0.000 0.988 327 N HN 0.361 nan 8.380 nan 0.000 0.457 328 F N 1.451 121.413 119.950 0.020 0.000 2.389 328 F HA 0.200 4.727 4.527 -0.001 0.000 0.337 328 F C 1.358 177.165 175.800 0.010 0.000 1.112 328 F CA -1.556 56.455 58.000 0.019 0.000 1.192 328 F CB 0.613 39.633 39.000 0.034 0.000 1.185 328 F HN -0.119 nan 8.300 nan 0.000 0.552 329 S N 2.135 117.967 115.700 0.220 0.000 2.641 329 S HA 0.189 4.658 4.470 -0.001 0.000 0.261 329 S C 1.063 175.723 174.600 0.100 0.000 1.257 329 S CA -0.671 57.596 58.200 0.112 0.000 0.983 329 S CB 0.515 63.755 63.200 0.066 0.000 0.990 329 S HN 0.729 nan 8.310 nan 0.000 0.572 330 M N 1.639 121.270 119.600 0.053 0.000 2.123 330 M HA 0.157 4.636 4.480 -0.001 0.000 0.263 330 M C 1.971 178.296 176.300 0.042 0.000 1.069 330 M CA 2.127 57.448 55.300 0.036 0.000 1.133 330 M CB -1.563 31.042 32.600 0.008 0.000 1.356 330 M HN 0.878 nan 8.290 nan 0.000 0.415 331 G N 0.501 109.325 108.800 0.039 0.000 2.628 331 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.217 331 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.217 331 G C 1.469 176.408 174.900 0.064 0.000 1.240 331 G CA 1.586 46.715 45.100 0.048 0.000 0.792 331 G HN 0.520 nan 8.290 nan 0.000 0.593 332 M N 0.546 120.162 119.600 0.027 0.000 2.146 332 M HA -0.077 4.403 4.480 -0.001 0.000 0.256 332 M C 2.358 178.640 176.300 -0.031 0.000 1.075 332 M CA 1.347 56.634 55.300 -0.021 0.000 1.082 332 M CB -0.600 31.999 32.600 -0.001 0.000 1.355 332 M HN 0.274 nan 8.290 nan 0.000 0.402 333 L N -2.029 119.195 121.223 0.001 0.000 1.988 333 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 333 L C 2.313 179.221 176.870 0.064 0.000 1.071 333 L CA 1.139 55.971 54.840 -0.015 0.000 0.744 333 L CB -0.983 41.096 42.059 0.033 0.000 0.893 333 L HN 0.104 nan 8.230 nan 0.000 0.433 334 V N -0.129 119.840 119.914 0.093 0.000 2.278 334 V HA -0.369 3.750 4.120 -0.001 0.000 0.251 334 V C 2.268 178.467 176.094 0.176 0.000 1.062 334 V CA 2.253 64.636 62.300 0.139 0.000 1.038 334 V CB -0.562 31.326 31.823 0.108 0.000 0.646 334 V HN 0.355 nan 8.190 nan 0.000 0.447 335 F N 0.502 120.465 119.950 0.021 0.000 2.025 335 F HA -0.268 4.259 4.527 -0.001 0.000 0.297 335 F C 2.155 177.959 175.800 0.008 0.000 1.132 335 F CA 2.305 60.309 58.000 0.007 0.000 1.191 335 F CB -0.423 38.567 39.000 -0.017 0.000 0.963 335 F HN 0.066 nan 8.300 nan 0.000 0.481 336 I N -0.686 120.042 120.570 0.262 0.000 2.315 336 I HA -0.333 3.836 4.170 -0.001 0.000 0.251 336 I C 2.240 178.411 176.117 0.090 0.000 1.125 336 I CA 1.123 62.490 61.300 0.112 0.000 1.392 336 I CB -0.558 37.415 38.000 -0.044 0.000 1.065 336 I HN 0.237 nan 8.210 nan 0.000 0.424 337 F N 1.001 120.906 119.950 -0.075 0.000 2.039 337 F HA -0.164 4.362 4.527 -0.001 0.000 0.294 337 F C 2.376 178.137 175.800 -0.065 0.000 1.130 337 F CA 1.511 59.464 58.000 -0.079 0.000 1.189 337 F CB -0.843 38.096 39.000 -0.101 0.000 0.983 337 F HN -0.232 nan 8.300 nan 0.000 0.471 338 V N 0.971 120.782 119.914 -0.173 0.000 2.220 338 V HA -0.389 3.731 4.120 -0.001 0.000 0.250 338 V C 2.777 178.719 176.094 -0.253 0.000 1.056 338 V CA 2.444 64.591 62.300 -0.255 0.000 1.016 338 V CB -1.752 29.961 31.823 -0.183 0.000 0.639 338 V HN 0.499 nan 8.190 nan 0.000 0.446 339 A N -0.644 121.965 122.820 -0.352 0.000 1.971 339 A HA -0.322 3.997 4.320 -0.001 0.000 0.222 339 A C 2.358 179.861 177.584 -0.135 0.000 1.182 339 A CA 2.468 54.310 52.037 -0.324 0.000 0.649 339 A CB -0.589 18.105 19.000 -0.510 0.000 0.818 339 A HN 0.554 nan 8.150 nan 0.000 0.458 340 R N -1.085 119.362 120.500 -0.088 0.000 2.127 340 R HA 0.031 4.370 4.340 -0.001 0.000 0.217 340 R C 2.067 178.385 176.300 0.029 0.000 1.074 340 R CA 1.046 57.148 56.100 0.002 0.000 0.991 340 R CB -0.328 30.009 30.300 0.061 0.000 0.895 340 R HN 0.461 nan 8.270 nan 0.000 0.450 341 V N 1.737 121.619 119.914 -0.053 0.000 2.233 341 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 341 V C 2.343 178.530 176.094 0.155 0.000 1.050 341 V CA 1.865 64.228 62.300 0.105 0.000 1.010 341 V CB -0.543 31.308 31.823 0.048 0.000 0.637 341 V HN 0.223 nan 8.190 nan 0.000 0.444 342 I N 1.320 121.912 120.570 0.038 0.000 2.068 342 I HA -0.342 3.828 4.170 -0.001 0.000 0.238 342 I C 2.882 179.030 176.117 0.051 0.000 1.046 342 I CA 2.564 63.873 61.300 0.015 0.000 1.306 342 I CB -1.072 36.897 38.000 -0.051 0.000 1.023 342 I HN 0.564 nan 8.210 nan 0.000 0.399 343 T N -2.415 112.165 114.554 0.043 0.000 2.803 343 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 343 T C 1.752 176.524 174.700 0.120 0.000 1.052 343 T CA 1.945 64.085 62.100 0.068 0.000 1.136 343 T CB -0.874 68.025 68.868 0.053 0.000 0.864 343 T HN 0.296 nan 8.240 nan 0.000 0.467 344 T N 2.387 117.035 114.554 0.156 0.000 2.701 344 T HA 0.122 4.472 4.350 -0.001 0.000 0.263 344 T C 1.905 176.754 174.700 0.248 0.000 1.040 344 T CA 1.361 63.594 62.100 0.221 0.000 1.147 344 T CB -0.504 68.547 68.868 0.306 0.000 0.865 344 T HN 0.306 nan 8.240 nan 0.000 0.426 345 L N 0.352 121.706 121.223 0.218 0.000 1.943 345 L HA -0.113 4.226 4.340 -0.001 0.000 0.215 345 L C 2.516 179.477 176.870 0.153 0.000 1.074 345 L CA 1.196 56.132 54.840 0.160 0.000 0.759 345 L CB -0.837 41.281 42.059 0.098 0.000 0.888 345 L HN 0.176 nan 8.230 nan 0.000 0.433 346 L N -0.841 120.451 121.223 0.114 0.000 2.211 346 L HA -0.327 4.013 4.340 -0.001 0.000 0.216 346 L C 2.468 179.435 176.870 0.162 0.000 1.092 346 L CA 1.594 56.498 54.840 0.106 0.000 0.767 346 L CB -0.571 41.532 42.059 0.073 0.000 0.894 346 L HN 0.426 nan 8.230 nan 0.000 0.437 347 C N -2.802 116.616 119.300 0.198 0.000 2.541 347 C HA 0.011 4.470 4.460 -0.001 0.000 0.284 347 C C 2.493 177.642 174.990 0.265 0.000 1.341 347 C CA -0.220 58.939 59.018 0.234 0.000 1.732 347 C CB -0.538 27.331 27.740 0.214 0.000 2.126 347 C HN 0.578 nan 8.230 nan 0.000 0.505 348 F N 1.873 121.901 119.950 0.130 0.000 2.094 348 F HA -0.037 4.490 4.527 -0.001 0.000 0.291 348 F C 2.511 178.385 175.800 0.124 0.000 1.109 348 F CA 1.968 60.043 58.000 0.124 0.000 1.221 348 F CB -0.804 38.273 39.000 0.129 0.000 1.014 348 F HN 0.042 nan 8.300 nan 0.000 0.473 349 S N 0.074 115.803 115.700 0.050 0.000 2.380 349 S HA -0.268 4.202 4.470 -0.001 0.000 0.229 349 S C 1.986 176.578 174.600 -0.013 0.000 1.043 349 S CA 1.677 59.849 58.200 -0.046 0.000 1.038 349 S CB -1.021 62.204 63.200 0.040 0.000 0.872 349 S HN 0.590 nan 8.310 nan 0.000 0.456 350 S N 0.763 116.521 115.700 0.097 0.000 2.727 350 S HA 0.257 4.727 4.470 -0.001 0.000 0.226 350 S C 1.383 176.182 174.600 0.332 0.000 0.963 350 S CA 0.666 59.009 58.200 0.239 0.000 0.950 350 S CB -0.790 62.616 63.200 0.344 0.000 0.779 350 S HN 0.837 nan 8.310 nan 0.000 0.532 351 G N 0.571 109.429 108.800 0.097 0.000 2.187 351 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.261 351 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.261 351 G C 0.304 175.163 174.900 -0.067 0.000 1.000 351 G CA 0.118 45.256 45.100 0.064 0.000 0.718 351 G HN 1.424 nan 8.290 nan 0.000 0.519 352 A N 0.822 123.530 122.820 -0.187 0.000 2.477 352 A HA 0.591 4.910 4.320 -0.001 0.000 0.246 352 A C -1.152 176.344 177.584 -0.145 0.000 1.078 352 A CA -0.591 51.174 52.037 -0.453 0.000 0.770 352 A CB 0.374 19.150 19.000 -0.373 0.000 1.011 352 A HN 0.273 nan 8.150 nan 0.000 0.494 353 P HA 0.374 nan 4.420 nan 0.000 0.271 353 P C 0.119 177.466 177.300 0.080 0.000 1.233 353 P CA 0.786 63.881 63.100 -0.007 0.000 0.764 353 P CB 0.583 32.278 31.700 -0.008 0.000 0.825 354 G N 2.015 110.896 108.800 0.134 0.000 2.226 354 G HA2 0.381 4.340 3.960 -0.001 0.000 0.257 354 G HA3 0.381 4.340 3.960 -0.001 0.000 0.257 354 G C -0.171 174.875 174.900 0.243 0.000 1.732 354 G CA -0.384 44.814 45.100 0.164 0.000 0.914 354 G HN 0.563 nan 8.290 nan 0.000 0.742 355 G N -0.270 108.631 108.800 0.168 0.000 2.771 355 G HA2 0.422 4.382 3.960 -0.001 0.000 0.242 355 G HA3 0.422 4.382 3.960 -0.001 0.000 0.242 355 G C 0.958 175.902 174.900 0.072 0.000 1.233 355 G CA 0.134 45.341 45.100 0.179 0.000 0.858 355 G HN 1.261 nan 8.290 nan 0.000 0.591 356 I N 0.196 120.713 120.570 -0.088 0.000 4.082 356 I HA 0.233 4.403 4.170 -0.001 0.000 0.337 356 I C 1.529 177.640 176.117 -0.010 0.000 1.352 356 I CA -0.446 60.721 61.300 -0.223 0.000 1.097 356 I CB -0.052 37.505 38.000 -0.738 0.000 1.048 356 I HN 0.612 nan 8.210 nan 0.000 0.393 357 F N 1.732 121.690 119.950 0.013 0.000 2.026 357 F HA -0.295 4.232 4.527 -0.001 0.000 0.296 357 F C 2.563 178.409 175.800 0.077 0.000 1.133 357 F CA 2.391 60.427 58.000 0.060 0.000 1.188 357 F CB -0.156 38.947 39.000 0.171 0.000 0.968 357 F HN 0.169 nan 8.300 nan 0.000 0.476 358 A N 0.438 123.511 122.820 0.421 0.000 1.849 358 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 358 A C -0.300 177.314 177.584 0.051 0.000 1.202 358 A CA 2.245 54.417 52.037 0.225 0.000 0.629 358 A CB -2.264 16.724 19.000 -0.019 0.000 0.834 358 A HN 0.302 nan 8.150 nan 0.000 0.447 359 P HA -0.142 nan 4.420 nan 0.000 0.222 359 P C 1.500 178.819 177.300 0.032 0.000 1.142 359 P CA 1.251 64.365 63.100 0.024 0.000 0.788 359 P CB -0.153 31.583 31.700 0.061 0.000 0.767 360 M N -1.969 117.639 119.600 0.012 0.000 2.236 360 M HA -0.071 4.409 4.480 -0.001 0.000 0.266 360 M C 1.899 178.189 176.300 -0.017 0.000 1.070 360 M CA 1.452 56.722 55.300 -0.050 0.000 1.137 360 M CB -0.632 31.883 32.600 -0.142 0.000 1.378 360 M HN -0.048 nan 8.290 nan 0.000 0.426 361 L N -0.076 121.162 121.223 0.025 0.000 1.970 361 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 361 L C 2.794 179.709 176.870 0.075 0.000 1.071 361 L CA 1.554 56.422 54.840 0.047 0.000 0.751 361 L CB -1.089 41.039 42.059 0.115 0.000 0.889 361 L HN 0.274 nan 8.230 nan 0.000 0.432 362 A N -0.186 122.689 122.820 0.092 0.000 1.986 362 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 362 A C 2.278 179.927 177.584 0.109 0.000 1.171 362 A CA 1.589 53.690 52.037 0.107 0.000 0.640 362 A CB -0.712 18.338 19.000 0.084 0.000 0.811 362 A HN 0.387 nan 8.150 nan 0.000 0.451 363 L N -1.297 119.989 121.223 0.105 0.000 2.109 363 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 363 L C 2.792 179.719 176.870 0.095 0.000 1.086 363 L CA 1.399 56.338 54.840 0.164 0.000 0.760 363 L CB -1.170 40.989 42.059 0.167 0.000 0.910 363 L HN 0.521 nan 8.230 nan 0.000 0.437 364 G N -0.288 108.587 108.800 0.125 0.000 2.402 364 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.216 364 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.216 364 G C 1.562 176.552 174.900 0.151 0.000 1.162 364 G CA 1.132 46.362 45.100 0.217 0.000 0.777 364 G HN 0.294 nan 8.290 nan 0.000 0.539 365 T N 1.418 116.023 114.554 0.085 0.000 2.580 365 T HA -0.182 4.168 4.350 -0.001 0.000 0.265 365 T C 2.486 177.232 174.700 0.075 0.000 1.063 365 T CA 1.649 63.803 62.100 0.089 0.000 1.170 365 T CB -0.708 68.224 68.868 0.108 0.000 0.863 365 T HN 0.031 nan 8.240 nan 0.000 0.418 366 V N 1.689 121.630 119.914 0.045 0.000 2.324 366 V HA -0.160 3.959 4.120 -0.001 0.000 0.250 366 V C 2.449 178.429 176.094 -0.192 0.000 1.060 366 V CA 1.603 63.891 62.300 -0.020 0.000 1.042 366 V CB -0.872 30.944 31.823 -0.012 0.000 0.650 366 V HN 0.288 nan 8.190 nan 0.000 0.450 367 L N 1.201 122.208 121.223 -0.360 0.000 2.027 367 L HA 0.037 4.377 4.340 -0.001 0.000 0.206 367 L C 2.393 179.176 176.870 -0.145 0.000 1.074 367 L CA 2.436 56.944 54.840 -0.553 0.000 0.745 367 L CB -1.364 40.159 42.059 -0.892 0.000 0.898 367 L HN 0.253 nan 8.230 nan 0.000 0.433 368 G N -1.736 107.121 108.800 0.095 0.000 2.446 368 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.217 368 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.217 368 G C 1.432 176.468 174.900 0.227 0.000 1.168 368 G CA 1.281 46.520 45.100 0.232 0.000 0.771 368 G HN 0.428 nan 8.290 nan 0.000 0.551 369 T N 1.876 116.522 114.554 0.153 0.000 2.635 369 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 369 T C 2.807 177.554 174.700 0.078 0.000 1.040 369 T CA 2.059 64.242 62.100 0.139 0.000 1.156 369 T CB -0.611 68.336 68.868 0.132 0.000 0.863 369 T HN 0.412 nan 8.240 nan 0.000 0.430 370 A N 0.843 123.676 122.820 0.023 0.000 1.917 370 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 370 A C 2.047 179.611 177.584 -0.034 0.000 1.182 370 A CA 1.791 53.813 52.037 -0.025 0.000 0.633 370 A CB -1.051 17.896 19.000 -0.089 0.000 0.819 370 A HN 0.510 nan 8.150 nan 0.000 0.448 371 F N 0.984 120.839 119.950 -0.159 0.000 2.134 371 F HA 0.004 4.530 4.527 -0.001 0.000 0.299 371 F C 2.326 177.895 175.800 -0.385 0.000 1.097 371 F CA 1.465 59.327 58.000 -0.230 0.000 1.264 371 F CB -0.689 38.200 39.000 -0.185 0.000 1.001 371 F HN 0.206 nan 8.300 nan 0.000 0.479 372 G N 0.639 109.291 108.800 -0.247 0.000 2.440 372 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 372 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 372 G C 1.651 176.362 174.900 -0.316 0.000 1.154 372 G CA 1.088 45.919 45.100 -0.449 0.000 0.767 372 G HN 0.348 nan 8.290 nan 0.000 0.552 373 M N 0.218 119.718 119.600 -0.166 0.000 2.082 373 M HA -0.134 4.345 4.480 -0.001 0.000 0.258 373 M C 2.737 178.905 176.300 -0.219 0.000 1.071 373 M CA 1.414 56.634 55.300 -0.134 0.000 1.103 373 M CB -0.964 31.592 32.600 -0.074 0.000 1.307 373 M HN 0.134 nan 8.290 nan 0.000 0.409 374 V N 0.810 120.547 119.914 -0.295 0.000 2.252 374 V HA -0.302 3.817 4.120 -0.001 0.000 0.249 374 V C 2.784 178.624 176.094 -0.424 0.000 1.056 374 V CA 2.164 64.257 62.300 -0.345 0.000 1.022 374 V CB -1.679 29.909 31.823 -0.391 0.000 0.641 374 V HN 0.556 nan 8.190 nan 0.000 0.445 375 A N -0.110 122.343 122.820 -0.611 0.000 1.873 375 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 375 A C 2.441 179.914 177.584 -0.186 0.000 1.193 375 A CA 2.482 54.209 52.037 -0.518 0.000 0.629 375 A CB -0.977 17.389 19.000 -1.057 0.000 0.826 375 A HN 0.327 nan 8.150 nan 0.000 0.447 376 V N 0.857 120.665 119.914 -0.177 0.000 2.282 376 V HA -0.342 3.778 4.120 -0.001 0.000 0.249 376 V C 2.667 178.703 176.094 -0.096 0.000 1.057 376 V CA 2.746 65.016 62.300 -0.051 0.000 1.032 376 V CB -0.912 30.889 31.823 -0.036 0.000 0.645 376 V HN 0.961 nan 8.190 nan 0.000 0.447 377 E N -0.088 120.012 120.200 -0.166 0.000 2.158 377 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 377 E C 2.051 178.486 176.600 -0.275 0.000 0.982 377 E CA 1.198 57.490 56.400 -0.180 0.000 0.823 377 E CB -0.385 29.220 29.700 -0.159 0.000 0.766 377 E HN 0.549 nan 8.360 nan 0.000 0.468 378 L N -0.457 120.502 121.223 -0.440 0.000 2.156 378 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 378 L C 0.372 176.617 176.870 -1.043 0.000 1.095 378 L CA 0.656 54.997 54.840 -0.831 0.000 0.770 378 L CB 0.032 41.345 42.059 -1.244 0.000 0.914 378 L HN 0.142 nan 8.230 nan 0.000 0.439 379 F N -0.716 119.177 119.950 -0.096 0.000 2.660 379 F HA 0.295 4.821 4.527 -0.001 0.000 0.352 379 F C -1.670 174.068 175.800 -0.105 0.000 1.257 379 F CA -1.549 56.369 58.000 -0.136 0.000 1.200 379 F CB 0.550 39.509 39.000 -0.069 0.000 1.473 379 F HN -0.190 nan 8.300 nan 0.000 0.561 380 P HA -0.192 nan 4.420 nan 0.000 0.223 380 P C 1.128 178.388 177.300 -0.067 0.000 1.151 380 P CA 1.194 64.257 63.100 -0.062 0.000 0.787 380 P CB 0.270 31.911 31.700 -0.099 0.000 0.788 381 Q N -1.037 118.757 119.800 -0.011 0.000 2.432 381 Q HA -0.097 4.243 4.340 -0.001 0.000 0.205 381 Q C 1.461 177.676 176.000 0.358 0.000 0.945 381 Q CA 0.940 56.804 55.803 0.103 0.000 0.924 381 Q CB -0.944 27.790 28.738 -0.008 0.000 1.016 381 Q HN 0.398 nan 8.270 nan 0.000 0.503 382 Y N 0.168 120.661 120.300 0.322 0.000 2.523 382 Y HA 0.023 4.573 4.550 -0.001 0.000 0.279 382 Y C -0.125 175.998 175.900 0.371 0.000 1.139 382 Y CA -0.185 58.093 58.100 0.298 0.000 1.296 382 Y CB 0.194 38.785 38.460 0.219 0.000 1.045 382 Y HN 0.266 nan 8.280 nan 0.000 0.538 383 H N -0.524 118.689 119.070 0.239 0.000 2.770 383 H HA -0.164 4.392 4.556 -0.001 0.000 0.309 383 H C -0.219 175.206 175.328 0.162 0.000 1.206 383 H CA -0.065 56.077 56.048 0.156 0.000 1.147 383 H CB -2.231 27.601 29.762 0.117 0.000 1.422 383 H HN 0.256 nan 8.280 nan 0.000 0.420 384 L N -0.005 121.389 121.223 0.284 0.000 2.476 384 L HA 0.245 4.585 4.340 -0.001 0.000 0.255 384 L C 1.040 178.041 176.870 0.217 0.000 1.218 384 L CA 0.350 55.363 54.840 0.289 0.000 0.819 384 L CB 0.550 42.836 42.059 0.378 0.000 1.119 384 L HN 0.429 nan 8.230 nan 0.000 0.485 385 E N -0.325 120.018 120.200 0.238 0.000 2.283 385 E HA 0.314 4.664 4.350 -0.001 0.000 0.258 385 E C 0.164 176.919 176.600 0.258 0.000 0.893 385 E CA -0.310 56.196 56.400 0.176 0.000 0.798 385 E CB 1.770 31.537 29.700 0.112 0.000 1.242 385 E HN 0.667 nan 8.360 nan 0.000 0.414 386 A N 3.696 126.651 122.820 0.225 0.000 1.940 386 A HA -0.234 4.086 4.320 -0.001 0.000 0.221 386 A C 1.923 179.695 177.584 0.315 0.000 1.190 386 A CA 2.224 54.427 52.037 0.277 0.000 0.647 386 A CB -1.065 18.010 19.000 0.124 0.000 0.821 386 A HN 0.789 nan 8.150 nan 0.000 0.457 387 G N -0.941 107.965 108.800 0.178 0.000 2.516 387 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.221 387 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.221 387 G C 1.553 176.507 174.900 0.091 0.000 1.107 387 G CA 2.007 47.179 45.100 0.120 0.000 0.747 387 G HN 0.784 nan 8.290 nan 0.000 0.567 388 T N -2.019 112.579 114.554 0.072 0.000 2.942 388 T HA 0.073 4.422 4.350 -0.001 0.000 0.265 388 T C 2.000 176.652 174.700 -0.079 0.000 1.062 388 T CA 0.562 62.613 62.100 -0.083 0.000 1.139 388 T CB -0.336 68.412 68.868 -0.199 0.000 0.883 388 T HN 0.190 nan 8.240 nan 0.000 0.468 389 F N 2.107 122.184 119.950 0.212 0.000 2.293 389 F HA 0.411 4.938 4.527 -0.000 0.000 0.297 389 F C 2.911 178.794 175.800 0.139 0.000 1.089 389 F CA 0.227 58.366 58.000 0.232 0.000 1.377 389 F CB -0.867 38.263 39.000 0.217 0.000 1.051 389 F HN 0.218 nan 8.300 nan 0.000 0.511 390 A N 0.867 123.849 122.820 0.270 0.000 1.873 390 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 390 A C 2.230 179.860 177.584 0.076 0.000 1.193 390 A CA 2.040 54.170 52.037 0.155 0.000 0.629 390 A CB -1.161 17.914 19.000 0.125 0.000 0.826 390 A HN 0.404 nan 8.150 nan 0.000 0.447 391 I N -0.723 119.867 120.570 0.032 0.000 2.546 391 I HA -0.175 3.994 4.170 -0.001 0.000 0.255 391 I C 2.843 178.911 176.117 -0.083 0.000 1.163 391 I CA 0.674 61.954 61.300 -0.034 0.000 1.457 391 I CB -0.187 37.779 38.000 -0.057 0.000 1.092 391 I HN 0.389 nan 8.210 nan 0.000 0.434 392 A N 0.742 123.522 122.820 -0.067 0.000 1.873 392 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 392 A C 2.389 179.866 177.584 -0.177 0.000 1.186 392 A CA 1.792 53.763 52.037 -0.109 0.000 0.616 392 A CB -1.349 17.667 19.000 0.027 0.000 0.823 392 A HN 0.423 nan 8.150 nan 0.000 0.442 393 G N -0.875 107.853 108.800 -0.120 0.000 2.534 393 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.217 393 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.217 393 G C 1.516 176.213 174.900 -0.338 0.000 1.128 393 G CA 1.004 45.913 45.100 -0.320 0.000 0.784 393 G HN 0.535 nan 8.290 nan 0.000 0.542 394 M N 0.866 120.368 119.600 -0.163 0.000 2.132 394 M HA 0.081 4.561 4.480 -0.001 0.000 0.263 394 M C 2.176 178.380 176.300 -0.161 0.000 1.065 394 M CA 1.868 57.107 55.300 -0.101 0.000 1.122 394 M CB -0.020 32.551 32.600 -0.048 0.000 1.365 394 M HN 0.125 nan 8.290 nan 0.000 0.411 395 G N -1.168 107.502 108.800 -0.217 0.000 3.284 395 G HA2 0.366 4.326 3.960 -0.001 0.000 0.236 395 G HA3 0.366 4.326 3.960 -0.001 0.000 0.236 395 G C 1.116 175.827 174.900 -0.314 0.000 1.158 395 G CA 0.447 45.413 45.100 -0.222 0.000 0.774 395 G HN 0.579 nan 8.290 nan 0.000 0.545 396 A N 0.317 122.820 122.820 -0.528 0.000 1.935 396 A HA 0.247 4.567 4.320 -0.001 0.000 0.214 396 A C 2.132 179.412 177.584 -0.507 0.000 1.178 396 A CA 0.448 52.036 52.037 -0.747 0.000 0.640 396 A CB -0.265 17.802 19.000 -1.555 0.000 0.825 396 A HN 0.321 nan 8.150 nan 0.000 0.447 397 L N 0.006 121.044 121.223 -0.308 0.000 2.017 397 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 397 L C 2.220 179.026 176.870 -0.106 0.000 1.073 397 L CA 1.576 56.459 54.840 0.073 0.000 0.745 397 L CB -0.729 41.426 42.059 0.160 0.000 0.894 397 L HN 0.407 nan 8.230 nan 0.000 0.432 398 L N -0.331 120.764 121.223 -0.213 0.000 2.447 398 L HA -0.175 4.165 4.340 -0.001 0.000 0.225 398 L C 2.208 178.939 176.870 -0.232 0.000 1.148 398 L CA 0.788 55.443 54.840 -0.309 0.000 0.808 398 L CB -0.487 41.348 42.059 -0.374 0.000 0.928 398 L HN 0.298 nan 8.230 nan 0.000 0.448 399 A N -1.354 121.357 122.820 -0.182 0.000 2.252 399 A HA 0.434 4.754 4.320 -0.001 0.000 0.213 399 A C 1.919 179.444 177.584 -0.098 0.000 1.188 399 A CA 0.763 52.716 52.037 -0.140 0.000 0.863 399 A CB 0.105 19.009 19.000 -0.160 0.000 0.893 399 A HN 0.286 nan 8.150 nan 0.000 0.495 400 A N -1.801 120.978 122.820 -0.068 0.000 2.390 400 A HA 0.471 4.791 4.320 -0.001 0.000 0.225 400 A C 1.743 179.307 177.584 -0.033 0.000 1.232 400 A CA 1.119 53.142 52.037 -0.022 0.000 0.964 400 A CB 0.130 19.171 19.000 0.069 0.000 1.064 400 A HN 0.249 nan 8.150 nan 0.000 0.525 401 S N -0.759 114.903 115.700 -0.063 0.000 2.748 401 S HA 0.145 4.614 4.470 -0.001 0.000 0.241 401 S C 1.609 176.122 174.600 -0.145 0.000 1.064 401 S CA 0.737 58.897 58.200 -0.067 0.000 0.892 401 S CB -0.072 63.127 63.200 -0.001 0.000 0.810 401 S HN 0.629 nan 8.310 nan 0.000 0.555 402 I N 0.754 121.185 120.570 -0.232 0.000 3.603 402 I HA 0.247 4.416 4.170 -0.001 0.000 0.297 402 I C -0.250 175.800 176.117 -0.112 0.000 1.269 402 I CA 0.358 61.498 61.300 -0.267 0.000 1.361 402 I CB 0.106 37.792 38.000 -0.524 0.000 1.063 402 I HN 0.024 nan 8.210 nan 0.000 0.448 403 R N 0.789 121.229 120.500 -0.100 0.000 3.422 403 R HA -0.169 4.171 4.340 -0.001 0.000 0.267 403 R C -0.010 176.278 176.300 -0.019 0.000 1.074 403 R CA 0.785 56.850 56.100 -0.058 0.000 0.718 403 R CB -2.813 27.460 30.300 -0.045 0.000 1.157 403 R HN 0.572 nan 8.270 nan 0.000 0.440 404 A N 0.350 123.166 122.820 -0.008 0.000 3.064 404 A HA 0.468 4.787 4.320 -0.001 0.000 0.339 404 A C -1.082 176.514 177.584 0.020 0.000 1.078 404 A CA -1.106 50.968 52.037 0.062 0.000 0.869 404 A CB 0.805 19.942 19.000 0.228 0.000 1.067 404 A HN 0.003 nan 8.150 nan 0.000 0.480 405 P HA -0.153 nan 4.420 nan 0.000 0.215 405 P C 1.641 178.924 177.300 -0.027 0.000 1.157 405 P CA 0.576 63.647 63.100 -0.049 0.000 0.859 405 P CB 0.195 31.858 31.700 -0.061 0.000 0.786 406 L N 0.170 121.392 121.223 -0.002 0.000 2.081 406 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 406 L C 2.155 179.045 176.870 0.033 0.000 1.080 406 L CA 2.288 57.135 54.840 0.011 0.000 0.754 406 L CB -1.825 40.247 42.059 0.021 0.000 0.893 406 L HN -0.047 nan 8.230 nan 0.000 0.433 407 T N -0.834 113.766 114.554 0.077 0.000 2.812 407 T HA -0.049 4.301 4.350 -0.001 0.000 0.264 407 T C 1.706 176.424 174.700 0.030 0.000 1.042 407 T CA 1.063 63.224 62.100 0.101 0.000 1.140 407 T CB -0.804 68.216 68.868 0.254 0.000 0.870 407 T HN 0.580 nan 8.240 nan 0.000 0.445 408 G N 1.528 110.327 108.800 -0.000 0.000 2.459 408 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 408 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 408 G C 1.505 176.357 174.900 -0.081 0.000 1.183 408 G CA 0.687 45.752 45.100 -0.058 0.000 0.776 408 G HN 0.455 nan 8.290 nan 0.000 0.552 409 I N 0.666 121.190 120.570 -0.076 0.000 2.052 409 I HA -0.234 3.935 4.170 -0.001 0.000 0.235 409 I C 2.719 178.799 176.117 -0.061 0.000 1.046 409 I CA 1.335 62.589 61.300 -0.076 0.000 1.308 409 I CB -0.270 37.692 38.000 -0.063 0.000 1.031 409 I HN 0.133 nan 8.210 nan 0.000 0.395 410 I N -0.041 120.506 120.570 -0.038 0.000 2.423 410 I HA -0.290 3.879 4.170 -0.001 0.000 0.254 410 I C 2.373 178.449 176.117 -0.068 0.000 1.151 410 I CA 0.979 62.258 61.300 -0.036 0.000 1.421 410 I CB -0.291 37.699 38.000 -0.017 0.000 1.079 410 I HN 0.297 nan 8.210 nan 0.000 0.431 411 L N 0.254 121.423 121.223 -0.091 0.000 2.005 411 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 411 L C 2.463 179.230 176.870 -0.173 0.000 1.072 411 L CA 1.746 56.490 54.840 -0.161 0.000 0.744 411 L CB -0.433 41.499 42.059 -0.212 0.000 0.895 411 L HN -0.054 nan 8.230 nan 0.000 0.433 412 V N -0.081 119.746 119.914 -0.145 0.000 2.255 412 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 412 V C 2.565 178.600 176.094 -0.098 0.000 1.051 412 V CA 1.952 64.175 62.300 -0.127 0.000 1.018 412 V CB -0.932 30.821 31.823 -0.116 0.000 0.641 412 V HN 0.587 nan 8.190 nan 0.000 0.445 413 L N 0.516 121.695 121.223 -0.074 0.000 2.021 413 L HA -0.252 4.088 4.340 -0.001 0.000 0.215 413 L C 2.327 179.171 176.870 -0.044 0.000 1.074 413 L CA 2.163 56.981 54.840 -0.037 0.000 0.760 413 L CB -0.823 41.239 42.059 0.005 0.000 0.889 413 L HN 0.395 nan 8.230 nan 0.000 0.433 414 E N -1.431 118.728 120.200 -0.069 0.000 2.409 414 E HA -0.155 4.194 4.350 -0.001 0.000 0.198 414 E C 1.909 178.458 176.600 -0.085 0.000 1.024 414 E CA 1.050 57.405 56.400 -0.076 0.000 0.861 414 E CB -0.029 29.616 29.700 -0.091 0.000 0.788 414 E HN 0.609 nan 8.360 nan 0.000 0.521 415 M N -1.203 118.338 119.600 -0.100 0.000 2.638 415 M HA 0.003 4.482 4.480 -0.001 0.000 0.256 415 M C 2.160 178.411 176.300 -0.082 0.000 1.282 415 M CA 0.822 56.057 55.300 -0.110 0.000 1.155 415 M CB 0.557 33.059 32.600 -0.164 0.000 1.345 415 M HN 0.069 nan 8.290 nan 0.000 0.523 416 T N -3.985 110.527 114.554 -0.069 0.000 3.015 416 T HA 0.030 4.379 4.350 -0.001 0.000 0.250 416 T C 0.631 175.310 174.700 -0.036 0.000 1.057 416 T CA 0.374 62.444 62.100 -0.050 0.000 1.066 416 T CB -0.029 68.808 68.868 -0.051 0.000 0.959 416 T HN 0.289 nan 8.240 nan 0.000 0.488 417 D N 1.978 122.360 120.400 -0.030 0.000 2.697 417 D HA -0.169 4.471 4.640 -0.001 0.000 0.235 417 D C -0.761 175.541 176.300 0.002 0.000 1.167 417 D CA 0.358 54.354 54.000 -0.008 0.000 0.656 417 D CB -1.989 38.804 40.800 -0.011 0.000 1.025 417 D HN 0.586 nan 8.370 nan 0.000 0.419 418 N N 1.037 119.732 118.700 -0.009 0.000 2.914 418 N HA 0.009 4.748 4.740 -0.001 0.000 0.304 418 N C 0.620 176.106 175.510 -0.040 0.000 1.727 418 N CA -0.415 52.617 53.050 -0.029 0.000 0.986 418 N CB 0.142 38.590 38.487 -0.066 0.000 1.297 418 N HN 0.295 nan 8.380 nan 0.000 0.490 419 Y N 2.335 122.591 120.300 -0.073 0.000 2.298 419 Y HA -0.282 4.268 4.550 -0.001 0.000 0.287 419 Y C 1.901 177.749 175.900 -0.087 0.000 1.164 419 Y CA 1.926 59.980 58.100 -0.077 0.000 1.229 419 Y CB 0.219 38.642 38.460 -0.061 0.000 0.977 419 Y HN 0.321 nan 8.280 nan 0.000 0.538 420 Q N 0.050 119.673 119.800 -0.295 0.000 2.364 420 Q HA -0.083 4.257 4.340 -0.001 0.000 0.209 420 Q C 1.310 177.084 176.000 -0.378 0.000 0.977 420 Q CA 1.642 57.239 55.803 -0.342 0.000 0.885 420 Q CB -0.651 27.985 28.738 -0.170 0.000 0.941 420 Q HN 0.540 nan 8.270 nan 0.000 0.464 421 L N -0.130 120.883 121.223 -0.350 0.000 2.653 421 L HA 0.162 4.501 4.340 -0.001 0.000 0.232 421 L C 1.257 177.887 176.870 -0.401 0.000 1.169 421 L CA -0.342 54.278 54.840 -0.365 0.000 0.951 421 L CB -0.067 41.809 42.059 -0.305 0.000 1.181 421 L HN 0.173 nan 8.230 nan 0.000 0.460 422 I N 0.049 120.332 120.570 -0.478 0.000 2.163 422 I HA -0.290 3.879 4.170 -0.001 0.000 0.243 422 I C 2.113 178.050 176.117 -0.299 0.000 1.085 422 I CA 1.650 62.717 61.300 -0.388 0.000 1.347 422 I CB 0.049 37.739 38.000 -0.515 0.000 1.044 422 I HN 0.163 nan 8.210 nan 0.000 0.408 423 L N 0.962 121.996 121.223 -0.315 0.000 1.970 423 L HA -0.139 4.200 4.340 -0.001 0.000 0.212 423 L C -0.337 176.338 176.870 -0.326 0.000 1.071 423 L CA 2.523 57.208 54.840 -0.257 0.000 0.751 423 L CB -2.268 39.661 42.059 -0.216 0.000 0.889 423 L HN 0.156 nan 8.230 nan 0.000 0.432 424 P HA -0.202 nan 4.420 nan 0.000 0.216 424 P C 2.078 179.073 177.300 -0.509 0.000 1.150 424 P CA 1.672 64.249 63.100 -0.871 0.000 0.843 424 P CB -0.106 30.562 31.700 -1.720 0.000 0.787 425 M N -1.902 117.460 119.600 -0.397 0.000 2.086 425 M HA -0.139 4.341 4.480 -0.001 0.000 0.261 425 M C 2.192 178.377 176.300 -0.193 0.000 1.067 425 M CA 1.842 56.985 55.300 -0.261 0.000 1.116 425 M CB -0.870 31.599 32.600 -0.218 0.000 1.348 425 M HN -0.086 nan 8.290 nan 0.000 0.407 426 I N 0.374 120.843 120.570 -0.169 0.000 2.113 426 I HA -0.307 3.862 4.170 -0.001 0.000 0.238 426 I C 2.331 178.386 176.117 -0.103 0.000 1.070 426 I CA 1.424 62.654 61.300 -0.117 0.000 1.332 426 I CB -0.320 37.624 38.000 -0.094 0.000 1.044 426 I HN 0.208 nan 8.210 nan 0.000 0.402 427 I N 0.308 120.817 120.570 -0.103 0.000 2.151 427 I HA -0.349 3.820 4.170 -0.001 0.000 0.243 427 I C 2.536 178.631 176.117 -0.036 0.000 1.080 427 I CA 1.793 63.062 61.300 -0.050 0.000 1.339 427 I CB -0.544 37.443 38.000 -0.021 0.000 1.039 427 I HN 0.304 nan 8.210 nan 0.000 0.409 428 T N 0.225 114.745 114.554 -0.056 0.000 2.674 428 T HA -0.137 4.213 4.350 -0.001 0.000 0.265 428 T C 1.925 176.554 174.700 -0.118 0.000 1.039 428 T CA 1.529 63.592 62.100 -0.061 0.000 1.150 428 T CB -0.917 67.905 68.868 -0.077 0.000 0.864 428 T HN 0.582 nan 8.240 nan 0.000 0.427 429 G N 1.349 110.060 108.800 -0.149 0.000 2.476 429 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 429 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 429 G C 1.563 176.399 174.900 -0.107 0.000 1.164 429 G CA 1.048 46.055 45.100 -0.154 0.000 0.768 429 G HN 0.426 nan 8.290 nan 0.000 0.560 430 L N 1.136 122.311 121.223 -0.081 0.000 2.027 430 L HA 0.157 4.497 4.340 -0.001 0.000 0.206 430 L C 2.909 179.745 176.870 -0.056 0.000 1.074 430 L CA 2.222 57.024 54.840 -0.063 0.000 0.745 430 L CB -0.790 41.243 42.059 -0.044 0.000 0.898 430 L HN 0.189 nan 8.230 nan 0.000 0.433 431 G N -1.226 107.553 108.800 -0.035 0.000 2.462 431 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.220 431 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.220 431 G C 1.519 176.409 174.900 -0.017 0.000 1.121 431 G CA 0.794 45.888 45.100 -0.010 0.000 0.758 431 G HN 0.616 nan 8.290 nan 0.000 0.559 432 A N 0.420 123.220 122.820 -0.034 0.000 1.898 432 A HA 0.083 4.403 4.320 -0.001 0.000 0.214 432 A C 2.543 180.098 177.584 -0.049 0.000 1.183 432 A CA 2.156 54.186 52.037 -0.011 0.000 0.622 432 A CB -0.671 18.312 19.000 -0.030 0.000 0.824 432 A HN 0.284 nan 8.150 nan 0.000 0.444 433 T N 0.403 114.906 114.554 -0.085 0.000 2.915 433 T HA -0.003 4.347 4.350 -0.001 0.000 0.269 433 T C 1.783 176.369 174.700 -0.190 0.000 1.071 433 T CA 1.110 63.142 62.100 -0.114 0.000 1.132 433 T CB -0.293 68.513 68.868 -0.104 0.000 0.878 433 T HN 0.295 nan 8.240 nan 0.000 0.479 434 L N 0.203 121.302 121.223 -0.207 0.000 2.056 434 L HA 0.042 4.381 4.340 -0.001 0.000 0.207 434 L C 2.402 178.997 176.870 -0.459 0.000 1.078 434 L CA 0.968 55.577 54.840 -0.384 0.000 0.749 434 L CB -0.329 41.608 42.059 -0.203 0.000 0.901 434 L HN 0.247 nan 8.230 nan 0.000 0.433 435 L N -0.777 120.348 121.223 -0.163 0.000 2.341 435 L HA 0.017 4.357 4.340 -0.001 0.000 0.214 435 L C 2.473 179.321 176.870 -0.037 0.000 1.115 435 L CA 0.900 55.718 54.840 -0.037 0.000 0.820 435 L CB -0.769 41.324 42.059 0.056 0.000 0.944 435 L HN 0.184 nan 8.230 nan 0.000 0.452 436 A N -0.981 121.795 122.820 -0.073 0.000 2.206 436 A HA -0.145 4.175 4.320 -0.001 0.000 0.211 436 A C 2.155 179.689 177.584 -0.083 0.000 1.158 436 A CA 0.648 52.652 52.037 -0.055 0.000 0.761 436 A CB -0.142 18.833 19.000 -0.043 0.000 0.801 436 A HN 0.453 nan 8.150 nan 0.000 0.473 437 Q N -1.224 118.466 119.800 -0.183 0.000 2.134 437 Q HA -0.001 4.338 4.340 -0.001 0.000 0.195 437 Q C 0.683 176.672 176.000 -0.019 0.000 0.958 437 Q CA 0.849 56.544 55.803 -0.181 0.000 0.840 437 Q CB -0.028 28.494 28.738 -0.360 0.000 0.918 437 Q HN 0.564 nan 8.270 nan 0.000 0.467 438 F N 0.746 120.707 119.950 0.017 0.000 2.802 438 F HA 0.055 4.581 4.527 -0.001 0.000 0.300 438 F C 1.591 177.401 175.800 0.016 0.000 1.168 438 F CA 0.986 58.997 58.000 0.018 0.000 1.433 438 F CB -0.178 38.835 39.000 0.021 0.000 1.115 438 F HN 0.138 nan 8.300 nan 0.000 0.582 439 T N -4.241 110.404 114.554 0.151 0.000 3.132 439 T HA 0.462 4.811 4.350 -0.001 0.000 0.274 439 T C 1.439 176.172 174.700 0.054 0.000 1.011 439 T CA 0.193 62.348 62.100 0.091 0.000 0.899 439 T CB 0.136 69.042 68.868 0.062 0.000 1.089 439 T HN 0.334 nan 8.240 nan 0.000 0.543 440 G N 0.681 109.518 108.800 0.060 0.000 2.176 440 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.252 440 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.252 440 G C 0.473 175.381 174.900 0.013 0.000 1.024 440 G CA -0.231 44.894 45.100 0.042 0.000 0.755 440 G HN 1.031 nan 8.290 nan 0.000 0.507 441 G N -0.859 107.938 108.800 -0.005 0.000 2.616 441 G HA2 0.616 4.575 3.960 -0.001 0.000 0.268 441 G HA3 0.616 4.575 3.960 -0.001 0.000 0.268 441 G C -0.066 174.826 174.900 -0.012 0.000 1.213 441 G CA -0.232 44.853 45.100 -0.024 0.000 0.926 441 G HN 0.521 nan 8.290 nan 0.000 0.523 442 K N 0.207 120.599 120.400 -0.013 0.000 2.508 442 K HA 0.334 4.654 4.320 -0.001 0.000 0.260 442 K C -2.792 173.810 176.600 0.003 0.000 0.949 442 K CA -1.803 54.489 56.287 0.007 0.000 0.834 442 K CB 2.731 35.246 32.500 0.025 0.000 1.365 442 K HN 0.106 nan 8.250 nan 0.000 0.437 443 P HA -0.110 nan 4.420 nan 0.000 0.247 443 P C 0.824 178.143 177.300 0.032 0.000 1.147 443 P CA 0.236 63.347 63.100 0.018 0.000 0.964 443 P CB 0.107 31.840 31.700 0.056 0.000 0.944 444 L N 2.980 124.184 121.223 -0.032 0.000 2.197 444 L HA -0.244 4.096 4.340 -0.001 0.000 0.215 444 L C 1.365 178.302 176.870 0.113 0.000 1.095 444 L CA 2.134 56.964 54.840 -0.017 0.000 0.764 444 L CB -0.501 41.487 42.059 -0.117 0.000 0.897 444 L HN 0.418 nan 8.230 nan 0.000 0.436 445 Y N -1.230 119.124 120.300 0.089 0.000 2.286 445 Y HA -0.185 4.365 4.550 -0.001 0.000 0.293 445 Y C 2.858 178.816 175.900 0.095 0.000 1.124 445 Y CA 0.739 58.908 58.100 0.116 0.000 1.178 445 Y CB 0.061 38.610 38.460 0.148 0.000 1.010 445 Y HN 0.181 nan 8.280 nan 0.000 0.536 446 S N 0.045 115.882 115.700 0.229 0.000 2.355 446 S HA -0.206 4.264 4.470 -0.001 0.000 0.222 446 S C 2.268 176.949 174.600 0.135 0.000 1.031 446 S CA 1.006 59.305 58.200 0.164 0.000 0.993 446 S CB -0.492 62.800 63.200 0.153 0.000 0.859 446 S HN 0.505 nan 8.310 nan 0.000 0.453 447 A N 1.281 124.172 122.820 0.118 0.000 1.978 447 A HA -0.077 4.243 4.320 -0.001 0.000 0.220 447 A C 2.005 179.647 177.584 0.096 0.000 1.170 447 A CA 1.178 53.268 52.037 0.088 0.000 0.636 447 A CB -0.684 18.354 19.000 0.063 0.000 0.810 447 A HN 0.523 nan 8.150 nan 0.000 0.448 448 I N -1.205 119.449 120.570 0.141 0.000 2.315 448 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 448 I C 2.381 178.561 176.117 0.104 0.000 1.117 448 I CA 0.965 62.350 61.300 0.141 0.000 1.404 448 I CB -0.213 37.926 38.000 0.232 0.000 1.071 448 I HN 0.361 nan 8.210 nan 0.000 0.419 449 L N 1.094 122.381 121.223 0.108 0.000 2.072 449 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 449 L C 2.584 179.490 176.870 0.059 0.000 1.079 449 L CA 1.964 56.851 54.840 0.077 0.000 0.752 449 L CB -0.722 41.386 42.059 0.082 0.000 0.906 449 L HN 0.143 nan 8.230 nan 0.000 0.436 450 A N -0.542 122.316 122.820 0.062 0.000 1.877 450 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 450 A C 2.374 179.975 177.584 0.029 0.000 1.186 450 A CA 1.450 53.512 52.037 0.041 0.000 0.620 450 A CB -0.507 18.518 19.000 0.041 0.000 0.822 450 A HN 0.389 nan 8.150 nan 0.000 0.443 451 R N -0.863 119.657 120.500 0.033 0.000 2.094 451 R HA -0.122 4.217 4.340 -0.001 0.000 0.239 451 R C 2.294 178.603 176.300 0.016 0.000 1.137 451 R CA 2.015 58.127 56.100 0.020 0.000 0.943 451 R CB -1.393 28.921 30.300 0.023 0.000 0.850 451 R HN 0.535 nan 8.270 nan 0.000 0.433 452 T N 1.554 116.124 114.554 0.026 0.000 2.821 452 T HA -0.077 4.273 4.350 -0.001 0.000 0.267 452 T C 1.794 176.504 174.700 0.017 0.000 1.046 452 T CA 0.825 62.938 62.100 0.021 0.000 1.139 452 T CB -0.080 68.805 68.868 0.029 0.000 0.871 452 T HN -0.032 nan 8.240 nan 0.000 0.454 453 L N 0.768 122.003 121.223 0.020 0.000 2.109 453 L HA 0.221 4.561 4.340 -0.001 0.000 0.207 453 L C 2.598 179.474 176.870 0.010 0.000 1.086 453 L CA 1.249 56.099 54.840 0.016 0.000 0.760 453 L CB -0.936 41.135 42.059 0.020 0.000 0.910 453 L HN 0.199 nan 8.230 nan 0.000 0.437 454 A N -1.348 121.477 122.820 0.008 0.000 1.929 454 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 454 A C 2.348 179.932 177.584 0.000 0.000 1.176 454 A CA 1.222 53.260 52.037 0.002 0.000 0.628 454 A CB -0.370 18.630 19.000 0.001 0.000 0.816 454 A HN 0.298 nan 8.150 nan 0.000 0.444 455 K N -0.567 119.832 120.400 -0.001 0.000 2.362 455 K HA -0.123 4.196 4.320 -0.001 0.000 0.200 455 K C 2.142 178.742 176.600 0.000 0.000 1.046 455 K CA 1.141 57.425 56.287 -0.005 0.000 0.952 455 K CB -0.051 32.442 32.500 -0.012 0.000 0.753 455 K HN 0.687 nan 8.250 nan 0.000 0.466 456 Q N 0.642 120.445 119.800 0.004 0.000 2.096 456 Q HA -0.171 4.168 4.340 -0.001 0.000 0.197 456 Q C 1.760 177.763 176.000 0.006 0.000 0.964 456 Q CA 1.567 57.374 55.803 0.007 0.000 0.838 456 Q CB 0.187 28.931 28.738 0.009 0.000 0.906 456 Q HN 0.449 nan 8.270 nan 0.000 0.444 457 E N -0.374 119.828 120.200 0.004 0.000 2.170 457 E HA 0.105 4.455 4.350 -0.001 0.000 0.191 457 E C 0.548 177.149 176.600 0.002 0.000 0.981 457 E CA 0.492 56.895 56.400 0.003 0.000 0.830 457 E CB -0.033 29.668 29.700 0.002 0.000 0.775 457 E HN 0.250 nan 8.360 nan 0.000 0.470 458 A N 0.000 122.820 122.820 0.000 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 458 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 458 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486