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 1vz7_1_C DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTXX ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR AXXXPEGEML DATA SEQUENCE IASTGVIGRQ YPMESIREHL KTLEWXXXXX XXDRAARAIM TTDTRPKEVR DATA SEQUENCE VXXXXXTLVG IAKGVGMLEP DMATLLTFFA TDARLDPAEQ DRLFRRVMDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE MAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.773 174.700 0.122 0.000 1.109 8 T CA 0.000 62.153 62.100 0.087 0.000 1.349 8 T CB 0.000 68.915 68.868 0.078 0.000 0.612 9 P HA 0.512 nan 4.420 nan 0.000 0.251 9 P C 0.341 177.754 177.300 0.188 0.000 1.718 9 P CA -0.045 63.230 63.100 0.291 0.000 1.119 9 P CB -0.066 31.961 31.700 0.545 0.000 1.762 10 R N 2.138 122.663 120.500 0.042 0.000 2.489 10 R HA 0.243 4.586 4.340 0.006 0.000 0.287 10 R C 1.206 177.366 176.300 -0.234 0.000 0.902 10 R CA 0.740 56.807 56.100 -0.055 0.000 1.136 10 R CB -1.869 28.398 30.300 -0.055 0.000 0.872 10 R HN 0.845 nan 8.270 nan 0.000 0.421 11 G N 0.797 109.471 108.800 -0.210 0.000 2.623 11 G HA2 0.109 4.073 3.960 0.006 0.000 0.281 11 G HA3 0.109 4.073 3.960 0.006 0.000 0.281 11 G C -0.578 173.979 174.900 -0.571 0.000 1.087 11 G CA 0.076 44.969 45.100 -0.345 0.000 1.244 11 G HN 1.490 nan 8.290 nan 0.000 0.544 12 F N -0.288 119.641 119.950 -0.035 0.000 3.306 12 F HA 0.382 4.913 4.527 0.006 0.000 0.370 12 F C 0.202 175.972 175.800 -0.050 0.000 1.251 12 F CA -0.866 57.100 58.000 -0.057 0.000 1.276 12 F CB 1.000 39.974 39.000 -0.044 0.000 1.682 12 F HN 0.660 nan 8.300 nan 0.000 0.697 13 V N 1.138 121.135 119.914 0.139 0.000 2.539 13 V HA 0.933 5.056 4.120 0.006 0.000 0.292 13 V C -0.362 175.755 176.094 0.039 0.000 1.045 13 V CA -0.990 61.352 62.300 0.070 0.000 0.945 13 V CB 1.504 33.352 31.823 0.041 0.000 0.993 13 V HN 0.558 nan 8.190 nan 0.000 0.464 14 V N 1.426 121.364 119.914 0.039 0.000 2.409 14 V HA 0.640 4.763 4.120 0.006 0.000 0.291 14 V C -0.477 175.667 176.094 0.082 0.000 1.020 14 V CA -0.435 61.877 62.300 0.020 0.000 0.848 14 V CB 0.817 32.635 31.823 -0.007 0.000 0.990 14 V HN 1.142 nan 8.190 nan 0.000 0.430 15 H N 3.794 122.855 119.070 -0.016 0.000 2.476 15 H HA 0.796 5.355 4.556 0.005 0.000 0.328 15 H C -0.025 175.340 175.328 0.062 0.000 1.073 15 H CA 0.482 56.558 56.048 0.047 0.000 1.229 15 H CB 1.606 31.423 29.762 0.092 0.000 1.432 15 H HN 1.084 nan 8.280 nan 0.000 0.477 16 T N 2.405 116.703 114.554 -0.426 0.000 2.893 16 T HA 0.873 5.227 4.350 0.006 0.000 0.293 16 T C -0.851 173.642 174.700 -0.345 0.000 1.027 16 T CA -0.436 61.482 62.100 -0.304 0.000 0.988 16 T CB 1.621 70.412 68.868 -0.129 0.000 1.043 16 T HN 0.907 nan 8.240 nan 0.000 0.461 17 A N 2.926 125.628 122.820 -0.196 0.000 2.586 17 A HA 0.731 5.054 4.320 0.006 0.000 0.296 17 A C -3.324 174.164 177.584 -0.159 0.000 1.040 17 A CA -1.380 50.538 52.037 -0.197 0.000 0.701 17 A CB 1.047 19.856 19.000 -0.319 0.000 1.277 17 A HN 0.664 nan 8.150 nan 0.000 0.413 18 P HA 0.310 nan 4.420 nan 0.000 0.281 18 P C 0.676 177.864 177.300 -0.186 0.000 1.286 18 P CA 0.097 63.126 63.100 -0.117 0.000 0.772 18 P CB 1.118 32.769 31.700 -0.081 0.000 0.862 19 V N -0.115 119.716 119.914 -0.138 0.000 3.660 19 V HA 0.411 4.534 4.120 0.006 0.000 0.276 19 V C 1.319 177.363 176.094 -0.082 0.000 1.317 19 V CA 0.638 62.836 62.300 -0.171 0.000 1.097 19 V CB -0.921 30.794 31.823 -0.179 0.000 0.863 19 V HN 0.703 nan 8.190 nan 0.000 0.438 20 G N 0.906 109.681 108.800 -0.042 0.000 2.132 20 G HA2 -0.246 3.718 3.960 0.006 0.000 0.228 20 G HA3 -0.246 3.718 3.960 0.006 0.000 0.228 20 G C 0.448 175.361 174.900 0.021 0.000 1.000 20 G CA 0.506 45.598 45.100 -0.013 0.000 0.693 20 G HN 0.467 nan 8.290 nan 0.000 0.515 21 L N -0.427 120.822 121.223 0.043 0.000 2.083 21 L HA 0.255 4.599 4.340 0.006 0.000 0.209 21 L C 1.950 178.858 176.870 0.064 0.000 1.083 21 L CA 1.698 56.590 54.840 0.086 0.000 0.752 21 L CB -0.290 41.844 42.059 0.125 0.000 0.899 21 L HN 0.620 nan 8.230 nan 0.000 0.433 22 A N -0.951 121.894 122.820 0.042 0.000 2.340 22 A HA 0.306 4.630 4.320 0.006 0.000 0.331 22 A C -0.771 176.823 177.584 0.017 0.000 1.140 22 A CA -0.507 51.547 52.037 0.029 0.000 0.801 22 A CB 0.982 19.997 19.000 0.025 0.000 1.234 22 A HN 0.055 nan 8.150 nan 0.000 0.469 23 D N 1.461 121.868 120.400 0.012 0.000 2.713 23 D HA 0.289 4.933 4.640 0.006 0.000 0.229 23 D C -0.432 175.869 176.300 0.002 0.000 1.136 23 D CA 0.226 54.230 54.000 0.006 0.000 1.010 23 D CB -0.006 40.797 40.800 0.006 0.000 1.084 23 D HN 0.480 nan 8.370 nan 0.000 0.495 24 D N -0.203 120.196 120.400 -0.000 0.000 2.881 24 D HA 0.134 4.778 4.640 0.006 0.000 0.325 24 D C 1.024 177.319 176.300 -0.008 0.000 1.621 24 D CA -0.450 53.548 54.000 -0.003 0.000 0.785 24 D CB -0.490 40.310 40.800 -0.001 0.000 1.233 24 D HN 0.142 nan 8.370 nan 0.000 0.447 25 G N 1.532 110.325 108.800 -0.012 0.000 2.410 25 G HA2 -0.334 3.629 3.960 0.006 0.000 0.286 25 G HA3 -0.334 3.629 3.960 0.006 0.000 0.286 25 G C 0.215 175.102 174.900 -0.022 0.000 0.884 25 G CA 0.521 45.608 45.100 -0.021 0.000 1.130 25 G HN 0.515 nan 8.290 nan 0.000 0.492 26 R N 0.006 120.496 120.500 -0.017 0.000 2.732 26 R HA 0.332 4.675 4.340 0.006 0.000 0.278 26 R C -0.805 175.485 176.300 -0.017 0.000 0.976 26 R CA -0.941 55.150 56.100 -0.014 0.000 0.963 26 R CB 0.865 31.162 30.300 -0.005 0.000 1.150 26 R HN 0.066 nan 8.270 nan 0.000 0.478 27 D N 2.205 122.593 120.400 -0.021 0.000 2.426 27 D HA -0.000 4.643 4.640 0.006 0.000 0.261 27 D C 0.317 176.617 176.300 0.001 0.000 1.245 27 D CA 0.650 54.637 54.000 -0.022 0.000 0.917 27 D CB 0.780 41.560 40.800 -0.033 0.000 1.123 27 D HN 0.429 nan 8.370 nan 0.000 0.508 28 D N 1.325 121.741 120.400 0.026 0.000 2.461 28 D HA -0.035 4.608 4.640 0.006 0.000 0.266 28 D C 0.370 176.721 176.300 0.086 0.000 1.085 28 D CA -0.374 53.658 54.000 0.053 0.000 0.887 28 D CB -0.588 40.250 40.800 0.064 0.000 1.309 28 D HN 0.251 nan 8.370 nan 0.000 0.498 29 F N 2.700 122.612 119.950 -0.063 0.000 2.434 29 F HA 0.414 4.944 4.527 0.005 0.000 0.358 29 F C -0.493 175.277 175.800 -0.051 0.000 1.136 29 F CA 0.001 57.976 58.000 -0.042 0.000 1.157 29 F CB 0.640 39.609 39.000 -0.053 0.000 1.167 29 F HN -0.304 nan 8.300 nan 0.000 0.539 30 T N 6.147 120.478 114.554 -0.372 0.000 3.060 30 T HA 0.409 4.762 4.350 0.006 0.000 0.367 30 T C -0.272 174.204 174.700 -0.374 0.000 1.229 30 T CA -0.527 61.404 62.100 -0.281 0.000 1.104 30 T CB 0.450 69.240 68.868 -0.130 0.000 1.083 30 T HN 0.199 nan 8.240 nan 0.000 0.524 31 V N 3.681 123.384 119.914 -0.350 0.000 2.863 31 V HA 0.707 4.830 4.120 0.006 0.000 0.307 31 V C -0.289 175.705 176.094 -0.167 0.000 1.061 31 V CA -0.860 61.278 62.300 -0.270 0.000 1.024 31 V CB 1.765 33.501 31.823 -0.146 0.000 1.049 31 V HN 0.701 nan 8.190 nan 0.000 0.471 32 L N 3.057 124.146 121.223 -0.223 0.000 2.562 32 L HA 0.857 5.200 4.340 0.006 0.000 0.266 32 L C -0.558 176.138 176.870 -0.290 0.000 0.949 32 L CA 0.097 54.793 54.840 -0.239 0.000 0.879 32 L CB 1.489 43.345 42.059 -0.340 0.000 1.278 32 L HN 0.855 nan 8.230 nan 0.000 0.404 33 A N 2.768 125.487 122.820 -0.168 0.000 2.532 33 A HA 0.915 5.239 4.320 0.006 0.000 0.290 33 A C -1.248 176.350 177.584 0.023 0.000 1.143 33 A CA -0.414 51.534 52.037 -0.148 0.000 0.728 33 A CB 1.984 20.926 19.000 -0.097 0.000 1.317 33 A HN 0.655 nan 8.150 nan 0.000 0.414 34 S N -0.612 115.097 115.700 0.015 0.000 2.578 34 S HA 0.644 5.118 4.470 0.006 0.000 0.301 34 S C 0.535 175.080 174.600 -0.091 0.000 1.091 34 S CA -0.164 58.028 58.200 -0.013 0.000 1.032 34 S CB 0.871 64.045 63.200 -0.043 0.000 1.064 34 S HN 0.899 nan 8.310 nan 0.000 0.508 39 T N -0.046 114.551 114.554 0.072 0.000 2.933 39 T HA 0.394 4.748 4.350 0.006 0.000 0.306 39 T C 0.486 175.213 174.700 0.045 0.000 1.045 39 T CA 0.487 62.615 62.100 0.047 0.000 1.143 39 T CB 0.844 69.720 68.868 0.013 0.000 1.003 39 T HN 1.712 nan 8.240 nan 0.000 0.540 40 V N 1.996 121.916 119.914 0.010 0.000 3.234 40 V HA 0.860 4.983 4.120 0.006 0.000 0.317 40 V C -0.570 175.449 176.094 -0.125 0.000 1.147 40 V CA -0.588 61.659 62.300 -0.089 0.000 1.037 40 V CB 2.403 34.166 31.823 -0.101 0.000 1.148 40 V HN 1.272 nan 8.190 nan 0.000 0.455 41 S N 1.112 116.672 115.700 -0.235 0.000 2.586 41 S HA 0.782 5.255 4.470 0.006 0.000 0.296 41 S C -1.112 173.385 174.600 -0.172 0.000 1.120 41 S CA 0.056 58.154 58.200 -0.169 0.000 0.927 41 S CB 1.190 64.212 63.200 -0.296 0.000 1.114 41 S HN 1.613 nan 8.310 nan 0.000 0.453 42 A N 1.813 124.694 122.820 0.102 0.000 2.547 42 A HA 0.658 4.981 4.320 0.006 0.000 0.300 42 A C -0.549 176.754 177.584 -0.469 0.000 1.061 42 A CA -0.614 51.429 52.037 0.009 0.000 0.808 42 A CB 0.255 19.154 19.000 -0.169 0.000 1.304 42 A HN 1.620 nan 8.150 nan 0.000 0.393 43 V N -0.396 119.193 119.914 -0.543 0.000 3.134 43 V HA 1.001 5.124 4.120 0.006 0.000 0.313 43 V C -0.452 175.007 176.094 -1.059 0.000 1.069 43 V CA -0.791 61.152 62.300 -0.594 0.000 1.048 43 V CB 1.032 32.655 31.823 -0.333 0.000 1.119 43 V HN 0.842 nan 8.190 nan 0.000 0.461 44 F N -0.744 119.207 119.950 0.002 0.000 2.608 44 F HA 0.567 5.097 4.527 0.007 0.000 0.309 44 F C 0.479 176.277 175.800 -0.004 0.000 1.103 44 F CA -0.535 57.466 58.000 0.002 0.000 0.954 44 F CB 1.830 40.844 39.000 0.023 0.000 1.267 44 F HN 0.819 nan 8.300 nan 0.000 0.444 45 T N 0.762 115.413 114.554 0.161 0.000 2.854 45 T HA 0.056 4.410 4.350 0.006 0.000 0.336 45 T C 0.851 175.613 174.700 0.104 0.000 1.095 45 T CA 0.380 62.537 62.100 0.095 0.000 1.118 45 T CB 0.406 69.322 68.868 0.080 0.000 1.025 45 T HN 0.742 nan 8.240 nan 0.000 0.549 46 R N 1.792 122.334 120.500 0.071 0.000 2.613 46 R HA 0.238 4.581 4.340 0.006 0.000 0.361 46 R C 0.806 177.143 176.300 0.061 0.000 1.072 46 R CA -0.297 55.841 56.100 0.063 0.000 1.089 46 R CB 0.341 30.669 30.300 0.047 0.000 1.343 46 R HN 0.609 nan 8.270 nan 0.000 0.571 47 S N 0.525 116.270 115.700 0.074 0.000 2.549 47 S HA -0.060 4.414 4.470 0.006 0.000 0.278 47 S C 1.285 175.946 174.600 0.102 0.000 1.344 47 S CA 0.117 58.375 58.200 0.096 0.000 1.025 47 S CB 0.568 63.841 63.200 0.122 0.000 0.851 47 S HN 0.284 nan 8.310 nan 0.000 0.530 48 R N 1.700 122.284 120.500 0.141 0.000 2.310 48 R HA 0.130 4.474 4.340 0.006 0.000 0.202 48 R C -0.171 176.180 176.300 0.085 0.000 0.933 48 R CA 0.458 56.620 56.100 0.104 0.000 1.054 48 R CB -0.298 30.078 30.300 0.126 0.000 0.985 48 R HN 0.636 nan 8.270 nan 0.000 0.489 49 F N 0.234 120.187 119.950 0.005 0.000 2.881 49 F HA 0.367 4.893 4.527 -0.002 0.000 0.343 49 F C 0.408 176.210 175.800 0.004 0.000 1.233 49 F CA -0.724 57.277 58.000 0.002 0.000 1.262 49 F CB 0.475 39.476 39.000 0.001 0.000 0.980 49 F HN -0.173 nan 8.300 nan 0.000 0.506 50 A N 0.552 123.432 122.820 0.100 0.000 2.477 50 A HA 0.533 4.856 4.320 0.006 0.000 0.246 50 A C 0.886 178.491 177.584 0.034 0.000 1.078 50 A CA 0.374 52.453 52.037 0.071 0.000 0.770 50 A CB -0.164 18.864 19.000 0.046 0.000 1.011 50 A HN 0.440 nan 8.150 nan 0.000 0.494 51 G N 1.609 110.435 108.800 0.044 0.000 2.504 51 G HA2 0.506 4.470 3.960 0.006 0.000 0.288 51 G HA3 0.506 4.470 3.960 0.006 0.000 0.288 51 G C -1.002 173.897 174.900 -0.002 0.000 1.182 51 G CA -1.023 44.088 45.100 0.019 0.000 0.894 51 G HN 0.497 nan 8.290 nan 0.000 0.521 52 P HA -0.189 nan 4.420 nan 0.000 0.217 52 P C 1.816 179.108 177.300 -0.013 0.000 1.148 52 P CA 1.703 64.793 63.100 -0.017 0.000 0.834 52 P CB 0.068 31.764 31.700 -0.006 0.000 0.783 53 S N -0.096 115.612 115.700 0.013 0.000 2.392 53 S HA -0.122 4.351 4.470 0.006 0.000 0.232 53 S C 2.094 176.690 174.600 -0.007 0.000 1.041 53 S CA 1.676 59.897 58.200 0.036 0.000 1.026 53 S CB -1.200 62.043 63.200 0.071 0.000 0.845 53 S HN 0.085 nan 8.310 nan 0.000 0.465 54 V N 0.942 120.840 119.914 -0.027 0.000 2.599 54 V HA -0.029 4.094 4.120 0.006 0.000 0.245 54 V C 2.247 178.192 176.094 -0.247 0.000 1.046 54 V CA 0.811 63.055 62.300 -0.094 0.000 1.065 54 V CB -0.585 31.246 31.823 0.013 0.000 0.703 54 V HN 0.340 nan 8.190 nan 0.000 0.464 55 V N 0.116 119.941 119.914 -0.147 0.000 2.223 55 V HA -0.264 3.860 4.120 0.006 0.000 0.244 55 V C 2.365 178.346 176.094 -0.189 0.000 1.045 55 V CA 2.056 64.266 62.300 -0.150 0.000 1.000 55 V CB -0.701 31.074 31.823 -0.081 0.000 0.635 55 V HN 0.384 nan 8.190 nan 0.000 0.445 56 L N -0.230 120.915 121.223 -0.131 0.000 2.010 56 L HA -0.320 4.024 4.340 0.006 0.000 0.219 56 L C 2.743 179.516 176.870 -0.161 0.000 1.077 56 L CA 2.269 57.048 54.840 -0.102 0.000 0.773 56 L CB -0.884 41.147 42.059 -0.045 0.000 0.892 56 L HN 0.448 nan 8.230 nan 0.000 0.436 57 C N -0.789 118.357 119.300 -0.257 0.000 2.385 57 C HA -0.228 4.236 4.460 0.006 0.000 0.275 57 C C 2.860 177.577 174.990 -0.456 0.000 1.199 57 C CA 0.810 59.616 59.018 -0.352 0.000 1.782 57 C CB -1.296 26.079 27.740 -0.607 0.000 2.068 57 C HN 0.440 nan 8.230 nan 0.000 0.471 58 R N 0.885 121.000 120.500 -0.642 0.000 2.088 58 R HA -0.147 4.197 4.340 0.006 0.000 0.232 58 R C 2.203 178.448 176.300 -0.091 0.000 1.136 58 R CA 1.818 57.723 56.100 -0.326 0.000 0.926 58 R CB -0.595 29.564 30.300 -0.235 0.000 0.837 58 R HN 0.692 nan 8.270 nan 0.000 0.429 59 E N 0.709 120.857 120.200 -0.087 0.000 2.038 59 E HA -0.215 4.139 4.350 0.006 0.000 0.195 59 E C 2.124 178.719 176.600 -0.008 0.000 1.000 59 E CA 1.240 57.621 56.400 -0.031 0.000 0.803 59 E CB -0.274 29.407 29.700 -0.032 0.000 0.750 59 E HN 0.359 nan 8.360 nan 0.000 0.448 60 A N 1.814 124.625 122.820 -0.015 0.000 1.852 60 A HA -0.192 4.131 4.320 0.006 0.000 0.217 60 A C 2.170 179.782 177.584 0.046 0.000 1.215 60 A CA 1.976 54.025 52.037 0.020 0.000 0.641 60 A CB -1.290 17.726 19.000 0.027 0.000 0.838 60 A HN 0.268 nan 8.150 nan 0.000 0.450 61 V N -2.874 117.079 119.914 0.065 0.000 2.085 61 V HA 0.544 4.667 4.120 0.006 0.000 0.282 61 V C 1.031 177.179 176.094 0.090 0.000 1.787 61 V CA 0.418 62.777 62.300 0.099 0.000 1.715 61 V CB -1.260 30.665 31.823 0.169 0.000 1.501 61 V HN 0.613 nan 8.190 nan 0.000 0.506 62 A N 2.663 125.520 122.820 0.061 0.000 1.973 62 A HA 0.079 4.402 4.320 0.006 0.000 0.210 62 A C 1.756 179.369 177.584 0.049 0.000 1.200 62 A CA 0.755 52.824 52.037 0.053 0.000 0.707 62 A CB -0.106 18.916 19.000 0.036 0.000 0.862 62 A HN 0.751 nan 8.150 nan 0.000 0.461 63 D N -0.723 119.704 120.400 0.045 0.000 2.325 63 D HA 0.199 4.842 4.640 0.006 0.000 0.234 63 D C 1.078 177.404 176.300 0.043 0.000 1.122 63 D CA 0.705 54.729 54.000 0.040 0.000 0.850 63 D CB -0.567 40.254 40.800 0.034 0.000 0.921 63 D HN 0.623 nan 8.370 nan 0.000 0.513 64 G N 1.116 109.946 108.800 0.050 0.000 2.212 64 G HA2 -0.348 3.615 3.960 0.006 0.000 0.267 64 G HA3 -0.348 3.615 3.960 0.006 0.000 0.267 64 G C 0.179 175.107 174.900 0.047 0.000 1.002 64 G CA 0.607 45.734 45.100 0.044 0.000 0.729 64 G HN 0.575 nan 8.290 nan 0.000 0.517 65 Q N 0.098 119.933 119.800 0.059 0.000 2.456 65 Q HA 0.763 5.107 4.340 0.006 0.000 0.252 65 Q C 0.077 176.140 176.000 0.106 0.000 1.042 65 Q CA 0.354 56.201 55.803 0.073 0.000 0.766 65 Q CB 0.865 29.636 28.738 0.056 0.000 1.196 65 Q HN 0.952 nan 8.270 nan 0.000 0.504 66 A N 2.623 125.539 122.820 0.160 0.000 2.312 66 A HA 0.983 5.307 4.320 0.006 0.000 0.310 66 A C 0.368 178.125 177.584 0.288 0.000 1.139 66 A CA 0.166 52.361 52.037 0.264 0.000 0.886 66 A CB 1.224 20.445 19.000 0.368 0.000 1.350 66 A HN 0.840 nan 8.150 nan 0.000 0.479 67 R N -1.037 119.633 120.500 0.282 0.000 2.390 67 R HA 0.504 4.848 4.340 0.006 0.000 0.201 67 R C 0.573 176.812 176.300 -0.101 0.000 0.908 67 R CA 1.210 57.365 56.100 0.092 0.000 1.480 67 R CB -0.294 30.038 30.300 0.055 0.000 1.681 67 R HN 2.552 nan 8.270 nan 0.000 0.464 68 G N -0.630 108.122 108.800 -0.081 0.000 2.655 68 G HA2 0.556 4.519 3.960 0.006 0.000 0.296 68 G HA3 0.556 4.519 3.960 0.006 0.000 0.296 68 G C -1.819 173.036 174.900 -0.075 0.000 1.485 68 G CA 0.286 45.246 45.100 -0.233 0.000 0.869 68 G HN 1.081 nan 8.290 nan 0.000 0.540 69 V N 1.061 120.861 119.914 -0.190 0.000 2.709 69 V HA 0.813 4.936 4.120 0.006 0.000 0.308 69 V C -1.003 174.974 176.094 -0.195 0.000 1.062 69 V CA -0.882 61.359 62.300 -0.098 0.000 0.901 69 V CB 1.765 33.505 31.823 -0.139 0.000 1.003 69 V HN 1.266 nan 8.190 nan 0.000 0.425 70 V N 7.768 127.607 119.914 -0.123 0.000 2.326 70 V HA 0.629 4.753 4.120 0.006 0.000 0.281 70 V C -0.575 175.426 176.094 -0.154 0.000 1.015 70 V CA -0.047 62.133 62.300 -0.201 0.000 0.823 70 V CB 1.589 33.350 31.823 -0.104 0.000 1.009 70 V HN 0.785 nan 8.190 nan 0.000 0.436 71 V N 7.895 127.675 119.914 -0.223 0.000 2.612 71 V HA 0.604 4.728 4.120 0.006 0.000 0.301 71 V C -0.431 175.612 176.094 -0.085 0.000 1.046 71 V CA -0.546 61.716 62.300 -0.064 0.000 0.946 71 V CB 1.725 33.561 31.823 0.022 0.000 1.003 71 V HN 0.755 nan 8.190 nan 0.000 0.459 72 L N 3.805 125.065 121.223 0.061 0.000 2.438 72 L HA 0.820 5.163 4.340 0.006 0.000 0.270 72 L C -0.004 176.948 176.870 0.138 0.000 0.972 72 L CA -0.126 54.784 54.840 0.117 0.000 0.831 72 L CB 1.811 43.988 42.059 0.198 0.000 1.273 72 L HN 0.739 nan 8.230 nan 0.000 0.405 73 A N 1.909 124.797 122.820 0.113 0.000 2.311 73 A HA 0.924 5.248 4.320 0.006 0.000 0.334 73 A C 0.550 178.194 177.584 0.100 0.000 1.139 73 A CA -0.323 51.771 52.037 0.095 0.000 0.830 73 A CB 1.027 20.066 19.000 0.065 0.000 1.234 73 A HN 0.746 nan 8.150 nan 0.000 0.483 74 R N -1.035 119.513 120.500 0.080 0.000 3.728 74 R HA -0.120 4.224 4.340 0.006 0.000 0.478 74 R C -0.440 175.911 176.300 0.084 0.000 0.932 74 R CA 1.468 57.609 56.100 0.070 0.000 1.317 74 R CB -1.799 28.541 30.300 0.065 0.000 1.987 74 R HN 0.859 nan 8.270 nan 0.000 0.509 75 N N -1.122 117.646 118.700 0.113 0.000 2.600 75 N HA 0.491 5.235 4.740 0.006 0.000 0.272 75 N C -0.529 175.039 175.510 0.097 0.000 1.095 75 N CA 0.403 53.515 53.050 0.102 0.000 0.993 75 N CB 1.641 40.228 38.487 0.167 0.000 1.603 75 N HN 0.067 nan 8.380 nan 0.000 0.526 76 A N 2.913 125.754 122.820 0.034 0.000 2.308 76 A HA 0.173 4.497 4.320 0.006 0.000 0.217 76 A C 0.659 178.232 177.584 -0.019 0.000 1.216 76 A CA 0.084 52.143 52.037 0.036 0.000 0.864 76 A CB -0.492 18.530 19.000 0.037 0.000 0.902 76 A HN 0.768 nan 8.150 nan 0.000 0.499 77 N N -0.447 118.173 118.700 -0.134 0.000 2.607 77 N HA -0.152 4.592 4.740 0.006 0.000 0.285 77 N C -1.099 174.362 175.510 -0.082 0.000 1.151 77 N CA 1.005 53.918 53.050 -0.229 0.000 0.749 77 N CB -1.090 37.180 38.487 -0.362 0.000 0.923 77 N HN 0.231 nan 8.380 nan 0.000 0.552 78 V N 1.149 121.039 119.914 -0.040 0.000 2.808 78 V HA 0.774 4.898 4.120 0.006 0.000 0.308 78 V C 0.831 176.961 176.094 0.060 0.000 1.099 78 V CA -0.311 62.009 62.300 0.033 0.000 0.920 78 V CB 1.429 33.292 31.823 0.068 0.000 1.014 78 V HN 0.904 nan 8.190 nan 0.000 0.425 79 A N 3.017 125.901 122.820 0.106 0.000 2.847 79 A HA -0.185 4.138 4.320 0.006 0.000 0.263 79 A C 0.964 178.576 177.584 0.047 0.000 1.391 79 A CA 1.395 53.510 52.037 0.130 0.000 0.866 79 A CB -2.234 16.887 19.000 0.202 0.000 1.057 79 A HN 1.721 nan 8.150 nan 0.000 0.673 80 T N -1.474 113.082 114.554 0.002 0.000 3.467 80 T HA 0.502 4.855 4.350 0.006 0.000 0.232 80 T C 1.800 176.488 174.700 -0.020 0.000 0.876 80 T CA 0.865 62.948 62.100 -0.028 0.000 0.939 80 T CB -0.642 68.176 68.868 -0.083 0.000 1.165 80 T HN 2.285 nan 8.240 nan 0.000 0.615 81 G N 2.017 110.814 108.800 -0.005 0.000 2.530 81 G HA2 -0.300 3.663 3.960 0.006 0.000 0.405 81 G HA3 -0.300 3.663 3.960 0.006 0.000 0.405 81 G C 0.661 175.552 174.900 -0.015 0.000 1.363 81 G CA 0.357 45.451 45.100 -0.009 0.000 0.927 81 G HN 0.625 nan 8.290 nan 0.000 0.525 82 L N 0.138 121.354 121.223 -0.011 0.000 2.240 82 L HA 0.200 4.544 4.340 0.006 0.000 0.211 82 L C 2.504 179.372 176.870 -0.003 0.000 1.106 82 L CA 2.616 57.451 54.840 -0.009 0.000 0.793 82 L CB -0.607 41.448 42.059 -0.007 0.000 0.927 82 L HN 0.773 nan 8.230 nan 0.000 0.446 83 E N -0.466 119.733 120.200 -0.001 0.000 2.051 83 E HA -0.196 4.158 4.350 0.006 0.000 0.192 83 E C 2.040 178.643 176.600 0.005 0.000 0.991 83 E CA 1.146 57.550 56.400 0.007 0.000 0.799 83 E CB -0.379 29.325 29.700 0.007 0.000 0.748 83 E HN 0.611 nan 8.360 nan 0.000 0.449 84 G N 1.266 110.056 108.800 -0.016 0.000 2.469 84 G HA2 -0.292 3.671 3.960 0.006 0.000 0.220 84 G HA3 -0.292 3.671 3.960 0.006 0.000 0.220 84 G C 1.414 176.308 174.900 -0.011 0.000 1.136 84 G CA 0.694 45.770 45.100 -0.040 0.000 0.759 84 G HN 0.209 nan 8.290 nan 0.000 0.562 85 E N 0.799 120.996 120.200 -0.006 0.000 2.048 85 E HA -0.166 4.187 4.350 0.006 0.000 0.202 85 E C 2.472 179.085 176.600 0.023 0.000 1.021 85 E CA 1.485 57.887 56.400 0.003 0.000 0.825 85 E CB -0.298 29.400 29.700 -0.003 0.000 0.756 85 E HN 0.650 nan 8.360 nan 0.000 0.454 86 E N 0.192 120.409 120.200 0.028 0.000 2.046 86 E HA -0.073 4.280 4.350 0.006 0.000 0.190 86 E C 1.869 178.513 176.600 0.073 0.000 0.982 86 E CA 0.392 56.817 56.400 0.041 0.000 0.800 86 E CB -0.296 29.424 29.700 0.033 0.000 0.756 86 E HN 0.300 nan 8.360 nan 0.000 0.449 87 N N 0.172 118.924 118.700 0.087 0.000 2.586 87 N HA -0.147 4.596 4.740 0.006 0.000 0.191 87 N C 1.368 177.038 175.510 0.267 0.000 1.085 87 N CA 0.413 53.563 53.050 0.167 0.000 0.921 87 N CB 0.077 38.660 38.487 0.159 0.000 0.954 87 N HN 0.115 nan 8.380 nan 0.000 0.448 88 A N 0.526 123.453 122.820 0.179 0.000 1.993 88 A HA 0.124 4.447 4.320 0.006 0.000 0.207 88 A C 2.020 179.690 177.584 0.144 0.000 1.224 88 A CA 0.014 52.178 52.037 0.213 0.000 0.749 88 A CB 0.154 19.229 19.000 0.125 0.000 0.884 88 A HN 0.096 nan 8.150 nan 0.000 0.467 89 R N 0.044 120.600 120.500 0.093 0.000 2.070 89 R HA -0.160 4.183 4.340 0.006 0.000 0.232 89 R C 2.121 178.460 176.300 0.066 0.000 1.138 89 R CA 1.542 57.681 56.100 0.066 0.000 0.936 89 R CB -0.554 29.772 30.300 0.044 0.000 0.839 89 R HN 0.715 nan 8.270 nan 0.000 0.429 90 E N 0.693 120.932 120.200 0.066 0.000 2.197 90 E HA -0.230 4.123 4.350 0.006 0.000 0.205 90 E C 1.802 178.433 176.600 0.051 0.000 1.029 90 E CA 1.848 58.279 56.400 0.052 0.000 0.828 90 E CB 0.122 29.854 29.700 0.052 0.000 0.737 90 E HN 0.154 nan 8.360 nan 0.000 0.464 91 V N -0.111 119.847 119.914 0.074 0.000 2.488 91 V HA -0.157 3.966 4.120 0.006 0.000 0.246 91 V C 2.790 178.938 176.094 0.090 0.000 1.046 91 V CA 2.082 64.430 62.300 0.079 0.000 1.053 91 V CB -0.947 30.928 31.823 0.087 0.000 0.679 91 V HN 0.373 nan 8.190 nan 0.000 0.458 92 R N 0.478 121.029 120.500 0.084 0.000 2.090 92 R HA -0.078 4.266 4.340 0.006 0.000 0.228 92 R C 2.220 178.550 176.300 0.050 0.000 1.110 92 R CA 2.026 58.167 56.100 0.069 0.000 0.973 92 R CB -1.452 28.886 30.300 0.062 0.000 0.869 92 R HN 0.693 nan 8.270 nan 0.000 0.440 93 E N 0.330 120.556 120.200 0.043 0.000 2.158 93 E HA 0.340 4.694 4.350 0.006 0.000 0.191 93 E C 2.430 179.043 176.600 0.022 0.000 0.982 93 E CA 1.228 57.645 56.400 0.029 0.000 0.823 93 E CB -0.625 29.089 29.700 0.024 0.000 0.766 93 E HN 0.838 nan 8.360 nan 0.000 0.468 94 A N 0.664 123.499 122.820 0.026 0.000 1.825 94 A HA 0.006 4.330 4.320 0.006 0.000 0.214 94 A C 2.657 180.248 177.584 0.011 0.000 1.206 94 A CA 1.925 53.968 52.037 0.011 0.000 0.609 94 A CB -0.889 18.115 19.000 0.007 0.000 0.851 94 A HN 0.568 nan 8.150 nan 0.000 0.445 95 V N 0.337 120.275 119.914 0.041 0.000 2.357 95 V HA -0.381 3.743 4.120 0.006 0.000 0.257 95 V C 2.920 179.021 176.094 0.012 0.000 1.082 95 V CA 2.375 64.704 62.300 0.048 0.000 1.078 95 V CB -1.630 30.252 31.823 0.098 0.000 0.663 95 V HN 0.674 nan 8.190 nan 0.000 0.455 96 A N 0.254 123.082 122.820 0.014 0.000 1.832 96 A HA -0.189 4.134 4.320 0.006 0.000 0.214 96 A C 2.577 180.157 177.584 -0.006 0.000 1.200 96 A CA 2.741 54.781 52.037 0.005 0.000 0.610 96 A CB -0.977 18.031 19.000 0.013 0.000 0.842 96 A HN 0.541 nan 8.150 nan 0.000 0.444 97 R N -0.524 119.972 120.500 -0.006 0.000 2.294 97 R HA 0.167 4.510 4.340 0.006 0.000 0.250 97 R C 1.166 177.452 176.300 -0.024 0.000 1.181 97 R CA 2.337 58.429 56.100 -0.013 0.000 1.016 97 R CB -1.801 28.491 30.300 -0.013 0.000 0.869 97 R HN 1.380 nan 8.270 nan 0.000 0.476 103 E N -0.538 119.674 120.200 0.020 0.000 2.372 103 E HA 0.185 4.539 4.350 0.006 0.000 0.201 103 E C 1.300 177.920 176.600 0.033 0.000 0.938 103 E CA 0.689 57.104 56.400 0.025 0.000 0.944 103 E CB -0.308 29.404 29.700 0.020 0.000 0.937 103 E HN 0.591 nan 8.360 nan 0.000 0.495 104 G N -0.063 108.756 108.800 0.032 0.000 3.295 104 G HA2 0.014 3.977 3.960 0.006 0.000 0.231 104 G HA3 0.014 3.977 3.960 0.006 0.000 0.231 104 G C 0.670 175.603 174.900 0.055 0.000 1.277 104 G CA 0.734 45.857 45.100 0.038 0.000 1.013 104 G HN 0.335 nan 8.290 nan 0.000 0.509 105 E N -0.823 119.414 120.200 0.061 0.000 2.639 105 E HA 0.451 4.804 4.350 0.006 0.000 0.225 105 E C 0.583 177.243 176.600 0.100 0.000 0.921 105 E CA -0.297 56.155 56.400 0.086 0.000 1.184 105 E CB 0.120 29.858 29.700 0.064 0.000 1.160 105 E HN 0.310 nan 8.360 nan 0.000 0.547 106 M N 1.543 121.189 119.600 0.076 0.000 2.088 106 M HA 0.644 5.128 4.480 0.006 0.000 0.346 106 M C -1.320 175.033 176.300 0.088 0.000 1.111 106 M CA -1.669 53.674 55.300 0.071 0.000 1.017 106 M CB 0.699 33.326 32.600 0.045 0.000 1.568 106 M HN 0.097 nan 8.290 nan 0.000 0.445 107 L N 5.542 126.839 121.223 0.123 0.000 2.387 107 L HA 0.656 4.999 4.340 0.006 0.000 0.266 107 L C -0.645 176.284 176.870 0.098 0.000 1.059 107 L CA -0.261 54.660 54.840 0.136 0.000 0.801 107 L CB 1.716 43.917 42.059 0.237 0.000 1.223 107 L HN 0.770 nan 8.230 nan 0.000 0.456 108 I N 1.312 121.944 120.570 0.104 0.000 2.563 108 I HA 0.564 4.737 4.170 0.006 0.000 0.281 108 I C -0.503 175.697 176.117 0.139 0.000 1.110 108 I CA -0.301 61.059 61.300 0.100 0.000 1.073 108 I CB 1.005 39.061 38.000 0.094 0.000 1.215 108 I HN 0.699 nan 8.210 nan 0.000 0.460 109 A N 4.611 127.534 122.820 0.172 0.000 2.267 109 A HA 0.811 5.134 4.320 0.006 0.000 0.271 109 A C -0.091 177.604 177.584 0.185 0.000 1.131 109 A CA -0.227 51.945 52.037 0.224 0.000 0.818 109 A CB 1.022 20.229 19.000 0.346 0.000 1.118 109 A HN 0.746 nan 8.150 nan 0.000 0.501 110 S N -1.277 114.528 115.700 0.176 0.000 2.482 110 S HA 0.442 4.916 4.470 0.006 0.000 0.295 110 S C -0.981 173.695 174.600 0.127 0.000 1.038 110 S CA 0.228 58.531 58.200 0.173 0.000 0.968 110 S CB 0.581 63.894 63.200 0.188 0.000 1.182 110 S HN 1.416 nan 8.310 nan 0.000 0.441 111 T N 3.173 117.798 114.554 0.117 0.000 2.893 111 T HA 0.888 5.242 4.350 0.006 0.000 0.293 111 T C 0.360 175.104 174.700 0.072 0.000 1.027 111 T CA 0.876 63.024 62.100 0.080 0.000 0.988 111 T CB 1.071 69.978 68.868 0.064 0.000 1.043 111 T HN 1.806 nan 8.240 nan 0.000 0.461 112 G N 2.204 111.034 108.800 0.050 0.000 2.366 112 G HA2 0.171 4.134 3.960 0.006 0.000 0.190 112 G HA3 0.171 4.134 3.960 0.006 0.000 0.190 112 G C -0.900 174.013 174.900 0.022 0.000 1.299 112 G CA -0.154 44.969 45.100 0.039 0.000 1.056 112 G HN 0.949 nan 8.290 nan 0.000 0.468 113 V N 1.614 121.539 119.914 0.019 0.000 2.694 113 V HA 0.273 4.397 4.120 0.006 0.000 0.306 113 V C 1.018 177.109 176.094 -0.005 0.000 1.054 113 V CA 0.481 62.784 62.300 0.004 0.000 1.161 113 V CB 0.582 32.409 31.823 0.006 0.000 0.916 113 V HN 0.530 nan 8.190 nan 0.000 0.490 114 I N 2.952 123.516 120.570 -0.010 0.000 2.566 114 I HA 0.527 4.701 4.170 0.006 0.000 0.303 114 I C 1.359 177.470 176.117 -0.010 0.000 0.983 114 I CA 0.378 61.672 61.300 -0.009 0.000 1.235 114 I CB 1.359 39.349 38.000 -0.016 0.000 1.386 114 I HN 0.883 nan 8.210 nan 0.000 0.494 115 G N 2.999 111.798 108.800 -0.001 0.000 2.166 115 G HA2 -0.286 3.677 3.960 0.006 0.000 0.260 115 G HA3 -0.286 3.677 3.960 0.006 0.000 0.260 115 G C 0.243 175.134 174.900 -0.015 0.000 0.986 115 G CA 0.600 45.701 45.100 0.002 0.000 0.683 115 G HN 0.933 nan 8.290 nan 0.000 0.527 116 R N 0.163 120.644 120.500 -0.033 0.000 2.437 116 R HA 0.753 5.096 4.340 0.006 0.000 0.310 116 R C 0.288 176.543 176.300 -0.076 0.000 0.955 116 R CA -0.432 55.648 56.100 -0.033 0.000 0.851 116 R CB 0.621 30.912 30.300 -0.014 0.000 1.161 116 R HN 0.504 nan 8.270 nan 0.000 0.446 117 Q N 1.405 121.173 119.800 -0.054 0.000 2.354 117 Q HA 0.250 4.593 4.340 0.006 0.000 0.244 117 Q C -0.489 175.509 176.000 -0.002 0.000 0.969 117 Q CA -0.293 55.465 55.803 -0.074 0.000 0.885 117 Q CB 0.593 29.323 28.738 -0.013 0.000 1.241 117 Q HN 0.649 nan 8.270 nan 0.000 0.461 118 Y N 1.939 122.259 120.300 0.033 0.000 2.459 118 Y HA -0.042 4.514 4.550 0.009 0.000 0.349 118 Y C -0.879 175.035 175.900 0.025 0.000 1.266 118 Y CA -1.376 56.745 58.100 0.035 0.000 1.483 118 Y CB -0.422 38.064 38.460 0.044 0.000 1.362 118 Y HN 0.514 nan 8.280 nan 0.000 0.628 119 P HA -0.146 nan 4.420 nan 0.000 0.227 119 P C 0.791 178.137 177.300 0.076 0.000 1.161 119 P CA 1.177 64.338 63.100 0.101 0.000 0.788 119 P CB 0.362 32.102 31.700 0.066 0.000 0.822 120 M N -2.135 117.513 119.600 0.080 0.000 2.748 120 M HA -0.353 4.130 4.480 0.006 0.000 0.126 120 M C 1.935 178.240 176.300 0.008 0.000 0.724 120 M CA 2.705 58.031 55.300 0.043 0.000 0.478 120 M CB -2.693 29.948 32.600 0.069 0.000 1.800 120 M HN 0.219 nan 8.290 nan 0.000 0.248 121 E N 0.123 120.331 120.200 0.013 0.000 2.068 121 E HA -0.256 4.098 4.350 0.006 0.000 0.207 121 E C 2.020 178.612 176.600 -0.013 0.000 1.032 121 E CA 3.766 60.166 56.400 0.001 0.000 0.839 121 E CB -1.207 28.496 29.700 0.005 0.000 0.758 121 E HN 0.778 nan 8.360 nan 0.000 0.457 122 S N -0.177 115.511 115.700 -0.020 0.000 2.338 122 S HA -0.086 4.388 4.470 0.006 0.000 0.218 122 S C 2.222 176.786 174.600 -0.060 0.000 1.032 122 S CA 1.353 59.530 58.200 -0.038 0.000 0.999 122 S CB -0.582 62.590 63.200 -0.047 0.000 0.905 122 S HN 0.563 nan 8.310 nan 0.000 0.439 123 I N 1.395 121.912 120.570 -0.088 0.000 2.087 123 I HA -0.293 3.880 4.170 0.006 0.000 0.240 123 I C 2.799 178.851 176.117 -0.108 0.000 1.054 123 I CA 1.882 63.095 61.300 -0.144 0.000 1.311 123 I CB -0.668 37.223 38.000 -0.183 0.000 1.024 123 I HN 0.263 nan 8.210 nan 0.000 0.402 124 R N 0.635 121.095 120.500 -0.067 0.000 2.170 124 R HA -0.176 4.167 4.340 0.006 0.000 0.242 124 R C 2.310 178.580 176.300 -0.049 0.000 1.145 124 R CA 1.705 57.775 56.100 -0.049 0.000 0.984 124 R CB -0.510 29.776 30.300 -0.023 0.000 0.869 124 R HN 0.627 nan 8.270 nan 0.000 0.455 125 E N -0.180 119.996 120.200 -0.040 0.000 2.479 125 E HA -0.088 4.266 4.350 0.006 0.000 0.193 125 E C 1.213 177.809 176.600 -0.005 0.000 1.049 125 E CA 0.644 57.029 56.400 -0.025 0.000 0.870 125 E CB -0.349 29.342 29.700 -0.015 0.000 0.944 125 E HN 0.512 nan 8.360 nan 0.000 0.492 126 H N -0.716 118.260 119.070 -0.157 0.000 2.729 126 H HA 0.348 4.907 4.556 0.005 0.000 0.263 126 H C 1.818 177.034 175.328 -0.187 0.000 0.961 126 H CA 0.306 56.242 56.048 -0.186 0.000 1.217 126 H CB 0.081 29.661 29.762 -0.303 0.000 1.447 126 H HN 0.260 nan 8.280 nan 0.000 0.496 127 L N 0.608 121.674 121.223 -0.262 0.000 2.012 127 L HA -0.121 4.223 4.340 0.006 0.000 0.210 127 L C 1.961 178.698 176.870 -0.222 0.000 1.073 127 L CA 1.813 56.503 54.840 -0.250 0.000 0.748 127 L CB -0.704 41.276 42.059 -0.131 0.000 0.891 127 L HN 0.372 nan 8.230 nan 0.000 0.431 128 K N 0.010 120.317 120.400 -0.155 0.000 3.233 128 K HA 0.230 4.554 4.320 0.006 0.000 0.283 128 K C 0.727 177.248 176.600 -0.131 0.000 1.209 128 K CA 0.958 57.174 56.287 -0.117 0.000 1.197 128 K CB -0.917 31.539 32.500 -0.073 0.000 1.431 128 K HN 0.446 nan 8.250 nan 0.000 0.326 129 T N -1.058 113.375 114.554 -0.203 0.000 3.312 129 T HA 0.141 4.495 4.350 0.006 0.000 0.266 129 T C 0.386 174.945 174.700 -0.235 0.000 0.849 129 T CA -0.500 61.492 62.100 -0.180 0.000 0.897 129 T CB -0.360 68.421 68.868 -0.145 0.000 1.251 129 T HN 0.388 nan 8.240 nan 0.000 0.564 130 L N 2.854 123.850 121.223 -0.379 0.000 2.640 130 L HA 0.430 4.774 4.340 0.006 0.000 0.280 130 L C 0.623 177.335 176.870 -0.264 0.000 1.229 130 L CA 0.481 55.057 54.840 -0.441 0.000 0.919 130 L CB -0.426 41.392 42.059 -0.403 0.000 1.168 130 L HN 0.432 nan 8.230 nan 0.000 0.496 131 E N 2.497 122.553 120.200 -0.240 0.000 2.293 131 E HA 0.521 4.875 4.350 0.006 0.000 0.270 131 E C -0.094 176.446 176.600 -0.100 0.000 0.879 131 E CA -0.088 56.235 56.400 -0.128 0.000 0.756 131 E CB 0.707 30.362 29.700 -0.076 0.000 1.208 131 E HN 0.669 nan 8.360 nan 0.000 0.428 141 R N 0.889 121.383 120.500 -0.011 0.000 2.185 141 R HA 0.080 4.423 4.340 0.006 0.000 0.247 141 R C 2.507 178.794 176.300 -0.022 0.000 1.159 141 R CA 1.865 57.955 56.100 -0.016 0.000 0.988 141 R CB -0.623 29.666 30.300 -0.019 0.000 0.871 141 R HN 0.590 nan 8.270 nan 0.000 0.458 142 A N 2.262 125.067 122.820 -0.024 0.000 1.834 142 A HA -0.027 4.296 4.320 0.006 0.000 0.216 142 A C 2.564 180.145 177.584 -0.005 0.000 1.203 142 A CA 1.727 53.747 52.037 -0.029 0.000 0.621 142 A CB -1.030 17.948 19.000 -0.038 0.000 0.841 142 A HN 0.510 nan 8.150 nan 0.000 0.446 143 A N -1.241 121.579 122.820 0.001 0.000 2.225 143 A HA 0.136 4.459 4.320 0.006 0.000 0.215 143 A C 2.188 179.776 177.584 0.006 0.000 1.164 143 A CA 2.084 54.127 52.037 0.011 0.000 0.710 143 A CB -0.795 18.203 19.000 -0.005 0.000 0.780 143 A HN 0.794 nan 8.150 nan 0.000 0.473 144 R N -1.408 119.092 120.500 -0.000 0.000 2.308 144 R HA 0.600 4.944 4.340 0.006 0.000 0.202 144 R C 1.657 177.957 176.300 0.000 0.000 0.898 144 R CA 1.176 57.276 56.100 -0.001 0.000 1.046 144 R CB -0.894 29.403 30.300 -0.005 0.000 1.026 144 R HN 0.796 nan 8.270 nan 0.000 0.512 145 A N 0.535 123.353 122.820 -0.002 0.000 2.430 145 A HA 0.344 4.667 4.320 0.006 0.000 0.243 145 A C 1.693 179.285 177.584 0.013 0.000 1.254 145 A CA 0.486 52.522 52.037 -0.002 0.000 0.914 145 A CB -0.240 18.747 19.000 -0.022 0.000 0.998 145 A HN 0.620 nan 8.150 nan 0.000 0.515 146 I N -4.529 116.057 120.570 0.027 0.000 3.941 146 I HA 0.348 4.521 4.170 0.006 0.000 0.321 146 I C 0.472 176.614 176.117 0.041 0.000 1.284 146 I CA -0.203 61.128 61.300 0.051 0.000 1.226 146 I CB -0.116 37.941 38.000 0.094 0.000 1.045 146 I HN 0.014 nan 8.210 nan 0.000 0.420 147 M N 2.413 122.029 119.600 0.027 0.000 2.248 147 M HA 0.131 4.614 4.480 0.006 0.000 0.337 147 M C 1.292 177.606 176.300 0.023 0.000 1.121 147 M CA 0.768 56.080 55.300 0.021 0.000 1.155 147 M CB 1.075 33.684 32.600 0.014 0.000 1.514 147 M HN 0.406 nan 8.290 nan 0.000 0.452 148 T N -3.438 111.128 114.554 0.020 0.000 3.447 148 T HA 0.057 4.411 4.350 0.006 0.000 0.218 148 T C 1.336 176.041 174.700 0.009 0.000 0.972 148 T CA 0.548 62.659 62.100 0.019 0.000 1.264 148 T CB -0.262 68.619 68.868 0.021 0.000 1.284 148 T HN 0.718 nan 8.240 nan 0.000 0.361 149 T N 0.117 114.674 114.554 0.005 0.000 3.069 149 T HA 0.283 4.636 4.350 0.006 0.000 0.252 149 T C -0.291 174.409 174.700 0.001 0.000 1.053 149 T CA -0.347 61.751 62.100 -0.004 0.000 0.964 149 T CB -0.822 68.036 68.868 -0.018 0.000 1.005 149 T HN 0.346 nan 8.240 nan 0.000 0.532 150 D N 1.896 122.301 120.400 0.008 0.000 2.449 150 D HA 0.208 4.852 4.640 0.006 0.000 0.236 150 D C 1.064 177.370 176.300 0.010 0.000 1.149 150 D CA 0.394 54.401 54.000 0.012 0.000 0.878 150 D CB 0.911 41.719 40.800 0.014 0.000 1.198 150 D HN 0.052 nan 8.370 nan 0.000 0.446 151 T N 0.170 114.731 114.554 0.013 0.000 2.976 151 T HA 0.152 4.506 4.350 0.006 0.000 0.257 151 T C 1.134 175.840 174.700 0.010 0.000 1.051 151 T CA 0.988 63.095 62.100 0.011 0.000 1.141 151 T CB 0.121 68.999 68.868 0.015 0.000 0.881 151 T HN 0.488 nan 8.240 nan 0.000 0.461 152 R N 1.928 122.435 120.500 0.011 0.000 2.888 152 R HA 0.747 5.090 4.340 0.006 0.000 0.266 152 R C -3.086 173.219 176.300 0.007 0.000 1.020 152 R CA -2.361 53.744 56.100 0.009 0.000 0.963 152 R CB -0.394 29.911 30.300 0.009 0.000 1.197 152 R HN 0.117 nan 8.270 nan 0.000 0.481 153 P HA 0.369 nan 4.420 nan 0.000 0.277 153 P C -1.297 176.003 177.300 -0.001 0.000 1.271 153 P CA -0.361 62.740 63.100 0.002 0.000 0.795 153 P CB 0.746 32.445 31.700 -0.000 0.000 1.101 154 K N 1.238 121.635 120.400 -0.006 0.000 2.656 154 K HA 0.415 4.739 4.320 0.006 0.000 0.241 154 K C -0.341 176.242 176.600 -0.029 0.000 0.967 154 K CA -0.177 56.103 56.287 -0.013 0.000 0.946 154 K CB 2.018 34.515 32.500 -0.006 0.000 1.164 154 K HN 0.491 nan 8.250 nan 0.000 0.459 155 E N 1.187 121.368 120.200 -0.030 0.000 2.312 155 E HA 0.630 4.984 4.350 0.006 0.000 0.267 155 E C -1.345 175.229 176.600 -0.043 0.000 0.894 155 E CA -1.135 55.240 56.400 -0.043 0.000 0.773 155 E CB 3.019 32.702 29.700 -0.028 0.000 1.241 155 E HN 0.162 nan 8.360 nan 0.000 0.432 156 V N 0.227 120.107 119.914 -0.056 0.000 3.167 156 V HA 0.879 5.003 4.120 0.006 0.000 0.293 156 V C -1.798 174.281 176.094 -0.024 0.000 1.379 156 V CA -0.198 62.080 62.300 -0.037 0.000 1.019 156 V CB 2.041 33.842 31.823 -0.037 0.000 1.115 156 V HN 0.855 nan 8.190 nan 0.000 0.442 157 R N 2.913 123.415 120.500 0.003 0.000 2.604 157 R HA 0.848 5.191 4.340 0.006 0.000 0.261 157 R C -1.946 174.373 176.300 0.032 0.000 1.080 157 R CA 0.324 56.439 56.100 0.025 0.000 0.917 157 R CB 1.094 31.410 30.300 0.025 0.000 1.252 157 R HN 1.236 nan 8.270 nan 0.000 0.456 165 L N 4.211 125.558 121.223 0.206 0.000 2.409 165 L HA 0.882 5.226 4.340 0.006 0.000 0.272 165 L C -1.161 175.791 176.870 0.137 0.000 0.980 165 L CA -0.423 54.551 54.840 0.223 0.000 0.826 165 L CB 1.728 43.923 42.059 0.227 0.000 1.268 165 L HN 0.520 nan 8.230 nan 0.000 0.407 166 V N 2.896 122.869 119.914 0.098 0.000 2.850 166 V HA 0.983 5.106 4.120 0.006 0.000 0.315 166 V C 0.316 176.354 176.094 -0.094 0.000 1.064 166 V CA -0.252 62.048 62.300 -0.000 0.000 0.979 166 V CB 1.742 33.538 31.823 -0.045 0.000 1.039 166 V HN 0.943 nan 8.190 nan 0.000 0.452 167 G N 2.527 111.205 108.800 -0.203 0.000 2.684 167 G HA2 0.656 4.620 3.960 0.006 0.000 0.289 167 G HA3 0.656 4.620 3.960 0.006 0.000 0.289 167 G C -1.290 173.411 174.900 -0.332 0.000 1.416 167 G CA -0.479 44.313 45.100 -0.512 0.000 1.235 167 G HN 0.920 nan 8.290 nan 0.000 0.576 168 I N 0.507 120.900 120.570 -0.296 0.000 2.418 168 I HA 0.892 5.066 4.170 0.006 0.000 0.287 168 I C 0.054 176.086 176.117 -0.143 0.000 1.008 168 I CA -1.094 60.126 61.300 -0.133 0.000 1.104 168 I CB 2.067 40.059 38.000 -0.012 0.000 1.264 168 I HN 0.578 nan 8.210 nan 0.000 0.438 169 A N 6.049 128.820 122.820 -0.081 0.000 2.309 169 A HA 0.957 5.281 4.320 0.006 0.000 0.317 169 A C -0.648 176.918 177.584 -0.031 0.000 1.134 169 A CA -0.594 51.419 52.037 -0.039 0.000 0.866 169 A CB 1.711 20.758 19.000 0.078 0.000 1.329 169 A HN 0.824 nan 8.150 nan 0.000 0.477 170 K N -0.298 120.084 120.400 -0.029 0.000 2.622 170 K HA 0.525 4.849 4.320 0.006 0.000 0.273 170 K C -0.925 175.670 176.600 -0.008 0.000 0.957 170 K CA 0.412 56.690 56.287 -0.016 0.000 0.861 170 K CB 1.224 33.710 32.500 -0.024 0.000 1.405 170 K HN 2.613 nan 8.250 nan 0.000 0.406 171 G N 0.867 109.675 108.800 0.012 0.000 3.326 171 G HA2 0.086 4.049 3.960 0.006 0.000 0.681 171 G HA3 0.086 4.049 3.960 0.006 0.000 0.681 171 G C -0.471 174.455 174.900 0.042 0.000 1.255 171 G CA -0.245 44.868 45.100 0.022 0.000 0.976 171 G HN 1.315 nan 8.290 nan 0.000 0.563 172 V N -0.134 119.806 119.914 0.043 0.000 3.047 172 V HA 0.837 4.961 4.120 0.006 0.000 0.374 172 V C 0.725 176.866 176.094 0.078 0.000 1.399 172 V CA 0.666 63.003 62.300 0.061 0.000 1.251 172 V CB 0.417 32.270 31.823 0.050 0.000 1.228 172 V HN 2.401 nan 8.190 nan 0.000 0.589 173 G N -0.861 107.984 108.800 0.075 0.000 2.523 173 G HA2 0.486 4.449 3.960 0.006 0.000 0.291 173 G HA3 0.486 4.449 3.960 0.006 0.000 0.291 173 G C -0.303 174.642 174.900 0.074 0.000 1.450 173 G CA -0.397 44.759 45.100 0.093 0.000 0.790 173 G HN 0.979 nan 8.290 nan 0.000 0.496 174 M N -0.317 119.333 119.600 0.084 0.000 2.140 174 M HA -0.174 4.310 4.480 0.006 0.000 0.191 174 M C -1.275 175.057 176.300 0.053 0.000 0.454 174 M CA 0.616 55.950 55.300 0.057 0.000 0.403 174 M CB -0.883 31.734 32.600 0.029 0.000 1.031 174 M HN 0.751 nan 8.290 nan 0.000 0.937 175 L N 1.703 122.967 121.223 0.068 0.000 2.518 175 L HA 0.519 4.863 4.340 0.006 0.000 0.262 175 L C -0.585 176.324 176.870 0.065 0.000 0.982 175 L CA -0.109 54.769 54.840 0.062 0.000 0.873 175 L CB 1.393 43.493 42.059 0.069 0.000 1.198 175 L HN 0.427 nan 8.230 nan 0.000 0.427 176 E N 6.587 126.820 120.200 0.055 0.000 3.428 176 E HA 0.305 4.658 4.350 0.006 0.000 0.286 176 E C -2.663 173.967 176.600 0.049 0.000 1.204 176 E CA -1.562 54.871 56.400 0.055 0.000 1.015 176 E CB 0.944 30.667 29.700 0.037 0.000 1.370 176 E HN 0.319 nan 8.360 nan 0.000 0.391 177 P HA -0.031 nan 4.420 nan 0.000 0.268 177 P C -0.171 177.150 177.300 0.034 0.000 1.189 177 P CA 0.765 63.890 63.100 0.042 0.000 0.771 177 P CB 0.604 32.347 31.700 0.071 0.000 0.822 178 D N 1.156 121.562 120.400 0.011 0.000 4.082 178 D HA 0.085 4.729 4.640 0.006 0.000 0.255 178 D C -0.065 176.231 176.300 -0.007 0.000 1.427 178 D CA -0.224 53.776 54.000 0.001 0.000 0.804 178 D CB -0.782 40.020 40.800 0.003 0.000 1.364 178 D HN 0.257 nan 8.370 nan 0.000 0.809 179 M N -0.662 118.921 119.600 -0.029 0.000 2.288 179 M HA 0.794 5.277 4.480 0.006 0.000 0.334 179 M C 0.261 176.527 176.300 -0.057 0.000 1.150 179 M CA -0.523 54.754 55.300 -0.039 0.000 1.118 179 M CB 2.111 34.654 32.600 -0.095 0.000 1.501 179 M HN 0.031 nan 8.290 nan 0.000 0.462 180 A N 0.840 123.647 122.820 -0.022 0.000 2.704 180 A HA 0.333 4.656 4.320 0.006 0.000 0.260 180 A C 0.099 177.704 177.584 0.035 0.000 1.144 180 A CA -0.319 51.709 52.037 -0.016 0.000 0.985 180 A CB 0.344 19.352 19.000 0.013 0.000 1.256 180 A HN 0.785 nan 8.150 nan 0.000 0.598 181 T N 1.907 116.474 114.554 0.021 0.000 2.794 181 T HA 0.524 4.878 4.350 0.006 0.000 0.280 181 T C -0.713 173.984 174.700 -0.004 0.000 0.987 181 T CA -0.257 61.852 62.100 0.014 0.000 0.993 181 T CB 1.537 70.418 68.868 0.021 0.000 0.939 181 T HN 0.287 nan 8.240 nan 0.000 0.449 182 L N 5.247 126.452 121.223 -0.031 0.000 2.317 182 L HA 0.685 5.028 4.340 0.006 0.000 0.281 182 L C -1.521 175.250 176.870 -0.165 0.000 1.024 182 L CA -0.695 54.096 54.840 -0.082 0.000 0.810 182 L CB 0.824 42.833 42.059 -0.084 0.000 1.240 182 L HN 0.628 nan 8.230 nan 0.000 0.427 183 L N 3.975 125.064 121.223 -0.225 0.000 2.422 183 L HA 0.612 4.955 4.340 0.006 0.000 0.264 183 L C -0.587 175.956 176.870 -0.545 0.000 0.984 183 L CA -0.393 54.222 54.840 -0.375 0.000 0.819 183 L CB 2.381 44.302 42.059 -0.229 0.000 1.330 183 L HN 0.736 nan 8.230 nan 0.000 0.410 184 T N 1.690 115.709 114.554 -0.891 0.000 3.159 184 T HA 0.661 5.015 4.350 0.006 0.000 0.343 184 T C -1.877 172.338 174.700 -0.808 0.000 1.364 184 T CA -0.294 61.380 62.100 -0.710 0.000 1.102 184 T CB 0.860 69.472 68.868 -0.425 0.000 1.263 184 T HN 0.245 nan 8.240 nan 0.000 0.477 185 F N 3.355 123.293 119.950 -0.020 0.000 2.565 185 F HA 0.807 5.337 4.527 0.005 0.000 0.313 185 F C -0.882 174.863 175.800 -0.092 0.000 1.091 185 F CA -1.177 56.875 58.000 0.087 0.000 0.915 185 F CB 1.681 40.734 39.000 0.090 0.000 1.208 185 F HN 0.431 nan 8.300 nan 0.000 0.453 186 F N 1.688 121.780 119.950 0.236 0.000 2.493 186 F HA 0.751 5.281 4.527 0.005 0.000 0.329 186 F C -0.111 175.758 175.800 0.115 0.000 1.126 186 F CA -1.124 56.961 58.000 0.141 0.000 0.937 186 F CB 1.898 40.968 39.000 0.117 0.000 1.146 186 F HN 0.561 nan 8.300 nan 0.000 0.442 187 A N 2.285 125.191 122.820 0.144 0.000 2.319 187 A HA 0.743 5.067 4.320 0.006 0.000 0.310 187 A C -0.480 177.224 177.584 0.200 0.000 1.152 187 A CA -0.549 51.478 52.037 -0.017 0.000 0.783 187 A CB 1.509 20.095 19.000 -0.689 0.000 1.184 187 A HN 0.664 nan 8.150 nan 0.000 0.474 188 T N -0.065 114.730 114.554 0.401 0.000 2.907 188 T HA 0.543 4.897 4.350 0.006 0.000 0.290 188 T C 0.015 174.991 174.700 0.459 0.000 1.066 188 T CA 0.154 62.508 62.100 0.424 0.000 1.012 188 T CB 1.356 70.501 68.868 0.461 0.000 1.184 188 T HN 0.679 nan 8.240 nan 0.000 0.522 189 D N 0.342 120.904 120.400 0.269 0.000 2.479 189 D HA 0.331 4.974 4.640 0.006 0.000 0.221 189 D C 0.727 177.050 176.300 0.038 0.000 1.104 189 D CA -0.162 53.905 54.000 0.112 0.000 0.849 189 D CB -0.247 40.589 40.800 0.060 0.000 1.072 189 D HN 0.599 nan 8.370 nan 0.000 0.502 190 A N 0.740 123.585 122.820 0.042 0.000 2.524 190 A HA 0.520 4.844 4.320 0.006 0.000 0.250 190 A C 0.941 178.460 177.584 -0.109 0.000 1.078 190 A CA 0.087 52.100 52.037 -0.040 0.000 0.761 190 A CB -0.293 18.672 19.000 -0.060 0.000 1.012 190 A HN 0.450 nan 8.150 nan 0.000 0.500 191 R N 2.354 122.800 120.500 -0.090 0.000 2.489 191 R HA 0.550 4.893 4.340 0.006 0.000 0.287 191 R C -0.449 175.765 176.300 -0.142 0.000 1.053 191 R CA 0.241 56.286 56.100 -0.092 0.000 1.036 191 R CB -0.456 29.808 30.300 -0.060 0.000 0.966 191 R HN 0.780 nan 8.270 nan 0.000 0.432 192 L N 1.309 122.447 121.223 -0.142 0.000 2.354 192 L HA 0.386 4.729 4.340 0.006 0.000 0.264 192 L C -0.399 176.419 176.870 -0.085 0.000 1.008 192 L CA -1.300 53.441 54.840 -0.165 0.000 0.819 192 L CB 2.555 44.459 42.059 -0.259 0.000 1.339 192 L HN 0.797 nan 8.230 nan 0.000 0.420 193 D N 2.291 122.652 120.400 -0.064 0.000 2.401 193 D HA 0.115 4.758 4.640 0.006 0.000 0.254 193 D C -1.770 174.519 176.300 -0.018 0.000 1.192 193 D CA -1.097 52.885 54.000 -0.030 0.000 0.885 193 D CB 1.252 42.042 40.800 -0.016 0.000 1.147 193 D HN 0.199 nan 8.370 nan 0.000 0.478 194 P HA -0.076 nan 4.420 nan 0.000 0.238 194 P C -0.252 177.056 177.300 0.014 0.000 1.175 194 P CA 0.659 63.761 63.100 0.002 0.000 0.757 194 P CB 0.293 31.997 31.700 0.007 0.000 0.839 195 A N -0.866 121.963 122.820 0.015 0.000 1.989 195 A HA 0.052 4.376 4.320 0.006 0.000 0.201 195 A C 1.882 179.488 177.584 0.036 0.000 1.720 195 A CA 0.033 52.086 52.037 0.026 0.000 0.956 195 A CB -0.351 18.662 19.000 0.022 0.000 1.094 195 A HN -0.003 nan 8.150 nan 0.000 0.561 196 E N 0.352 120.570 120.200 0.029 0.000 2.267 196 E HA -0.271 4.083 4.350 0.006 0.000 0.197 196 E C 1.947 178.586 176.600 0.065 0.000 0.998 196 E CA 1.363 57.788 56.400 0.041 0.000 0.830 196 E CB -0.133 29.584 29.700 0.028 0.000 0.751 196 E HN 0.770 nan 8.360 nan 0.000 0.491 197 Q N 0.737 120.568 119.800 0.051 0.000 2.212 197 Q HA -0.136 4.208 4.340 0.006 0.000 0.199 197 Q C 0.910 176.979 176.000 0.115 0.000 0.950 197 Q CA 1.150 56.998 55.803 0.075 0.000 0.863 197 Q CB 0.307 29.048 28.738 0.005 0.000 0.944 197 Q HN 0.135 nan 8.270 nan 0.000 0.465 198 D N 0.079 120.537 120.400 0.096 0.000 2.107 198 D HA -0.074 4.569 4.640 0.006 0.000 0.204 198 D C 1.811 178.197 176.300 0.143 0.000 0.978 198 D CA 0.859 54.939 54.000 0.133 0.000 0.852 198 D CB -0.102 40.752 40.800 0.090 0.000 1.008 198 D HN 0.080 nan 8.370 nan 0.000 0.458 199 R N 0.129 120.684 120.500 0.092 0.000 2.117 199 R HA -0.164 4.180 4.340 0.006 0.000 0.243 199 R C 2.159 178.508 176.300 0.082 0.000 1.143 199 R CA 0.869 57.011 56.100 0.070 0.000 0.968 199 R CB -0.381 29.950 30.300 0.052 0.000 0.863 199 R HN 0.165 nan 8.270 nan 0.000 0.444 200 L N 0.078 121.370 121.223 0.114 0.000 2.046 200 L HA -0.150 4.193 4.340 0.006 0.000 0.208 200 L C 1.913 178.882 176.870 0.166 0.000 1.077 200 L CA 1.706 56.626 54.840 0.133 0.000 0.747 200 L CB -0.745 41.420 42.059 0.176 0.000 0.896 200 L HN 0.113 nan 8.230 nan 0.000 0.432 201 F N 0.811 120.762 119.950 0.002 0.000 2.084 201 F HA -0.129 4.401 4.527 0.005 0.000 0.296 201 F C 2.594 178.356 175.800 -0.063 0.000 1.111 201 F CA 1.728 59.699 58.000 -0.047 0.000 1.224 201 F CB -0.488 38.485 39.000 -0.043 0.000 0.991 201 F HN 0.057 nan 8.300 nan 0.000 0.471 202 R N -0.238 120.221 120.500 -0.069 0.000 2.096 202 R HA -0.131 4.213 4.340 0.006 0.000 0.235 202 R C 2.420 178.641 176.300 -0.131 0.000 1.127 202 R CA 1.396 57.388 56.100 -0.179 0.000 0.968 202 R CB -0.380 29.877 30.300 -0.072 0.000 0.861 202 R HN 0.260 nan 8.270 nan 0.000 0.440 203 R N 0.064 120.529 120.500 -0.058 0.000 2.081 203 R HA -0.095 4.248 4.340 0.006 0.000 0.235 203 R C 2.210 178.448 176.300 -0.102 0.000 1.131 203 R CA 1.343 57.414 56.100 -0.049 0.000 0.960 203 R CB -0.214 30.081 30.300 -0.007 0.000 0.856 203 R HN 0.085 nan 8.270 nan 0.000 0.436 204 V N 0.656 120.494 119.914 -0.126 0.000 2.488 204 V HA -0.201 3.923 4.120 0.006 0.000 0.246 204 V C 2.330 178.273 176.094 -0.250 0.000 1.046 204 V CA 1.160 63.336 62.300 -0.206 0.000 1.053 204 V CB -0.193 31.534 31.823 -0.159 0.000 0.679 204 V HN 0.296 nan 8.190 nan 0.000 0.458 205 M N -0.399 119.027 119.600 -0.290 0.000 2.108 205 M HA -0.183 4.300 4.480 0.006 0.000 0.261 205 M C 1.943 178.165 176.300 -0.130 0.000 1.066 205 M CA 1.762 56.896 55.300 -0.277 0.000 1.107 205 M CB -1.249 31.026 32.600 -0.542 0.000 1.356 205 M HN 0.377 nan 8.290 nan 0.000 0.406 206 D N -0.484 119.852 120.400 -0.107 0.000 2.097 206 D HA -0.103 4.541 4.640 0.006 0.000 0.197 206 D C 1.984 178.334 176.300 0.083 0.000 0.984 206 D CA 0.883 54.886 54.000 0.005 0.000 0.826 206 D CB -0.222 40.593 40.800 0.025 0.000 0.973 206 D HN 0.229 nan 8.370 nan 0.000 0.460 207 R N 0.559 121.027 120.500 -0.053 0.000 2.316 207 R HA -0.005 4.339 4.340 0.006 0.000 0.202 207 R C 1.679 177.837 176.300 -0.237 0.000 1.029 207 R CA 0.630 56.614 56.100 -0.193 0.000 1.018 207 R CB -0.232 29.850 30.300 -0.363 0.000 0.888 207 R HN 0.425 nan 8.270 nan 0.000 0.471 208 T N -3.307 111.123 114.554 -0.206 0.000 3.330 208 T HA 0.114 4.467 4.350 0.006 0.000 0.185 208 T C 1.659 176.224 174.700 -0.225 0.000 0.874 208 T CA -0.283 61.630 62.100 -0.312 0.000 1.268 208 T CB -0.647 67.895 68.868 -0.545 0.000 1.866 208 T HN -0.102 nan 8.240 nan 0.000 0.395 209 F N 3.096 123.013 119.950 -0.056 0.000 2.043 209 F HA 0.025 4.556 4.527 0.006 0.000 0.297 209 F C 2.143 177.947 175.800 0.005 0.000 1.121 209 F CA 1.786 59.767 58.000 -0.031 0.000 1.199 209 F CB -1.367 37.591 39.000 -0.070 0.000 0.968 209 F HN 0.318 nan 8.300 nan 0.000 0.478 210 N N -0.287 118.518 118.700 0.175 0.000 2.680 210 N HA 0.089 4.832 4.740 0.006 0.000 0.197 210 N C 0.929 176.534 175.510 0.158 0.000 1.288 210 N CA 0.424 53.544 53.050 0.117 0.000 0.924 210 N CB -0.121 38.401 38.487 0.059 0.000 1.025 210 N HN 0.283 nan 8.380 nan 0.000 0.447 211 A N -0.406 122.537 122.820 0.205 0.000 2.508 211 A HA 0.231 4.554 4.320 0.006 0.000 0.250 211 A C 0.194 177.936 177.584 0.264 0.000 1.208 211 A CA -0.199 52.025 52.037 0.313 0.000 0.960 211 A CB 0.693 19.903 19.000 0.350 0.000 1.099 211 A HN 0.150 nan 8.150 nan 0.000 0.542 212 V N -0.113 119.921 119.914 0.199 0.000 2.881 212 V HA 0.820 4.943 4.120 0.006 0.000 0.316 212 V C -0.622 175.553 176.094 0.135 0.000 1.070 212 V CA 0.113 62.526 62.300 0.189 0.000 0.976 212 V CB 1.991 33.905 31.823 0.153 0.000 1.038 212 V HN 0.484 nan 8.190 nan 0.000 0.446 213 S N 4.401 120.169 115.700 0.113 0.000 2.561 213 S HA 0.404 4.877 4.470 0.006 0.000 0.292 213 S C -0.028 174.605 174.600 0.055 0.000 1.107 213 S CA -0.556 57.688 58.200 0.074 0.000 0.969 213 S CB 0.926 64.156 63.200 0.050 0.000 1.150 213 S HN 0.581 nan 8.310 nan 0.000 0.451 214 I N 2.620 123.223 120.570 0.054 0.000 2.628 214 I HA 0.161 4.334 4.170 0.006 0.000 0.255 214 I C 1.070 177.170 176.117 -0.029 0.000 1.119 214 I CA 0.527 61.848 61.300 0.035 0.000 1.448 214 I CB 0.083 38.134 38.000 0.085 0.000 1.133 214 I HN 0.731 nan 8.210 nan 0.000 0.438 215 D N -1.003 119.398 120.400 0.002 0.000 2.562 215 D HA -0.012 4.631 4.640 0.006 0.000 0.246 215 D C 0.842 177.137 176.300 -0.007 0.000 1.347 215 D CA 0.859 54.833 54.000 -0.043 0.000 0.800 215 D CB -0.413 40.425 40.800 0.063 0.000 1.111 215 D HN 0.290 nan 8.370 nan 0.000 0.508 216 T N -2.904 111.653 114.554 0.005 0.000 7.366 216 T HA -0.259 4.094 4.350 0.006 0.000 0.298 216 T C -0.416 174.295 174.700 0.018 0.000 2.046 216 T CA 1.166 63.271 62.100 0.007 0.000 3.126 216 T CB -2.413 66.450 68.868 -0.009 0.000 2.130 216 T HN 0.227 nan 8.240 nan 0.000 1.215 217 D N 2.623 123.043 120.400 0.033 0.000 2.483 217 D HA 0.318 4.962 4.640 0.006 0.000 0.220 217 D C 0.155 176.474 176.300 0.031 0.000 1.173 217 D CA 0.059 54.078 54.000 0.032 0.000 0.964 217 D CB 0.952 41.779 40.800 0.046 0.000 1.046 217 D HN 0.488 nan 8.370 nan 0.000 0.517 218 T N 1.379 115.948 114.554 0.025 0.000 2.759 218 T HA 0.065 4.418 4.350 0.006 0.000 0.273 218 T C 1.103 175.820 174.700 0.029 0.000 0.938 218 T CA -0.286 61.830 62.100 0.027 0.000 1.197 218 T CB -0.179 68.704 68.868 0.025 0.000 0.887 218 T HN 0.310 nan 8.240 nan 0.000 0.540 219 S N 2.943 118.661 115.700 0.030 0.000 2.563 219 S HA 0.003 4.476 4.470 0.006 0.000 0.269 219 S C 1.398 176.027 174.600 0.047 0.000 1.364 219 S CA -0.014 58.205 58.200 0.032 0.000 1.010 219 S CB 0.329 63.546 63.200 0.029 0.000 0.877 219 S HN 0.776 nan 8.310 nan 0.000 0.549 220 T N -2.368 112.220 114.554 0.056 0.000 3.145 220 T HA 0.339 4.693 4.350 0.006 0.000 0.255 220 T C 0.542 175.291 174.700 0.082 0.000 1.039 220 T CA -0.068 62.084 62.100 0.087 0.000 0.928 220 T CB -0.245 68.693 68.868 0.117 0.000 1.029 220 T HN 0.511 nan 8.240 nan 0.000 0.554 221 S N 0.800 116.541 115.700 0.069 0.000 3.009 221 S HA 0.220 4.693 4.470 0.006 0.000 0.254 221 S C -0.199 174.446 174.600 0.075 0.000 1.004 221 S CA -0.636 57.610 58.200 0.076 0.000 1.119 221 S CB 0.318 63.558 63.200 0.067 0.000 1.075 221 S HN 0.410 nan 8.310 nan 0.000 0.618 222 D N 2.537 122.973 120.400 0.059 0.000 2.341 222 D HA 0.310 4.953 4.640 0.006 0.000 0.235 222 D C 0.151 176.486 176.300 0.058 0.000 1.265 222 D CA 1.287 55.299 54.000 0.020 0.000 0.888 222 D CB 0.614 41.414 40.800 0.001 0.000 1.192 222 D HN 0.109 nan 8.370 nan 0.000 0.462 223 T N -0.921 113.606 114.554 -0.045 0.000 3.253 223 T HA 0.518 4.871 4.350 0.006 0.000 0.398 223 T C -1.912 172.639 174.700 -0.249 0.000 1.770 223 T CA -0.593 61.488 62.100 -0.032 0.000 1.100 223 T CB 0.674 69.678 68.868 0.227 0.000 1.663 223 T HN 0.489 nan 8.240 nan 0.000 0.482 224 A N 2.544 125.189 122.820 -0.293 0.000 2.459 224 A HA 0.849 5.173 4.320 0.006 0.000 0.296 224 A C -1.443 176.164 177.584 0.038 0.000 1.039 224 A CA -0.586 51.312 52.037 -0.230 0.000 0.698 224 A CB 1.498 20.301 19.000 -0.327 0.000 1.261 224 A HN 0.790 nan 8.150 nan 0.000 0.405 225 V N 1.881 121.921 119.914 0.211 0.000 2.789 225 V HA 0.661 4.784 4.120 0.006 0.000 0.311 225 V C -1.002 175.079 176.094 -0.022 0.000 1.073 225 V CA -0.544 61.801 62.300 0.075 0.000 0.921 225 V CB 1.867 33.700 31.823 0.018 0.000 1.009 225 V HN 0.976 nan 8.190 nan 0.000 0.426 226 L N 4.306 125.213 121.223 -0.526 0.000 2.433 226 L HA 0.629 4.973 4.340 0.006 0.000 0.256 226 L C -0.996 175.725 176.870 -0.248 0.000 1.063 226 L CA 0.051 54.648 54.840 -0.405 0.000 0.922 226 L CB 0.222 41.715 42.059 -0.942 0.000 1.238 226 L HN 0.425 nan 8.230 nan 0.000 0.466 227 F N 3.586 123.550 119.950 0.023 0.000 2.495 227 F HA 0.553 5.083 4.527 0.005 0.000 0.365 227 F C 0.991 176.890 175.800 0.164 0.000 1.090 227 F CA 0.409 58.459 58.000 0.083 0.000 1.235 227 F CB 1.153 40.211 39.000 0.096 0.000 1.119 227 F HN 0.605 nan 8.300 nan 0.000 0.562 228 A N 3.575 126.585 122.820 0.317 0.000 2.768 228 A HA 0.411 4.735 4.320 0.006 0.000 0.299 228 A C -0.385 177.281 177.584 0.137 0.000 1.171 228 A CA -1.024 51.148 52.037 0.225 0.000 0.759 228 A CB -0.108 18.937 19.000 0.075 0.000 1.267 228 A HN 0.750 nan 8.150 nan 0.000 0.421 229 N N 1.145 119.926 118.700 0.134 0.000 2.327 229 N HA 0.518 5.262 4.740 0.006 0.000 0.285 229 N C 0.945 176.444 175.510 -0.019 0.000 1.299 229 N CA 0.388 53.449 53.050 0.018 0.000 0.944 229 N CB 0.276 38.712 38.487 -0.084 0.000 1.067 229 N HN 0.392 nan 8.380 nan 0.000 0.514 230 G N -2.066 106.704 108.800 -0.050 0.000 3.829 230 G HA2 0.188 4.152 3.960 0.006 0.000 0.279 230 G HA3 0.188 4.152 3.960 0.006 0.000 0.279 230 G C 0.558 175.424 174.900 -0.057 0.000 1.008 230 G CA -0.332 44.739 45.100 -0.049 0.000 0.840 230 G HN 0.371 nan 8.290 nan 0.000 0.474 231 L N 0.499 121.670 121.223 -0.086 0.000 2.740 231 L HA 0.078 4.421 4.340 0.006 0.000 0.242 231 L C 2.196 179.030 176.870 -0.059 0.000 1.175 231 L CA 0.960 55.747 54.840 -0.088 0.000 0.859 231 L CB -0.093 41.881 42.059 -0.142 0.000 0.992 231 L HN 0.325 nan 8.230 nan 0.000 0.454 232 A N -0.538 122.258 122.820 -0.040 0.000 2.456 232 A HA 0.531 4.855 4.320 0.006 0.000 0.237 232 A C 1.051 178.627 177.584 -0.014 0.000 1.217 232 A CA 0.401 52.428 52.037 -0.016 0.000 0.962 232 A CB 0.507 19.512 19.000 0.008 0.000 1.079 232 A HN 0.368 nan 8.150 nan 0.000 0.536 233 G N -0.708 108.078 108.800 -0.024 0.000 3.307 233 G HA2 0.443 4.406 3.960 0.006 0.000 0.686 233 G HA3 0.443 4.406 3.960 0.006 0.000 0.686 233 G C -0.174 174.708 174.900 -0.029 0.000 0.983 233 G CA 0.309 45.395 45.100 -0.023 0.000 0.804 233 G HN 1.614 nan 8.290 nan 0.000 0.531 234 E N -0.104 120.073 120.200 -0.037 0.000 2.739 234 E HA 0.494 4.848 4.350 0.006 0.000 0.278 234 E C 1.255 177.828 176.600 -0.045 0.000 0.978 234 E CA 1.482 57.851 56.400 -0.051 0.000 0.978 234 E CB 0.612 30.288 29.700 -0.040 0.000 0.982 234 E HN 2.385 nan 8.360 nan 0.000 0.469 235 V N -1.261 118.612 119.914 -0.070 0.000 3.114 235 V HA 0.619 4.743 4.120 0.006 0.000 0.308 235 V C -0.158 175.917 176.094 -0.033 0.000 1.168 235 V CA -0.818 61.459 62.300 -0.039 0.000 1.015 235 V CB 2.265 34.074 31.823 -0.023 0.000 1.050 235 V HN 0.808 nan 8.190 nan 0.000 0.433 236 D N 1.670 122.081 120.400 0.017 0.000 2.520 236 D HA 0.220 4.864 4.640 0.006 0.000 0.243 236 D C 1.189 177.532 176.300 0.071 0.000 1.160 236 D CA 1.028 55.052 54.000 0.040 0.000 0.877 236 D CB 1.710 42.545 40.800 0.057 0.000 1.150 236 D HN 0.986 nan 8.370 nan 0.000 0.494 237 A N 4.223 127.077 122.820 0.056 0.000 1.877 237 A HA -0.032 4.291 4.320 0.006 0.000 0.216 237 A C 2.092 179.771 177.584 0.158 0.000 1.186 237 A CA 1.848 53.943 52.037 0.096 0.000 0.620 237 A CB -1.000 18.037 19.000 0.061 0.000 0.822 237 A HN 0.676 nan 8.150 nan 0.000 0.443 238 G N -0.474 108.390 108.800 0.108 0.000 2.480 238 G HA2 -0.257 3.706 3.960 0.006 0.000 0.216 238 G HA3 -0.257 3.706 3.960 0.006 0.000 0.216 238 G C 1.411 176.377 174.900 0.111 0.000 1.200 238 G CA 0.995 46.153 45.100 0.097 0.000 0.782 238 G HN 0.635 nan 8.290 nan 0.000 0.554 239 E N -0.589 119.678 120.200 0.113 0.000 2.265 239 E HA -0.078 4.276 4.350 0.006 0.000 0.196 239 E C 1.985 178.676 176.600 0.152 0.000 0.996 239 E CA 0.271 56.734 56.400 0.105 0.000 0.832 239 E CB -0.152 29.605 29.700 0.096 0.000 0.756 239 E HN 0.457 nan 8.360 nan 0.000 0.491 240 F N 1.505 121.476 119.950 0.035 0.000 2.407 240 F HA -0.058 4.473 4.527 0.005 0.000 0.299 240 F C 2.124 177.954 175.800 0.050 0.000 1.097 240 F CA 1.050 59.077 58.000 0.045 0.000 1.422 240 F CB 0.186 39.212 39.000 0.044 0.000 1.067 240 F HN -0.088 nan 8.300 nan 0.000 0.539 241 E N 0.308 120.581 120.200 0.123 0.000 2.208 241 E HA -0.139 4.214 4.350 0.006 0.000 0.193 241 E C 2.096 178.712 176.600 0.026 0.000 0.988 241 E CA 1.316 57.753 56.400 0.063 0.000 0.828 241 E CB -0.004 29.751 29.700 0.092 0.000 0.763 241 E HN 0.539 nan 8.360 nan 0.000 0.478 242 E N -0.167 120.033 120.200 -0.001 0.000 2.400 242 E HA 0.219 4.573 4.350 0.006 0.000 0.195 242 E C 1.644 178.188 176.600 -0.093 0.000 1.012 242 E CA 0.752 57.118 56.400 -0.057 0.000 0.875 242 E CB -0.181 29.488 29.700 -0.052 0.000 0.859 242 E HN 0.395 nan 8.360 nan 0.000 0.498 243 A N 0.090 122.843 122.820 -0.112 0.000 1.878 243 A HA 0.293 4.616 4.320 0.006 0.000 0.213 243 A C 2.288 179.741 177.584 -0.218 0.000 1.192 243 A CA 1.292 53.238 52.037 -0.151 0.000 0.619 243 A CB -0.256 18.651 19.000 -0.155 0.000 0.837 243 A HN 0.464 nan 8.150 nan 0.000 0.446 244 L N -0.291 120.700 121.223 -0.387 0.000 2.027 244 L HA -0.131 4.212 4.340 0.006 0.000 0.206 244 L C 2.321 179.116 176.870 -0.125 0.000 1.074 244 L CA 2.737 57.366 54.840 -0.352 0.000 0.745 244 L CB -1.033 40.742 42.059 -0.474 0.000 0.898 244 L HN 0.672 nan 8.230 nan 0.000 0.433 245 H N -1.781 117.175 119.070 -0.190 0.000 2.352 245 H HA -0.181 4.379 4.556 0.006 0.000 0.299 245 H C 1.745 176.998 175.328 -0.124 0.000 1.097 245 H CA 1.714 57.672 56.048 -0.150 0.000 1.311 245 H CB 0.242 29.935 29.762 -0.115 0.000 1.377 245 H HN 0.361 nan 8.280 nan 0.000 0.504 246 T N 0.129 114.687 114.554 0.007 0.000 2.867 246 T HA -0.052 4.301 4.350 0.006 0.000 0.268 246 T C 2.082 176.792 174.700 0.017 0.000 1.057 246 T CA 0.842 62.917 62.100 -0.042 0.000 1.136 246 T CB -0.333 68.483 68.868 -0.086 0.000 0.874 246 T HN 0.548 nan 8.240 nan 0.000 0.466 247 A N 1.383 124.242 122.820 0.064 0.000 1.854 247 A HA 0.275 4.598 4.320 0.006 0.000 0.214 247 A C 2.624 180.391 177.584 0.305 0.000 1.192 247 A CA 1.615 53.769 52.037 0.194 0.000 0.611 247 A CB -1.133 18.067 19.000 0.334 0.000 0.832 247 A HN 0.472 nan 8.150 nan 0.000 0.442 248 A N -0.646 122.337 122.820 0.273 0.000 1.933 248 A HA -0.026 4.297 4.320 0.006 0.000 0.218 248 A C 2.079 179.550 177.584 -0.188 0.000 1.175 248 A CA 1.738 53.854 52.037 0.132 0.000 0.628 248 A CB -0.562 18.304 19.000 -0.222 0.000 0.814 248 A HN 0.702 nan 8.150 nan 0.000 0.444 249 L N -0.563 120.579 121.223 -0.135 0.000 2.291 249 L HA 0.083 4.427 4.340 0.006 0.000 0.214 249 L C 2.457 179.203 176.870 -0.206 0.000 1.120 249 L CA 1.633 56.348 54.840 -0.208 0.000 0.799 249 L CB -0.802 41.235 42.059 -0.036 0.000 0.925 249 L HN 0.336 nan 8.230 nan 0.000 0.446 250 A N -0.242 122.516 122.820 -0.103 0.000 1.841 250 A HA -0.125 4.199 4.320 0.006 0.000 0.214 250 A C 2.194 179.715 177.584 -0.105 0.000 1.195 250 A CA 1.774 53.759 52.037 -0.087 0.000 0.611 250 A CB -0.882 18.096 19.000 -0.036 0.000 0.835 250 A HN 0.427 nan 8.150 nan 0.000 0.443 251 L N -0.298 120.884 121.223 -0.069 0.000 2.043 251 L HA -0.212 4.132 4.340 0.006 0.000 0.212 251 L C 2.541 179.360 176.870 -0.085 0.000 1.075 251 L CA 1.261 56.078 54.840 -0.037 0.000 0.752 251 L CB -0.830 41.266 42.059 0.061 0.000 0.891 251 L HN 0.248 nan 8.230 nan 0.000 0.432 252 V N 0.087 119.850 119.914 -0.250 0.000 2.282 252 V HA -0.327 3.797 4.120 0.006 0.000 0.249 252 V C 2.487 178.442 176.094 -0.232 0.000 1.057 252 V CA 1.902 64.025 62.300 -0.295 0.000 1.032 252 V CB -0.510 30.996 31.823 -0.530 0.000 0.645 252 V HN 0.441 nan 8.190 nan 0.000 0.447 253 K N -0.418 119.797 120.400 -0.308 0.000 2.280 253 K HA -0.186 4.138 4.320 0.006 0.000 0.202 253 K C 1.521 178.076 176.600 -0.075 0.000 1.047 253 K CA 1.526 57.691 56.287 -0.204 0.000 0.942 253 K CB -0.235 32.148 32.500 -0.194 0.000 0.739 253 K HN 0.512 nan 8.250 nan 0.000 0.457 254 D N 0.287 120.649 120.400 -0.063 0.000 2.347 254 D HA 0.030 4.674 4.640 0.006 0.000 0.213 254 D C 1.456 177.761 176.300 0.007 0.000 0.985 254 D CA 0.579 54.567 54.000 -0.019 0.000 0.879 254 D CB 0.236 41.027 40.800 -0.016 0.000 0.919 254 D HN 0.140 nan 8.370 nan 0.000 0.526 255 I N -0.019 120.559 120.570 0.012 0.000 2.731 255 I HA 0.021 4.195 4.170 0.006 0.000 0.260 255 I C 2.204 178.352 176.117 0.051 0.000 1.138 255 I CA 0.260 61.587 61.300 0.045 0.000 1.461 255 I CB 0.086 38.133 38.000 0.079 0.000 1.128 255 I HN -0.049 nan 8.210 nan 0.000 0.438 256 A N 0.093 122.941 122.820 0.045 0.000 1.854 256 A HA -0.194 4.129 4.320 0.006 0.000 0.214 256 A C 2.449 180.070 177.584 0.060 0.000 1.192 256 A CA 1.954 54.033 52.037 0.070 0.000 0.611 256 A CB -0.871 18.192 19.000 0.105 0.000 0.832 256 A HN 0.334 nan 8.150 nan 0.000 0.442 257 S N -0.131 115.596 115.700 0.046 0.000 2.365 257 S HA -0.247 4.226 4.470 0.006 0.000 0.225 257 S C 1.329 175.954 174.600 0.042 0.000 1.039 257 S CA 2.054 60.279 58.200 0.041 0.000 1.033 257 S CB -0.435 62.781 63.200 0.027 0.000 0.887 257 S HN 0.565 nan 8.310 nan 0.000 0.447 258 D N 0.738 121.161 120.400 0.038 0.000 2.561 258 D HA 0.326 4.970 4.640 0.006 0.000 0.232 258 D C 0.585 176.915 176.300 0.050 0.000 1.198 258 D CA 0.234 54.257 54.000 0.039 0.000 0.826 258 D CB -0.264 40.553 40.800 0.029 0.000 0.992 258 D HN 0.444 nan 8.370 nan 0.000 0.490 259 G N 0.109 108.946 108.800 0.062 0.000 2.699 259 G HA2 0.017 3.980 3.960 0.006 0.000 0.246 259 G HA3 0.017 3.980 3.960 0.006 0.000 0.246 259 G C 0.027 174.984 174.900 0.096 0.000 1.219 259 G CA -0.548 44.601 45.100 0.082 0.000 0.866 259 G HN 0.226 nan 8.290 nan 0.000 0.572 260 E N -0.010 120.275 120.200 0.142 0.000 2.757 260 E HA 0.262 4.615 4.350 0.006 0.000 0.238 260 E C 1.599 178.292 176.600 0.154 0.000 1.057 260 E CA 1.381 57.868 56.400 0.145 0.000 0.952 260 E CB -0.513 29.327 29.700 0.233 0.000 0.934 260 E HN 1.048 nan 8.360 nan 0.000 0.518 261 G N 3.080 111.924 108.800 0.074 0.000 2.219 261 G HA2 -0.369 3.594 3.960 0.006 0.000 0.271 261 G HA3 -0.369 3.594 3.960 0.006 0.000 0.271 261 G C 0.713 175.652 174.900 0.066 0.000 0.991 261 G CA 0.613 45.750 45.100 0.061 0.000 0.685 261 G HN 0.882 nan 8.290 nan 0.000 0.531 262 A N -1.126 121.740 122.820 0.077 0.000 2.377 262 A HA 0.754 5.077 4.320 0.006 0.000 0.274 262 A C 1.507 179.132 177.584 0.069 0.000 1.178 262 A CA 1.760 53.834 52.037 0.062 0.000 0.836 262 A CB 0.129 19.166 19.000 0.062 0.000 1.111 262 A HN 1.876 nan 8.150 nan 0.000 0.517 263 A N -1.060 121.811 122.820 0.085 0.000 1.749 263 A HA 0.375 4.699 4.320 0.006 0.000 0.187 263 A C 0.601 178.225 177.584 0.068 0.000 1.742 263 A CA 0.230 52.321 52.037 0.089 0.000 1.133 263 A CB -0.100 18.985 19.000 0.141 0.000 0.996 263 A HN 0.642 nan 8.150 nan 0.000 0.585 264 K N 0.619 121.064 120.400 0.075 0.000 2.218 264 K HA 0.534 4.857 4.320 0.006 0.000 0.276 264 K C -0.896 175.733 176.600 0.049 0.000 1.022 264 K CA -0.185 56.129 56.287 0.045 0.000 0.946 264 K CB 1.717 34.236 32.500 0.031 0.000 1.000 264 K HN 0.425 nan 8.250 nan 0.000 0.468 265 L N 4.409 125.658 121.223 0.045 0.000 2.289 265 L HA 0.414 4.757 4.340 0.006 0.000 0.285 265 L C -0.975 175.933 176.870 0.062 0.000 1.049 265 L CA -0.599 54.280 54.840 0.066 0.000 0.804 265 L CB 0.583 42.689 42.059 0.078 0.000 1.195 265 L HN 0.577 nan 8.230 nan 0.000 0.428 266 I N 5.164 125.775 120.570 0.070 0.000 2.355 266 I HA 0.314 4.488 4.170 0.006 0.000 0.288 266 I C -0.311 175.821 176.117 0.025 0.000 0.999 266 I CA -0.322 61.006 61.300 0.047 0.000 1.163 266 I CB 1.719 39.742 38.000 0.037 0.000 1.316 266 I HN 0.626 nan 8.210 nan 0.000 0.454 267 E N 5.897 126.090 120.200 -0.012 0.000 2.183 267 E HA 0.543 4.897 4.350 0.006 0.000 0.271 267 E C -1.560 174.947 176.600 -0.154 0.000 0.919 267 E CA -0.663 55.634 56.400 -0.171 0.000 0.781 267 E CB 2.240 31.862 29.700 -0.129 0.000 1.140 267 E HN 0.298 nan 8.360 nan 0.000 0.402 268 V N 4.774 124.551 119.914 -0.228 0.000 2.384 268 V HA 0.192 4.315 4.120 0.006 0.000 0.287 268 V C -0.547 175.459 176.094 -0.147 0.000 1.020 268 V CA -0.558 61.659 62.300 -0.140 0.000 0.850 268 V CB 1.561 33.329 31.823 -0.092 0.000 0.987 268 V HN 0.721 nan 8.190 nan 0.000 0.436 269 Q N 4.018 123.756 119.800 -0.102 0.000 2.563 269 Q HA 0.403 4.747 4.340 0.006 0.000 0.232 269 Q C -0.838 175.133 176.000 -0.048 0.000 1.106 269 Q CA -0.355 55.398 55.803 -0.082 0.000 0.913 269 Q CB 1.816 30.514 28.738 -0.067 0.000 1.175 269 Q HN 0.578 nan 8.270 nan 0.000 0.540 270 V N 2.591 122.493 119.914 -0.020 0.000 2.461 270 V HA 0.337 4.460 4.120 0.006 0.000 0.275 270 V C 0.426 176.528 176.094 0.014 0.000 1.047 270 V CA -0.113 62.189 62.300 0.004 0.000 0.955 270 V CB 1.147 32.989 31.823 0.031 0.000 0.988 270 V HN 0.725 nan 8.190 nan 0.000 0.471 271 T N 1.131 115.688 114.554 0.004 0.000 2.916 271 T HA 0.698 5.051 4.350 0.006 0.000 0.298 271 T C 0.473 175.177 174.700 0.006 0.000 1.031 271 T CA 0.186 62.290 62.100 0.006 0.000 0.993 271 T CB 1.822 70.686 68.868 -0.005 0.000 1.045 271 T HN 1.500 nan 8.240 nan 0.000 0.454 272 G N 1.199 110.005 108.800 0.010 0.000 2.211 272 G HA2 0.180 4.143 3.960 0.006 0.000 0.201 272 G HA3 0.180 4.143 3.960 0.006 0.000 0.201 272 G C 0.529 175.435 174.900 0.009 0.000 0.997 272 G CA -0.078 45.026 45.100 0.007 0.000 0.652 272 G HN 1.562 nan 8.290 nan 0.000 0.500 273 A N 0.697 123.525 122.820 0.013 0.000 2.475 273 A HA 0.540 4.864 4.320 0.006 0.000 0.239 273 A C 1.697 179.285 177.584 0.007 0.000 1.087 273 A CA 1.295 53.337 52.037 0.009 0.000 0.779 273 A CB 0.054 19.060 19.000 0.010 0.000 1.036 273 A HN 1.205 nan 8.150 nan 0.000 0.506 274 R N 0.201 120.702 120.500 0.002 0.000 2.081 274 R HA -0.046 4.298 4.340 0.006 0.000 0.235 274 R C -0.162 176.140 176.300 0.004 0.000 1.131 274 R CA 1.487 57.588 56.100 0.002 0.000 0.960 274 R CB -0.399 29.900 30.300 -0.002 0.000 0.856 274 R HN 0.803 nan 8.270 nan 0.000 0.436 275 D N -1.237 119.164 120.400 0.002 0.000 2.570 275 D HA 0.101 4.745 4.640 0.006 0.000 0.244 275 D C -0.468 175.838 176.300 0.010 0.000 1.178 275 D CA -0.851 53.153 54.000 0.006 0.000 0.881 275 D CB 0.949 41.748 40.800 -0.001 0.000 1.453 275 D HN -0.218 nan 8.370 nan 0.000 0.447 276 D N 0.471 120.887 120.400 0.027 0.000 2.190 276 D HA -0.144 4.500 4.640 0.006 0.000 0.200 276 D C 1.956 178.244 176.300 -0.020 0.000 0.992 276 D CA 2.029 56.062 54.000 0.056 0.000 0.854 276 D CB -0.415 40.452 40.800 0.112 0.000 0.936 276 D HN 0.580 nan 8.370 nan 0.000 0.462 277 A N 1.018 123.808 122.820 -0.050 0.000 1.896 277 A HA -0.334 3.989 4.320 0.006 0.000 0.220 277 A C 2.164 179.675 177.584 -0.122 0.000 1.206 277 A CA 2.406 54.380 52.037 -0.106 0.000 0.647 277 A CB -0.963 17.996 19.000 -0.068 0.000 0.828 277 A HN 0.342 nan 8.150 nan 0.000 0.455 278 Q N -0.822 118.937 119.800 -0.069 0.000 2.124 278 Q HA -0.083 4.260 4.340 0.006 0.000 0.202 278 Q C 2.188 178.155 176.000 -0.055 0.000 0.977 278 Q CA 1.521 57.290 55.803 -0.056 0.000 0.850 278 Q CB -0.375 28.345 28.738 -0.029 0.000 0.901 278 Q HN 0.630 nan 8.270 nan 0.000 0.429 279 A N 1.682 124.485 122.820 -0.027 0.000 1.849 279 A HA -0.284 4.040 4.320 0.006 0.000 0.217 279 A C 2.065 179.636 177.584 -0.022 0.000 1.202 279 A CA 1.973 54.026 52.037 0.026 0.000 0.629 279 A CB -0.812 18.265 19.000 0.129 0.000 0.834 279 A HN 0.442 nan 8.150 nan 0.000 0.447 280 K N -0.488 119.776 120.400 -0.226 0.000 2.074 280 K HA -0.255 4.068 4.320 0.006 0.000 0.209 280 K C 2.333 178.778 176.600 -0.257 0.000 1.048 280 K CA 1.929 57.890 56.287 -0.543 0.000 0.926 280 K CB -0.201 31.498 32.500 -1.335 0.000 0.713 280 K HN 0.466 nan 8.250 nan 0.000 0.444 281 R N 0.168 120.547 120.500 -0.202 0.000 2.073 281 R HA -0.114 4.230 4.340 0.006 0.000 0.234 281 R C 1.963 178.218 176.300 -0.074 0.000 1.134 281 R CA 1.742 57.768 56.100 -0.123 0.000 0.952 281 R CB -0.238 30.001 30.300 -0.102 0.000 0.850 281 R HN 0.076 nan 8.270 nan 0.000 0.433 282 V N 0.534 120.415 119.914 -0.055 0.000 2.453 282 V HA -0.056 4.067 4.120 0.006 0.000 0.247 282 V C 2.374 178.452 176.094 -0.026 0.000 1.048 282 V CA 1.819 64.099 62.300 -0.032 0.000 1.049 282 V CB -0.805 31.007 31.823 -0.019 0.000 0.672 282 V HN 0.683 nan 8.190 nan 0.000 0.457 283 G N 0.252 109.041 108.800 -0.017 0.000 2.480 283 G HA2 -0.246 3.718 3.960 0.006 0.000 0.216 283 G HA3 -0.246 3.718 3.960 0.006 0.000 0.216 283 G C 1.651 176.543 174.900 -0.012 0.000 1.200 283 G CA 0.807 45.907 45.100 0.001 0.000 0.782 283 G HN 0.369 nan 8.290 nan 0.000 0.554 284 K N 0.156 120.544 120.400 -0.021 0.000 2.063 284 K HA -0.094 4.229 4.320 0.006 0.000 0.208 284 K C 2.728 179.313 176.600 -0.025 0.000 1.048 284 K CA 1.632 57.907 56.287 -0.020 0.000 0.928 284 K CB -1.046 31.433 32.500 -0.035 0.000 0.713 284 K HN 0.292 nan 8.250 nan 0.000 0.442 285 T N 1.712 116.247 114.554 -0.031 0.000 2.699 285 T HA -0.130 4.224 4.350 0.006 0.000 0.268 285 T C 2.142 176.826 174.700 -0.026 0.000 1.036 285 T CA 1.647 63.729 62.100 -0.029 0.000 1.147 285 T CB -0.292 68.558 68.868 -0.030 0.000 0.862 285 T HN -0.041 nan 8.240 nan 0.000 0.446 286 V N 0.575 120.474 119.914 -0.025 0.000 2.270 286 V HA -0.088 4.035 4.120 0.006 0.000 0.245 286 V C 2.557 178.640 176.094 -0.018 0.000 1.043 286 V CA 1.174 63.461 62.300 -0.023 0.000 1.014 286 V CB -0.840 30.967 31.823 -0.027 0.000 0.645 286 V HN 0.297 nan 8.190 nan 0.000 0.447 287 V N 0.898 120.801 119.914 -0.018 0.000 2.490 287 V HA -0.208 3.915 4.120 0.006 0.000 0.250 287 V C 2.129 178.213 176.094 -0.017 0.000 1.061 287 V CA 2.140 64.432 62.300 -0.013 0.000 1.064 287 V CB -0.603 31.214 31.823 -0.009 0.000 0.670 287 V HN 0.611 nan 8.190 nan 0.000 0.461 288 N N -0.137 118.549 118.700 -0.022 0.000 2.422 288 N HA 0.020 4.763 4.740 0.006 0.000 0.181 288 N C 0.987 176.473 175.510 -0.041 0.000 1.080 288 N CA 0.625 53.656 53.050 -0.033 0.000 0.893 288 N CB 0.015 38.484 38.487 -0.029 0.000 0.973 288 N HN 0.418 nan 8.380 nan 0.000 0.456 289 S N 2.311 117.992 115.700 -0.033 0.000 2.555 289 S HA 0.067 4.541 4.470 0.006 0.000 0.293 289 S C -1.429 173.148 174.600 -0.038 0.000 1.248 289 S CA -1.208 56.972 58.200 -0.033 0.000 1.096 289 S CB 0.927 64.111 63.200 -0.027 0.000 0.881 289 S HN -0.008 nan 8.310 nan 0.000 0.498 290 P HA -0.145 nan 4.420 nan 0.000 0.215 290 P C 1.436 178.713 177.300 -0.038 0.000 1.157 290 P CA 1.237 64.305 63.100 -0.054 0.000 0.874 290 P CB 0.037 31.706 31.700 -0.052 0.000 0.790 291 L N -1.535 119.669 121.223 -0.031 0.000 2.131 291 L HA -0.149 4.195 4.340 0.006 0.000 0.210 291 L C 2.377 179.240 176.870 -0.012 0.000 1.092 291 L CA 1.196 56.021 54.840 -0.025 0.000 0.759 291 L CB -0.831 41.208 42.059 -0.034 0.000 0.903 291 L HN -0.099 nan 8.230 nan 0.000 0.435 292 V N -0.262 119.647 119.914 -0.008 0.000 2.346 292 V HA -0.228 3.895 4.120 0.006 0.000 0.244 292 V C 2.366 178.475 176.094 0.025 0.000 1.037 292 V CA 1.580 63.890 62.300 0.017 0.000 1.029 292 V CB -0.316 31.516 31.823 0.015 0.000 0.663 292 V HN 0.397 nan 8.190 nan 0.000 0.454 293 K N 0.411 120.812 120.400 0.002 0.000 2.152 293 K HA -0.181 4.142 4.320 0.006 0.000 0.206 293 K C 2.112 178.725 176.600 0.022 0.000 1.048 293 K CA 1.961 58.247 56.287 -0.002 0.000 0.933 293 K CB -0.429 32.042 32.500 -0.048 0.000 0.721 293 K HN 0.741 nan 8.250 nan 0.000 0.447 294 T N -1.064 113.501 114.554 0.019 0.000 2.809 294 T HA 0.046 4.399 4.350 0.006 0.000 0.260 294 T C 2.225 176.976 174.700 0.085 0.000 1.039 294 T CA 0.716 62.850 62.100 0.057 0.000 1.141 294 T CB -0.328 68.556 68.868 0.026 0.000 0.869 294 T HN 0.136 nan 8.240 nan 0.000 0.437 295 A N 1.503 124.348 122.820 0.042 0.000 1.917 295 A HA -0.027 4.296 4.320 0.006 0.000 0.219 295 A C 2.630 180.228 177.584 0.022 0.000 1.182 295 A CA 1.938 53.989 52.037 0.022 0.000 0.633 295 A CB -1.346 17.664 19.000 0.016 0.000 0.819 295 A HN 0.422 nan 8.150 nan 0.000 0.448 296 V N -0.425 119.519 119.914 0.051 0.000 2.392 296 V HA -0.284 3.839 4.120 0.006 0.000 0.249 296 V C 2.454 178.571 176.094 0.038 0.000 1.059 296 V CA 2.484 64.810 62.300 0.044 0.000 1.051 296 V CB -1.084 30.780 31.823 0.069 0.000 0.658 296 V HN 0.870 nan 8.190 nan 0.000 0.455 297 H N 0.880 119.941 119.070 -0.015 0.000 2.462 297 H HA 0.019 4.579 4.556 0.006 0.000 0.292 297 H C 2.008 177.325 175.328 -0.019 0.000 1.049 297 H CA 1.454 57.493 56.048 -0.015 0.000 1.334 297 H CB -0.232 29.523 29.762 -0.011 0.000 1.404 297 H HN 0.378 nan 8.280 nan 0.000 0.544 298 G N -1.738 106.991 108.800 -0.118 0.000 3.141 298 G HA2 0.047 4.011 3.960 0.006 0.000 0.218 298 G HA3 0.047 4.011 3.960 0.006 0.000 0.218 298 G C 0.414 175.234 174.900 -0.134 0.000 1.170 298 G CA 0.315 45.320 45.100 -0.159 0.000 0.769 298 G HN 0.543 nan 8.290 nan 0.000 0.546 299 C N 0.346 119.570 119.300 -0.127 0.000 4.397 299 C HA -0.135 4.328 4.460 0.006 0.000 0.291 299 C C 0.277 175.198 174.990 -0.116 0.000 1.408 299 C CA 0.264 59.212 59.018 -0.116 0.000 1.971 299 C CB -2.364 25.310 27.740 -0.111 0.000 1.258 299 C HN 0.688 nan 8.230 nan 0.000 0.795 300 D N 0.638 120.976 120.400 -0.104 0.000 2.344 300 D HA 0.429 5.072 4.640 0.006 0.000 0.239 300 D C -0.956 175.254 176.300 -0.149 0.000 1.064 300 D CA -2.112 51.825 54.000 -0.105 0.000 0.829 300 D CB 1.430 42.192 40.800 -0.063 0.000 1.129 300 D HN 0.200 nan 8.370 nan 0.000 0.506 301 P HA -0.001 nan 4.420 nan 0.000 0.255 301 P C 0.032 177.348 177.300 0.026 0.000 1.357 301 P CA -0.366 62.388 63.100 -0.577 0.000 0.839 301 P CB -0.134 31.027 31.700 -0.898 0.000 1.356 302 N N 2.136 120.862 118.700 0.043 0.000 2.111 302 N HA -0.149 4.594 4.740 0.006 0.000 0.281 302 N C 1.151 176.737 175.510 0.128 0.000 1.384 302 N CA 0.326 53.388 53.050 0.019 0.000 0.994 302 N CB -0.056 38.404 38.487 -0.046 0.000 1.411 302 N HN 0.392 nan 8.380 nan 0.000 0.485 303 W N 2.858 124.267 121.300 0.181 0.000 2.584 303 W HA 0.145 4.809 4.660 0.006 0.000 0.264 303 W C 1.335 177.851 176.519 -0.005 0.000 1.264 303 W CA 0.421 57.855 57.345 0.149 0.000 1.306 303 W CB -1.104 28.463 29.460 0.178 0.000 1.110 303 W HN 0.376 nan 8.180 nan 0.000 0.606 304 G N 1.703 110.008 108.800 -0.826 0.000 2.432 304 G HA2 -0.255 3.709 3.960 0.006 0.000 0.219 304 G HA3 -0.255 3.709 3.960 0.006 0.000 0.219 304 G C 1.832 176.539 174.900 -0.322 0.000 1.135 304 G CA 0.928 45.559 45.100 -0.781 0.000 0.767 304 G HN 0.223 nan 8.290 nan 0.000 0.550 305 R N -0.516 119.859 120.500 -0.207 0.000 2.062 305 R HA 0.095 4.438 4.340 0.006 0.000 0.226 305 R C 2.721 178.988 176.300 -0.054 0.000 1.125 305 R CA 0.784 56.820 56.100 -0.106 0.000 0.966 305 R CB -0.600 29.660 30.300 -0.066 0.000 0.861 305 R HN 0.209 nan 8.270 nan 0.000 0.433 306 V N 1.281 121.194 119.914 -0.002 0.000 2.317 306 V HA -0.333 3.790 4.120 0.006 0.000 0.251 306 V C 2.358 178.437 176.094 -0.026 0.000 1.065 306 V CA 2.165 64.469 62.300 0.007 0.000 1.049 306 V CB -0.749 31.096 31.823 0.036 0.000 0.651 306 V HN 0.481 nan 8.190 nan 0.000 0.450 307 A N -0.589 122.206 122.820 -0.041 0.000 1.902 307 A HA -0.245 4.078 4.320 0.006 0.000 0.217 307 A C 2.252 179.791 177.584 -0.073 0.000 1.181 307 A CA 2.171 54.158 52.037 -0.084 0.000 0.623 307 A CB -0.556 18.361 19.000 -0.138 0.000 0.818 307 A HN 0.458 nan 8.150 nan 0.000 0.443 308 M N 0.440 119.991 119.600 -0.082 0.000 2.080 308 M HA -0.173 4.311 4.480 0.006 0.000 0.260 308 M C 2.235 178.507 176.300 -0.048 0.000 1.068 308 M CA 2.319 57.579 55.300 -0.067 0.000 1.109 308 M CB -1.202 31.352 32.600 -0.077 0.000 1.342 308 M HN 0.403 nan 8.290 nan 0.000 0.405 309 A N 1.105 123.900 122.820 -0.043 0.000 1.859 309 A HA -0.219 4.104 4.320 0.006 0.000 0.217 309 A C 2.194 179.759 177.584 -0.030 0.000 1.198 309 A CA 2.229 54.246 52.037 -0.034 0.000 0.629 309 A CB -1.290 17.693 19.000 -0.029 0.000 0.830 309 A HN 0.643 nan 8.150 nan 0.000 0.446 310 I N -0.186 120.366 120.570 -0.030 0.000 2.381 310 I HA -0.283 3.891 4.170 0.006 0.000 0.255 310 I C 2.496 178.601 176.117 -0.020 0.000 1.140 310 I CA 1.033 62.319 61.300 -0.023 0.000 1.404 310 I CB -0.499 37.490 38.000 -0.020 0.000 1.075 310 I HN 0.459 nan 8.210 nan 0.000 0.433 311 G N 0.770 109.556 108.800 -0.024 0.000 2.394 311 G HA2 -0.188 3.775 3.960 0.006 0.000 0.214 311 G HA3 -0.188 3.775 3.960 0.006 0.000 0.214 311 G C 1.569 176.458 174.900 -0.018 0.000 1.176 311 G CA 0.176 45.265 45.100 -0.019 0.000 0.786 311 G HN 0.323 nan 8.290 nan 0.000 0.533 312 K N -0.329 120.057 120.400 -0.023 0.000 2.374 312 K HA -0.130 4.194 4.320 0.006 0.000 0.202 312 K C 0.822 177.410 176.600 -0.020 0.000 1.044 312 K CA 0.510 56.784 56.287 -0.022 0.000 0.933 312 K CB -0.472 32.013 32.500 -0.025 0.000 0.745 312 K HN 0.243 nan 8.250 nan 0.000 0.474 313 C N 2.196 121.485 119.300 -0.019 0.000 3.305 313 C HA 0.117 4.581 4.460 0.006 0.000 0.566 313 C C 1.480 176.462 174.990 -0.014 0.000 1.178 313 C CA -0.314 58.692 59.018 -0.019 0.000 1.317 313 C CB -1.800 25.928 27.740 -0.020 0.000 1.634 313 C HN 0.344 nan 8.230 nan 0.000 0.643 314 S N 1.031 116.723 115.700 -0.013 0.000 2.571 314 S HA -0.130 4.343 4.470 0.006 0.000 0.245 314 S C 1.344 175.938 174.600 -0.009 0.000 0.976 314 S CA 1.173 59.367 58.200 -0.010 0.000 0.954 314 S CB -0.196 62.998 63.200 -0.010 0.000 0.756 314 S HN 0.718 nan 8.310 nan 0.000 0.535 315 D N 0.859 121.253 120.400 -0.011 0.000 2.355 315 D HA 0.039 4.683 4.640 0.006 0.000 0.206 315 D C -0.192 176.102 176.300 -0.010 0.000 1.010 315 D CA 0.365 54.358 54.000 -0.011 0.000 0.875 315 D CB 0.029 40.821 40.800 -0.013 0.000 0.966 315 D HN 0.268 nan 8.370 nan 0.000 0.512 316 D N 1.455 121.849 120.400 -0.010 0.000 2.558 316 D HA 0.017 4.660 4.640 0.006 0.000 0.221 316 D C 1.355 177.653 176.300 -0.004 0.000 1.143 316 D CA 0.144 54.139 54.000 -0.009 0.000 1.010 316 D CB 0.798 41.591 40.800 -0.011 0.000 1.068 316 D HN 0.103 nan 8.370 nan 0.000 0.511 317 T N -1.865 112.688 114.554 -0.002 0.000 2.977 317 T HA -0.203 4.150 4.350 0.006 0.000 0.271 317 T C 1.021 175.723 174.700 0.004 0.000 1.105 317 T CA 0.499 62.600 62.100 0.001 0.000 1.116 317 T CB -0.019 68.850 68.868 0.001 0.000 0.878 317 T HN 0.209 nan 8.240 nan 0.000 0.509 318 D N 1.156 121.558 120.400 0.003 0.000 2.323 318 D HA 0.040 4.684 4.640 0.006 0.000 0.239 318 D C 0.351 176.656 176.300 0.009 0.000 1.129 318 D CA -0.254 53.749 54.000 0.005 0.000 0.865 318 D CB -0.671 40.130 40.800 0.002 0.000 0.913 318 D HN 0.490 nan 8.370 nan 0.000 0.517 319 I N 1.317 121.894 120.570 0.011 0.000 2.316 319 I HA 0.047 4.221 4.170 0.006 0.000 0.286 319 I C 0.268 176.402 176.117 0.028 0.000 1.107 319 I CA -0.589 60.723 61.300 0.019 0.000 1.219 319 I CB 0.368 38.377 38.000 0.016 0.000 1.455 319 I HN -0.200 nan 8.210 nan 0.000 0.498 320 D N 5.561 125.980 120.400 0.031 0.000 2.342 320 D HA -0.050 4.594 4.640 0.006 0.000 0.260 320 D C 1.221 177.559 176.300 0.064 0.000 1.278 320 D CA 0.329 54.351 54.000 0.038 0.000 0.910 320 D CB 0.987 41.803 40.800 0.027 0.000 1.079 320 D HN 0.543 nan 8.370 nan 0.000 0.496 321 Q N 2.993 122.838 119.800 0.075 0.000 2.224 321 Q HA -0.323 4.020 4.340 0.006 0.000 0.213 321 Q C 1.426 177.535 176.000 0.183 0.000 0.998 321 Q CA 2.483 58.360 55.803 0.123 0.000 0.895 321 Q CB 0.106 28.905 28.738 0.102 0.000 0.926 321 Q HN 0.655 nan 8.270 nan 0.000 0.417 322 E N 0.354 120.618 120.200 0.107 0.000 2.502 322 E HA -0.052 4.301 4.350 0.006 0.000 0.194 322 E C 1.419 178.023 176.600 0.008 0.000 1.062 322 E CA 0.604 57.041 56.400 0.061 0.000 0.867 322 E CB -0.097 29.620 29.700 0.030 0.000 0.888 322 E HN 0.530 nan 8.360 nan 0.000 0.510 323 R N -0.930 119.592 120.500 0.037 0.000 2.250 323 R HA 0.208 4.551 4.340 0.006 0.000 0.194 323 R C 0.726 177.039 176.300 0.023 0.000 0.927 323 R CA 0.115 56.219 56.100 0.006 0.000 1.052 323 R CB 0.420 30.728 30.300 0.013 0.000 1.055 323 R HN 0.254 nan 8.270 nan 0.000 0.537 324 V N 2.723 122.703 119.914 0.110 0.000 2.814 324 V HA -0.026 4.097 4.120 0.006 0.000 0.307 324 V C 0.408 176.609 176.094 0.178 0.000 1.089 324 V CA 0.673 63.072 62.300 0.166 0.000 1.212 324 V CB 0.889 32.855 31.823 0.237 0.000 0.912 324 V HN 0.387 nan 8.190 nan 0.000 0.497 325 T N 3.101 117.727 114.554 0.120 0.000 2.985 325 T HA 0.667 5.021 4.350 0.006 0.000 0.315 325 T C -0.728 174.016 174.700 0.074 0.000 1.001 325 T CA -0.465 61.680 62.100 0.075 0.000 1.016 325 T CB 0.560 69.410 68.868 -0.030 0.000 0.993 325 T HN 0.313 nan 8.240 nan 0.000 0.454 326 I N 3.427 124.077 120.570 0.134 0.000 2.499 326 I HA 0.708 4.881 4.170 0.006 0.000 0.296 326 I C 0.605 176.682 176.117 -0.066 0.000 0.992 326 I CA -0.930 60.371 61.300 0.002 0.000 1.297 326 I CB 1.383 39.392 38.000 0.016 0.000 1.410 326 I HN 0.777 nan 8.210 nan 0.000 0.507 327 R N 3.355 123.739 120.500 -0.193 0.000 2.929 327 R HA 0.681 5.024 4.340 0.006 0.000 0.259 327 R C -1.995 174.099 176.300 -0.343 0.000 1.141 327 R CA -0.748 55.268 56.100 -0.140 0.000 0.991 327 R CB 1.238 31.502 30.300 -0.060 0.000 1.287 327 R HN 0.296 nan 8.270 nan 0.000 0.450 328 F N -0.175 119.809 119.950 0.056 0.000 2.831 328 F HA 0.507 5.038 4.527 0.006 0.000 0.346 328 F C 0.766 176.574 175.800 0.013 0.000 1.224 328 F CA 0.496 58.572 58.000 0.126 0.000 1.048 328 F CB 2.028 41.131 39.000 0.172 0.000 1.339 328 F HN 0.986 nan 8.300 nan 0.000 0.514 329 G N 2.762 111.641 108.800 0.132 0.000 4.766 329 G HA2 -0.273 3.690 3.960 0.006 0.000 0.314 329 G HA3 -0.273 3.690 3.960 0.006 0.000 0.314 329 G C 0.772 175.584 174.900 -0.147 0.000 1.427 329 G CA 0.663 45.553 45.100 -0.350 0.000 1.024 329 G HN 0.463 nan 8.290 nan 0.000 0.754 330 E N -0.317 119.802 120.200 -0.135 0.000 2.743 330 E HA 0.377 4.730 4.350 0.006 0.000 0.222 330 E C -0.168 176.409 176.600 -0.039 0.000 0.959 330 E CA 0.361 56.718 56.400 -0.072 0.000 1.198 330 E CB 1.529 31.183 29.700 -0.077 0.000 1.100 330 E HN 0.447 nan 8.360 nan 0.000 0.518 331 V N 1.719 121.627 119.914 -0.011 0.000 2.417 331 V HA 0.259 4.383 4.120 0.006 0.000 0.291 331 V C 0.208 176.329 176.094 0.045 0.000 1.024 331 V CA -0.762 61.549 62.300 0.018 0.000 0.861 331 V CB 2.225 34.070 31.823 0.037 0.000 0.985 331 V HN 0.029 nan 8.190 nan 0.000 0.436 332 E N 2.742 122.946 120.200 0.006 0.000 2.331 332 E HA 0.385 4.739 4.350 0.006 0.000 0.272 332 E C 0.305 176.898 176.600 -0.011 0.000 1.036 332 E CA -0.271 56.123 56.400 -0.011 0.000 0.864 332 E CB 1.651 31.323 29.700 -0.047 0.000 1.035 332 E HN 0.642 nan 8.360 nan 0.000 0.408 333 V N 2.156 122.060 119.914 -0.017 0.000 3.398 333 V HA 0.349 4.473 4.120 0.006 0.000 0.298 333 V C -0.758 175.154 176.094 -0.303 0.000 1.496 333 V CA -0.432 61.806 62.300 -0.103 0.000 1.044 333 V CB -0.120 31.722 31.823 0.031 0.000 0.880 333 V HN 0.591 nan 8.190 nan 0.000 0.443 334 Y N 1.026 121.119 120.300 -0.345 0.000 2.362 334 Y HA 0.774 5.328 4.550 0.006 0.000 0.326 334 Y C -3.173 172.602 175.900 -0.209 0.000 1.083 334 Y CA -2.634 55.228 58.100 -0.397 0.000 1.073 334 Y CB 2.481 40.731 38.460 -0.349 0.000 1.211 334 Y HN 0.017 nan 8.280 nan 0.000 0.433 335 P HA 0.090 nan 4.420 nan 0.000 0.269 335 P C -2.436 174.625 177.300 -0.398 0.000 1.211 335 P CA -0.328 62.331 63.100 -0.735 0.000 0.781 335 P CB 0.198 31.603 31.700 -0.491 0.000 0.877 345 D N -0.123 120.278 120.400 0.001 0.000 2.271 345 D HA 0.220 4.864 4.640 0.006 0.000 0.207 345 D C 2.219 178.521 176.300 0.003 0.000 0.983 345 D CA 3.341 57.344 54.000 0.004 0.000 0.878 345 D CB -0.803 40.000 40.800 0.004 0.000 0.920 345 D HN 1.233 nan 8.370 nan 0.000 0.479 346 A N -0.039 122.781 122.820 0.001 0.000 1.972 346 A HA 0.113 4.437 4.320 0.006 0.000 0.219 346 A C 2.356 179.941 177.584 0.001 0.000 1.169 346 A CA 1.213 53.250 52.037 0.000 0.000 0.635 346 A CB -0.369 18.630 19.000 -0.002 0.000 0.810 346 A HN 0.556 nan 8.150 nan 0.000 0.446 347 L N -1.227 119.997 121.223 0.002 0.000 2.141 347 L HA -0.179 4.164 4.340 0.006 0.000 0.209 347 L C 3.295 180.171 176.870 0.011 0.000 1.094 347 L CA 1.101 55.944 54.840 0.005 0.000 0.763 347 L CB -0.751 41.309 42.059 0.001 0.000 0.908 347 L HN 0.561 nan 8.230 nan 0.000 0.437 348 R N 0.610 121.115 120.500 0.009 0.000 2.061 348 R HA 0.037 4.380 4.340 0.006 0.000 0.230 348 R C 2.296 178.599 176.300 0.004 0.000 1.140 348 R CA 1.456 57.562 56.100 0.010 0.000 0.940 348 R CB -1.595 28.712 30.300 0.011 0.000 0.839 348 R HN 0.410 nan 8.270 nan 0.000 0.429 349 A N 0.377 123.199 122.820 0.004 0.000 2.168 349 A HA 0.407 4.730 4.320 0.006 0.000 0.215 349 A C 2.602 180.191 177.584 0.008 0.000 1.152 349 A CA 1.399 53.438 52.037 0.002 0.000 0.716 349 A CB -0.546 18.456 19.000 0.002 0.000 0.794 349 A HN 0.888 nan 8.150 nan 0.000 0.465 350 A N -0.504 122.322 122.820 0.010 0.000 1.855 350 A HA 0.089 4.413 4.320 0.006 0.000 0.213 350 A C 2.156 179.758 177.584 0.030 0.000 1.195 350 A CA 1.502 53.547 52.037 0.013 0.000 0.610 350 A CB -0.850 18.153 19.000 0.005 0.000 0.837 350 A HN 0.302 nan 8.150 nan 0.000 0.444 351 V N 0.209 120.142 119.914 0.031 0.000 2.261 351 V HA -0.258 3.866 4.120 0.006 0.000 0.246 351 V C 3.070 179.181 176.094 0.027 0.000 1.047 351 V CA 1.960 64.290 62.300 0.049 0.000 1.015 351 V CB -1.463 30.366 31.823 0.010 0.000 0.642 351 V HN 0.631 nan 8.190 nan 0.000 0.446 352 A N -0.011 122.798 122.820 -0.018 0.000 1.882 352 A HA -0.341 3.982 4.320 0.006 0.000 0.220 352 A C 2.117 179.696 177.584 -0.008 0.000 1.253 352 A CA 2.340 54.355 52.037 -0.036 0.000 0.664 352 A CB -0.815 18.170 19.000 -0.026 0.000 0.838 352 A HN 0.539 nan 8.150 nan 0.000 0.460 353 E N -1.147 119.065 120.200 0.020 0.000 2.219 353 E HA -0.237 4.116 4.350 0.006 0.000 0.198 353 E C 1.755 178.402 176.600 0.079 0.000 0.998 353 E CA 1.634 58.055 56.400 0.035 0.000 0.818 353 E CB -0.514 29.209 29.700 0.038 0.000 0.741 353 E HN 0.883 nan 8.360 nan 0.000 0.477 354 H N -0.049 119.012 119.070 -0.015 0.000 2.363 354 H HA 0.015 4.574 4.556 0.006 0.000 0.301 354 H C 1.649 176.975 175.328 -0.003 0.000 1.074 354 H CA 0.965 57.018 56.048 0.007 0.000 1.354 354 H CB -0.118 29.665 29.762 0.034 0.000 1.397 354 H HN 0.024 nan 8.280 nan 0.000 0.516 355 L N 0.088 121.258 121.223 -0.088 0.000 2.599 355 L HA 0.133 4.477 4.340 0.006 0.000 0.230 355 L C 1.735 178.538 176.870 -0.111 0.000 1.141 355 L CA 0.599 55.342 54.840 -0.161 0.000 0.877 355 L CB 0.026 41.970 42.059 -0.191 0.000 1.009 355 L HN 0.145 nan 8.230 nan 0.000 0.447 356 R N -1.131 119.326 120.500 -0.073 0.000 2.362 356 R HA 0.254 4.598 4.340 0.006 0.000 0.227 356 R C 0.787 177.062 176.300 -0.042 0.000 0.905 356 R CA 0.133 56.201 56.100 -0.054 0.000 1.067 356 R CB 0.522 30.802 30.300 -0.033 0.000 1.078 356 R HN 0.267 nan 8.270 nan 0.000 0.516 357 G N 0.728 109.499 108.800 -0.048 0.000 2.417 357 G HA2 0.068 4.031 3.960 0.006 0.000 0.334 357 G HA3 0.068 4.031 3.960 0.006 0.000 0.334 357 G C 0.094 174.973 174.900 -0.034 0.000 1.150 357 G CA -0.540 44.543 45.100 -0.027 0.000 0.923 357 G HN 0.125 nan 8.290 nan 0.000 0.485 358 D N -0.549 119.847 120.400 -0.007 0.000 2.429 358 D HA -0.095 4.548 4.640 0.006 0.000 0.230 358 D C 0.257 176.561 176.300 0.006 0.000 1.005 358 D CA 0.830 54.833 54.000 0.005 0.000 0.963 358 D CB 0.092 40.903 40.800 0.018 0.000 0.872 358 D HN 0.496 nan 8.370 nan 0.000 0.524 359 E N -1.087 119.101 120.200 -0.020 0.000 2.321 359 E HA 0.476 4.829 4.350 0.006 0.000 0.281 359 E C -1.535 174.989 176.600 -0.126 0.000 0.910 359 E CA -0.860 55.531 56.400 -0.015 0.000 0.770 359 E CB 2.687 32.411 29.700 0.041 0.000 1.225 359 E HN -0.096 nan 8.360 nan 0.000 0.417 360 V N 2.265 122.120 119.914 -0.099 0.000 2.577 360 V HA 0.477 4.600 4.120 0.006 0.000 0.303 360 V C -0.418 175.704 176.094 0.046 0.000 1.042 360 V CA -0.940 61.247 62.300 -0.189 0.000 0.872 360 V CB 1.698 33.462 31.823 -0.099 0.000 0.998 360 V HN 0.420 nan 8.190 nan 0.000 0.423 361 V N 5.546 125.611 119.914 0.250 0.000 2.483 361 V HA 0.545 4.669 4.120 0.006 0.000 0.295 361 V C -0.238 175.953 176.094 0.161 0.000 1.035 361 V CA -0.433 61.994 62.300 0.213 0.000 0.896 361 V CB 1.932 33.890 31.823 0.226 0.000 0.986 361 V HN 0.728 nan 8.190 nan 0.000 0.447 362 I N 3.624 124.189 120.570 -0.008 0.000 2.411 362 I HA 0.484 4.657 4.170 0.006 0.000 0.284 362 I C 0.639 176.666 176.117 -0.150 0.000 1.012 362 I CA -0.277 60.915 61.300 -0.181 0.000 1.119 362 I CB 1.718 39.611 38.000 -0.180 0.000 1.261 362 I HN 0.743 nan 8.210 nan 0.000 0.448 363 G N 7.685 116.384 108.800 -0.168 0.000 2.329 363 G HA2 0.670 4.633 3.960 0.006 0.000 0.309 363 G HA3 0.670 4.633 3.960 0.006 0.000 0.309 363 G C -0.601 174.237 174.900 -0.103 0.000 1.110 363 G CA -0.284 44.753 45.100 -0.105 0.000 0.923 363 G HN 0.503 nan 8.290 nan 0.000 0.430 364 I N 2.232 122.761 120.570 -0.067 0.000 2.389 364 I HA 0.225 4.399 4.170 0.006 0.000 0.288 364 I C -1.139 174.969 176.117 -0.016 0.000 0.999 364 I CA -0.727 60.550 61.300 -0.039 0.000 1.129 364 I CB 2.262 40.241 38.000 -0.034 0.000 1.288 364 I HN 0.318 nan 8.210 nan 0.000 0.444 365 D N 6.265 126.664 120.400 -0.001 0.000 2.344 365 D HA 0.379 5.023 4.640 0.006 0.000 0.239 365 D C 0.438 176.748 176.300 0.016 0.000 1.064 365 D CA -0.326 53.675 54.000 0.002 0.000 0.829 365 D CB 1.665 42.461 40.800 -0.007 0.000 1.129 365 D HN 0.392 nan 8.370 nan 0.000 0.506 366 L N 2.817 124.048 121.223 0.013 0.000 2.529 366 L HA 0.323 4.666 4.340 0.006 0.000 0.223 366 L C 1.012 177.891 176.870 0.014 0.000 1.113 366 L CA 0.077 54.928 54.840 0.019 0.000 0.861 366 L CB -0.352 41.715 42.059 0.013 0.000 1.012 366 L HN 0.634 nan 8.230 nan 0.000 0.461 367 A N 0.808 123.632 122.820 0.006 0.000 2.136 367 A HA -0.211 4.113 4.320 0.006 0.000 0.274 367 A C 0.647 178.233 177.584 0.003 0.000 1.388 367 A CA 1.058 53.096 52.037 0.001 0.000 0.741 367 A CB -1.752 17.246 19.000 -0.003 0.000 1.173 367 A HN 0.517 nan 8.150 nan 0.000 0.329 368 I N -1.875 118.697 120.570 0.003 0.000 3.680 368 I HA 0.516 4.689 4.170 0.006 0.000 0.261 368 I C 1.136 177.254 176.117 0.002 0.000 1.121 368 I CA 0.490 61.792 61.300 0.003 0.000 1.429 368 I CB 0.078 38.081 38.000 0.004 0.000 1.719 368 I HN 0.820 nan 8.210 nan 0.000 0.413 369 A N 0.334 123.156 122.820 0.003 0.000 2.681 369 A HA 0.621 4.945 4.320 0.006 0.000 0.278 369 A C -0.701 176.886 177.584 0.005 0.000 1.272 369 A CA 0.499 52.538 52.037 0.003 0.000 0.750 369 A CB -0.157 18.845 19.000 0.004 0.000 1.351 369 A HN 0.257 nan 8.150 nan 0.000 0.514 370 D N -0.095 120.309 120.400 0.007 0.000 2.894 370 D HA 0.480 5.124 4.640 0.006 0.000 0.248 370 D C 0.400 176.709 176.300 0.015 0.000 1.291 370 D CA 0.319 54.324 54.000 0.008 0.000 0.840 370 D CB -0.050 40.754 40.800 0.006 0.000 1.044 370 D HN 1.055 nan 8.370 nan 0.000 0.484 371 G N -0.516 108.294 108.800 0.017 0.000 2.338 371 G HA2 0.651 4.615 3.960 0.006 0.000 0.298 371 G HA3 0.651 4.615 3.960 0.006 0.000 0.298 371 G C -0.207 174.717 174.900 0.039 0.000 1.140 371 G CA 0.325 45.443 45.100 0.029 0.000 0.860 371 G HN 1.002 nan 8.290 nan 0.000 0.470 372 A N 1.517 124.374 122.820 0.062 0.000 2.549 372 A HA 0.844 5.168 4.320 0.006 0.000 0.297 372 A C -1.786 175.890 177.584 0.154 0.000 1.061 372 A CA -0.627 51.455 52.037 0.074 0.000 0.690 372 A CB 1.782 20.800 19.000 0.029 0.000 1.287 372 A HN 1.289 nan 8.150 nan 0.000 0.402 373 F N 0.434 120.363 119.950 -0.035 0.000 2.672 373 F HA 0.605 5.135 4.527 0.006 0.000 0.311 373 F C -0.715 175.046 175.800 -0.066 0.000 1.113 373 F CA 0.115 58.090 58.000 -0.042 0.000 0.996 373 F CB 2.014 40.990 39.000 -0.040 0.000 1.286 373 F HN 0.542 nan 8.300 nan 0.000 0.441 374 T N 5.260 119.536 114.554 -0.464 0.000 2.797 374 T HA 0.658 5.011 4.350 0.006 0.000 0.279 374 T C -0.848 173.691 174.700 -0.269 0.000 0.991 374 T CA -0.543 61.373 62.100 -0.307 0.000 0.979 374 T CB 1.332 69.991 68.868 -0.348 0.000 0.943 374 T HN 0.677 nan 8.240 nan 0.000 0.444 375 V N 1.459 121.292 119.914 -0.135 0.000 2.864 375 V HA 0.805 4.928 4.120 0.006 0.000 0.314 375 V C -1.614 174.281 176.094 -0.331 0.000 1.073 375 V CA -1.020 61.273 62.300 -0.011 0.000 0.956 375 V CB 1.311 33.215 31.823 0.135 0.000 1.023 375 V HN 0.778 nan 8.190 nan 0.000 0.435 376 Y N 1.651 121.977 120.300 0.044 0.000 2.567 376 Y HA 0.993 5.546 4.550 0.005 0.000 0.333 376 Y C 0.850 176.767 175.900 0.028 0.000 1.106 376 Y CA 0.415 58.528 58.100 0.021 0.000 1.157 376 Y CB 2.434 40.892 38.460 -0.003 0.000 1.277 376 Y HN 1.272 nan 8.280 nan 0.000 0.490 377 G N -0.938 107.965 108.800 0.171 0.000 2.325 377 G HA2 0.442 4.406 3.960 0.006 0.000 0.295 377 G HA3 0.442 4.406 3.960 0.006 0.000 0.295 377 G C -1.534 173.414 174.900 0.079 0.000 1.274 377 G CA -0.318 44.842 45.100 0.100 0.000 0.857 377 G HN 1.093 nan 8.290 nan 0.000 0.499 378 C N -0.655 118.671 119.300 0.043 0.000 3.259 378 C HA 0.933 5.397 4.460 0.006 0.000 0.328 378 C C -0.455 174.541 174.990 0.010 0.000 1.425 378 C CA -0.258 58.782 59.018 0.036 0.000 1.465 378 C CB 1.494 29.258 27.740 0.041 0.000 1.890 378 C HN 1.060 nan 8.230 nan 0.000 0.450 379 D N 0.571 120.984 120.400 0.022 0.000 2.354 379 D HA 0.430 5.074 4.640 0.006 0.000 0.247 379 D C -0.795 175.476 176.300 -0.048 0.000 1.138 379 D CA -0.307 53.705 54.000 0.020 0.000 0.958 379 D CB 1.155 42.009 40.800 0.090 0.000 1.144 379 D HN 0.629 nan 8.370 nan 0.000 0.458 380 L N 1.171 122.342 121.223 -0.088 0.000 2.262 380 L HA 0.346 4.690 4.340 0.006 0.000 0.288 380 L C -0.117 176.578 176.870 -0.292 0.000 1.035 380 L CA -0.062 54.666 54.840 -0.186 0.000 0.820 380 L CB 0.693 42.641 42.059 -0.185 0.000 1.204 380 L HN 0.641 nan 8.230 nan 0.000 0.424 381 T N 0.253 114.623 114.554 -0.308 0.000 2.952 381 T HA 0.370 4.723 4.350 0.006 0.000 0.286 381 T C 0.867 175.455 174.700 -0.186 0.000 1.024 381 T CA -0.120 61.680 62.100 -0.500 0.000 1.029 381 T CB 1.167 69.787 68.868 -0.412 0.000 1.094 381 T HN 0.715 nan 8.240 nan 0.000 0.515 382 E N 0.678 120.780 120.200 -0.163 0.000 2.333 382 E HA -0.023 4.331 4.350 0.006 0.000 0.198 382 E C 1.909 178.511 176.600 0.003 0.000 1.007 382 E CA 0.928 57.308 56.400 -0.034 0.000 0.845 382 E CB -0.737 28.961 29.700 -0.004 0.000 0.766 382 E HN 0.815 nan 8.360 nan 0.000 0.507 383 G N 0.862 109.661 108.800 -0.001 0.000 2.394 383 G HA2 -0.306 3.658 3.960 0.006 0.000 0.215 383 G HA3 -0.306 3.658 3.960 0.006 0.000 0.215 383 G C 1.314 176.229 174.900 0.025 0.000 1.165 383 G CA 0.701 45.809 45.100 0.013 0.000 0.784 383 G HN 0.359 nan 8.290 nan 0.000 0.535 384 Y N 1.484 121.749 120.300 -0.058 0.000 2.102 384 Y HA -0.243 4.311 4.550 0.005 0.000 0.280 384 Y C 2.790 178.669 175.900 -0.035 0.000 1.178 384 Y CA 2.061 60.134 58.100 -0.044 0.000 1.146 384 Y CB -0.401 38.027 38.460 -0.054 0.000 0.968 384 Y HN 0.049 nan 8.280 nan 0.000 0.504 385 V N 0.854 120.853 119.914 0.141 0.000 2.237 385 V HA -0.313 3.810 4.120 0.006 0.000 0.245 385 V C 2.540 178.612 176.094 -0.036 0.000 1.046 385 V CA 2.323 64.663 62.300 0.067 0.000 1.007 385 V CB -0.810 31.066 31.823 0.088 0.000 0.638 385 V HN 0.340 nan 8.190 nan 0.000 0.445 386 R N -0.433 120.053 120.500 -0.022 0.000 2.139 386 R HA -0.153 4.190 4.340 0.006 0.000 0.243 386 R C 2.201 178.462 176.300 -0.065 0.000 1.145 386 R CA 1.524 57.604 56.100 -0.033 0.000 0.976 386 R CB -0.248 30.041 30.300 -0.018 0.000 0.866 386 R HN 0.482 nan 8.270 nan 0.000 0.449 387 L N 0.038 121.197 121.223 -0.107 0.000 2.095 387 L HA -0.088 4.256 4.340 0.006 0.000 0.204 387 L C 1.024 177.792 176.870 -0.169 0.000 1.080 387 L CA 0.778 55.539 54.840 -0.132 0.000 0.759 387 L CB -0.283 41.683 42.059 -0.156 0.000 0.914 387 L HN 0.114 nan 8.230 nan 0.000 0.439 388 N N 0.080 118.628 118.700 -0.253 0.000 2.346 388 N HA 0.084 4.827 4.740 0.006 0.000 0.225 388 N C 1.002 176.438 175.510 -0.124 0.000 1.144 388 N CA 0.809 53.719 53.050 -0.234 0.000 0.837 388 N CB 0.873 39.123 38.487 -0.394 0.000 1.069 388 N HN 0.363 nan 8.380 nan 0.000 0.487 389 S N -0.591 115.056 115.700 -0.088 0.000 3.171 389 S HA 0.238 4.712 4.470 0.006 0.000 0.258 389 S C 1.020 175.594 174.600 -0.042 0.000 1.083 389 S CA 0.336 58.505 58.200 -0.051 0.000 0.801 389 S CB 0.071 63.249 63.200 -0.035 0.000 0.831 389 S HN 0.285 nan 8.310 nan 0.000 0.462 390 E N 0.000 120.174 120.200 -0.044 0.000 2.725 390 E HA 0.000 4.353 4.350 0.006 0.000 0.291 390 E CA 0.000 56.380 56.400 -0.034 0.000 0.976 390 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440