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 2al6_1_B DATA FIRST_RESID 33 DATA SEQUENCE MERVLKVFHY FENSSEPTTW ASIIRHGDAT DVRGIIQKIV DCHKVKNVAC DATA SEQUENCE YGLRLSHLQS EEVHWLHLDM GVSNVREKFE LAHPPEEWKY ELRIRYLPKG DATA SEQUENCE FLNQFTEDKP TLNFFYQQVK NDYMLEIADQ VDQEIALKLG CLEIRRSYGE DATA SEQUENCE MRGNALEKKS NYEVLEKDVG LRRFFPKSLL DSVKAKTLRK LIQQTFRQFA DATA SEQUENCE NLNREESILK FFEILSPVYR FDKECFKCAL GSSWIISVEL AIGPEEGISY DATA SEQUENCE LTDKGANPTH LADFNQVQTI QYSNSEDKDR KGMLQLKIAG APEPLTVTAP DATA SEQUENCE SLTIAENMAD LIDGYCRLVN GATQSFIIRP QKEGERALPS IPKXXXXXXX DATA SEQUENCE XXXXXXXXXX XTDDYAEII 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 33 M HA 0.000 nan 4.480 nan 0.000 0.227 33 M C 0.000 176.262 176.300 -0.063 0.000 1.140 33 M CA 0.000 55.278 55.300 -0.037 0.000 0.988 33 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 34 E N 2.488 122.634 120.200 -0.090 0.000 2.224 34 E HA 0.562 4.923 4.350 0.018 0.000 0.265 34 E C -0.782 175.689 176.600 -0.214 0.000 0.878 34 E CA -0.713 55.590 56.400 -0.162 0.000 0.759 34 E CB 2.797 32.424 29.700 -0.121 0.000 1.164 34 E HN 0.510 nan 8.360 nan 0.000 0.414 35 R N 0.732 120.999 120.500 -0.389 0.000 2.543 35 R HA 0.500 4.851 4.340 0.018 0.000 0.268 35 R C -0.432 175.686 176.300 -0.304 0.000 1.067 35 R CA -0.712 55.193 56.100 -0.324 0.000 1.142 35 R CB 1.283 31.416 30.300 -0.277 0.000 1.110 35 R HN 0.201 nan 8.270 nan 0.000 0.549 36 V N 2.823 122.679 119.914 -0.097 0.000 2.495 36 V HA 0.496 4.627 4.120 0.018 0.000 0.298 36 V C -1.413 174.703 176.094 0.037 0.000 1.031 36 V CA -0.836 61.454 62.300 -0.017 0.000 0.871 36 V CB 1.522 33.332 31.823 -0.021 0.000 0.988 36 V HN 0.493 nan 8.190 nan 0.000 0.432 37 L N 6.239 127.494 121.223 0.053 0.000 2.381 37 L HA 0.605 4.956 4.340 0.018 0.000 0.274 37 L C -0.481 176.358 176.870 -0.052 0.000 0.988 37 L CA -0.276 54.536 54.840 -0.046 0.000 0.824 37 L CB 1.747 43.722 42.059 -0.140 0.000 1.263 37 L HN 0.745 nan 8.230 nan 0.000 0.410 38 K N 4.306 124.678 120.400 -0.047 0.000 2.253 38 K HA 0.617 4.948 4.320 0.018 0.000 0.277 38 K C -1.629 174.988 176.600 0.028 0.000 1.053 38 K CA -0.543 55.722 56.287 -0.037 0.000 0.892 38 K CB 1.040 33.516 32.500 -0.040 0.000 1.102 38 K HN 0.532 nan 8.250 nan 0.000 0.469 39 V N 6.156 126.085 119.914 0.024 0.000 2.378 39 V HA 0.339 4.470 4.120 0.018 0.000 0.288 39 V C -0.495 175.678 176.094 0.132 0.000 1.016 39 V CA -0.836 61.572 62.300 0.181 0.000 0.840 39 V CB 0.594 32.537 31.823 0.200 0.000 0.994 39 V HN 0.608 nan 8.190 nan 0.000 0.431 40 F N 5.236 125.251 119.950 0.108 0.000 2.410 40 F HA 0.532 5.069 4.527 0.018 0.000 0.334 40 F C 0.977 176.794 175.800 0.029 0.000 1.134 40 F CA 0.066 58.040 58.000 -0.043 0.000 1.227 40 F CB 0.542 39.468 39.000 -0.122 0.000 1.194 40 F HN 0.703 nan 8.300 nan 0.000 0.571 41 H N -0.296 118.825 119.070 0.085 0.000 2.928 41 H HA 0.304 4.872 4.556 0.020 0.000 0.285 41 H C -1.752 173.330 175.328 -0.411 0.000 1.438 41 H CA -0.883 55.197 56.048 0.053 0.000 1.176 41 H CB 0.951 30.947 29.762 0.389 0.000 1.864 41 H HN 0.562 nan 8.280 nan 0.000 0.567 42 Y N -0.069 120.004 120.300 -0.378 0.000 2.736 42 Y HA 0.316 4.876 4.550 0.017 0.000 0.293 42 Y C -0.631 175.018 175.900 -0.419 0.000 1.062 42 Y CA -0.548 57.239 58.100 -0.523 0.000 1.247 42 Y CB 0.120 37.869 38.460 -1.184 0.000 1.200 42 Y HN 0.274 nan 8.280 nan 0.000 0.552 43 F N 1.310 121.417 119.950 0.262 0.000 2.375 43 F HA 0.186 4.723 4.527 0.017 0.000 0.362 43 F C 0.895 176.376 175.800 -0.531 0.000 1.129 43 F CA -0.898 57.050 58.000 -0.087 0.000 1.154 43 F CB 0.428 39.080 39.000 -0.580 0.000 1.205 43 F HN 0.098 nan 8.300 nan 0.000 0.513 44 E N 3.182 123.070 120.200 -0.521 0.000 2.765 44 E HA -0.129 4.232 4.350 0.018 0.000 0.256 44 E C 0.065 176.242 176.600 -0.705 0.000 0.935 44 E CA 0.411 56.227 56.400 -0.972 0.000 0.954 44 E CB 0.429 29.927 29.700 -0.338 0.000 0.908 44 E HN 0.649 nan 8.360 nan 0.000 0.500 45 N N 1.743 119.863 118.700 -0.968 0.000 3.261 45 N HA 0.063 4.814 4.740 0.018 0.000 0.217 45 N C 0.542 175.957 175.510 -0.159 0.000 1.152 45 N CA 0.364 53.159 53.050 -0.424 0.000 1.153 45 N CB 0.407 38.660 38.487 -0.390 0.000 1.474 45 N HN 0.402 nan 8.380 nan 0.000 0.577 46 S N -0.378 115.325 115.700 0.005 0.000 3.897 46 S HA 0.062 4.543 4.470 0.018 0.000 0.214 46 S C 0.403 175.155 174.600 0.255 0.000 1.102 46 S CA 0.418 58.693 58.200 0.125 0.000 1.116 46 S CB -1.021 62.224 63.200 0.075 0.000 1.288 46 S HN 0.424 nan 8.310 nan 0.000 0.458 47 S N 1.728 117.615 115.700 0.313 0.000 2.629 47 S HA 0.425 4.906 4.470 0.018 0.000 0.250 47 S C 0.286 175.012 174.600 0.210 0.000 1.318 47 S CA -0.147 58.192 58.200 0.233 0.000 0.970 47 S CB -0.415 62.884 63.200 0.165 0.000 0.996 47 S HN 0.528 nan 8.310 nan 0.000 0.563 48 E N 1.632 121.796 120.200 -0.060 0.000 2.413 48 E HA 0.220 4.581 4.350 0.018 0.000 0.263 48 E C -1.913 174.171 176.600 -0.860 0.000 1.015 48 E CA -1.812 54.405 56.400 -0.304 0.000 0.916 48 E CB 0.451 29.993 29.700 -0.263 0.000 0.947 48 E HN 0.291 nan 8.360 nan 0.000 0.440 49 P HA -0.151 nan 4.420 nan 0.000 0.219 49 P C 0.615 177.067 177.300 -1.414 0.000 1.146 49 P CA 1.695 63.595 63.100 -2.000 0.000 0.808 49 P CB 0.170 31.253 31.700 -1.028 0.000 0.779 50 T N -6.015 108.063 114.554 -0.793 0.000 3.107 50 T HA 0.033 4.394 4.350 0.018 0.000 0.249 50 T C 1.359 175.885 174.700 -0.290 0.000 1.096 50 T CA 0.971 62.784 62.100 -0.479 0.000 1.012 50 T CB -1.060 67.615 68.868 -0.322 0.000 0.977 50 T HN 0.139 nan 8.240 nan 0.000 0.527 51 T N -3.057 111.277 114.554 -0.367 0.000 3.022 51 T HA 0.195 4.556 4.350 0.018 0.000 0.250 51 T C 0.321 174.989 174.700 -0.052 0.000 1.060 51 T CA -0.796 61.246 62.100 -0.097 0.000 1.013 51 T CB -0.334 68.483 68.868 -0.085 0.000 0.982 51 T HN 0.323 nan 8.240 nan 0.000 0.508 52 W N 2.576 123.750 121.300 -0.209 0.000 2.223 52 W HA 0.640 5.313 4.660 0.022 0.000 0.334 52 W C 0.484 176.619 176.519 -0.641 0.000 1.334 52 W CA -1.078 56.038 57.345 -0.381 0.000 1.246 52 W CB -0.782 28.425 29.460 -0.423 0.000 1.184 52 W HN 0.445 nan 8.180 nan 0.000 0.563 53 A N 1.851 124.415 122.820 -0.427 0.000 2.586 53 A HA 0.651 4.982 4.320 0.018 0.000 0.291 53 A C -1.306 176.268 177.584 -0.017 0.000 1.062 53 A CA -0.706 51.050 52.037 -0.469 0.000 0.666 53 A CB 1.133 19.597 19.000 -0.894 0.000 1.281 53 A HN 0.269 nan 8.150 nan 0.000 0.421 54 S N 0.968 116.749 115.700 0.134 0.000 2.519 54 S HA 0.600 5.081 4.470 0.018 0.000 0.309 54 S C -0.499 174.120 174.600 0.031 0.000 1.100 54 S CA -0.518 57.773 58.200 0.153 0.000 1.059 54 S CB 0.855 64.191 63.200 0.225 0.000 1.008 54 S HN 0.514 nan 8.310 nan 0.000 0.478 55 I N 4.159 124.728 120.570 -0.001 0.000 2.371 55 I HA 0.397 4.578 4.170 0.018 0.000 0.290 55 I C -0.161 175.951 176.117 -0.009 0.000 1.028 55 I CA -0.253 61.036 61.300 -0.018 0.000 1.345 55 I CB 0.159 38.144 38.000 -0.025 0.000 1.407 55 I HN 0.543 nan 8.210 nan 0.000 0.501 56 I N 6.007 126.576 120.570 -0.001 0.000 2.509 56 I HA 0.450 4.631 4.170 0.018 0.000 0.293 56 I C 0.224 176.366 176.117 0.041 0.000 1.020 56 I CA -0.801 60.500 61.300 0.003 0.000 1.088 56 I CB 2.207 40.207 38.000 0.000 0.000 1.267 56 I HN 0.467 nan 8.210 nan 0.000 0.430 57 R N 5.567 126.071 120.500 0.006 0.000 2.312 57 R HA 0.493 4.844 4.340 0.018 0.000 0.311 57 R C -0.979 175.336 176.300 0.025 0.000 1.004 57 R CA -0.405 55.687 56.100 -0.014 0.000 0.902 57 R CB 0.774 31.046 30.300 -0.045 0.000 1.073 57 R HN 0.764 nan 8.270 nan 0.000 0.457 58 H N 0.706 119.745 119.070 -0.051 0.000 2.990 58 H HA 0.505 5.072 4.556 0.018 0.000 0.343 58 H C -0.947 174.375 175.328 -0.010 0.000 1.270 58 H CA -0.949 55.076 56.048 -0.039 0.000 1.118 58 H CB 1.376 31.114 29.762 -0.041 0.000 1.861 58 H HN 0.704 nan 8.280 nan 0.000 0.544 59 G N -0.652 108.193 108.800 0.075 0.000 2.552 59 G HA2 0.164 4.135 3.960 0.018 0.000 0.318 59 G HA3 0.164 4.135 3.960 0.018 0.000 0.318 59 G C -0.065 174.906 174.900 0.118 0.000 1.240 59 G CA -0.569 44.547 45.100 0.027 0.000 1.002 59 G HN 0.645 nan 8.290 nan 0.000 0.493 60 D N -0.116 120.323 120.400 0.065 0.000 2.363 60 D HA 0.093 4.744 4.640 0.018 0.000 0.226 60 D C 1.810 178.161 176.300 0.084 0.000 1.020 60 D CA 0.795 54.844 54.000 0.081 0.000 0.892 60 D CB 0.671 41.494 40.800 0.039 0.000 0.900 60 D HN 0.330 nan 8.370 nan 0.000 0.531 61 A N -0.173 122.701 122.820 0.090 0.000 2.287 61 A HA 0.105 4.436 4.320 0.018 0.000 0.214 61 A C 1.115 178.751 177.584 0.087 0.000 1.228 61 A CA -0.090 51.992 52.037 0.075 0.000 0.939 61 A CB 0.124 19.160 19.000 0.060 0.000 0.992 61 A HN 0.022 nan 8.150 nan 0.000 0.502 62 T N 3.240 117.864 114.554 0.117 0.000 2.908 62 T HA 0.282 4.643 4.350 0.018 0.000 0.301 62 T C -0.131 174.603 174.700 0.057 0.000 1.019 62 T CA 0.445 62.607 62.100 0.103 0.000 1.152 62 T CB 0.326 69.275 68.868 0.134 0.000 0.966 62 T HN 0.602 nan 8.240 nan 0.000 0.540 63 D N 2.113 122.543 120.400 0.050 0.000 2.385 63 D HA 0.200 4.851 4.640 0.018 0.000 0.254 63 D C 1.230 177.545 176.300 0.025 0.000 1.053 63 D CA -1.018 53.008 54.000 0.043 0.000 0.992 63 D CB 0.747 41.581 40.800 0.058 0.000 1.145 63 D HN 0.204 nan 8.370 nan 0.000 0.523 64 V N 0.574 120.514 119.914 0.043 0.000 2.332 64 V HA -0.240 3.891 4.120 0.018 0.000 0.248 64 V C 2.708 178.832 176.094 0.049 0.000 1.055 64 V CA 2.197 64.528 62.300 0.052 0.000 1.038 64 V CB -0.793 31.088 31.823 0.095 0.000 0.651 64 V HN 0.665 nan 8.190 nan 0.000 0.450 65 R N 0.239 120.765 120.500 0.043 0.000 2.117 65 R HA -0.177 4.174 4.340 0.018 0.000 0.243 65 R C 2.275 178.596 176.300 0.035 0.000 1.143 65 R CA 1.918 58.039 56.100 0.036 0.000 0.968 65 R CB -0.707 29.609 30.300 0.027 0.000 0.863 65 R HN 0.550 nan 8.270 nan 0.000 0.444 66 G N 1.226 110.048 108.800 0.036 0.000 2.408 66 G HA2 -0.172 3.799 3.960 0.018 0.000 0.217 66 G HA3 -0.172 3.799 3.960 0.018 0.000 0.217 66 G C 1.407 176.306 174.900 -0.001 0.000 1.150 66 G CA 0.427 45.548 45.100 0.034 0.000 0.776 66 G HN 0.180 nan 8.290 nan 0.000 0.542 67 I N 1.094 121.660 120.570 -0.006 0.000 2.202 67 I HA -0.062 4.119 4.170 0.018 0.000 0.242 67 I C 2.821 178.946 176.117 0.012 0.000 1.091 67 I CA 0.811 62.102 61.300 -0.015 0.000 1.368 67 I CB -0.995 36.995 38.000 -0.016 0.000 1.058 67 I HN 0.176 nan 8.210 nan 0.000 0.410 68 I N 0.290 120.884 120.570 0.040 0.000 2.179 68 I HA -0.342 3.839 4.170 0.018 0.000 0.242 68 I C 2.670 178.778 176.117 -0.014 0.000 1.088 68 I CA 1.310 62.639 61.300 0.047 0.000 1.357 68 I CB -0.396 37.657 38.000 0.089 0.000 1.051 68 I HN 0.247 nan 8.210 nan 0.000 0.409 69 Q N 1.395 121.188 119.800 -0.012 0.000 2.061 69 Q HA -0.276 4.075 4.340 0.018 0.000 0.204 69 Q C 2.076 178.042 176.000 -0.056 0.000 0.984 69 Q CA 1.991 57.775 55.803 -0.031 0.000 0.846 69 Q CB -0.125 28.615 28.738 0.003 0.000 0.902 69 Q HN 0.171 nan 8.270 nan 0.000 0.421 70 K N 0.190 120.557 120.400 -0.055 0.000 2.026 70 K HA -0.092 4.239 4.320 0.018 0.000 0.208 70 K C 1.742 178.279 176.600 -0.105 0.000 1.048 70 K CA 1.742 57.976 56.287 -0.088 0.000 0.929 70 K CB -0.489 31.934 32.500 -0.127 0.000 0.713 70 K HN 0.383 nan 8.250 nan 0.000 0.439 71 I N 0.713 121.238 120.570 -0.075 0.000 2.252 71 I HA -0.226 3.955 4.170 0.018 0.000 0.245 71 I C 2.177 178.219 176.117 -0.124 0.000 1.102 71 I CA 1.220 62.483 61.300 -0.061 0.000 1.385 71 I CB -0.408 37.616 38.000 0.040 0.000 1.064 71 I HN 0.084 nan 8.210 nan 0.000 0.414 72 V N -1.797 118.013 119.914 -0.174 0.000 2.427 72 V HA -0.189 3.942 4.120 0.018 0.000 0.248 72 V C 1.876 177.815 176.094 -0.259 0.000 1.051 72 V CA 1.786 63.903 62.300 -0.304 0.000 1.048 72 V CB -0.781 30.750 31.823 -0.486 0.000 0.666 72 V HN 0.304 nan 8.190 nan 0.000 0.456 73 D N -0.165 120.124 120.400 -0.185 0.000 2.178 73 D HA -0.138 4.513 4.640 0.018 0.000 0.202 73 D C 2.178 178.363 176.300 -0.192 0.000 0.974 73 D CA 1.679 55.589 54.000 -0.149 0.000 0.841 73 D CB -0.281 40.462 40.800 -0.095 0.000 0.953 73 D HN 0.629 nan 8.370 nan 0.000 0.478 74 C N 0.883 120.034 119.300 -0.248 0.000 2.422 74 C HA -0.124 4.347 4.460 0.018 0.000 0.279 74 C C 1.895 176.569 174.990 -0.525 0.000 1.305 74 C CA 0.653 59.457 59.018 -0.357 0.000 1.757 74 C CB -1.148 26.351 27.740 -0.402 0.000 1.962 74 C HN 0.348 nan 8.230 nan 0.000 0.499 75 H N -0.532 118.257 119.070 -0.469 0.000 2.507 75 H HA 0.138 4.704 4.556 0.016 0.000 0.294 75 H C 0.346 175.483 175.328 -0.318 0.000 1.064 75 H CA 0.084 55.821 56.048 -0.519 0.000 1.138 75 H CB 0.007 29.099 29.762 -1.118 0.000 1.515 75 H HN 0.248 nan 8.280 nan 0.000 0.547 76 K N 0.724 121.028 120.400 -0.160 0.000 3.451 76 K HA -0.134 4.197 4.320 0.018 0.000 0.273 76 K C -0.806 175.763 176.600 -0.051 0.000 0.944 76 K CA 0.062 56.296 56.287 -0.089 0.000 0.734 76 K CB -1.835 30.628 32.500 -0.060 0.000 1.437 76 K HN 0.094 nan 8.250 nan 0.000 0.454 77 V N 0.716 120.584 119.914 -0.076 0.000 2.644 77 V HA 0.171 4.302 4.120 0.018 0.000 0.295 77 V C 1.541 177.632 176.094 -0.005 0.000 1.053 77 V CA -0.295 61.988 62.300 -0.027 0.000 0.987 77 V CB 1.797 33.553 31.823 -0.110 0.000 1.006 77 V HN 0.370 nan 8.190 nan 0.000 0.472 78 K N 1.633 122.061 120.400 0.047 0.000 2.240 78 K HA 0.184 4.515 4.320 0.018 0.000 0.202 78 K C 0.540 177.193 176.600 0.089 0.000 1.053 78 K CA 0.181 56.504 56.287 0.058 0.000 0.973 78 K CB 0.153 32.697 32.500 0.073 0.000 0.924 78 K HN 0.495 nan 8.250 nan 0.000 0.477 79 N N 2.575 121.357 118.700 0.138 0.000 3.178 79 N HA 0.009 4.760 4.740 0.018 0.000 0.300 79 N C 0.837 176.501 175.510 0.256 0.000 1.242 79 N CA 0.123 53.286 53.050 0.187 0.000 1.192 79 N CB 0.784 39.400 38.487 0.215 0.000 1.463 79 N HN -0.060 nan 8.380 nan 0.000 0.539 80 V N 0.591 120.599 119.914 0.156 0.000 2.407 80 V HA -0.208 3.923 4.120 0.018 0.000 0.248 80 V C 2.292 178.509 176.094 0.205 0.000 1.055 80 V CA 1.782 64.162 62.300 0.134 0.000 1.049 80 V CB -0.532 31.309 31.823 0.031 0.000 0.662 80 V HN 0.496 nan 8.190 nan 0.000 0.455 81 A N -1.526 121.376 122.820 0.137 0.000 2.248 81 A HA -0.161 4.170 4.320 0.018 0.000 0.210 81 A C 2.082 179.751 177.584 0.142 0.000 1.174 81 A CA 1.468 53.552 52.037 0.079 0.000 0.750 81 A CB -0.892 18.114 19.000 0.009 0.000 0.780 81 A HN 0.624 nan 8.150 nan 0.000 0.478 82 C N -1.987 117.441 119.300 0.214 0.000 2.590 82 C HA 0.231 4.702 4.460 0.018 0.000 0.272 82 C C 0.492 175.486 174.990 0.007 0.000 1.338 82 C CA -0.576 58.508 59.018 0.110 0.000 1.746 82 C CB -1.316 26.387 27.740 -0.062 0.000 2.020 82 C HN 0.581 nan 8.230 nan 0.000 0.531 83 Y N 1.156 121.495 120.300 0.064 0.000 2.299 83 Y HA 0.547 5.106 4.550 0.016 0.000 0.326 83 Y C 0.842 176.852 175.900 0.183 0.000 1.164 83 Y CA 0.310 58.427 58.100 0.029 0.000 1.234 83 Y CB 0.383 38.812 38.460 -0.051 0.000 1.219 83 Y HN 0.188 nan 8.280 nan 0.000 0.497 84 G N 1.418 110.415 108.800 0.329 0.000 2.733 84 G HA2 0.587 4.558 3.960 0.018 0.000 0.288 84 G HA3 0.587 4.558 3.960 0.018 0.000 0.288 84 G C -2.359 172.815 174.900 0.457 0.000 1.373 84 G CA -0.862 44.487 45.100 0.416 0.000 0.895 84 G HN 0.464 nan 8.290 nan 0.000 0.479 85 L N 0.330 121.807 121.223 0.423 0.000 2.333 85 L HA 0.735 5.086 4.340 0.018 0.000 0.280 85 L C 0.136 177.079 176.870 0.122 0.000 1.004 85 L CA -0.774 54.233 54.840 0.278 0.000 0.820 85 L CB 1.588 43.789 42.059 0.237 0.000 1.247 85 L HN 0.561 nan 8.230 nan 0.000 0.416 86 R N 4.325 124.710 120.500 -0.191 0.000 2.494 86 R HA 0.648 4.999 4.340 0.018 0.000 0.305 86 R C -1.757 174.298 176.300 -0.410 0.000 0.959 86 R CA -0.864 54.846 56.100 -0.651 0.000 0.864 86 R CB 1.525 31.000 30.300 -1.374 0.000 1.159 86 R HN 0.621 nan 8.270 nan 0.000 0.446 87 L N 3.936 124.886 121.223 -0.454 0.000 2.298 87 L HA 0.467 4.818 4.340 0.018 0.000 0.284 87 L C -1.023 175.699 176.870 -0.246 0.000 1.013 87 L CA 0.074 54.620 54.840 -0.489 0.000 0.824 87 L CB 1.608 43.172 42.059 -0.826 0.000 1.221 87 L HN 0.734 nan 8.230 nan 0.000 0.418 88 S N 2.798 118.440 115.700 -0.096 0.000 2.568 88 S HA 0.471 4.952 4.470 0.018 0.000 0.302 88 S C -0.495 174.210 174.600 0.174 0.000 1.082 88 S CA -0.709 57.507 58.200 0.027 0.000 1.009 88 S CB 0.963 64.107 63.200 -0.094 0.000 1.069 88 S HN 0.808 nan 8.310 nan 0.000 0.500 89 H N 1.910 120.943 119.070 -0.062 0.000 2.690 89 H HA 0.304 4.871 4.556 0.018 0.000 0.314 89 H C 0.638 175.773 175.328 -0.322 0.000 1.069 89 H CA -0.632 55.164 56.048 -0.420 0.000 1.436 89 H CB 0.623 30.077 29.762 -0.513 0.000 1.462 89 H HN 0.657 nan 8.280 nan 0.000 0.511 90 L N 3.470 124.420 121.223 -0.455 0.000 2.456 90 L HA -0.164 4.187 4.340 0.018 0.000 0.224 90 L C 1.923 178.478 176.870 -0.525 0.000 1.148 90 L CA 0.440 55.033 54.840 -0.411 0.000 0.825 90 L CB -0.141 41.733 42.059 -0.309 0.000 0.937 90 L HN 0.710 nan 8.230 nan 0.000 0.450 91 Q N -0.264 118.974 119.800 -0.936 0.000 2.225 91 Q HA 0.084 4.435 4.340 0.018 0.000 0.193 91 Q C 1.474 177.210 176.000 -0.439 0.000 0.990 91 Q CA 0.903 56.284 55.803 -0.702 0.000 0.841 91 Q CB -0.466 27.754 28.738 -0.864 0.000 0.941 91 Q HN 0.479 nan 8.270 nan 0.000 0.516 92 S N 1.110 116.578 115.700 -0.387 0.000 2.625 92 S HA 0.135 4.616 4.470 0.018 0.000 0.262 92 S C 0.875 175.425 174.600 -0.082 0.000 1.223 92 S CA -0.500 57.633 58.200 -0.112 0.000 0.993 92 S CB 0.646 63.878 63.200 0.053 0.000 1.051 92 S HN 0.117 nan 8.310 nan 0.000 0.562 93 E N 0.082 120.264 120.200 -0.030 0.000 2.479 93 E HA 0.112 4.473 4.350 0.018 0.000 0.193 93 E C 0.139 176.735 176.600 -0.007 0.000 1.049 93 E CA -0.028 56.356 56.400 -0.026 0.000 0.870 93 E CB -0.238 29.453 29.700 -0.015 0.000 0.944 93 E HN 0.750 nan 8.360 nan 0.000 0.492 94 E N 1.436 121.651 120.200 0.026 0.000 2.480 94 E HA 0.090 4.451 4.350 0.018 0.000 0.258 94 E C -0.441 176.145 176.600 -0.023 0.000 0.984 94 E CA -0.073 56.341 56.400 0.023 0.000 0.930 94 E CB 0.493 30.267 29.700 0.125 0.000 0.936 94 E HN -0.135 nan 8.360 nan 0.000 0.466 95 V N 2.132 121.943 119.914 -0.173 0.000 2.888 95 V HA 0.529 4.660 4.120 0.018 0.000 0.309 95 V C -1.394 174.442 176.094 -0.430 0.000 1.114 95 V CA -0.987 61.183 62.300 -0.216 0.000 0.940 95 V CB 1.809 33.539 31.823 -0.155 0.000 1.021 95 V HN 0.719 nan 8.190 nan 0.000 0.426 96 H N 1.995 120.958 119.070 -0.178 0.000 2.823 96 H HA 0.536 5.103 4.556 0.018 0.000 0.332 96 H C -1.553 173.683 175.328 -0.152 0.000 0.980 96 H CA -0.124 55.854 56.048 -0.116 0.000 1.286 96 H CB 1.331 30.902 29.762 -0.319 0.000 1.541 96 H HN 0.814 nan 8.280 nan 0.000 0.521 97 W N 4.401 125.792 121.300 0.151 0.000 2.311 97 W HA 0.333 5.003 4.660 0.017 0.000 0.310 97 W C -0.370 176.258 176.519 0.181 0.000 1.274 97 W CA -0.539 56.892 57.345 0.143 0.000 1.215 97 W CB 0.685 30.240 29.460 0.159 0.000 1.227 97 W HN 0.358 nan 8.180 nan 0.000 0.523 98 L N 4.812 126.245 121.223 0.351 0.000 2.276 98 L HA 0.216 4.567 4.340 0.018 0.000 0.286 98 L C 0.781 177.850 176.870 0.331 0.000 1.061 98 L CA -0.912 54.111 54.840 0.306 0.000 0.807 98 L CB 0.375 42.561 42.059 0.212 0.000 1.177 98 L HN 0.380 nan 8.230 nan 0.000 0.429 99 H N 4.098 123.313 119.070 0.242 0.000 2.764 99 H HA 0.036 4.604 4.556 0.019 0.000 0.341 99 H C 0.667 176.093 175.328 0.162 0.000 1.072 99 H CA -0.620 55.549 56.048 0.202 0.000 1.444 99 H CB 1.724 31.591 29.762 0.175 0.000 1.458 99 H HN 0.607 nan 8.280 nan 0.000 0.572 100 L N 2.720 123.775 121.223 -0.281 0.000 2.349 100 L HA -0.074 4.277 4.340 0.018 0.000 0.220 100 L C 1.173 178.059 176.870 0.026 0.000 1.130 100 L CA 1.131 55.917 54.840 -0.091 0.000 0.791 100 L CB -0.626 41.358 42.059 -0.124 0.000 0.918 100 L HN 0.455 nan 8.230 nan 0.000 0.444 101 D N -0.330 120.168 120.400 0.164 0.000 2.347 101 D HA 0.099 4.750 4.640 0.018 0.000 0.213 101 D C 1.053 177.456 176.300 0.171 0.000 0.985 101 D CA 0.448 54.572 54.000 0.207 0.000 0.879 101 D CB 0.002 40.976 40.800 0.290 0.000 0.919 101 D HN 0.402 nan 8.370 nan 0.000 0.526 102 M N 0.625 120.341 119.600 0.192 0.000 2.238 102 M HA 0.249 4.739 4.480 0.018 0.000 0.347 102 M C 0.990 177.345 176.300 0.092 0.000 1.173 102 M CA -0.179 55.201 55.300 0.132 0.000 1.147 102 M CB 1.072 33.762 32.600 0.151 0.000 1.547 102 M HN -0.138 nan 8.290 nan 0.000 0.455 103 G N 1.510 110.350 108.800 0.067 0.000 2.406 103 G HA2 0.358 4.328 3.960 0.018 0.000 0.251 103 G HA3 0.358 4.328 3.960 0.018 0.000 0.251 103 G C 0.801 175.728 174.900 0.045 0.000 1.271 103 G CA -0.792 44.340 45.100 0.054 0.000 0.859 103 G HN 0.655 nan 8.290 nan 0.000 0.540 104 V N 2.568 122.485 119.914 0.005 0.000 2.287 104 V HA -0.217 3.914 4.120 0.018 0.000 0.248 104 V C 3.013 179.116 176.094 0.016 0.000 1.053 104 V CA 2.518 64.776 62.300 -0.069 0.000 1.027 104 V CB -0.709 30.881 31.823 -0.389 0.000 0.646 104 V HN 0.696 nan 8.190 nan 0.000 0.447 105 S N 0.052 115.812 115.700 0.100 0.000 2.368 105 S HA -0.209 4.272 4.470 0.018 0.000 0.225 105 S C 1.782 176.422 174.600 0.067 0.000 1.030 105 S CA 1.888 60.167 58.200 0.132 0.000 0.999 105 S CB -0.618 62.662 63.200 0.133 0.000 0.844 105 S HN 0.721 nan 8.310 nan 0.000 0.459 106 N N 0.530 119.256 118.700 0.043 0.000 2.120 106 N HA -0.091 4.660 4.740 0.018 0.000 0.188 106 N C 1.640 177.139 175.510 -0.018 0.000 1.024 106 N CA 1.177 54.230 53.050 0.004 0.000 0.852 106 N CB -0.181 38.307 38.487 0.001 0.000 1.003 106 N HN 0.129 nan 8.380 nan 0.000 0.424 107 V N 1.690 121.624 119.914 0.033 0.000 2.244 107 V HA -0.208 3.923 4.120 0.018 0.000 0.244 107 V C 2.219 178.383 176.094 0.116 0.000 1.042 107 V CA 1.611 63.959 62.300 0.081 0.000 1.006 107 V CB -0.465 31.482 31.823 0.207 0.000 0.641 107 V HN 0.275 nan 8.190 nan 0.000 0.446 108 R N -0.112 120.477 120.500 0.148 0.000 2.096 108 R HA -0.264 4.086 4.340 0.018 0.000 0.240 108 R C 2.337 178.681 176.300 0.073 0.000 1.139 108 R CA 2.076 58.270 56.100 0.157 0.000 0.952 108 R CB -0.450 29.932 30.300 0.136 0.000 0.854 108 R HN 0.658 nan 8.270 nan 0.000 0.436 109 E N 1.274 121.493 120.200 0.032 0.000 2.051 109 E HA -0.237 4.124 4.350 0.018 0.000 0.192 109 E C 2.070 178.631 176.600 -0.065 0.000 0.991 109 E CA 1.407 57.808 56.400 0.001 0.000 0.799 109 E CB 0.063 29.760 29.700 -0.006 0.000 0.748 109 E HN 0.197 nan 8.360 nan 0.000 0.449 110 K N -0.386 119.914 120.400 -0.166 0.000 2.009 110 K HA -0.173 4.158 4.320 0.018 0.000 0.210 110 K C 1.826 178.180 176.600 -0.410 0.000 1.049 110 K CA 1.701 57.783 56.287 -0.340 0.000 0.929 110 K CB -0.244 31.929 32.500 -0.546 0.000 0.714 110 K HN 0.130 nan 8.250 nan 0.000 0.440 111 F N 1.327 121.130 119.950 -0.244 0.000 2.407 111 F HA 0.009 4.547 4.527 0.018 0.000 0.299 111 F C 2.101 177.841 175.800 -0.100 0.000 1.097 111 F CA 0.776 58.548 58.000 -0.380 0.000 1.422 111 F CB -0.175 38.245 39.000 -0.967 0.000 1.067 111 F HN 0.162 nan 8.300 nan 0.000 0.539 112 E N 0.305 120.568 120.200 0.105 0.000 2.338 112 E HA -0.101 4.260 4.350 0.018 0.000 0.197 112 E C 2.010 178.713 176.600 0.171 0.000 1.007 112 E CA 0.610 57.140 56.400 0.218 0.000 0.849 112 E CB -0.244 29.541 29.700 0.142 0.000 0.774 112 E HN 0.388 nan 8.360 nan 0.000 0.506 113 L N -0.973 120.294 121.223 0.074 0.000 2.270 113 L HA 0.039 4.390 4.340 0.018 0.000 0.210 113 L C 2.227 179.108 176.870 0.019 0.000 1.104 113 L CA 0.804 55.660 54.840 0.026 0.000 0.804 113 L CB -0.204 41.832 42.059 -0.038 0.000 0.937 113 L HN 0.155 nan 8.230 nan 0.000 0.450 114 A N -1.583 121.269 122.820 0.053 0.000 1.903 114 A HA 0.031 4.362 4.320 0.018 0.000 0.213 114 A C 0.651 177.999 177.584 -0.394 0.000 1.185 114 A CA 0.852 52.824 52.037 -0.108 0.000 0.628 114 A CB -0.023 19.002 19.000 0.042 0.000 0.830 114 A HN 0.320 nan 8.150 nan 0.000 0.446 115 H N -2.167 117.105 119.070 0.337 0.000 2.996 115 H HA 0.359 4.926 4.556 0.018 0.000 0.368 115 H C -3.009 172.477 175.328 0.263 0.000 1.185 115 H CA -2.293 53.830 56.048 0.125 0.000 1.160 115 H CB 1.081 30.609 29.762 -0.390 0.000 1.820 115 H HN -0.031 nan 8.280 nan 0.000 0.547 116 P HA -0.005 nan 4.420 nan 0.000 0.267 116 P C -1.817 175.663 177.300 0.301 0.000 1.200 116 P CA -0.821 62.415 63.100 0.228 0.000 0.772 116 P CB 0.453 32.234 31.700 0.136 0.000 0.855 117 P HA -0.240 nan 4.420 nan 0.000 0.216 117 P C 1.275 178.764 177.300 0.315 0.000 1.154 117 P CA 1.550 64.885 63.100 0.393 0.000 0.865 117 P CB -0.307 31.548 31.700 0.258 0.000 0.789 118 E N 0.238 120.547 120.200 0.182 0.000 2.472 118 E HA -0.174 4.187 4.350 0.018 0.000 0.200 118 E C 0.893 177.521 176.600 0.047 0.000 1.046 118 E CA 1.086 57.554 56.400 0.115 0.000 0.871 118 E CB -0.708 29.034 29.700 0.069 0.000 0.806 118 E HN 0.415 nan 8.360 nan 0.000 0.533 119 E N -0.303 119.890 120.200 -0.010 0.000 2.476 119 E HA 0.113 4.474 4.350 0.018 0.000 0.196 119 E C -0.638 175.806 176.600 -0.260 0.000 1.029 119 E CA -0.248 56.039 56.400 -0.189 0.000 0.896 119 E CB 0.169 29.721 29.700 -0.247 0.000 1.012 119 E HN 0.211 nan 8.360 nan 0.000 0.475 120 W N 1.293 122.663 121.300 0.116 0.000 2.627 120 W HA 0.393 5.064 4.660 0.018 0.000 0.339 120 W C 0.050 176.593 176.519 0.040 0.000 1.058 120 W CA -0.925 56.452 57.345 0.053 0.000 1.223 120 W CB 1.403 30.899 29.460 0.060 0.000 1.389 120 W HN -0.338 nan 8.180 nan 0.000 0.541 121 K N 2.839 123.368 120.400 0.215 0.000 2.578 121 K HA 0.299 4.630 4.320 0.018 0.000 0.250 121 K C -1.804 174.826 176.600 0.050 0.000 0.955 121 K CA -0.773 55.582 56.287 0.113 0.000 0.825 121 K CB 0.860 33.279 32.500 -0.136 0.000 1.151 121 K HN 0.447 nan 8.250 nan 0.000 0.432 122 Y N 2.166 122.566 120.300 0.167 0.000 2.365 122 Y HA 0.224 4.785 4.550 0.018 0.000 0.340 122 Y C 0.189 176.204 175.900 0.191 0.000 1.016 122 Y CA -0.282 57.896 58.100 0.130 0.000 1.196 122 Y CB 1.132 39.670 38.460 0.130 0.000 1.167 122 Y HN 0.502 nan 8.280 nan 0.000 0.509 123 E N 3.471 123.787 120.200 0.195 0.000 2.224 123 E HA 0.362 4.723 4.350 0.018 0.000 0.265 123 E C -1.678 175.077 176.600 0.257 0.000 0.878 123 E CA -1.150 55.384 56.400 0.222 0.000 0.759 123 E CB 1.472 31.227 29.700 0.092 0.000 1.164 123 E HN 0.571 nan 8.360 nan 0.000 0.414 124 L N 4.581 126.044 121.223 0.399 0.000 2.349 124 L HA 0.436 4.787 4.340 0.018 0.000 0.275 124 L C -0.765 176.489 176.870 0.640 0.000 1.115 124 L CA 0.426 55.552 54.840 0.477 0.000 0.820 124 L CB 0.466 42.845 42.059 0.534 0.000 1.135 124 L HN 0.577 nan 8.230 nan 0.000 0.445 125 R N 4.311 125.135 120.500 0.541 0.000 2.764 125 R HA 0.551 4.902 4.340 0.018 0.000 0.270 125 R C -1.340 175.103 176.300 0.239 0.000 1.014 125 R CA -0.987 55.445 56.100 0.554 0.000 0.904 125 R CB 1.498 32.104 30.300 0.510 0.000 1.236 125 R HN 0.535 nan 8.270 nan 0.000 0.466 126 I N 1.488 122.127 120.570 0.114 0.000 2.342 126 I HA 0.275 4.456 4.170 0.018 0.000 0.291 126 I C 1.224 177.226 176.117 -0.191 0.000 1.010 126 I CA 0.161 61.301 61.300 -0.268 0.000 1.308 126 I CB 1.211 39.026 38.000 -0.308 0.000 1.400 126 I HN 0.586 nan 8.210 nan 0.000 0.488 127 R N 4.465 124.648 120.500 -0.529 0.000 2.573 127 R HA 0.157 4.507 4.340 0.018 0.000 0.224 127 R C -0.527 175.218 176.300 -0.925 0.000 0.904 127 R CA -0.040 55.592 56.100 -0.779 0.000 0.995 127 R CB 0.608 30.138 30.300 -1.283 0.000 1.430 127 R HN 0.531 nan 8.270 nan 0.000 0.631 128 Y N 2.036 122.046 120.300 -0.484 0.000 2.595 128 Y HA 0.381 4.941 4.550 0.016 0.000 0.336 128 Y C -0.388 175.254 175.900 -0.430 0.000 0.996 128 Y CA -0.671 56.941 58.100 -0.814 0.000 1.260 128 Y CB 0.735 38.693 38.460 -0.838 0.000 1.108 128 Y HN -0.155 nan 8.280 nan 0.000 0.509 129 L N 6.130 127.264 121.223 -0.148 0.000 2.290 129 L HA 0.409 4.760 4.340 0.018 0.000 0.284 129 L C -2.274 174.672 176.870 0.126 0.000 1.078 129 L CA -2.020 52.736 54.840 -0.140 0.000 0.815 129 L CB 0.879 42.604 42.059 -0.556 0.000 1.162 129 L HN 0.290 nan 8.230 nan 0.000 0.435 130 P HA 0.084 nan 4.420 nan 0.000 0.274 130 P C -0.689 176.703 177.300 0.154 0.000 1.256 130 P CA -0.634 62.538 63.100 0.120 0.000 0.795 130 P CB 0.483 32.215 31.700 0.054 0.000 1.038 131 K N 1.154 121.623 120.400 0.114 0.000 2.484 131 K HA 0.137 4.468 4.320 0.018 0.000 0.280 131 K C 1.004 177.592 176.600 -0.020 0.000 1.013 131 K CA 0.989 57.319 56.287 0.072 0.000 1.029 131 K CB -0.768 31.757 32.500 0.041 0.000 0.902 131 K HN 0.838 nan 8.250 nan 0.000 0.481 132 G N 4.851 113.587 108.800 -0.107 0.000 2.371 132 G HA2 -0.277 3.694 3.960 0.018 0.000 0.299 132 G HA3 -0.277 3.694 3.960 0.018 0.000 0.299 132 G C 0.676 175.317 174.900 -0.432 0.000 1.014 132 G CA 0.684 45.591 45.100 -0.320 0.000 1.097 132 G HN 0.702 nan 8.290 nan 0.000 0.512 133 F N -1.510 118.220 119.950 -0.367 0.000 2.161 133 F HA -0.015 4.521 4.527 0.016 0.000 0.300 133 F C 2.412 177.724 175.800 -0.813 0.000 1.089 133 F CA 1.280 58.784 58.000 -0.826 0.000 1.282 133 F CB -0.746 37.597 39.000 -1.095 0.000 1.010 133 F HN 0.282 nan 8.300 nan 0.000 0.485 134 L N 0.748 121.450 121.223 -0.867 0.000 1.990 134 L HA -0.275 4.076 4.340 0.018 0.000 0.213 134 L C 2.660 179.431 176.870 -0.165 0.000 1.072 134 L CA 1.770 56.387 54.840 -0.372 0.000 0.755 134 L CB -0.963 40.871 42.059 -0.374 0.000 0.889 134 L HN 0.247 nan 8.230 nan 0.000 0.432 135 N N -0.486 118.093 118.700 -0.201 0.000 2.043 135 N HA -0.206 4.545 4.740 0.018 0.000 0.193 135 N C 1.869 177.370 175.510 -0.015 0.000 1.037 135 N CA 1.278 54.281 53.050 -0.079 0.000 0.851 135 N CB -0.358 38.075 38.487 -0.090 0.000 1.027 135 N HN 0.398 nan 8.380 nan 0.000 0.422 136 Q N 0.343 120.109 119.800 -0.057 0.000 2.062 136 Q HA -0.125 4.226 4.340 0.018 0.000 0.209 136 Q C 2.148 178.288 176.000 0.233 0.000 0.996 136 Q CA 1.242 57.074 55.803 0.048 0.000 0.859 136 Q CB -0.518 28.217 28.738 -0.004 0.000 0.920 136 Q HN 0.518 nan 8.270 nan 0.000 0.415 137 F N 0.439 120.419 119.950 0.051 0.000 2.307 137 F HA -0.197 4.338 4.527 0.013 0.000 0.301 137 F C 2.470 178.325 175.800 0.092 0.000 1.076 137 F CA 0.552 58.600 58.000 0.081 0.000 1.383 137 F CB -0.105 38.953 39.000 0.096 0.000 1.055 137 F HN 0.152 nan 8.300 nan 0.000 0.526 138 T N -0.304 114.403 114.554 0.254 0.000 2.759 138 T HA -0.217 4.144 4.350 0.018 0.000 0.269 138 T C 1.272 176.057 174.700 0.142 0.000 1.042 138 T CA 1.296 63.497 62.100 0.169 0.000 1.140 138 T CB -0.318 68.615 68.868 0.108 0.000 0.864 138 T HN 0.364 nan 8.240 nan 0.000 0.455 139 E N 0.675 120.958 120.200 0.138 0.000 2.494 139 E HA 0.023 4.384 4.350 0.018 0.000 0.193 139 E C -0.039 176.633 176.600 0.119 0.000 1.074 139 E CA 0.079 56.546 56.400 0.111 0.000 0.867 139 E CB 0.213 29.970 29.700 0.095 0.000 0.924 139 E HN 0.202 nan 8.360 nan 0.000 0.502 140 D N 0.374 120.863 120.400 0.147 0.000 2.517 140 D HA 0.073 4.724 4.640 0.018 0.000 0.263 140 D C 0.747 177.126 176.300 0.131 0.000 1.233 140 D CA -0.253 53.825 54.000 0.129 0.000 0.849 140 D CB 0.198 41.080 40.800 0.136 0.000 1.261 140 D HN -0.284 nan 8.370 nan 0.000 0.516 141 K N 1.081 121.555 120.400 0.123 0.000 2.077 141 K HA -0.152 4.179 4.320 0.018 0.000 0.213 141 K C -0.967 175.731 176.600 0.164 0.000 1.051 141 K CA 1.599 57.965 56.287 0.131 0.000 0.929 141 K CB -1.121 31.441 32.500 0.104 0.000 0.715 141 K HN 0.384 nan 8.250 nan 0.000 0.451 142 P HA -0.111 nan 4.420 nan 0.000 0.214 142 P C 1.364 178.869 177.300 0.341 0.000 1.163 142 P CA 1.705 64.969 63.100 0.274 0.000 0.889 142 P CB -0.130 31.708 31.700 0.230 0.000 0.790 143 T N -0.291 114.391 114.554 0.214 0.000 2.788 143 T HA -0.136 4.225 4.350 0.018 0.000 0.268 143 T C 1.699 176.386 174.700 -0.022 0.000 1.044 143 T CA 0.940 63.062 62.100 0.037 0.000 1.139 143 T CB -0.897 67.808 68.868 -0.271 0.000 0.867 143 T HN -0.007 nan 8.240 nan 0.000 0.454 144 L N 1.607 122.889 121.223 0.099 0.000 2.046 144 L HA -0.034 4.317 4.340 0.018 0.000 0.208 144 L C 1.867 178.957 176.870 0.366 0.000 1.077 144 L CA 1.805 56.810 54.840 0.275 0.000 0.747 144 L CB -0.700 41.523 42.059 0.273 0.000 0.896 144 L HN 0.112 nan 8.230 nan 0.000 0.432 145 N N -1.358 117.523 118.700 0.302 0.000 2.188 145 N HA -0.183 4.568 4.740 0.018 0.000 0.184 145 N C 1.634 177.351 175.510 0.345 0.000 1.018 145 N CA 1.545 54.783 53.050 0.313 0.000 0.858 145 N CB -0.365 38.261 38.487 0.232 0.000 0.989 145 N HN 0.418 nan 8.380 nan 0.000 0.426 146 F N 0.321 120.369 119.950 0.164 0.000 2.075 146 F HA -0.150 4.388 4.527 0.019 0.000 0.297 146 F C 2.020 177.892 175.800 0.121 0.000 1.113 146 F CA 1.315 59.353 58.000 0.063 0.000 1.218 146 F CB -0.395 38.534 39.000 -0.118 0.000 0.984 146 F HN 0.034 nan 8.300 nan 0.000 0.472 147 F N -0.724 119.414 119.950 0.313 0.000 2.126 147 F HA -0.319 4.219 4.527 0.019 0.000 0.299 147 F C 2.407 178.375 175.800 0.280 0.000 1.096 147 F CA 1.647 59.796 58.000 0.247 0.000 1.255 147 F CB -0.628 38.524 39.000 0.254 0.000 0.997 147 F HN 0.177 nan 8.300 nan 0.000 0.479 148 Y N 1.390 121.835 120.300 0.241 0.000 2.097 148 Y HA -0.307 4.254 4.550 0.019 0.000 0.282 148 Y C 2.476 178.232 175.900 -0.239 0.000 1.152 148 Y CA 2.044 60.169 58.100 0.042 0.000 1.136 148 Y CB -0.847 37.641 38.460 0.048 0.000 0.975 148 Y HN 0.115 nan 8.280 nan 0.000 0.498 149 Q N 0.325 119.931 119.800 -0.322 0.000 2.124 149 Q HA -0.253 4.098 4.340 0.018 0.000 0.202 149 Q C 2.310 177.973 176.000 -0.560 0.000 0.977 149 Q CA 1.912 57.486 55.803 -0.382 0.000 0.850 149 Q CB -0.539 28.258 28.738 0.098 0.000 0.901 149 Q HN 0.717 nan 8.270 nan 0.000 0.429 150 Q N 0.314 119.657 119.800 -0.762 0.000 2.020 150 Q HA -0.126 4.225 4.340 0.018 0.000 0.202 150 Q C 2.105 177.745 176.000 -0.599 0.000 0.982 150 Q CA 1.634 56.786 55.803 -1.085 0.000 0.838 150 Q CB 0.195 28.506 28.738 -0.711 0.000 0.899 150 Q HN 0.200 nan 8.270 nan 0.000 0.423 151 V N 1.146 120.754 119.914 -0.509 0.000 2.427 151 V HA -0.235 3.896 4.120 0.018 0.000 0.248 151 V C 2.360 178.265 176.094 -0.315 0.000 1.051 151 V CA 2.058 64.147 62.300 -0.352 0.000 1.048 151 V CB -0.622 30.922 31.823 -0.464 0.000 0.666 151 V HN 0.370 nan 8.190 nan 0.000 0.456 152 K N 0.728 120.841 120.400 -0.478 0.000 2.063 152 K HA -0.264 4.067 4.320 0.018 0.000 0.208 152 K C 2.053 178.517 176.600 -0.228 0.000 1.048 152 K CA 2.083 58.144 56.287 -0.376 0.000 0.928 152 K CB -0.238 31.741 32.500 -0.869 0.000 0.713 152 K HN 0.476 nan 8.250 nan 0.000 0.442 153 N N 0.802 119.321 118.700 -0.302 0.000 2.188 153 N HA -0.144 4.607 4.740 0.018 0.000 0.184 153 N C 1.093 176.494 175.510 -0.182 0.000 1.018 153 N CA 1.816 54.734 53.050 -0.220 0.000 0.858 153 N CB -0.080 38.330 38.487 -0.130 0.000 0.989 153 N HN 0.195 nan 8.380 nan 0.000 0.426 154 D N -0.934 119.369 120.400 -0.161 0.000 2.097 154 D HA -0.165 4.486 4.640 0.018 0.000 0.197 154 D C 1.600 177.797 176.300 -0.172 0.000 0.984 154 D CA 0.867 54.823 54.000 -0.075 0.000 0.826 154 D CB -0.627 40.223 40.800 0.084 0.000 0.973 154 D HN 0.419 nan 8.370 nan 0.000 0.460 155 Y N 1.212 121.239 120.300 -0.456 0.000 2.097 155 Y HA -0.242 4.319 4.550 0.018 0.000 0.282 155 Y C 2.072 177.783 175.900 -0.315 0.000 1.152 155 Y CA 1.568 59.304 58.100 -0.607 0.000 1.136 155 Y CB -0.410 37.721 38.460 -0.549 0.000 0.975 155 Y HN -0.164 nan 8.280 nan 0.000 0.498 156 M N 0.068 119.296 119.600 -0.619 0.000 2.149 156 M HA -0.190 4.301 4.480 0.018 0.000 0.261 156 M C 2.105 178.164 176.300 -0.401 0.000 1.064 156 M CA 1.558 56.488 55.300 -0.616 0.000 1.102 156 M CB -1.082 31.301 32.600 -0.363 0.000 1.369 156 M HN 0.436 nan 8.290 nan 0.000 0.408 157 L N -1.456 119.600 121.223 -0.278 0.000 2.509 157 L HA -0.069 4.282 4.340 0.018 0.000 0.222 157 L C 1.730 178.514 176.870 -0.143 0.000 1.123 157 L CA 0.433 55.160 54.840 -0.187 0.000 0.856 157 L CB -0.175 41.800 42.059 -0.140 0.000 0.985 157 L HN 0.346 nan 8.230 nan 0.000 0.456 158 E N 0.132 120.242 120.200 -0.150 0.000 2.357 158 E HA 0.082 4.443 4.350 0.018 0.000 0.202 158 E C 1.794 178.367 176.600 -0.045 0.000 0.855 158 E CA 0.494 56.863 56.400 -0.051 0.000 1.048 158 E CB 0.517 30.267 29.700 0.082 0.000 1.037 158 E HN 0.473 nan 8.360 nan 0.000 0.499 159 I N -2.779 117.730 120.570 -0.103 0.000 4.471 159 I HA 0.430 4.611 4.170 0.018 0.000 0.326 159 I C 2.267 178.319 176.117 -0.109 0.000 1.300 159 I CA 0.138 61.420 61.300 -0.031 0.000 1.237 159 I CB 0.290 38.364 38.000 0.123 0.000 1.195 159 I HN -0.090 nan 8.210 nan 0.000 0.427 160 A N 2.205 124.779 122.820 -0.411 0.000 1.896 160 A HA -0.302 4.029 4.320 0.018 0.000 0.220 160 A C 1.906 179.403 177.584 -0.146 0.000 1.206 160 A CA 2.668 54.425 52.037 -0.466 0.000 0.647 160 A CB -1.067 17.387 19.000 -0.910 0.000 0.828 160 A HN 0.564 nan 8.150 nan 0.000 0.455 161 D N -0.883 119.433 120.400 -0.141 0.000 2.392 161 D HA -0.062 4.589 4.640 0.018 0.000 0.228 161 D C 1.302 177.588 176.300 -0.023 0.000 1.003 161 D CA 1.500 55.462 54.000 -0.063 0.000 0.917 161 D CB 0.028 40.786 40.800 -0.070 0.000 0.890 161 D HN 0.882 nan 8.370 nan 0.000 0.532 162 Q N -1.053 118.740 119.800 -0.011 0.000 2.093 162 Q HA 0.194 4.545 4.340 0.018 0.000 0.217 162 Q C -0.025 175.998 176.000 0.039 0.000 0.785 162 Q CA -0.235 55.576 55.803 0.014 0.000 1.038 162 Q CB 0.237 28.980 28.738 0.009 0.000 1.190 162 Q HN -0.062 nan 8.270 nan 0.000 0.468 163 V N 1.293 121.243 119.914 0.060 0.000 2.904 163 V HA 0.273 4.404 4.120 0.018 0.000 0.305 163 V C -0.711 175.431 176.094 0.080 0.000 1.067 163 V CA -0.593 61.760 62.300 0.089 0.000 1.044 163 V CB 1.148 33.061 31.823 0.150 0.000 1.050 163 V HN 0.423 nan 8.190 nan 0.000 0.475 164 D N 3.895 124.339 120.400 0.073 0.000 2.502 164 D HA 0.003 4.654 4.640 0.018 0.000 0.249 164 D C 1.058 177.407 176.300 0.081 0.000 1.188 164 D CA 0.635 54.674 54.000 0.065 0.000 0.890 164 D CB 0.442 41.276 40.800 0.056 0.000 1.140 164 D HN 0.575 nan 8.370 nan 0.000 0.505 165 Q N 1.973 121.818 119.800 0.075 0.000 2.268 165 Q HA -0.252 4.099 4.340 0.018 0.000 0.210 165 Q C 1.238 177.301 176.000 0.107 0.000 0.988 165 Q CA 1.210 57.067 55.803 0.090 0.000 0.883 165 Q CB 0.014 28.790 28.738 0.063 0.000 0.911 165 Q HN 0.639 nan 8.270 nan 0.000 0.430 166 E N 0.453 120.706 120.200 0.089 0.000 2.072 166 E HA -0.159 4.201 4.350 0.018 0.000 0.191 166 E C 1.994 178.666 176.600 0.119 0.000 0.985 166 E CA 0.902 57.360 56.400 0.097 0.000 0.801 166 E CB -0.111 29.634 29.700 0.074 0.000 0.750 166 E HN 0.403 nan 8.360 nan 0.000 0.452 167 I N 1.341 121.970 120.570 0.098 0.000 2.252 167 I HA -0.211 3.970 4.170 0.018 0.000 0.245 167 I C 2.613 178.795 176.117 0.108 0.000 1.102 167 I CA 0.786 62.131 61.300 0.075 0.000 1.385 167 I CB -0.320 37.702 38.000 0.036 0.000 1.064 167 I HN 0.057 nan 8.210 nan 0.000 0.414 168 A N 0.820 123.743 122.820 0.171 0.000 1.940 168 A HA -0.189 4.142 4.320 0.018 0.000 0.219 168 A C 2.332 180.124 177.584 0.347 0.000 1.176 168 A CA 1.441 53.640 52.037 0.270 0.000 0.631 168 A CB -0.767 18.390 19.000 0.261 0.000 0.814 168 A HN 0.378 nan 8.150 nan 0.000 0.446 169 L N -0.737 120.678 121.223 0.320 0.000 2.005 169 L HA -0.206 4.145 4.340 0.018 0.000 0.207 169 L C 2.654 179.770 176.870 0.410 0.000 1.072 169 L CA 1.871 56.965 54.840 0.423 0.000 0.744 169 L CB -0.322 41.893 42.059 0.260 0.000 0.895 169 L HN 0.361 nan 8.230 nan 0.000 0.433 170 K N -0.226 120.346 120.400 0.286 0.000 2.063 170 K HA -0.193 4.138 4.320 0.018 0.000 0.208 170 K C 2.025 178.689 176.600 0.106 0.000 1.048 170 K CA 1.296 57.745 56.287 0.269 0.000 0.928 170 K CB -0.283 32.361 32.500 0.240 0.000 0.713 170 K HN 0.257 nan 8.250 nan 0.000 0.442 171 L N 0.121 121.385 121.223 0.067 0.000 2.046 171 L HA -0.136 4.215 4.340 0.018 0.000 0.208 171 L C 2.608 179.555 176.870 0.128 0.000 1.077 171 L CA 1.452 56.337 54.840 0.075 0.000 0.747 171 L CB -0.943 41.072 42.059 -0.073 0.000 0.896 171 L HN 0.373 nan 8.230 nan 0.000 0.432 172 G N -0.915 107.914 108.800 0.048 0.000 2.422 172 G HA2 -0.223 3.748 3.960 0.018 0.000 0.218 172 G HA3 -0.223 3.748 3.960 0.018 0.000 0.218 172 G C 1.583 176.364 174.900 -0.199 0.000 1.146 172 G CA 0.907 45.793 45.100 -0.356 0.000 0.769 172 G HN 0.402 nan 8.290 nan 0.000 0.547 173 C N 0.055 119.434 119.300 0.130 0.000 2.457 173 C HA 0.186 4.657 4.460 0.018 0.000 0.278 173 C C 2.860 177.984 174.990 0.224 0.000 1.309 173 C CA 0.158 59.341 59.018 0.275 0.000 1.735 173 C CB -0.964 27.096 27.740 0.534 0.000 1.992 173 C HN 0.422 nan 8.230 nan 0.000 0.493 174 L N 0.914 122.168 121.223 0.052 0.000 2.083 174 L HA -0.149 4.202 4.340 0.018 0.000 0.209 174 L C 2.722 179.587 176.870 -0.010 0.000 1.083 174 L CA 1.626 56.424 54.840 -0.070 0.000 0.752 174 L CB -0.548 41.395 42.059 -0.193 0.000 0.899 174 L HN 0.291 nan 8.230 nan 0.000 0.433 175 E N 0.771 120.982 120.200 0.018 0.000 2.150 175 E HA -0.172 4.189 4.350 0.018 0.000 0.193 175 E C 2.003 178.639 176.600 0.060 0.000 0.985 175 E CA 1.287 57.718 56.400 0.051 0.000 0.814 175 E CB -0.163 29.603 29.700 0.109 0.000 0.752 175 E HN 0.454 nan 8.360 nan 0.000 0.466 176 I N -0.044 120.497 120.570 -0.049 0.000 2.286 176 I HA -0.183 3.998 4.170 0.018 0.000 0.245 176 I C 2.481 178.592 176.117 -0.010 0.000 1.104 176 I CA 0.921 62.074 61.300 -0.245 0.000 1.397 176 I CB -0.240 37.477 38.000 -0.472 0.000 1.072 176 I HN 0.077 nan 8.210 nan 0.000 0.417 177 R N 1.565 122.192 120.500 0.211 0.000 2.073 177 R HA -0.166 4.184 4.340 0.018 0.000 0.234 177 R C 2.369 178.742 176.300 0.121 0.000 1.134 177 R CA 1.665 57.971 56.100 0.344 0.000 0.952 177 R CB -0.630 29.890 30.300 0.366 0.000 0.850 177 R HN 0.184 nan 8.270 nan 0.000 0.433 178 R N -0.293 120.210 120.500 0.006 0.000 2.096 178 R HA -0.043 4.308 4.340 0.018 0.000 0.235 178 R C 1.841 178.085 176.300 -0.094 0.000 1.127 178 R CA 1.814 57.875 56.100 -0.065 0.000 0.968 178 R CB -0.228 29.971 30.300 -0.169 0.000 0.861 178 R HN 0.254 nan 8.270 nan 0.000 0.440 179 S N -0.455 115.127 115.700 -0.197 0.000 2.423 179 S HA -0.095 4.386 4.470 0.018 0.000 0.231 179 S C -0.316 173.955 174.600 -0.548 0.000 1.014 179 S CA 0.885 58.827 58.200 -0.431 0.000 0.965 179 S CB -0.006 62.786 63.200 -0.680 0.000 0.785 179 S HN 0.322 nan 8.310 nan 0.000 0.495 180 Y N 0.341 120.690 120.300 0.081 0.000 2.787 180 Y HA 0.522 5.083 4.550 0.019 0.000 0.352 180 Y C 1.102 177.058 175.900 0.093 0.000 1.027 180 Y CA -1.377 56.768 58.100 0.075 0.000 1.219 180 Y CB 0.182 38.675 38.460 0.055 0.000 1.110 180 Y HN 0.028 nan 8.280 nan 0.000 0.614 181 G N 1.190 110.095 108.800 0.174 0.000 2.396 181 G HA2 -0.205 3.766 3.960 0.018 0.000 0.214 181 G HA3 -0.205 3.766 3.960 0.018 0.000 0.214 181 G C 1.232 176.210 174.900 0.132 0.000 1.166 181 G CA 0.771 45.951 45.100 0.132 0.000 0.793 181 G HN 0.609 nan 8.290 nan 0.000 0.533 182 E N 0.145 120.423 120.200 0.130 0.000 2.427 182 E HA 0.076 4.436 4.350 0.018 0.000 0.196 182 E C 2.092 178.755 176.600 0.106 0.000 1.028 182 E CA 0.270 56.732 56.400 0.102 0.000 0.864 182 E CB -0.369 29.383 29.700 0.086 0.000 0.813 182 E HN 0.400 nan 8.360 nan 0.000 0.514 183 M N 1.123 120.809 119.600 0.142 0.000 2.446 183 M HA -0.031 4.460 4.480 0.018 0.000 0.263 183 M C 0.286 176.663 176.300 0.130 0.000 1.066 183 M CA 0.712 56.084 55.300 0.119 0.000 1.087 183 M CB -0.136 32.547 32.600 0.138 0.000 1.406 183 M HN 0.138 nan 8.290 nan 0.000 0.459 184 R N 1.426 122.009 120.500 0.138 0.000 2.837 184 R HA -0.131 4.220 4.340 0.018 0.000 0.264 184 R C 0.051 176.429 176.300 0.129 0.000 0.906 184 R CA 0.291 56.458 56.100 0.113 0.000 0.711 184 R CB -1.998 28.347 30.300 0.075 0.000 1.701 184 R HN 0.720 nan 8.270 nan 0.000 0.514 185 G N 2.448 111.348 108.800 0.168 0.000 2.465 185 G HA2 -0.298 3.673 3.960 0.018 0.000 0.310 185 G HA3 -0.298 3.673 3.960 0.018 0.000 0.310 185 G C 0.716 175.708 174.900 0.153 0.000 0.299 185 G CA 0.917 46.109 45.100 0.152 0.000 1.113 185 G HN 0.883 nan 8.290 nan 0.000 0.469 186 N N 0.114 118.974 118.700 0.267 0.000 2.416 186 N HA -0.057 4.694 4.740 0.018 0.000 0.326 186 N C 1.451 177.057 175.510 0.161 0.000 0.742 186 N CA 0.473 53.629 53.050 0.176 0.000 0.558 186 N CB -0.782 37.761 38.487 0.093 0.000 2.406 186 N HN 0.768 nan 8.380 nan 0.000 1.113 187 A N 1.899 124.802 122.820 0.139 0.000 2.358 187 A HA 0.316 4.647 4.320 0.018 0.000 0.232 187 A C 1.241 178.852 177.584 0.045 0.000 1.498 187 A CA 0.308 52.387 52.037 0.071 0.000 1.400 187 A CB -0.921 18.100 19.000 0.035 0.000 0.852 187 A HN 0.408 nan 8.150 nan 0.000 0.605 188 L N -2.402 118.872 121.223 0.085 0.000 3.327 188 L HA 0.247 4.598 4.340 0.018 0.000 0.299 188 L C 1.305 178.223 176.870 0.081 0.000 1.201 188 L CA 0.246 55.108 54.840 0.037 0.000 1.059 188 L CB 0.454 42.437 42.059 -0.127 0.000 1.488 188 L HN 0.514 nan 8.230 nan 0.000 0.609 189 E N 1.163 121.419 120.200 0.095 0.000 2.335 189 E HA 0.056 4.417 4.350 0.018 0.000 0.191 189 E C -0.646 175.974 176.600 0.033 0.000 1.077 189 E CA -0.029 56.408 56.400 0.062 0.000 1.010 189 E CB 0.352 30.096 29.700 0.074 0.000 1.141 189 E HN -0.004 nan 8.360 nan 0.000 0.452 190 K N 0.603 121.026 120.400 0.037 0.000 2.463 190 K HA 0.215 4.546 4.320 0.018 0.000 0.255 190 K C 0.121 176.747 176.600 0.043 0.000 0.942 190 K CA -0.531 55.774 56.287 0.030 0.000 0.814 190 K CB 1.508 34.025 32.500 0.029 0.000 1.122 190 K HN -0.014 nan 8.250 nan 0.000 0.425 191 K N 0.184 120.599 120.400 0.025 0.000 2.520 191 K HA -0.119 4.212 4.320 0.018 0.000 0.197 191 K C 1.564 178.208 176.600 0.073 0.000 1.043 191 K CA 0.806 57.118 56.287 0.041 0.000 0.944 191 K CB 0.193 32.700 32.500 0.011 0.000 0.770 191 K HN 0.364 nan 8.250 nan 0.000 0.480 192 S N 1.068 116.799 115.700 0.051 0.000 2.387 192 S HA -0.032 4.449 4.470 0.018 0.000 0.221 192 S C 1.485 176.104 174.600 0.032 0.000 1.041 192 S CA 0.662 58.883 58.200 0.036 0.000 0.959 192 S CB 0.007 63.218 63.200 0.018 0.000 0.843 192 S HN 0.292 nan 8.310 nan 0.000 0.488 193 N N 0.304 119.021 118.700 0.028 0.000 2.120 193 N HA -0.066 4.685 4.740 0.018 0.000 0.188 193 N C 1.449 176.959 175.510 0.000 0.000 1.024 193 N CA 1.465 54.510 53.050 -0.008 0.000 0.852 193 N CB -0.543 37.932 38.487 -0.020 0.000 1.003 193 N HN 0.489 nan 8.380 nan 0.000 0.424 194 Y N 1.862 122.124 120.300 -0.063 0.000 2.165 194 Y HA -0.184 4.377 4.550 0.018 0.000 0.286 194 Y C 2.145 178.024 175.900 -0.035 0.000 1.155 194 Y CA 1.485 59.550 58.100 -0.059 0.000 1.164 194 Y CB -0.047 38.385 38.460 -0.046 0.000 0.978 194 Y HN 0.054 nan 8.280 nan 0.000 0.513 195 E N -0.333 119.912 120.200 0.077 0.000 2.118 195 E HA -0.187 4.174 4.350 0.018 0.000 0.195 195 E C 2.311 178.876 176.600 -0.058 0.000 0.992 195 E CA 1.553 57.963 56.400 0.017 0.000 0.804 195 E CB -0.348 29.379 29.700 0.045 0.000 0.741 195 E HN 0.431 nan 8.360 nan 0.000 0.458 196 V N 1.254 121.129 119.914 -0.064 0.000 2.270 196 V HA -0.245 3.886 4.120 0.018 0.000 0.245 196 V C 2.540 178.580 176.094 -0.090 0.000 1.043 196 V CA 1.459 63.718 62.300 -0.069 0.000 1.014 196 V CB -0.592 31.184 31.823 -0.077 0.000 0.645 196 V HN 0.195 nan 8.190 nan 0.000 0.447 197 L N 0.116 121.248 121.223 -0.152 0.000 2.187 197 L HA -0.179 4.172 4.340 0.018 0.000 0.213 197 L C 2.214 179.012 176.870 -0.120 0.000 1.100 197 L CA 1.819 56.577 54.840 -0.137 0.000 0.765 197 L CB -0.559 41.346 42.059 -0.257 0.000 0.904 197 L HN 0.426 nan 8.230 nan 0.000 0.437 198 E N -0.701 119.377 120.200 -0.204 0.000 2.011 198 E HA -0.213 4.148 4.350 0.018 0.000 0.191 198 E C 2.012 178.585 176.600 -0.045 0.000 0.979 198 E CA 1.055 57.369 56.400 -0.143 0.000 0.822 198 E CB -0.263 29.341 29.700 -0.161 0.000 0.782 198 E HN 0.335 nan 8.360 nan 0.000 0.459 199 K N 0.804 121.182 120.400 -0.036 0.000 2.211 199 K HA -0.173 4.158 4.320 0.018 0.000 0.203 199 K C 1.858 178.456 176.600 -0.002 0.000 1.050 199 K CA 1.292 57.572 56.287 -0.012 0.000 0.945 199 K CB 0.126 32.620 32.500 -0.009 0.000 0.732 199 K HN 0.111 nan 8.250 nan 0.000 0.451 200 D N -0.415 119.983 120.400 -0.002 0.000 2.144 200 D HA -0.088 4.563 4.640 0.018 0.000 0.207 200 D C 1.713 178.036 176.300 0.038 0.000 0.970 200 D CA 1.142 55.151 54.000 0.014 0.000 0.853 200 D CB 0.374 41.180 40.800 0.010 0.000 1.007 200 D HN 0.061 nan 8.370 nan 0.000 0.469 201 V N -0.214 119.740 119.914 0.067 0.000 2.490 201 V HA 0.314 4.445 4.120 0.018 0.000 0.238 201 V C 1.119 177.258 176.094 0.076 0.000 1.056 201 V CA 0.823 63.188 62.300 0.108 0.000 1.075 201 V CB -0.132 31.845 31.823 0.258 0.000 0.746 201 V HN 0.538 nan 8.190 nan 0.000 0.479 202 G N -0.180 108.683 108.800 0.104 0.000 3.226 202 G HA2 -0.098 3.873 3.960 0.018 0.000 0.685 202 G HA3 -0.098 3.873 3.960 0.018 0.000 0.685 202 G C -0.209 174.800 174.900 0.183 0.000 1.207 202 G CA -0.317 44.831 45.100 0.081 0.000 0.877 202 G HN 0.180 nan 8.290 nan 0.000 0.585 203 L N 0.833 122.171 121.223 0.192 0.000 2.549 203 L HA -0.016 4.335 4.340 0.018 0.000 0.229 203 L C 2.839 179.940 176.870 0.385 0.000 1.158 203 L CA 1.185 56.249 54.840 0.373 0.000 0.842 203 L CB -0.223 41.980 42.059 0.240 0.000 0.952 203 L HN 0.581 nan 8.230 nan 0.000 0.452 204 R N 0.405 120.999 120.500 0.157 0.000 2.193 204 R HA -0.045 4.306 4.340 0.018 0.000 0.213 204 R C 2.148 178.398 176.300 -0.083 0.000 1.055 204 R CA 0.761 56.897 56.100 0.060 0.000 0.995 204 R CB -0.043 30.254 30.300 -0.004 0.000 0.893 204 R HN 0.116 nan 8.270 nan 0.000 0.459 205 R N -0.532 119.823 120.500 -0.242 0.000 2.235 205 R HA -0.026 4.325 4.340 0.018 0.000 0.213 205 R C 0.874 176.652 176.300 -0.871 0.000 1.059 205 R CA 0.982 56.698 56.100 -0.640 0.000 0.997 205 R CB -0.296 29.433 30.300 -0.952 0.000 0.884 205 R HN 0.333 nan 8.270 nan 0.000 0.462 206 F N -1.859 117.985 119.950 -0.177 0.000 2.789 206 F HA 0.336 4.873 4.527 0.017 0.000 0.320 206 F C 0.282 175.656 175.800 -0.711 0.000 1.079 206 F CA -0.572 57.142 58.000 -0.477 0.000 1.205 206 F CB 0.328 38.918 39.000 -0.684 0.000 1.046 206 F HN -0.253 nan 8.300 nan 0.000 0.586 207 F N 1.221 121.273 119.950 0.170 0.000 2.588 207 F HA 0.540 5.079 4.527 0.019 0.000 0.314 207 F C -2.450 173.364 175.800 0.023 0.000 1.069 207 F CA -3.040 55.031 58.000 0.117 0.000 0.931 207 F CB 1.134 40.213 39.000 0.132 0.000 1.260 207 F HN -0.382 nan 8.300 nan 0.000 0.465 208 P HA 0.066 nan 4.420 nan 0.000 0.271 208 P C 0.098 177.432 177.300 0.057 0.000 1.218 208 P CA -0.298 62.824 63.100 0.037 0.000 0.780 208 P CB 1.506 33.202 31.700 -0.008 0.000 0.901 209 K N 2.067 122.470 120.400 0.005 0.000 2.152 209 K HA -0.144 4.187 4.320 0.018 0.000 0.206 209 K C 2.159 178.765 176.600 0.009 0.000 1.048 209 K CA 1.835 58.126 56.287 0.006 0.000 0.933 209 K CB -0.999 31.488 32.500 -0.021 0.000 0.721 209 K HN 0.343 nan 8.250 nan 0.000 0.447 210 S N -0.396 115.307 115.700 0.004 0.000 2.382 210 S HA -0.105 4.376 4.470 0.018 0.000 0.228 210 S C 1.673 176.284 174.600 0.017 0.000 1.027 210 S CA 1.231 59.435 58.200 0.005 0.000 0.991 210 S CB -0.310 62.890 63.200 0.001 0.000 0.823 210 S HN 0.377 nan 8.310 nan 0.000 0.469 211 L N 1.207 122.452 121.223 0.037 0.000 2.095 211 L HA 0.210 4.561 4.340 0.018 0.000 0.204 211 L C 1.914 178.787 176.870 0.005 0.000 1.080 211 L CA 1.433 56.293 54.840 0.033 0.000 0.759 211 L CB -0.620 41.484 42.059 0.076 0.000 0.914 211 L HN 0.281 nan 8.230 nan 0.000 0.439 212 L N -0.371 120.865 121.223 0.021 0.000 2.450 212 L HA -0.149 4.202 4.340 0.018 0.000 0.224 212 L C 1.396 178.267 176.870 0.002 0.000 1.149 212 L CA 1.376 56.220 54.840 0.007 0.000 0.816 212 L CB -1.186 40.898 42.059 0.041 0.000 0.932 212 L HN 0.406 nan 8.230 nan 0.000 0.449 213 D N -2.081 118.321 120.400 0.003 0.000 2.463 213 D HA -0.016 4.635 4.640 0.018 0.000 0.237 213 D C 2.063 178.361 176.300 -0.003 0.000 1.013 213 D CA 0.979 54.979 54.000 -0.000 0.000 0.910 213 D CB 0.221 41.021 40.800 -0.001 0.000 1.080 213 D HN 0.237 nan 8.370 nan 0.000 0.498 214 S N -0.007 115.692 115.700 -0.002 0.000 2.607 214 S HA 0.133 4.614 4.470 0.018 0.000 0.224 214 S C 0.571 175.167 174.600 -0.006 0.000 0.969 214 S CA -0.378 57.820 58.200 -0.003 0.000 0.927 214 S CB 0.062 63.263 63.200 0.002 0.000 0.772 214 S HN 0.032 nan 8.310 nan 0.000 0.533 215 V N 0.942 120.849 119.914 -0.012 0.000 2.841 215 V HA 0.473 4.604 4.120 0.018 0.000 0.310 215 V C -0.659 175.425 176.094 -0.018 0.000 1.090 215 V CA -1.330 60.959 62.300 -0.018 0.000 0.930 215 V CB 1.981 33.787 31.823 -0.028 0.000 1.014 215 V HN 0.390 nan 8.190 nan 0.000 0.425 216 K N 4.538 124.928 120.400 -0.017 0.000 2.489 216 K HA 0.287 4.618 4.320 0.018 0.000 0.278 216 K C 1.241 177.830 176.600 -0.018 0.000 1.000 216 K CA 0.755 57.033 56.287 -0.015 0.000 1.012 216 K CB 1.298 33.789 32.500 -0.016 0.000 0.903 216 K HN 0.940 nan 8.250 nan 0.000 0.485 217 A N 5.167 127.983 122.820 -0.006 0.000 1.917 217 A HA -0.222 4.109 4.320 0.018 0.000 0.219 217 A C 2.088 179.664 177.584 -0.014 0.000 1.182 217 A CA 1.958 54.000 52.037 0.008 0.000 0.633 217 A CB -0.431 18.586 19.000 0.028 0.000 0.819 217 A HN 0.997 nan 8.150 nan 0.000 0.448 218 K N -1.243 119.141 120.400 -0.026 0.000 1.985 218 K HA -0.141 4.190 4.320 0.018 0.000 0.210 218 K C 2.195 178.750 176.600 -0.076 0.000 1.047 218 K CA 1.963 58.219 56.287 -0.053 0.000 0.932 218 K CB -0.415 32.062 32.500 -0.038 0.000 0.716 218 K HN 0.472 nan 8.250 nan 0.000 0.439 219 T N 2.071 116.592 114.554 -0.055 0.000 2.684 219 T HA -0.184 4.177 4.350 0.018 0.000 0.267 219 T C 1.707 176.364 174.700 -0.072 0.000 1.036 219 T CA 1.436 63.502 62.100 -0.056 0.000 1.148 219 T CB -0.291 68.555 68.868 -0.038 0.000 0.863 219 T HN 0.154 nan 8.240 nan 0.000 0.436 220 L N 1.502 122.683 121.223 -0.070 0.000 2.013 220 L HA -0.085 4.266 4.340 0.018 0.000 0.212 220 L C 2.515 179.314 176.870 -0.118 0.000 1.073 220 L CA 1.895 56.680 54.840 -0.091 0.000 0.753 220 L CB -0.617 41.393 42.059 -0.083 0.000 0.890 220 L HN 0.119 nan 8.230 nan 0.000 0.432 221 R N -0.329 120.077 120.500 -0.157 0.000 2.080 221 R HA -0.234 4.117 4.340 0.018 0.000 0.236 221 R C 2.309 178.417 176.300 -0.321 0.000 1.137 221 R CA 2.210 58.064 56.100 -0.411 0.000 0.943 221 R CB -0.212 29.697 30.300 -0.652 0.000 0.846 221 R HN 0.384 nan 8.270 nan 0.000 0.431 222 K N 0.312 120.586 120.400 -0.209 0.000 2.063 222 K HA -0.145 4.186 4.320 0.018 0.000 0.208 222 K C 2.181 178.739 176.600 -0.070 0.000 1.048 222 K CA 1.688 57.896 56.287 -0.131 0.000 0.928 222 K CB -0.234 32.210 32.500 -0.093 0.000 0.713 222 K HN 0.202 nan 8.250 nan 0.000 0.442 223 L N 0.810 121.999 121.223 -0.057 0.000 2.046 223 L HA -0.192 4.159 4.340 0.018 0.000 0.208 223 L C 2.349 179.235 176.870 0.028 0.000 1.077 223 L CA 1.160 55.992 54.840 -0.013 0.000 0.747 223 L CB -0.392 41.656 42.059 -0.019 0.000 0.896 223 L HN 0.187 nan 8.230 nan 0.000 0.432 224 I N -0.668 119.905 120.570 0.006 0.000 2.179 224 I HA -0.328 3.853 4.170 0.018 0.000 0.242 224 I C 2.658 178.867 176.117 0.154 0.000 1.088 224 I CA 1.397 62.756 61.300 0.098 0.000 1.357 224 I CB -0.366 37.691 38.000 0.094 0.000 1.051 224 I HN 0.364 nan 8.210 nan 0.000 0.409 225 Q N 0.054 119.891 119.800 0.062 0.000 2.084 225 Q HA -0.299 4.052 4.340 0.018 0.000 0.202 225 Q C 2.225 178.308 176.000 0.139 0.000 0.978 225 Q CA 1.613 57.477 55.803 0.102 0.000 0.844 225 Q CB -0.250 28.485 28.738 -0.006 0.000 0.898 225 Q HN 0.405 nan 8.270 nan 0.000 0.426 226 Q N 0.300 120.144 119.800 0.074 0.000 2.079 226 Q HA -0.109 4.242 4.340 0.018 0.000 0.200 226 Q C 1.921 177.960 176.000 0.066 0.000 0.974 226 Q CA 1.995 57.828 55.803 0.051 0.000 0.840 226 Q CB -0.202 28.549 28.738 0.021 0.000 0.898 226 Q HN 0.307 nan 8.270 nan 0.000 0.430 227 T N 0.234 114.859 114.554 0.117 0.000 2.777 227 T HA -0.109 4.252 4.350 0.018 0.000 0.266 227 T C 1.277 176.089 174.700 0.188 0.000 1.040 227 T CA 1.096 63.281 62.100 0.142 0.000 1.141 227 T CB -0.519 68.485 68.868 0.227 0.000 0.868 227 T HN 0.338 nan 8.240 nan 0.000 0.444 228 F N 2.418 122.448 119.950 0.134 0.000 2.192 228 F HA -0.081 4.456 4.527 0.018 0.000 0.301 228 F C 2.366 178.212 175.800 0.075 0.000 1.079 228 F CA 1.049 59.153 58.000 0.173 0.000 1.303 228 F CB -0.306 38.788 39.000 0.156 0.000 1.024 228 F HN -0.069 nan 8.300 nan 0.000 0.494 229 R N 0.150 120.610 120.500 -0.068 0.000 2.249 229 R HA -0.190 4.161 4.340 0.018 0.000 0.230 229 R C 2.062 178.179 176.300 -0.305 0.000 1.121 229 R CA 1.529 57.511 56.100 -0.197 0.000 0.997 229 R CB -0.171 30.084 30.300 -0.074 0.000 0.867 229 R HN 0.502 nan 8.270 nan 0.000 0.465 230 Q N -1.033 118.515 119.800 -0.421 0.000 2.083 230 Q HA -0.101 4.250 4.340 0.018 0.000 0.198 230 Q C 0.335 175.892 176.000 -0.738 0.000 0.969 230 Q CA 1.151 56.547 55.803 -0.678 0.000 0.838 230 Q CB 0.222 28.303 28.738 -1.096 0.000 0.900 230 Q HN 0.341 nan 8.270 nan 0.000 0.436 231 F N -1.078 118.760 119.950 -0.187 0.000 2.923 231 F HA 0.454 4.992 4.527 0.018 0.000 0.314 231 F C 0.993 176.594 175.800 -0.332 0.000 1.196 231 F CA -0.433 57.461 58.000 -0.178 0.000 1.320 231 F CB 0.215 39.172 39.000 -0.071 0.000 0.953 231 F HN -0.043 nan 8.300 nan 0.000 0.505 232 A N 0.868 123.491 122.820 -0.327 0.000 2.021 232 A HA -0.094 4.237 4.320 0.018 0.000 0.216 232 A C 2.204 179.712 177.584 -0.127 0.000 1.163 232 A CA 1.163 52.973 52.037 -0.378 0.000 0.676 232 A CB -0.354 18.414 19.000 -0.388 0.000 0.818 232 A HN 0.468 nan 8.150 nan 0.000 0.453 233 N N 0.344 118.996 118.700 -0.079 0.000 2.416 233 N HA 0.030 4.781 4.740 0.018 0.000 0.177 233 N C 0.437 175.956 175.510 0.014 0.000 1.036 233 N CA 0.118 53.153 53.050 -0.024 0.000 0.901 233 N CB -0.457 38.014 38.487 -0.027 0.000 0.976 233 N HN 0.415 nan 8.380 nan 0.000 0.444 234 L N 2.500 123.746 121.223 0.038 0.000 2.416 234 L HA 0.052 4.402 4.340 0.018 0.000 0.272 234 L C 0.780 177.681 176.870 0.051 0.000 1.161 234 L CA -0.602 54.276 54.840 0.063 0.000 0.845 234 L CB 0.229 42.354 42.059 0.110 0.000 1.119 234 L HN 0.243 nan 8.230 nan 0.000 0.464 235 N N 2.366 121.092 118.700 0.043 0.000 2.381 235 N HA 0.200 4.951 4.740 0.018 0.000 0.289 235 N C 0.753 176.276 175.510 0.020 0.000 1.288 235 N CA -0.414 52.658 53.050 0.037 0.000 0.960 235 N CB 0.397 38.905 38.487 0.035 0.000 1.116 235 N HN 0.325 nan 8.380 nan 0.000 0.557 236 R N -0.720 119.786 120.500 0.010 0.000 2.070 236 R HA -0.123 4.228 4.340 0.018 0.000 0.233 236 R C 1.917 178.190 176.300 -0.045 0.000 1.137 236 R CA 1.577 57.660 56.100 -0.028 0.000 0.945 236 R CB -0.490 29.800 30.300 -0.017 0.000 0.845 236 R HN 0.751 nan 8.270 nan 0.000 0.430 237 E N 1.240 121.440 120.200 -0.000 0.000 2.005 237 E HA -0.246 4.115 4.350 0.018 0.000 0.198 237 E C 1.885 178.503 176.600 0.030 0.000 1.010 237 E CA 1.957 58.371 56.400 0.024 0.000 0.825 237 E CB -0.010 29.720 29.700 0.050 0.000 0.769 237 E HN 0.440 nan 8.360 nan 0.000 0.456 238 E N 0.130 120.354 120.200 0.040 0.000 2.273 238 E HA -0.211 4.150 4.350 0.018 0.000 0.198 238 E C 2.071 178.694 176.600 0.039 0.000 1.002 238 E CA 1.247 57.680 56.400 0.054 0.000 0.828 238 E CB -0.214 29.521 29.700 0.059 0.000 0.747 238 E HN 0.060 nan 8.360 nan 0.000 0.491 239 S N 0.629 116.326 115.700 -0.006 0.000 2.357 239 S HA -0.052 4.429 4.470 0.018 0.000 0.221 239 S C 1.951 176.485 174.600 -0.110 0.000 1.031 239 S CA 0.711 58.874 58.200 -0.062 0.000 0.982 239 S CB -0.168 62.984 63.200 -0.081 0.000 0.853 239 S HN 0.329 nan 8.310 nan 0.000 0.458 240 I N 1.232 121.707 120.570 -0.158 0.000 2.286 240 I HA -0.122 4.059 4.170 0.018 0.000 0.245 240 I C 2.105 178.345 176.117 0.206 0.000 1.104 240 I CA 0.886 62.061 61.300 -0.207 0.000 1.397 240 I CB -0.310 37.515 38.000 -0.292 0.000 1.072 240 I HN 0.293 nan 8.210 nan 0.000 0.417 241 L N 0.580 121.934 121.223 0.219 0.000 2.083 241 L HA -0.221 4.130 4.340 0.018 0.000 0.209 241 L C 2.563 179.584 176.870 0.251 0.000 1.083 241 L CA 1.184 56.203 54.840 0.299 0.000 0.752 241 L CB -0.526 41.638 42.059 0.176 0.000 0.899 241 L HN 0.176 nan 8.230 nan 0.000 0.433 242 K N 0.349 120.832 120.400 0.139 0.000 2.097 242 K HA -0.205 4.126 4.320 0.018 0.000 0.205 242 K C 1.945 178.568 176.600 0.039 0.000 1.050 242 K CA 1.330 57.662 56.287 0.076 0.000 0.938 242 K CB -0.435 32.067 32.500 0.004 0.000 0.718 242 K HN 0.111 nan 8.250 nan 0.000 0.442 243 F N 0.005 119.876 119.950 -0.132 0.000 2.095 243 F HA -0.131 4.406 4.527 0.018 0.000 0.298 243 F C 1.518 177.194 175.800 -0.207 0.000 1.104 243 F CA 1.671 59.530 58.000 -0.234 0.000 1.232 243 F CB -0.375 38.459 39.000 -0.277 0.000 0.987 243 F HN 0.024 nan 8.300 nan 0.000 0.475 244 F N 0.657 120.685 119.950 0.131 0.000 2.171 244 F HA -0.152 4.386 4.527 0.019 0.000 0.300 244 F C 2.599 178.465 175.800 0.111 0.000 1.090 244 F CA 1.656 59.706 58.000 0.084 0.000 1.293 244 F CB -0.726 38.407 39.000 0.222 0.000 1.013 244 F HN 0.076 nan 8.300 nan 0.000 0.486 245 E N 0.521 120.867 120.200 0.243 0.000 2.110 245 E HA -0.203 4.158 4.350 0.018 0.000 0.193 245 E C 2.156 178.795 176.600 0.066 0.000 0.988 245 E CA 1.201 57.695 56.400 0.157 0.000 0.804 245 E CB 0.050 29.822 29.700 0.121 0.000 0.745 245 E HN 0.261 nan 8.360 nan 0.000 0.458 246 I N 0.808 121.352 120.570 -0.043 0.000 2.406 246 I HA -0.167 4.014 4.170 0.018 0.000 0.249 246 I C 2.449 178.473 176.117 -0.155 0.000 1.122 246 I CA 0.541 61.779 61.300 -0.104 0.000 1.431 246 I CB -0.960 36.933 38.000 -0.180 0.000 1.087 246 I HN 0.244 nan 8.210 nan 0.000 0.424 247 L N 0.394 121.449 121.223 -0.281 0.000 2.109 247 L HA -0.090 4.261 4.340 0.018 0.000 0.207 247 L C 2.718 179.669 176.870 0.136 0.000 1.086 247 L CA 1.552 56.246 54.840 -0.243 0.000 0.760 247 L CB -0.655 41.063 42.059 -0.567 0.000 0.910 247 L HN 0.111 nan 8.230 nan 0.000 0.437 248 S N -0.077 115.800 115.700 0.296 0.000 2.378 248 S HA -0.179 4.302 4.470 0.018 0.000 0.229 248 S C -0.174 174.478 174.600 0.088 0.000 1.052 248 S CA 2.279 60.631 58.200 0.254 0.000 1.084 248 S CB -1.243 62.086 63.200 0.214 0.000 0.950 248 S HN 0.379 nan 8.310 nan 0.000 0.440 249 P HA -0.011 nan 4.420 nan 0.000 0.219 249 P C 1.111 178.438 177.300 0.045 0.000 1.146 249 P CA 0.774 63.895 63.100 0.035 0.000 0.808 249 P CB 0.053 31.771 31.700 0.030 0.000 0.779 250 V N -3.376 116.587 119.914 0.082 0.000 3.380 250 V HA 0.274 4.405 4.120 0.018 0.000 0.307 250 V C -0.919 175.307 176.094 0.220 0.000 1.434 250 V CA -0.382 61.984 62.300 0.111 0.000 1.075 250 V CB -0.285 31.595 31.823 0.095 0.000 0.954 250 V HN -0.051 nan 8.190 nan 0.000 0.444 251 Y N 1.102 121.435 120.300 0.055 0.000 2.358 251 Y HA 0.585 5.146 4.550 0.017 0.000 0.324 251 Y C -0.290 175.652 175.900 0.071 0.000 1.123 251 Y CA -1.254 56.912 58.100 0.109 0.000 1.067 251 Y CB 1.133 39.705 38.460 0.188 0.000 1.230 251 Y HN -0.031 nan 8.280 nan 0.000 0.429 252 R N 6.133 126.348 120.500 -0.475 0.000 2.234 252 R HA 0.285 4.636 4.340 0.018 0.000 0.324 252 R C -0.713 175.327 176.300 -0.433 0.000 1.054 252 R CA -0.087 55.744 56.100 -0.447 0.000 0.912 252 R CB -0.133 29.974 30.300 -0.322 0.000 1.030 252 R HN 0.816 nan 8.270 nan 0.000 0.455 253 F N -0.640 119.260 119.950 -0.085 0.000 3.022 253 F HA 0.242 4.779 4.527 0.018 0.000 0.351 253 F C 0.354 176.213 175.800 0.097 0.000 1.170 253 F CA -0.895 57.131 58.000 0.043 0.000 1.066 253 F CB 0.233 39.373 39.000 0.235 0.000 1.297 253 F HN 0.301 nan 8.300 nan 0.000 0.519 254 D N 1.309 121.626 120.400 -0.137 0.000 2.402 254 D HA 0.188 4.839 4.640 0.018 0.000 0.216 254 D C 0.080 176.346 176.300 -0.056 0.000 1.128 254 D CA 0.135 54.087 54.000 -0.079 0.000 0.833 254 D CB 0.277 41.093 40.800 0.027 0.000 0.971 254 D HN 0.646 nan 8.370 nan 0.000 0.503 255 K N -1.270 119.099 120.400 -0.051 0.000 2.625 255 K HA 0.440 4.771 4.320 0.018 0.000 0.284 255 K C -1.456 175.115 176.600 -0.049 0.000 0.984 255 K CA -0.862 55.409 56.287 -0.027 0.000 0.865 255 K CB 1.538 34.014 32.500 -0.040 0.000 1.468 255 K HN -0.163 nan 8.250 nan 0.000 0.407 256 E N 0.769 120.953 120.200 -0.027 0.000 2.227 256 E HA 0.537 4.898 4.350 0.018 0.000 0.268 256 E C -1.110 175.337 176.600 -0.255 0.000 0.907 256 E CA -1.107 55.196 56.400 -0.162 0.000 0.786 256 E CB 2.219 31.855 29.700 -0.106 0.000 1.191 256 E HN 0.543 nan 8.360 nan 0.000 0.411 257 C N 1.904 120.884 119.300 -0.535 0.000 2.563 257 C HA 0.660 5.131 4.460 0.018 0.000 0.314 257 C C -1.139 173.432 174.990 -0.698 0.000 1.199 257 C CA -0.859 57.926 59.018 -0.389 0.000 1.564 257 C CB -0.022 27.612 27.740 -0.176 0.000 2.173 257 C HN 0.583 nan 8.230 nan 0.000 0.485 258 F N 0.830 120.803 119.950 0.037 0.000 2.569 258 F HA 0.458 4.995 4.527 0.017 0.000 0.312 258 F C 0.140 175.965 175.800 0.042 0.000 1.109 258 F CA -0.902 57.125 58.000 0.045 0.000 0.919 258 F CB 1.160 40.191 39.000 0.051 0.000 1.211 258 F HN 0.292 nan 8.300 nan 0.000 0.446 259 K N 3.084 123.603 120.400 0.199 0.000 2.310 259 K HA 0.564 4.894 4.320 0.018 0.000 0.290 259 K C -0.587 176.093 176.600 0.134 0.000 1.077 259 K CA -0.217 56.149 56.287 0.133 0.000 0.922 259 K CB 0.529 33.084 32.500 0.090 0.000 1.057 259 K HN 0.872 nan 8.250 nan 0.000 0.479 260 C N -0.423 118.943 119.300 0.110 0.000 3.311 260 C HA 0.900 5.371 4.460 0.018 0.000 0.366 260 C C -1.037 173.982 174.990 0.048 0.000 1.694 260 C CA -1.213 57.852 59.018 0.078 0.000 1.244 260 C CB 0.954 28.737 27.740 0.070 0.000 2.038 260 C HN 0.713 nan 8.230 nan 0.000 0.436 261 A N 0.462 123.299 122.820 0.028 0.000 2.374 261 A HA 0.818 5.149 4.320 0.018 0.000 0.305 261 A C -1.021 176.558 177.584 -0.008 0.000 1.053 261 A CA -0.483 51.561 52.037 0.011 0.000 0.726 261 A CB 0.697 19.708 19.000 0.018 0.000 1.229 261 A HN 0.937 nan 8.150 nan 0.000 0.431 262 L N 1.601 122.807 121.223 -0.029 0.000 2.375 262 L HA 0.834 5.185 4.340 0.018 0.000 0.268 262 L C 0.844 177.698 176.870 -0.026 0.000 1.058 262 L CA -0.123 54.690 54.840 -0.045 0.000 0.803 262 L CB 1.512 43.514 42.059 -0.094 0.000 1.212 262 L HN 1.316 nan 8.230 nan 0.000 0.451 263 G N 0.331 109.117 108.800 -0.023 0.000 2.675 263 G HA2 -0.124 3.847 3.960 0.018 0.000 0.686 263 G HA3 -0.124 3.847 3.960 0.018 0.000 0.686 263 G C 0.118 175.013 174.900 -0.009 0.000 1.215 263 G CA -0.160 44.940 45.100 -0.001 0.000 0.777 263 G HN 0.789 nan 8.290 nan 0.000 0.638 264 S N -0.424 115.269 115.700 -0.013 0.000 2.438 264 S HA 0.197 4.678 4.470 0.018 0.000 0.220 264 S C 2.606 177.160 174.600 -0.077 0.000 1.045 264 S CA 1.781 59.959 58.200 -0.036 0.000 0.940 264 S CB -0.494 62.687 63.200 -0.031 0.000 0.863 264 S HN 2.139 nan 8.310 nan 0.000 0.539 265 S N 0.908 116.550 115.700 -0.097 0.000 2.309 265 S HA 0.081 4.561 4.470 0.018 0.000 0.206 265 S C 0.147 174.534 174.600 -0.355 0.000 1.028 265 S CA -0.135 57.908 58.200 -0.261 0.000 0.972 265 S CB -1.230 61.805 63.200 -0.274 0.000 0.961 265 S HN 0.632 nan 8.310 nan 0.000 0.449 266 W N 2.033 123.321 121.300 -0.020 0.000 2.358 266 W HA 0.586 5.257 4.660 0.018 0.000 0.307 266 W C -0.576 175.926 176.519 -0.029 0.000 1.203 266 W CA -0.835 56.497 57.345 -0.022 0.000 1.279 266 W CB 0.181 29.627 29.460 -0.023 0.000 1.264 266 W HN 0.229 nan 8.180 nan 0.000 0.474 267 I N 5.951 126.609 120.570 0.147 0.000 2.315 267 I HA 0.231 4.412 4.170 0.018 0.000 0.291 267 I C -0.196 175.972 176.117 0.085 0.000 1.006 267 I CA -0.745 60.601 61.300 0.077 0.000 1.265 267 I CB 0.529 38.548 38.000 0.031 0.000 1.387 267 I HN 0.124 nan 8.210 nan 0.000 0.475 268 I N 5.518 126.113 120.570 0.042 0.000 2.382 268 I HA 0.164 4.345 4.170 0.018 0.000 0.286 268 I C 0.518 176.633 176.117 -0.003 0.000 1.002 268 I CA -0.441 60.868 61.300 0.016 0.000 1.135 268 I CB 1.568 39.553 38.000 -0.026 0.000 1.288 268 I HN 0.572 nan 8.210 nan 0.000 0.448 269 S N 6.986 122.695 115.700 0.015 0.000 2.549 269 S HA 0.602 5.083 4.470 0.018 0.000 0.283 269 S C 0.017 174.628 174.600 0.018 0.000 1.320 269 S CA -0.361 57.851 58.200 0.021 0.000 1.058 269 S CB 1.215 64.435 63.200 0.033 0.000 0.882 269 S HN 0.591 nan 8.310 nan 0.000 0.498 270 V N 0.072 120.004 119.914 0.030 0.000 3.080 270 V HA 0.751 4.882 4.120 0.018 0.000 0.311 270 V C -1.039 175.110 176.094 0.091 0.000 1.389 270 V CA -1.071 61.264 62.300 0.058 0.000 1.049 270 V CB 1.408 33.245 31.823 0.025 0.000 1.078 270 V HN 1.009 nan 8.190 nan 0.000 0.468 271 E N 0.248 120.525 120.200 0.128 0.000 2.244 271 E HA 0.614 4.975 4.350 0.018 0.000 0.260 271 E C -1.613 175.082 176.600 0.159 0.000 0.884 271 E CA -0.664 55.811 56.400 0.125 0.000 0.777 271 E CB 1.817 31.569 29.700 0.087 0.000 1.197 271 E HN 0.738 nan 8.360 nan 0.000 0.416 272 L N 2.689 124.024 121.223 0.187 0.000 2.357 272 L HA 0.692 5.043 4.340 0.018 0.000 0.273 272 L C -0.169 176.815 176.870 0.190 0.000 1.080 272 L CA -0.703 54.257 54.840 0.201 0.000 0.803 272 L CB 1.542 43.732 42.059 0.217 0.000 1.174 272 L HN 0.600 nan 8.230 nan 0.000 0.443 273 A N 5.041 127.936 122.820 0.124 0.000 2.335 273 A HA 0.766 5.096 4.320 0.018 0.000 0.304 273 A C -0.783 176.851 177.584 0.083 0.000 1.118 273 A CA -0.397 51.685 52.037 0.074 0.000 0.757 273 A CB 0.710 19.712 19.000 0.004 0.000 1.188 273 A HN 0.625 nan 8.150 nan 0.000 0.460 274 I N 2.596 123.249 120.570 0.139 0.000 2.418 274 I HA 0.674 4.855 4.170 0.018 0.000 0.287 274 I C 0.526 176.691 176.117 0.080 0.000 1.008 274 I CA -0.303 61.084 61.300 0.144 0.000 1.104 274 I CB 2.182 40.352 38.000 0.284 0.000 1.264 274 I HN 0.787 nan 8.210 nan 0.000 0.438 275 G N 6.122 114.912 108.800 -0.017 0.000 2.645 275 G HA2 0.456 4.426 3.960 0.018 0.000 0.292 275 G HA3 0.456 4.426 3.960 0.018 0.000 0.292 275 G C -2.694 172.140 174.900 -0.111 0.000 1.415 275 G CA -0.614 44.443 45.100 -0.071 0.000 0.785 275 G HN 0.280 nan 8.290 nan 0.000 0.483 276 P HA -0.036 nan 4.420 nan 0.000 0.216 276 P C 0.940 178.278 177.300 0.064 0.000 1.153 276 P CA 1.174 64.341 63.100 0.113 0.000 0.844 276 P CB 0.448 32.285 31.700 0.229 0.000 0.787 277 E N 0.684 120.911 120.200 0.046 0.000 2.046 277 E HA -0.135 4.226 4.350 0.018 0.000 0.190 277 E C 1.915 178.485 176.600 -0.050 0.000 0.982 277 E CA 1.134 57.535 56.400 0.000 0.000 0.800 277 E CB -0.580 29.125 29.700 0.009 0.000 0.756 277 E HN 0.563 nan 8.360 nan 0.000 0.449 278 E N 0.619 120.783 120.200 -0.059 0.000 2.474 278 E HA 0.100 4.461 4.350 0.018 0.000 0.195 278 E C 1.252 177.773 176.600 -0.132 0.000 1.039 278 E CA 0.688 57.051 56.400 -0.062 0.000 0.881 278 E CB 0.012 29.681 29.700 -0.051 0.000 0.970 278 E HN 0.079 nan 8.360 nan 0.000 0.486 279 G N 2.400 111.006 108.800 -0.323 0.000 2.622 279 G HA2 -0.340 3.631 3.960 0.018 0.000 0.307 279 G HA3 -0.340 3.631 3.960 0.018 0.000 0.307 279 G C 0.036 174.557 174.900 -0.631 0.000 1.226 279 G CA 0.602 45.150 45.100 -0.920 0.000 0.997 279 G HN 0.326 nan 8.290 nan 0.000 0.551 280 I N 2.254 122.484 120.570 -0.567 0.000 2.339 280 I HA 0.579 4.759 4.170 0.018 0.000 0.290 280 I C 0.447 176.421 176.117 -0.239 0.000 0.994 280 I CA 0.252 61.388 61.300 -0.274 0.000 1.191 280 I CB 1.688 39.560 38.000 -0.214 0.000 1.343 280 I HN 0.918 nan 8.210 nan 0.000 0.458 281 S N 5.192 120.835 115.700 -0.094 0.000 2.643 281 S HA 0.673 5.154 4.470 0.018 0.000 0.270 281 S C -1.198 173.447 174.600 0.075 0.000 1.166 281 S CA -0.887 57.285 58.200 -0.046 0.000 0.815 281 S CB 1.827 64.969 63.200 -0.097 0.000 1.139 281 S HN 0.565 nan 8.310 nan 0.000 0.472 282 Y N -0.701 119.575 120.300 -0.041 0.000 2.576 282 Y HA 0.832 5.393 4.550 0.018 0.000 0.346 282 Y C -1.457 174.437 175.900 -0.010 0.000 1.018 282 Y CA -1.596 56.496 58.100 -0.014 0.000 1.050 282 Y CB 0.985 39.437 38.460 -0.012 0.000 1.280 282 Y HN 0.682 nan 8.280 nan 0.000 0.474 283 L N 3.116 124.358 121.223 0.032 0.000 2.275 283 L HA 0.324 4.675 4.340 0.018 0.000 0.288 283 L C 1.047 177.947 176.870 0.050 0.000 1.046 283 L CA -0.193 54.625 54.840 -0.037 0.000 0.805 283 L CB 1.889 43.949 42.059 0.002 0.000 1.193 283 L HN 1.090 nan 8.230 nan 0.000 0.426 284 T N -1.393 113.141 114.554 -0.034 0.000 2.739 284 T HA -0.010 4.351 4.350 0.018 0.000 0.249 284 T C 0.354 175.077 174.700 0.038 0.000 1.050 284 T CA 0.344 62.472 62.100 0.047 0.000 1.165 284 T CB 0.011 68.876 68.868 -0.005 0.000 0.872 284 T HN 0.659 nan 8.240 nan 0.000 0.411 285 D N 0.166 120.568 120.400 0.004 0.000 2.457 285 D HA 0.357 5.008 4.640 0.018 0.000 0.240 285 D C 0.627 176.924 176.300 -0.006 0.000 1.041 285 D CA -0.826 53.177 54.000 0.005 0.000 0.861 285 D CB 2.582 43.382 40.800 -0.000 0.000 1.394 285 D HN -0.043 nan 8.370 nan 0.000 0.473 286 K N 2.079 122.479 120.400 -0.001 0.000 2.023 286 K HA -0.159 4.172 4.320 0.018 0.000 0.227 286 K C 1.248 177.838 176.600 -0.016 0.000 1.054 286 K CA 2.054 58.337 56.287 -0.006 0.000 0.977 286 K CB -0.936 31.563 32.500 -0.003 0.000 0.733 286 K HN 0.651 nan 8.250 nan 0.000 0.451 287 G N -0.575 108.216 108.800 -0.014 0.000 2.915 287 G HA2 0.534 4.505 3.960 0.018 0.000 0.298 287 G HA3 0.534 4.505 3.960 0.018 0.000 0.298 287 G C -0.909 173.977 174.900 -0.024 0.000 0.837 287 G CA 0.221 45.310 45.100 -0.019 0.000 1.752 287 G HN 0.566 nan 8.290 nan 0.000 0.526 288 A N 2.335 125.134 122.820 -0.034 0.000 2.511 288 A HA 0.633 4.964 4.320 0.018 0.000 0.293 288 A C -0.623 176.926 177.584 -0.059 0.000 1.098 288 A CA -0.980 51.030 52.037 -0.044 0.000 0.643 288 A CB 0.686 19.659 19.000 -0.045 0.000 1.302 288 A HN 0.491 nan 8.150 nan 0.000 0.446 289 N N 0.550 119.208 118.700 -0.069 0.000 2.524 289 N HA 0.518 5.269 4.740 0.018 0.000 0.283 289 N C -2.663 172.776 175.510 -0.118 0.000 1.142 289 N CA -1.234 51.767 53.050 -0.082 0.000 0.984 289 N CB 0.857 39.299 38.487 -0.074 0.000 1.155 289 N HN 0.349 nan 8.380 nan 0.000 0.467 290 P HA 0.062 nan 4.420 nan 0.000 0.271 290 P C -0.963 176.204 177.300 -0.221 0.000 1.216 290 P CA 0.112 63.107 63.100 -0.174 0.000 0.771 290 P CB 0.591 32.222 31.700 -0.114 0.000 0.864 291 T N 2.449 116.751 114.554 -0.419 0.000 2.728 291 T HA 0.118 4.479 4.350 0.018 0.000 0.296 291 T C 0.039 174.603 174.700 -0.227 0.000 0.940 291 T CA -0.122 61.740 62.100 -0.396 0.000 1.013 291 T CB -0.322 68.120 68.868 -0.711 0.000 0.912 291 T HN 0.398 nan 8.240 nan 0.000 0.484 292 H N 2.870 121.848 119.070 -0.153 0.000 2.972 292 H HA 0.137 4.704 4.556 0.018 0.000 0.343 292 H C 0.451 175.768 175.328 -0.018 0.000 1.054 292 H CA 0.411 56.402 56.048 -0.096 0.000 1.412 292 H CB 0.352 30.056 29.762 -0.097 0.000 1.385 292 H HN 0.570 nan 8.280 nan 0.000 0.600 293 L N 2.999 123.837 121.223 -0.642 0.000 2.663 293 L HA 0.518 4.869 4.340 0.018 0.000 0.218 293 L C 0.166 176.716 176.870 -0.532 0.000 1.043 293 L CA 0.630 55.252 54.840 -0.364 0.000 0.876 293 L CB 0.334 42.310 42.059 -0.138 0.000 1.263 293 L HN 0.744 nan 8.230 nan 0.000 0.486 294 A N -1.098 121.234 122.820 -0.812 0.000 2.597 294 A HA 0.530 4.861 4.320 0.018 0.000 0.292 294 A C -1.993 175.374 177.584 -0.362 0.000 1.057 294 A CA -0.626 51.150 52.037 -0.435 0.000 0.674 294 A CB 1.236 20.109 19.000 -0.211 0.000 1.278 294 A HN -0.068 nan 8.150 nan 0.000 0.416 295 D N 0.236 120.567 120.400 -0.114 0.000 2.163 295 D HA 0.550 5.201 4.640 0.018 0.000 0.248 295 D C 0.825 177.013 176.300 -0.187 0.000 1.035 295 D CA -0.332 53.562 54.000 -0.177 0.000 0.872 295 D CB 0.861 41.645 40.800 -0.027 0.000 1.183 295 D HN 0.388 nan 8.370 nan 0.000 0.445 296 F N 1.128 121.051 119.950 -0.045 0.000 2.154 296 F HA -0.262 4.276 4.527 0.018 0.000 0.301 296 F C 2.037 177.777 175.800 -0.100 0.000 1.087 296 F CA 1.056 59.006 58.000 -0.083 0.000 1.274 296 F CB -0.408 38.552 39.000 -0.066 0.000 1.009 296 F HN 0.401 nan 8.300 nan 0.000 0.485 297 N N 0.385 119.150 118.700 0.108 0.000 2.573 297 N HA -0.167 4.584 4.740 0.018 0.000 0.187 297 N C 1.046 176.577 175.510 0.035 0.000 1.107 297 N CA 0.952 54.033 53.050 0.052 0.000 0.918 297 N CB -0.622 37.898 38.487 0.054 0.000 0.966 297 N HN 0.423 nan 8.380 nan 0.000 0.448 298 Q N -0.191 119.624 119.800 0.025 0.000 2.356 298 Q HA 0.201 4.552 4.340 0.018 0.000 0.205 298 Q C -0.412 175.607 176.000 0.031 0.000 0.901 298 Q CA -0.087 55.732 55.803 0.026 0.000 0.938 298 Q CB 0.916 29.662 28.738 0.012 0.000 1.081 298 Q HN 0.219 nan 8.270 nan 0.000 0.517 299 V N 2.338 122.265 119.914 0.022 0.000 2.439 299 V HA -0.041 4.090 4.120 0.018 0.000 0.271 299 V C 0.912 177.066 176.094 0.100 0.000 1.040 299 V CA 0.466 62.784 62.300 0.031 0.000 1.002 299 V CB 0.971 32.792 31.823 -0.003 0.000 1.000 299 V HN 0.313 nan 8.190 nan 0.000 0.477 300 Q N 2.673 122.550 119.800 0.128 0.000 2.200 300 Q HA 0.105 4.456 4.340 0.018 0.000 0.197 300 Q C 0.783 176.927 176.000 0.239 0.000 0.953 300 Q CA 1.151 57.066 55.803 0.186 0.000 0.851 300 Q CB 0.503 29.304 28.738 0.106 0.000 0.938 300 Q HN 0.931 nan 8.270 nan 0.000 0.488 301 T N -2.059 112.589 114.554 0.156 0.000 2.883 301 T HA 0.696 5.057 4.350 0.018 0.000 0.301 301 T C -0.862 173.890 174.700 0.087 0.000 1.158 301 T CA -0.833 61.348 62.100 0.136 0.000 1.007 301 T CB 1.563 70.473 68.868 0.071 0.000 1.186 301 T HN 0.039 nan 8.240 nan 0.000 0.499 302 I N 1.796 122.409 120.570 0.071 0.000 2.647 302 I HA 0.605 4.786 4.170 0.018 0.000 0.295 302 I C -0.596 175.497 176.117 -0.040 0.000 1.078 302 I CA -0.891 60.407 61.300 -0.003 0.000 1.048 302 I CB 2.259 40.253 38.000 -0.009 0.000 1.239 302 I HN 0.939 nan 8.210 nan 0.000 0.421 303 Q N 4.116 123.853 119.800 -0.106 0.000 2.534 303 Q HA 0.489 4.840 4.340 0.018 0.000 0.290 303 Q C -2.103 173.788 176.000 -0.181 0.000 0.991 303 Q CA -1.006 54.748 55.803 -0.081 0.000 0.783 303 Q CB 2.080 30.822 28.738 0.006 0.000 1.470 303 Q HN 0.467 nan 8.270 nan 0.000 0.406 304 Y N 0.360 120.657 120.300 -0.005 0.000 2.323 304 Y HA 0.555 5.116 4.550 0.018 0.000 0.331 304 Y C -0.117 175.781 175.900 -0.004 0.000 1.092 304 Y CA -0.235 57.863 58.100 -0.004 0.000 1.150 304 Y CB 2.438 40.896 38.460 -0.005 0.000 1.200 304 Y HN 0.575 nan 8.280 nan 0.000 0.472 305 S N 1.694 117.473 115.700 0.130 0.000 2.532 305 S HA 0.229 4.710 4.470 0.018 0.000 0.301 305 S C -0.704 173.937 174.600 0.068 0.000 1.083 305 S CA -1.085 57.160 58.200 0.074 0.000 1.025 305 S CB 0.808 64.028 63.200 0.033 0.000 1.056 305 S HN 0.571 nan 8.310 nan 0.000 0.494 306 N N 2.280 121.006 118.700 0.044 0.000 2.394 306 N HA 0.041 4.792 4.740 0.018 0.000 0.282 306 N C 0.187 175.711 175.510 0.024 0.000 1.351 306 N CA 0.506 53.574 53.050 0.029 0.000 0.936 306 N CB -0.024 38.472 38.487 0.016 0.000 1.274 306 N HN 0.427 nan 8.380 nan 0.000 0.489 307 S N 1.720 117.438 115.700 0.030 0.000 2.611 307 S HA -0.019 4.461 4.470 0.018 0.000 0.252 307 S C 0.085 174.691 174.600 0.011 0.000 1.369 307 S CA -0.305 57.910 58.200 0.024 0.000 0.975 307 S CB 0.164 63.384 63.200 0.033 0.000 0.937 307 S HN 0.487 nan 8.310 nan 0.000 0.584 308 E N 1.809 122.014 120.200 0.008 0.000 2.159 308 E HA 0.181 4.542 4.350 0.018 0.000 0.272 308 E C -0.181 176.421 176.600 0.003 0.000 1.138 308 E CA -0.046 56.354 56.400 -0.000 0.000 0.915 308 E CB -0.581 29.117 29.700 -0.004 0.000 1.028 308 E HN 0.406 nan 8.360 nan 0.000 0.423 309 D N 2.764 123.164 120.400 -0.000 0.000 2.983 309 D HA -0.238 4.413 4.640 0.018 0.000 0.225 309 D C -0.358 175.944 176.300 0.004 0.000 1.174 309 D CA 1.108 55.109 54.000 0.001 0.000 0.831 309 D CB -0.630 40.170 40.800 0.000 0.000 1.104 309 D HN 0.556 nan 8.370 nan 0.000 0.421 310 K N -1.036 119.368 120.400 0.007 0.000 3.130 310 K HA -0.240 4.091 4.320 0.018 0.000 0.282 310 K C -0.026 176.582 176.600 0.014 0.000 1.145 310 K CA 1.340 57.633 56.287 0.010 0.000 0.831 310 K CB -1.310 31.192 32.500 0.004 0.000 1.226 310 K HN 0.604 nan 8.250 nan 0.000 0.478 311 D N 0.086 120.496 120.400 0.016 0.000 2.378 311 D HA 0.051 4.702 4.640 0.018 0.000 0.238 311 D C 0.259 176.577 176.300 0.030 0.000 1.180 311 D CA -0.282 53.730 54.000 0.021 0.000 0.895 311 D CB 0.653 41.465 40.800 0.019 0.000 1.192 311 D HN 0.096 nan 8.370 nan 0.000 0.438 312 R N 1.932 122.452 120.500 0.034 0.000 4.113 312 R HA 0.159 4.510 4.340 0.018 0.000 0.179 312 R C -0.645 175.687 176.300 0.053 0.000 1.781 312 R CA 0.353 56.481 56.100 0.046 0.000 1.402 312 R CB -0.806 29.523 30.300 0.049 0.000 1.375 312 R HN 0.267 nan 8.270 nan 0.000 0.786 313 K N 1.329 121.761 120.400 0.054 0.000 2.896 313 K HA 0.214 4.545 4.320 0.018 0.000 0.228 313 K C -0.569 176.069 176.600 0.064 0.000 1.151 313 K CA -0.331 55.989 56.287 0.057 0.000 1.035 313 K CB 1.494 34.020 32.500 0.043 0.000 1.263 313 K HN 0.552 nan 8.250 nan 0.000 0.574 314 G N 2.170 111.022 108.800 0.087 0.000 2.265 314 G HA2 0.006 3.977 3.960 0.018 0.000 0.240 314 G HA3 0.006 3.977 3.960 0.018 0.000 0.240 314 G C -0.189 174.765 174.900 0.090 0.000 1.270 314 G CA 0.089 45.260 45.100 0.118 0.000 0.901 314 G HN 0.426 nan 8.290 nan 0.000 0.507 315 M N 1.993 121.649 119.600 0.093 0.000 2.336 315 M HA 0.605 5.096 4.480 0.018 0.000 0.342 315 M C -1.279 175.029 176.300 0.013 0.000 1.128 315 M CA -0.876 54.450 55.300 0.042 0.000 1.016 315 M CB 1.586 34.207 32.600 0.035 0.000 1.665 315 M HN 0.367 nan 8.290 nan 0.000 0.445 316 L N 4.073 125.264 121.223 -0.053 0.000 2.386 316 L HA 0.518 4.869 4.340 0.018 0.000 0.271 316 L C -1.240 175.573 176.870 -0.095 0.000 0.993 316 L CA -0.057 54.700 54.840 -0.139 0.000 0.819 316 L CB 2.416 44.357 42.059 -0.196 0.000 1.294 316 L HN 0.653 nan 8.230 nan 0.000 0.414 317 Q N 4.085 123.828 119.800 -0.094 0.000 2.356 317 Q HA 0.647 4.998 4.340 0.018 0.000 0.270 317 Q C -1.672 174.297 176.000 -0.052 0.000 1.058 317 Q CA -0.970 54.799 55.803 -0.056 0.000 0.802 317 Q CB 2.951 31.670 28.738 -0.032 0.000 1.303 317 Q HN 0.309 nan 8.270 nan 0.000 0.444 318 L N 2.167 123.368 121.223 -0.037 0.000 2.333 318 L HA 0.414 4.765 4.340 0.018 0.000 0.280 318 L C -0.425 176.441 176.870 -0.006 0.000 1.004 318 L CA -0.280 54.548 54.840 -0.020 0.000 0.820 318 L CB 1.579 43.624 42.059 -0.024 0.000 1.247 318 L HN 0.359 nan 8.230 nan 0.000 0.416 319 K N 3.989 124.396 120.400 0.012 0.000 2.264 319 K HA 0.514 4.845 4.320 0.018 0.000 0.277 319 K C -0.955 175.660 176.600 0.024 0.000 1.067 319 K CA -0.617 55.681 56.287 0.017 0.000 0.900 319 K CB 1.156 33.671 32.500 0.024 0.000 1.124 319 K HN 0.318 nan 8.250 nan 0.000 0.469 320 I N 2.585 123.163 120.570 0.013 0.000 2.359 320 I HA 0.138 4.319 4.170 0.018 0.000 0.294 320 I C 0.333 176.461 176.117 0.018 0.000 0.987 320 I CA -0.231 61.077 61.300 0.013 0.000 1.225 320 I CB 1.592 39.588 38.000 -0.006 0.000 1.366 320 I HN 0.574 nan 8.210 nan 0.000 0.466 321 A N 4.762 127.599 122.820 0.028 0.000 2.548 321 A HA 0.441 4.772 4.320 0.018 0.000 0.247 321 A C 1.340 178.936 177.584 0.020 0.000 1.067 321 A CA 0.749 52.803 52.037 0.028 0.000 0.757 321 A CB -0.710 18.311 19.000 0.036 0.000 0.996 321 A HN 1.416 nan 8.150 nan 0.000 0.504 322 G N 0.816 109.626 108.800 0.018 0.000 2.195 322 G HA2 0.179 4.150 3.960 0.018 0.000 0.246 322 G HA3 0.179 4.150 3.960 0.018 0.000 0.246 322 G C 0.417 175.323 174.900 0.011 0.000 0.984 322 G CA 0.347 45.456 45.100 0.015 0.000 0.633 322 G HN 2.274 nan 8.290 nan 0.000 0.525 323 A N 0.904 123.730 122.820 0.009 0.000 2.271 323 A HA 0.820 5.151 4.320 0.018 0.000 0.317 323 A C -0.194 177.394 177.584 0.007 0.000 1.245 323 A CA -0.608 51.432 52.037 0.006 0.000 0.857 323 A CB 1.341 20.340 19.000 -0.000 0.000 1.175 323 A HN 0.112 nan 8.150 nan 0.000 0.512 324 P HA -0.072 nan 4.420 nan 0.000 0.216 324 P C 0.080 177.384 177.300 0.006 0.000 1.153 324 P CA 1.044 64.148 63.100 0.007 0.000 0.844 324 P CB 0.312 32.017 31.700 0.008 0.000 0.787 325 E N 1.500 121.702 120.200 0.004 0.000 2.231 325 E HA 0.315 4.676 4.350 0.018 0.000 0.277 325 E C -2.076 174.522 176.600 -0.003 0.000 0.999 325 E CA -2.267 54.134 56.400 0.002 0.000 0.827 325 E CB 0.759 30.462 29.700 0.004 0.000 1.101 325 E HN 0.278 nan 8.360 nan 0.000 0.393 326 P HA 0.100 nan 4.420 nan 0.000 0.276 326 P C -0.917 176.373 177.300 -0.017 0.000 1.252 326 P CA -0.613 62.482 63.100 -0.009 0.000 0.802 326 P CB 0.781 32.476 31.700 -0.008 0.000 1.035 327 L N 1.386 122.595 121.223 -0.024 0.000 2.265 327 L HA 0.353 4.704 4.340 0.018 0.000 0.288 327 L C -0.308 176.540 176.870 -0.036 0.000 1.058 327 L CA 0.435 55.255 54.840 -0.034 0.000 0.809 327 L CB 0.421 42.455 42.059 -0.042 0.000 1.179 327 L HN 0.302 nan 8.230 nan 0.000 0.429 328 T N 4.808 119.342 114.554 -0.034 0.000 2.779 328 T HA 0.625 4.986 4.350 0.018 0.000 0.280 328 T C -0.677 174.001 174.700 -0.036 0.000 0.987 328 T CA -0.410 61.670 62.100 -0.033 0.000 0.966 328 T CB 1.282 70.135 68.868 -0.025 0.000 0.933 328 T HN 0.327 nan 8.240 nan 0.000 0.442 329 V N 3.549 123.439 119.914 -0.041 0.000 2.487 329 V HA 0.501 4.632 4.120 0.018 0.000 0.298 329 V C 0.090 176.170 176.094 -0.023 0.000 1.028 329 V CA -0.795 61.483 62.300 -0.037 0.000 0.860 329 V CB 1.993 33.782 31.823 -0.056 0.000 0.991 329 V HN 0.926 nan 8.190 nan 0.000 0.427 330 T N 4.443 118.994 114.554 -0.005 0.000 2.770 330 T HA 0.726 5.087 4.350 0.018 0.000 0.283 330 T C 0.165 174.880 174.700 0.025 0.000 0.988 330 T CA -0.149 61.958 62.100 0.012 0.000 0.957 330 T CB 1.541 70.417 68.868 0.013 0.000 0.930 330 T HN 0.937 nan 8.240 nan 0.000 0.443 331 A N 4.545 127.388 122.820 0.037 0.000 2.281 331 A HA 0.731 5.062 4.320 0.018 0.000 0.329 331 A C -1.775 175.850 177.584 0.069 0.000 1.122 331 A CA -1.860 50.212 52.037 0.058 0.000 0.850 331 A CB 0.497 19.533 19.000 0.061 0.000 1.207 331 A HN 0.484 nan 8.150 nan 0.000 0.495 332 P HA -0.005 nan 4.420 nan 0.000 0.223 332 P C 0.182 177.530 177.300 0.080 0.000 1.151 332 P CA 1.618 64.764 63.100 0.076 0.000 0.787 332 P CB 0.185 31.934 31.700 0.083 0.000 0.788 333 S N -2.962 112.795 115.700 0.095 0.000 2.625 333 S HA 0.292 4.773 4.470 0.018 0.000 0.271 333 S C 0.255 174.928 174.600 0.121 0.000 1.161 333 S CA -0.770 57.492 58.200 0.103 0.000 0.820 333 S CB 0.616 63.883 63.200 0.112 0.000 1.137 333 S HN -0.128 nan 8.310 nan 0.000 0.470 334 L N 1.337 122.635 121.223 0.125 0.000 2.156 334 L HA 0.154 4.505 4.340 0.018 0.000 0.208 334 L C 2.282 179.266 176.870 0.190 0.000 1.095 334 L CA 2.303 57.230 54.840 0.144 0.000 0.770 334 L CB -1.313 40.808 42.059 0.102 0.000 0.914 334 L HN 0.958 nan 8.230 nan 0.000 0.439 335 T N -0.086 114.591 114.554 0.204 0.000 2.708 335 T HA -0.129 4.232 4.350 0.018 0.000 0.266 335 T C 1.941 176.775 174.700 0.223 0.000 1.037 335 T CA 2.046 64.301 62.100 0.258 0.000 1.146 335 T CB -0.244 68.767 68.868 0.239 0.000 0.865 335 T HN 0.320 nan 8.240 nan 0.000 0.435 336 I N 1.235 121.915 120.570 0.183 0.000 2.315 336 I HA -0.145 4.036 4.170 0.018 0.000 0.248 336 I C 2.862 179.058 176.117 0.132 0.000 1.117 336 I CA 0.926 62.339 61.300 0.189 0.000 1.404 336 I CB -0.447 37.665 38.000 0.187 0.000 1.071 336 I HN 0.182 nan 8.210 nan 0.000 0.419 337 A N 0.578 123.479 122.820 0.135 0.000 1.933 337 A HA -0.219 4.112 4.320 0.018 0.000 0.218 337 A C 2.199 179.883 177.584 0.168 0.000 1.175 337 A CA 1.681 53.784 52.037 0.110 0.000 0.628 337 A CB -0.483 18.624 19.000 0.178 0.000 0.814 337 A HN 0.456 nan 8.150 nan 0.000 0.444 338 E N -0.182 120.188 120.200 0.283 0.000 2.072 338 E HA -0.132 4.229 4.350 0.018 0.000 0.190 338 E C 1.695 178.455 176.600 0.267 0.000 0.982 338 E CA 0.882 57.489 56.400 0.345 0.000 0.803 338 E CB -0.181 29.726 29.700 0.345 0.000 0.755 338 E HN 0.528 nan 8.360 nan 0.000 0.453 339 N N 0.692 119.549 118.700 0.263 0.000 2.166 339 N HA -0.139 4.612 4.740 0.018 0.000 0.186 339 N C 1.762 177.318 175.510 0.076 0.000 1.019 339 N CA 1.205 54.430 53.050 0.291 0.000 0.856 339 N CB -0.113 38.628 38.487 0.424 0.000 0.993 339 N HN 0.211 nan 8.380 nan 0.000 0.426 340 M N 0.257 119.782 119.600 -0.125 0.000 2.156 340 M HA -0.005 4.485 4.480 0.018 0.000 0.264 340 M C 2.246 178.441 176.300 -0.175 0.000 1.067 340 M CA 1.121 56.172 55.300 -0.415 0.000 1.131 340 M CB -0.190 32.050 32.600 -0.600 0.000 1.368 340 M HN 0.122 nan 8.290 nan 0.000 0.416 341 A N 0.493 123.262 122.820 -0.084 0.000 1.877 341 A HA -0.260 4.070 4.320 0.018 0.000 0.216 341 A C 1.721 179.338 177.584 0.055 0.000 1.186 341 A CA 2.423 54.421 52.037 -0.064 0.000 0.620 341 A CB -1.096 17.840 19.000 -0.108 0.000 0.822 341 A HN 0.536 nan 8.150 nan 0.000 0.443 342 D N -0.928 119.566 120.400 0.157 0.000 2.149 342 D HA -0.171 4.480 4.640 0.018 0.000 0.198 342 D C 1.745 178.135 176.300 0.151 0.000 0.990 342 D CA 1.450 55.598 54.000 0.246 0.000 0.839 342 D CB -0.131 40.855 40.800 0.309 0.000 0.948 342 D HN 0.283 nan 8.370 nan 0.000 0.460 343 L N 0.143 121.411 121.223 0.074 0.000 2.044 343 L HA 0.034 4.385 4.340 0.018 0.000 0.205 343 L C 2.086 179.026 176.870 0.117 0.000 1.075 343 L CA 1.420 56.322 54.840 0.104 0.000 0.747 343 L CB -0.404 41.697 42.059 0.070 0.000 0.903 343 L HN 0.201 nan 8.230 nan 0.000 0.435 344 I N -0.465 120.140 120.570 0.058 0.000 2.252 344 I HA -0.249 3.932 4.170 0.018 0.000 0.245 344 I C 2.114 178.194 176.117 -0.063 0.000 1.102 344 I CA 1.493 62.817 61.300 0.039 0.000 1.385 344 I CB -0.452 37.576 38.000 0.046 0.000 1.064 344 I HN 0.329 nan 8.210 nan 0.000 0.414 345 D N 1.010 121.392 120.400 -0.030 0.000 2.144 345 D HA -0.136 4.515 4.640 0.018 0.000 0.199 345 D C 2.197 178.370 176.300 -0.212 0.000 0.984 345 D CA 1.529 55.513 54.000 -0.027 0.000 0.834 345 D CB -0.202 40.688 40.800 0.150 0.000 0.955 345 D HN 0.271 nan 8.370 nan 0.000 0.465 346 G N -1.185 107.374 108.800 -0.402 0.000 2.418 346 G HA2 -0.285 3.686 3.960 0.018 0.000 0.217 346 G HA3 -0.285 3.686 3.960 0.018 0.000 0.217 346 G C 1.490 175.868 174.900 -0.870 0.000 1.158 346 G CA 0.720 45.165 45.100 -1.093 0.000 0.771 346 G HN 0.352 nan 8.290 nan 0.000 0.545 347 Y N -0.040 119.911 120.300 -0.581 0.000 2.293 347 Y HA -0.105 4.456 4.550 0.018 0.000 0.291 347 Y C 3.098 178.647 175.900 -0.584 0.000 1.137 347 Y CA 0.717 58.376 58.100 -0.735 0.000 1.202 347 Y CB -0.194 37.248 38.460 -1.696 0.000 0.990 347 Y HN 0.228 nan 8.280 nan 0.000 0.537 348 C N -0.368 118.691 119.300 -0.401 0.000 2.440 348 C HA -0.149 4.322 4.460 0.018 0.000 0.278 348 C C 2.691 177.385 174.990 -0.494 0.000 1.295 348 C CA 0.959 59.642 59.018 -0.558 0.000 1.738 348 C CB -0.898 26.280 27.740 -0.936 0.000 1.987 348 C HN 0.484 nan 8.230 nan 0.000 0.492 349 R N -0.096 120.244 120.500 -0.267 0.000 2.073 349 R HA -0.059 4.292 4.340 0.018 0.000 0.229 349 R C 2.097 178.355 176.300 -0.070 0.000 1.120 349 R CA 0.983 57.064 56.100 -0.031 0.000 0.967 349 R CB -0.562 29.707 30.300 -0.050 0.000 0.862 349 R HN 0.403 nan 8.270 nan 0.000 0.436 350 L N 0.848 121.971 121.223 -0.167 0.000 1.955 350 L HA -0.175 4.176 4.340 0.018 0.000 0.213 350 L C 2.086 178.949 176.870 -0.012 0.000 1.072 350 L CA 1.733 56.518 54.840 -0.092 0.000 0.755 350 L CB -0.605 41.375 42.059 -0.131 0.000 0.888 350 L HN -0.101 nan 8.230 nan 0.000 0.432 351 V N 0.124 120.038 119.914 -0.001 0.000 2.546 351 V HA -0.293 3.838 4.120 0.018 0.000 0.254 351 V C 1.674 177.795 176.094 0.044 0.000 1.076 351 V CA 2.194 64.526 62.300 0.053 0.000 1.087 351 V CB -1.069 30.816 31.823 0.103 0.000 0.674 351 V HN 0.590 nan 8.190 nan 0.000 0.470 352 N N -0.784 117.936 118.700 0.033 0.000 2.205 352 N HA 0.291 5.042 4.740 0.018 0.000 0.201 352 N C 1.305 176.873 175.510 0.097 0.000 1.128 352 N CA 0.651 53.755 53.050 0.090 0.000 0.867 352 N CB 0.897 39.493 38.487 0.181 0.000 0.996 352 N HN 0.428 nan 8.380 nan 0.000 0.503 353 G N 0.229 109.070 108.800 0.068 0.000 2.187 353 G HA2 -0.310 3.661 3.960 0.018 0.000 0.261 353 G HA3 -0.310 3.661 3.960 0.018 0.000 0.261 353 G C 0.211 175.155 174.900 0.072 0.000 1.000 353 G CA 0.484 45.620 45.100 0.060 0.000 0.718 353 G HN 0.559 nan 8.290 nan 0.000 0.519 354 A N -0.424 122.466 122.820 0.118 0.000 2.354 354 A HA 0.746 5.077 4.320 0.018 0.000 0.269 354 A C 1.529 179.164 177.584 0.085 0.000 1.109 354 A CA 1.039 53.150 52.037 0.123 0.000 0.800 354 A CB 0.561 19.699 19.000 0.230 0.000 1.045 354 A HN 1.237 nan 8.150 nan 0.000 0.489 355 T N -0.658 113.922 114.554 0.043 0.000 3.044 355 T HA 0.098 4.459 4.350 0.018 0.000 0.255 355 T C 0.659 175.372 174.700 0.022 0.000 1.073 355 T CA 0.735 62.850 62.100 0.025 0.000 1.125 355 T CB -0.367 68.509 68.868 0.014 0.000 0.908 355 T HN 0.781 nan 8.240 nan 0.000 0.480 356 Q N 1.977 121.778 119.800 0.002 0.000 2.259 356 Q HA 0.631 4.982 4.340 0.018 0.000 0.246 356 Q C 0.151 176.148 176.000 -0.004 0.000 0.920 356 Q CA -0.678 55.111 55.803 -0.023 0.000 0.895 356 Q CB 0.893 29.578 28.738 -0.088 0.000 1.220 356 Q HN 0.127 nan 8.270 nan 0.000 0.439 357 S N 0.552 116.283 115.700 0.052 0.000 2.584 357 S HA 0.220 4.700 4.470 0.018 0.000 0.270 357 S C -0.365 174.255 174.600 0.033 0.000 1.346 357 S CA -0.502 57.795 58.200 0.161 0.000 1.018 357 S CB 0.127 63.464 63.200 0.228 0.000 0.899 357 S HN 0.575 nan 8.310 nan 0.000 0.542 358 F N 1.618 121.592 119.950 0.040 0.000 2.653 358 F HA 0.456 4.993 4.527 0.017 0.000 0.304 358 F C 0.306 176.113 175.800 0.012 0.000 1.092 358 F CA -0.307 57.706 58.000 0.021 0.000 1.279 358 F CB 0.133 39.144 39.000 0.017 0.000 1.044 358 F HN 0.357 nan 8.300 nan 0.000 0.564 359 I N 3.212 123.863 120.570 0.135 0.000 2.352 359 I HA 0.176 4.357 4.170 0.018 0.000 0.290 359 I C 0.245 176.385 176.117 0.038 0.000 1.036 359 I CA -0.615 60.725 61.300 0.066 0.000 1.336 359 I CB 0.595 38.610 38.000 0.025 0.000 1.407 359 I HN -0.036 nan 8.210 nan 0.000 0.497 360 I N 4.619 125.211 120.570 0.037 0.000 2.396 360 I HA 0.530 4.711 4.170 0.018 0.000 0.292 360 I C -0.197 175.945 176.117 0.041 0.000 0.999 360 I CA -0.645 60.671 61.300 0.026 0.000 1.310 360 I CB 0.851 38.863 38.000 0.020 0.000 1.404 360 I HN 0.500 nan 8.210 nan 0.000 0.496 361 R N 5.176 125.693 120.500 0.028 0.000 2.787 361 R HA 0.616 4.967 4.340 0.018 0.000 0.271 361 R C -2.519 173.791 176.300 0.017 0.000 0.993 361 R CA -1.834 54.283 56.100 0.029 0.000 0.993 361 R CB 1.241 31.549 30.300 0.013 0.000 1.155 361 R HN 0.554 nan 8.270 nan 0.000 0.486 362 P HA 0.091 nan 4.420 nan 0.000 0.274 362 P C 0.105 177.406 177.300 0.001 0.000 1.237 362 P CA -0.316 62.789 63.100 0.008 0.000 0.793 362 P CB 0.999 32.702 31.700 0.006 0.000 0.977 363 Q N 1.247 121.047 119.800 -0.000 0.000 2.096 363 Q HA -0.163 4.188 4.340 0.018 0.000 0.204 363 Q C 0.861 176.858 176.000 -0.005 0.000 0.982 363 Q CA 1.291 57.092 55.803 -0.003 0.000 0.850 363 Q CB -0.056 28.680 28.738 -0.003 0.000 0.901 363 Q HN 0.360 nan 8.270 nan 0.000 0.422 364 K N 1.320 121.717 120.400 -0.006 0.000 2.436 364 K HA -0.078 4.253 4.320 0.018 0.000 0.282 364 K C 0.427 177.020 176.600 -0.012 0.000 1.044 364 K CA -0.130 56.151 56.287 -0.009 0.000 1.028 364 K CB 0.585 33.079 32.500 -0.010 0.000 0.919 364 K HN 0.136 nan 8.250 nan 0.000 0.474 365 E N 2.974 123.167 120.200 -0.011 0.000 2.273 365 E HA -0.164 4.197 4.350 0.018 0.000 0.198 365 E C 1.417 178.005 176.600 -0.020 0.000 1.002 365 E CA 1.372 57.764 56.400 -0.013 0.000 0.828 365 E CB 0.066 29.759 29.700 -0.010 0.000 0.747 365 E HN 0.901 nan 8.360 nan 0.000 0.491 366 G N 0.323 109.110 108.800 -0.023 0.000 2.939 366 G HA2 -0.043 3.928 3.960 0.018 0.000 0.210 366 G HA3 -0.043 3.928 3.960 0.018 0.000 0.210 366 G C 0.556 175.432 174.900 -0.039 0.000 1.160 366 G CA -0.214 44.867 45.100 -0.031 0.000 0.770 366 G HN 0.034 nan 8.290 nan 0.000 0.543 367 E N -0.526 119.654 120.200 -0.034 0.000 2.283 367 E HA 0.537 4.898 4.350 0.018 0.000 0.271 367 E C 1.096 177.667 176.600 -0.049 0.000 1.031 367 E CA -0.587 55.790 56.400 -0.038 0.000 0.868 367 E CB 1.557 31.243 29.700 -0.024 0.000 1.094 367 E HN 0.064 nan 8.360 nan 0.000 0.401 368 R N 1.493 121.950 120.500 -0.071 0.000 2.243 368 R HA 0.396 4.747 4.340 0.018 0.000 0.193 368 R C -0.169 176.103 176.300 -0.047 0.000 0.933 368 R CA 0.361 56.396 56.100 -0.108 0.000 1.105 368 R CB 0.480 30.639 30.300 -0.235 0.000 1.169 368 R HN 0.462 nan 8.270 nan 0.000 0.599 369 A N 1.550 124.355 122.820 -0.026 0.000 2.293 369 A HA 0.570 4.901 4.320 0.018 0.000 0.302 369 A C -0.553 177.060 177.584 0.049 0.000 1.119 369 A CA -0.521 51.551 52.037 0.057 0.000 0.823 369 A CB 0.712 19.743 19.000 0.052 0.000 1.097 369 A HN 0.246 nan 8.150 nan 0.000 0.491 370 L N 1.816 123.079 121.223 0.067 0.000 2.304 370 L HA 0.510 4.861 4.340 0.018 0.000 0.268 370 L C -2.017 174.873 176.870 0.033 0.000 1.010 370 L CA -2.315 52.550 54.840 0.041 0.000 0.813 370 L CB 2.149 44.232 42.059 0.041 0.000 1.315 370 L HN 0.510 nan 8.230 nan 0.000 0.445 371 P HA 0.064 nan 4.420 nan 0.000 0.275 371 P C -0.659 176.649 177.300 0.012 0.000 1.228 371 P CA -0.367 62.741 63.100 0.013 0.000 0.786 371 P CB 1.030 32.734 31.700 0.007 0.000 0.927 372 S N 2.985 118.690 115.700 0.009 0.000 2.554 372 S HA 0.033 4.514 4.470 0.018 0.000 0.290 372 S C 0.646 175.247 174.600 0.000 0.000 1.309 372 S CA -0.424 57.778 58.200 0.004 0.000 1.047 372 S CB -0.500 62.698 63.200 -0.004 0.000 0.828 372 S HN 0.304 nan 8.310 nan 0.000 0.509 373 I N 2.871 123.441 120.570 -0.001 0.000 2.648 373 I HA 0.166 4.347 4.170 0.018 0.000 0.284 373 I C -1.774 174.341 176.117 -0.005 0.000 1.153 373 I CA -1.675 59.624 61.300 -0.001 0.000 1.426 373 I CB -0.311 37.688 38.000 -0.002 0.000 1.381 373 I HN 0.507 nan 8.210 nan 0.000 0.571 374 P HA 0.081 nan 4.420 nan 0.000 0.265 374 P C -0.009 177.287 177.300 -0.007 0.000 1.187 374 P CA 0.097 63.194 63.100 -0.005 0.000 0.766 374 P CB 0.374 32.072 31.700 -0.003 0.000 0.820 395 D N 1.548 121.970 120.400 0.036 0.000 3.088 395 D HA 0.179 4.830 4.640 0.018 0.000 0.310 395 D C -0.209 176.146 176.300 0.092 0.000 1.351 395 D CA -0.374 53.662 54.000 0.060 0.000 0.921 395 D CB 0.226 41.054 40.800 0.047 0.000 1.045 395 D HN 0.591 nan 8.370 nan 0.000 0.504 396 D N -0.135 120.327 120.400 0.104 0.000 2.722 396 D HA -0.026 4.625 4.640 0.018 0.000 0.239 396 D C -0.375 176.052 176.300 0.213 0.000 1.249 396 D CA -0.546 53.530 54.000 0.126 0.000 0.830 396 D CB -0.221 40.633 40.800 0.090 0.000 1.025 396 D HN 0.167 nan 8.370 nan 0.000 0.486 397 Y N 1.279 121.600 120.300 0.035 0.000 2.534 397 Y HA 0.580 5.140 4.550 0.016 0.000 0.329 397 Y C -0.794 175.137 175.900 0.051 0.000 1.154 397 Y CA -1.833 56.285 58.100 0.031 0.000 1.192 397 Y CB 1.894 40.363 38.460 0.016 0.000 1.275 397 Y HN 0.129 nan 8.280 nan 0.000 0.491 398 A N 3.349 125.855 122.820 -0.523 0.000 2.398 398 A HA 0.673 5.004 4.320 0.018 0.000 0.301 398 A C -1.530 175.687 177.584 -0.612 0.000 1.041 398 A CA -0.763 51.045 52.037 -0.382 0.000 0.711 398 A CB 1.186 20.063 19.000 -0.205 0.000 1.240 398 A HN 0.618 nan 8.150 nan 0.000 0.420 399 E N 2.188 122.198 120.200 -0.316 0.000 2.210 399 E HA 0.253 4.614 4.350 0.018 0.000 0.266 399 E C -1.186 175.334 176.600 -0.133 0.000 0.883 399 E CA -0.589 55.667 56.400 -0.240 0.000 0.761 399 E CB 2.619 32.237 29.700 -0.137 0.000 1.156 399 E HN 0.613 nan 8.360 nan 0.000 0.412 400 I N 5.672 126.170 120.570 -0.120 0.000 2.301 400 I HA 0.222 4.403 4.170 0.018 0.000 0.292 400 I C 0.131 176.212 176.117 -0.060 0.000 1.046 400 I CA -0.283 60.970 61.300 -0.077 0.000 1.282 400 I CB -0.183 37.768 38.000 -0.081 0.000 1.409 400 I HN 0.551 nan 8.210 nan 0.000 0.484 401 I N 0.000 120.545 120.570 -0.042 0.000 2.984 401 I HA 0.000 4.181 4.170 0.018 0.000 0.288 401 I CA 0.000 61.280 61.300 -0.034 0.000 1.566 401 I CB 0.000 37.983 38.000 -0.028 0.000 1.214 401 I HN 0.000 nan 8.210 nan 0.000 0.494