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 1sp8_1_B DATA FIRST_RESID 34 DATA SEQUENCE FVRFNPRSDR FHTLAFHHVE LWCADAASAA GRFSFGLGAP LAARSDLSTG DATA SEQUENCE NSAHASLLLR SGSLSFLFTA PYAHGADAAT AALPSFSAAA ARRFAADHGL DATA SEQUENCE AVRAVALRVA DAEDAFRASV AAGARPAFGP VDLGRGFRLA EVELYGDVVL DATA SEQUENCE RYVSYPDGAA GEPFLPGFEG VASPGAADYG LSRFDHIVGN VPELAPAAAY DATA SEQUENCE FAGFTGFHEF AEFTTXXXXX XXSGLNSMVL ANNSENVLLP LNEPVHGTKR DATA SEQUENCE RSQIQTFLDH HGGPGVQHMA LASDDVLRTL REMQARSAMG GFEFMAPPTS DATA SEQUENCE DYYDGVRRRA GDVLTEAQIK ECQELGVLVD RDDQGVLLQI FTKPVGDRPT DATA SEQUENCE LFLEIIQRIG CMEKDEKGQE YQKGGCGGFG KGNFSQLFKS IEDYEKSLE 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 34 F HA 0.000 nan 4.527 nan 0.000 0.279 34 F C 0.000 175.736 175.800 -0.106 0.000 0.967 34 F CA 0.000 57.966 58.000 -0.057 0.000 1.383 34 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 35 V N 4.820 124.170 119.914 -0.940 0.000 2.427 35 V HA 0.423 4.543 4.120 0.000 0.000 0.268 35 V C 0.267 176.117 176.094 -0.408 0.000 1.046 35 V CA -0.324 61.592 62.300 -0.640 0.000 0.970 35 V CB 0.624 32.088 31.823 -0.598 0.000 1.001 35 V HN 0.572 nan 8.190 nan 0.000 0.476 36 R N 3.750 124.099 120.500 -0.252 0.000 2.531 36 R HA 0.454 4.794 4.340 0.000 0.000 0.273 36 R C -0.008 176.252 176.300 -0.068 0.000 1.070 36 R CA -0.540 55.516 56.100 -0.073 0.000 1.112 36 R CB 0.795 31.011 30.300 -0.141 0.000 1.049 36 R HN 0.707 nan 8.270 nan 0.000 0.508 37 F N 0.282 120.225 119.950 -0.011 0.000 2.545 37 F HA 0.130 4.658 4.527 0.000 0.000 0.348 37 F C 0.204 175.958 175.800 -0.076 0.000 1.163 37 F CA -0.992 56.985 58.000 -0.038 0.000 1.331 37 F CB 0.250 39.236 39.000 -0.024 0.000 1.138 37 F HN 0.302 nan 8.300 nan 0.000 0.602 38 N N 3.283 121.870 118.700 -0.187 0.000 2.623 38 N HA 0.336 5.076 4.740 0.000 0.000 0.256 38 N C -2.105 173.217 175.510 -0.313 0.000 1.045 38 N CA -2.377 50.334 53.050 -0.566 0.000 0.863 38 N CB 1.012 39.251 38.487 -0.412 0.000 1.182 38 N HN 0.457 nan 8.380 nan 0.000 0.523 39 P HA 0.007 nan 4.420 nan 0.000 0.247 39 P C -0.581 176.659 177.300 -0.100 0.000 1.225 39 P CA 0.098 63.184 63.100 -0.023 0.000 0.768 39 P CB 0.056 31.832 31.700 0.127 0.000 1.020 40 R N 0.517 120.890 120.500 -0.213 0.000 3.184 40 R HA -0.113 4.227 4.340 0.000 0.000 0.242 40 R C 0.416 176.674 176.300 -0.070 0.000 0.907 40 R CA 0.677 56.699 56.100 -0.130 0.000 0.618 40 R CB -2.642 27.602 30.300 -0.094 0.000 1.016 40 R HN 0.435 nan 8.270 nan 0.000 0.469 41 S N -1.625 114.046 115.700 -0.049 0.000 2.573 41 S HA 0.083 4.553 4.470 0.000 0.000 0.244 41 S C 0.139 174.706 174.600 -0.056 0.000 0.984 41 S CA -0.823 57.356 58.200 -0.035 0.000 1.001 41 S CB 0.469 63.661 63.200 -0.014 0.000 0.788 41 S HN 0.166 nan 8.310 nan 0.000 0.456 42 D N 2.699 123.062 120.400 -0.063 0.000 2.525 42 D HA 0.085 4.725 4.640 0.000 0.000 0.235 42 D C 1.067 177.234 176.300 -0.222 0.000 1.137 42 D CA 0.188 54.089 54.000 -0.166 0.000 0.868 42 D CB 0.537 41.244 40.800 -0.154 0.000 1.180 42 D HN 0.317 nan 8.370 nan 0.000 0.465 43 R N 1.186 121.481 120.500 -0.342 0.000 2.276 43 R HA 0.107 4.447 4.340 0.000 0.000 0.196 43 R C -0.046 176.271 176.300 0.029 0.000 0.961 43 R CA 0.361 56.397 56.100 -0.106 0.000 1.024 43 R CB -0.052 30.269 30.300 0.036 0.000 0.940 43 R HN 0.433 nan 8.270 nan 0.000 0.480 44 F N -4.060 115.864 119.950 -0.043 0.000 2.654 44 F HA 0.312 4.839 4.527 0.000 0.000 0.308 44 F C -0.562 175.254 175.800 0.027 0.000 1.108 44 F CA -1.961 56.013 58.000 -0.043 0.000 0.957 44 F CB 0.469 39.387 39.000 -0.136 0.000 1.309 44 F HN -0.238 nan 8.300 nan 0.000 0.446 45 H N 1.401 120.507 119.070 0.059 0.000 3.145 45 H HA 0.315 4.872 4.556 0.000 0.000 0.263 45 H C -0.722 174.626 175.328 0.033 0.000 1.057 45 H CA 0.147 56.190 56.048 -0.008 0.000 1.477 45 H CB 0.221 29.974 29.762 -0.015 0.000 1.529 45 H HN 0.700 nan 8.280 nan 0.000 0.508 46 T N 8.206 122.706 114.554 -0.090 0.000 2.832 46 T HA 0.178 4.528 4.350 0.000 0.000 0.313 46 T C 1.774 176.312 174.700 -0.270 0.000 1.035 46 T CA -0.625 61.413 62.100 -0.105 0.000 0.950 46 T CB 0.384 69.250 68.868 -0.003 0.000 0.984 46 T HN 0.537 nan 8.240 nan 0.000 0.486 47 L N 1.654 122.685 121.223 -0.320 0.000 2.023 47 L HA 0.353 4.693 4.340 0.000 0.000 0.205 47 L C 1.307 178.073 176.870 -0.173 0.000 1.073 47 L CA 0.575 55.235 54.840 -0.300 0.000 0.745 47 L CB -0.364 41.532 42.059 -0.273 0.000 0.900 47 L HN 0.712 nan 8.230 nan 0.000 0.435 48 A N -2.001 120.747 122.820 -0.120 0.000 2.452 48 A HA 0.457 4.777 4.320 0.000 0.000 0.294 48 A C -1.441 176.132 177.584 -0.019 0.000 1.010 48 A CA -0.867 51.111 52.037 -0.098 0.000 0.613 48 A CB -0.119 18.887 19.000 0.010 0.000 1.363 48 A HN -0.090 nan 8.150 nan 0.000 0.463 49 F N 1.316 121.299 119.950 0.055 0.000 2.553 49 F HA 0.313 4.841 4.527 0.000 0.000 0.356 49 F C 1.834 177.721 175.800 0.146 0.000 1.142 49 F CA 1.368 59.401 58.000 0.056 0.000 1.322 49 F CB 0.548 39.574 39.000 0.044 0.000 1.126 49 F HN 0.799 nan 8.300 nan 0.000 0.599 50 H N 1.670 120.893 119.070 0.255 0.000 2.408 50 H HA 0.111 4.668 4.556 0.000 0.000 0.271 50 H C -0.156 175.377 175.328 0.340 0.000 0.957 50 H CA 0.965 57.177 56.048 0.274 0.000 1.170 50 H CB 0.699 30.616 29.762 0.258 0.000 1.458 50 H HN 0.737 nan 8.280 nan 0.000 0.491 51 H N -1.829 117.367 119.070 0.209 0.000 2.904 51 H HA 0.371 4.927 4.556 0.000 0.000 0.290 51 H C -2.000 173.243 175.328 -0.141 0.000 1.437 51 H CA -0.619 55.473 56.048 0.072 0.000 1.147 51 H CB 0.962 30.853 29.762 0.216 0.000 1.824 51 H HN -0.020 nan 8.280 nan 0.000 0.505 52 V N 0.717 120.602 119.914 -0.047 0.000 2.789 52 V HA 0.329 4.449 4.120 0.000 0.000 0.311 52 V C -0.343 175.766 176.094 0.025 0.000 1.073 52 V CA -0.665 61.516 62.300 -0.197 0.000 0.921 52 V CB 1.877 33.430 31.823 -0.449 0.000 1.009 52 V HN 0.803 nan 8.190 nan 0.000 0.426 53 E N 4.123 124.309 120.200 -0.023 0.000 2.199 53 E HA 0.550 4.900 4.350 0.000 0.000 0.265 53 E C -1.798 174.707 176.600 -0.157 0.000 0.882 53 E CA -0.675 55.687 56.400 -0.063 0.000 0.759 53 E CB 1.563 31.268 29.700 0.009 0.000 1.148 53 E HN 0.502 nan 8.360 nan 0.000 0.412 54 L N 4.233 125.347 121.223 -0.182 0.000 2.296 54 L HA 0.372 4.713 4.340 0.000 0.000 0.286 54 L C -0.618 176.343 176.870 0.151 0.000 1.023 54 L CA -0.740 54.064 54.840 -0.061 0.000 0.812 54 L CB 0.686 42.641 42.059 -0.172 0.000 1.223 54 L HN 0.653 nan 8.230 nan 0.000 0.421 55 W N 3.376 124.650 121.300 -0.044 0.000 2.331 55 W HA 0.418 5.078 4.660 0.000 0.000 0.306 55 W C -0.035 176.605 176.519 0.201 0.000 1.162 55 W CA -0.842 56.489 57.345 -0.024 0.000 1.232 55 W CB 1.255 30.509 29.460 -0.342 0.000 1.235 55 W HN 0.510 nan 8.180 nan 0.000 0.479 56 C N 1.296 120.794 119.300 0.331 0.000 2.710 56 C HA 0.767 5.227 4.460 0.000 0.000 0.367 56 C C 1.559 176.649 174.990 0.166 0.000 1.315 56 C CA -0.315 58.861 59.018 0.263 0.000 1.764 56 C CB 1.047 28.923 27.740 0.227 0.000 2.182 56 C HN 0.708 nan 8.230 nan 0.000 0.491 57 A N -0.381 122.520 122.820 0.134 0.000 1.935 57 A HA 0.214 4.534 4.320 0.000 0.000 0.214 57 A C 0.286 177.895 177.584 0.042 0.000 1.178 57 A CA 1.665 53.748 52.037 0.078 0.000 0.640 57 A CB -0.296 18.750 19.000 0.075 0.000 0.825 57 A HN 0.939 nan 8.150 nan 0.000 0.447 58 D N -2.923 117.507 120.400 0.052 0.000 2.763 58 D HA 0.600 5.240 4.640 0.000 0.000 0.235 58 D C 0.476 176.792 176.300 0.027 0.000 1.334 58 D CA 0.248 54.258 54.000 0.017 0.000 0.950 58 D CB 1.497 42.308 40.800 0.019 0.000 1.433 58 D HN 0.052 nan 8.370 nan 0.000 0.580 59 A N 3.367 126.189 122.820 0.003 0.000 1.898 59 A HA 0.152 4.473 4.320 0.000 0.000 0.216 59 A C 2.225 179.780 177.584 -0.048 0.000 1.181 59 A CA 1.654 53.709 52.037 0.029 0.000 0.620 59 A CB -0.826 18.191 19.000 0.028 0.000 0.819 59 A HN 0.684 nan 8.150 nan 0.000 0.442 60 A N -0.134 122.658 122.820 -0.046 0.000 1.884 60 A HA -0.198 4.122 4.320 0.000 0.000 0.219 60 A C 2.475 180.016 177.584 -0.072 0.000 1.197 60 A CA 2.515 54.520 52.037 -0.053 0.000 0.637 60 A CB -1.124 17.864 19.000 -0.021 0.000 0.827 60 A HN 0.477 nan 8.150 nan 0.000 0.450 61 S N -0.363 115.313 115.700 -0.040 0.000 2.348 61 S HA -0.053 4.417 4.470 0.000 0.000 0.221 61 S C 2.374 176.936 174.600 -0.064 0.000 1.033 61 S CA 1.429 59.617 58.200 -0.020 0.000 1.010 61 S CB -0.656 62.556 63.200 0.019 0.000 0.891 61 S HN 0.864 nan 8.310 nan 0.000 0.442 62 A N 1.678 124.441 122.820 -0.095 0.000 1.858 62 A HA 0.078 4.398 4.320 0.000 0.000 0.216 62 A C 2.390 179.563 177.584 -0.686 0.000 1.190 62 A CA 1.886 53.817 52.037 -0.176 0.000 0.617 62 A CB -1.278 17.729 19.000 0.011 0.000 0.827 62 A HN 0.526 nan 8.150 nan 0.000 0.443 63 A N -0.554 121.639 122.820 -1.044 0.000 1.877 63 A HA 0.116 4.436 4.320 0.000 0.000 0.216 63 A C 2.460 179.748 177.584 -0.493 0.000 1.186 63 A CA 2.027 53.314 52.037 -1.250 0.000 0.620 63 A CB -1.508 17.080 19.000 -0.687 0.000 0.822 63 A HN 0.793 nan 8.150 nan 0.000 0.443 64 G N -0.647 107.997 108.800 -0.261 0.000 2.446 64 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 64 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 64 G C 1.778 176.620 174.900 -0.096 0.000 1.168 64 G CA 1.157 46.213 45.100 -0.074 0.000 0.771 64 G HN 0.561 nan 8.290 nan 0.000 0.551 65 R N -0.619 119.753 120.500 -0.214 0.000 2.066 65 R HA 0.035 4.375 4.340 0.000 0.000 0.232 65 R C 2.371 178.151 176.300 -0.868 0.000 1.131 65 R CA 1.078 56.772 56.100 -0.678 0.000 0.955 65 R CB -0.413 29.674 30.300 -0.354 0.000 0.851 65 R HN 0.407 nan 8.270 nan 0.000 0.432 66 F N 0.225 119.869 119.950 -0.509 0.000 2.216 66 F HA -0.208 4.319 4.527 0.000 0.000 0.300 66 F C 2.881 178.510 175.800 -0.285 0.000 1.085 66 F CA 1.378 59.230 58.000 -0.247 0.000 1.326 66 F CB -0.194 38.728 39.000 -0.130 0.000 1.027 66 F HN 0.149 nan 8.300 nan 0.000 0.497 67 S N 0.486 116.100 115.700 -0.145 0.000 2.348 67 S HA -0.228 4.242 4.470 0.000 0.000 0.221 67 S C 1.986 176.534 174.600 -0.088 0.000 1.033 67 S CA 1.874 60.021 58.200 -0.087 0.000 1.010 67 S CB -0.605 62.576 63.200 -0.032 0.000 0.891 67 S HN 0.458 nan 8.310 nan 0.000 0.442 68 F N 0.570 120.473 119.950 -0.079 0.000 2.416 68 F HA 0.409 4.936 4.527 0.000 0.000 0.296 68 F C 2.179 177.984 175.800 0.007 0.000 1.099 68 F CA 0.569 58.545 58.000 -0.039 0.000 1.427 68 F CB -1.058 37.928 39.000 -0.024 0.000 1.079 68 F HN 0.190 nan 8.300 nan 0.000 0.536 69 G N 0.861 109.317 108.800 -0.574 0.000 2.448 69 G HA2 -0.065 3.895 3.960 0.000 0.000 0.218 69 G HA3 -0.065 3.895 3.960 0.000 0.000 0.218 69 G C 1.262 176.234 174.900 0.119 0.000 1.135 69 G CA 0.801 45.653 45.100 -0.413 0.000 0.784 69 G HN 0.344 nan 8.290 nan 0.000 0.543 70 L N -0.687 120.560 121.223 0.039 0.000 2.642 70 L HA 0.402 4.742 4.340 0.000 0.000 0.233 70 L C 1.695 178.393 176.870 -0.287 0.000 1.077 70 L CA 0.806 55.676 54.840 0.050 0.000 0.879 70 L CB 0.152 42.218 42.059 0.011 0.000 1.151 70 L HN 0.342 nan 8.230 nan 0.000 0.495 71 G N 0.452 108.822 108.800 -0.718 0.000 2.248 71 G HA2 -0.050 3.910 3.960 0.000 0.000 0.252 71 G HA3 -0.050 3.910 3.960 0.000 0.000 0.252 71 G C 0.232 174.813 174.900 -0.532 0.000 1.085 71 G CA 0.161 44.396 45.100 -1.441 0.000 0.845 71 G HN 0.629 nan 8.290 nan 0.000 0.494 72 A N 0.499 123.166 122.820 -0.255 0.000 2.431 72 A HA 0.806 5.126 4.320 0.000 0.000 0.318 72 A C -1.921 175.634 177.584 -0.048 0.000 1.330 72 A CA -1.492 50.490 52.037 -0.091 0.000 0.804 72 A CB 1.464 20.480 19.000 0.026 0.000 1.135 72 A HN 0.157 nan 8.150 nan 0.000 0.483 73 P HA 0.103 nan 4.420 nan 0.000 0.267 73 P C 0.056 177.358 177.300 0.003 0.000 1.200 73 P CA -0.249 62.841 63.100 -0.017 0.000 0.772 73 P CB 0.481 32.174 31.700 -0.011 0.000 0.855 74 L N 2.662 123.890 121.223 0.007 0.000 2.499 74 L HA 0.233 4.573 4.340 0.000 0.000 0.273 74 L C 0.867 177.746 176.870 0.014 0.000 1.195 74 L CA 0.809 55.658 54.840 0.014 0.000 0.882 74 L CB -0.174 41.893 42.059 0.013 0.000 1.133 74 L HN 0.519 nan 8.230 nan 0.000 0.483 75 A N 4.109 126.934 122.820 0.009 0.000 2.141 75 A HA 0.834 5.154 4.320 0.000 0.000 0.201 75 A C 0.520 178.120 177.584 0.026 0.000 1.344 75 A CA 0.569 52.611 52.037 0.008 0.000 0.971 75 A CB 0.022 19.015 19.000 -0.012 0.000 1.035 75 A HN 0.999 nan 8.150 nan 0.000 0.480 76 A N 0.002 122.843 122.820 0.035 0.000 2.609 76 A HA 0.775 5.095 4.320 0.000 0.000 0.291 76 A C -0.812 176.898 177.584 0.210 0.000 1.096 76 A CA -0.447 51.670 52.037 0.132 0.000 0.684 76 A CB 1.062 20.153 19.000 0.152 0.000 1.282 76 A HN 0.810 nan 8.150 nan 0.000 0.412 77 R N -0.526 120.141 120.500 0.278 0.000 2.629 77 R HA 0.780 5.120 4.340 0.000 0.000 0.266 77 R C -1.660 174.579 176.300 -0.102 0.000 1.051 77 R CA -0.302 55.887 56.100 0.148 0.000 0.895 77 R CB 1.543 31.874 30.300 0.051 0.000 1.246 77 R HN 1.033 nan 8.270 nan 0.000 0.459 78 S N 1.170 116.660 115.700 -0.351 0.000 2.775 78 S HA 0.490 4.960 4.470 0.000 0.000 0.277 78 S C -1.703 172.692 174.600 -0.342 0.000 1.156 78 S CA -0.329 57.529 58.200 -0.569 0.000 1.081 78 S CB 0.735 63.172 63.200 -1.272 0.000 1.054 78 S HN 0.816 nan 8.310 nan 0.000 0.482 79 D N 2.843 123.122 120.400 -0.202 0.000 3.145 79 D HA 0.248 4.888 4.640 0.000 0.000 0.345 79 D C 1.019 177.297 176.300 -0.036 0.000 1.391 79 D CA -0.853 53.120 54.000 -0.044 0.000 0.930 79 D CB -0.294 40.535 40.800 0.049 0.000 1.451 79 D HN 0.348 nan 8.370 nan 0.000 0.555 80 L N 0.114 121.348 121.223 0.019 0.000 2.043 80 L HA -0.187 4.154 4.340 0.000 0.000 0.212 80 L C 2.283 179.096 176.870 -0.094 0.000 1.075 80 L CA 2.208 56.963 54.840 -0.142 0.000 0.752 80 L CB -0.643 41.278 42.059 -0.229 0.000 0.891 80 L HN 0.603 nan 8.230 nan 0.000 0.432 81 S N -2.951 112.718 115.700 -0.051 0.000 2.500 81 S HA -0.170 4.300 4.470 0.000 0.000 0.239 81 S C 1.668 176.234 174.600 -0.057 0.000 0.989 81 S CA 1.473 59.645 58.200 -0.046 0.000 0.951 81 S CB -0.242 62.943 63.200 -0.025 0.000 0.759 81 S HN 0.409 nan 8.310 nan 0.000 0.523 82 T N -0.594 113.912 114.554 -0.079 0.000 3.040 82 T HA 0.501 4.851 4.350 0.000 0.000 0.266 82 T C 1.046 175.685 174.700 -0.101 0.000 1.005 82 T CA 0.649 62.697 62.100 -0.088 0.000 0.906 82 T CB -0.379 68.421 68.868 -0.113 0.000 1.082 82 T HN 0.953 nan 8.240 nan 0.000 0.531 83 G N 2.045 110.780 108.800 -0.108 0.000 2.179 83 G HA2 -0.193 3.767 3.960 0.000 0.000 0.220 83 G HA3 -0.193 3.767 3.960 0.000 0.000 0.220 83 G C -0.083 174.736 174.900 -0.135 0.000 0.990 83 G CA -0.024 45.011 45.100 -0.109 0.000 0.646 83 G HN 0.612 nan 8.290 nan 0.000 0.517 84 N N 0.960 119.556 118.700 -0.172 0.000 2.485 84 N HA 0.479 5.220 4.740 0.000 0.000 0.243 84 N C 1.149 176.554 175.510 -0.175 0.000 0.987 84 N CA 0.282 53.200 53.050 -0.219 0.000 0.940 84 N CB 1.277 39.540 38.487 -0.374 0.000 1.122 84 N HN 0.397 nan 8.380 nan 0.000 0.509 85 S N 1.963 117.562 115.700 -0.168 0.000 2.557 85 S HA 0.273 4.743 4.470 0.000 0.000 0.223 85 S C 1.217 175.788 174.600 -0.048 0.000 0.969 85 S CA 0.110 58.162 58.200 -0.246 0.000 0.927 85 S CB 0.270 63.336 63.200 -0.224 0.000 0.806 85 S HN 0.469 nan 8.310 nan 0.000 0.489 86 A N 1.614 124.460 122.820 0.043 0.000 1.901 86 A HA 0.401 4.721 4.320 0.000 0.000 0.210 86 A C 0.759 178.458 177.584 0.191 0.000 1.208 86 A CA 0.782 52.909 52.037 0.150 0.000 0.644 86 A CB -0.391 18.687 19.000 0.130 0.000 0.863 86 A HN 0.897 nan 8.150 nan 0.000 0.454 87 H N -3.611 115.408 119.070 -0.086 0.000 2.961 87 H HA 0.773 5.330 4.556 0.000 0.000 0.371 87 H C -0.824 174.229 175.328 -0.458 0.000 1.190 87 H CA -0.565 55.153 56.048 -0.550 0.000 1.138 87 H CB 1.207 30.191 29.762 -1.297 0.000 1.816 87 H HN 0.232 nan 8.280 nan 0.000 0.551 88 A N 1.812 124.303 122.820 -0.548 0.000 2.276 88 A HA 0.656 4.977 4.320 0.000 0.000 0.316 88 A C -0.723 176.794 177.584 -0.111 0.000 1.229 88 A CA -0.586 51.239 52.037 -0.352 0.000 0.851 88 A CB 0.594 19.298 19.000 -0.494 0.000 1.165 88 A HN 0.652 nan 8.150 nan 0.000 0.513 89 S N 1.595 117.286 115.700 -0.016 0.000 2.594 89 S HA 0.636 5.106 4.470 0.000 0.000 0.296 89 S C -0.917 173.786 174.600 0.171 0.000 1.124 89 S CA -0.365 57.913 58.200 0.130 0.000 1.011 89 S CB 0.927 64.293 63.200 0.276 0.000 1.016 89 S HN 0.589 nan 8.310 nan 0.000 0.485 90 L N 3.250 124.592 121.223 0.199 0.000 2.356 90 L HA 0.630 4.970 4.340 0.000 0.000 0.277 90 L C -1.008 175.969 176.870 0.178 0.000 0.996 90 L CA -0.792 54.148 54.840 0.166 0.000 0.822 90 L CB 1.571 43.684 42.059 0.090 0.000 1.256 90 L HN 0.451 nan 8.230 nan 0.000 0.413 91 L N 4.547 125.802 121.223 0.053 0.000 2.280 91 L HA 0.544 4.884 4.340 0.000 0.000 0.287 91 L C -0.802 176.061 176.870 -0.012 0.000 1.023 91 L CA 0.000 54.764 54.840 -0.126 0.000 0.819 91 L CB 0.943 42.665 42.059 -0.561 0.000 1.212 91 L HN 0.467 nan 8.230 nan 0.000 0.420 92 L N 5.382 126.679 121.223 0.124 0.000 2.343 92 L HA 0.641 4.981 4.340 0.000 0.000 0.275 92 L C -0.104 176.827 176.870 0.102 0.000 1.056 92 L CA -0.676 54.247 54.840 0.140 0.000 0.804 92 L CB 1.572 43.788 42.059 0.262 0.000 1.203 92 L HN 0.661 nan 8.230 nan 0.000 0.440 93 R N 1.139 121.670 120.500 0.052 0.000 2.651 93 R HA 0.544 4.884 4.340 0.000 0.000 0.278 93 R C -1.558 174.747 176.300 0.009 0.000 1.010 93 R CA -0.342 55.771 56.100 0.021 0.000 0.896 93 R CB 2.202 32.492 30.300 -0.016 0.000 1.211 93 R HN 0.594 nan 8.270 nan 0.000 0.456 94 S N 2.347 118.043 115.700 -0.007 0.000 2.750 94 S HA 0.555 5.025 4.470 0.000 0.000 0.276 94 S C 0.131 174.712 174.600 -0.031 0.000 1.165 94 S CA 0.534 58.721 58.200 -0.022 0.000 1.047 94 S CB 1.003 64.186 63.200 -0.028 0.000 1.056 94 S HN 1.130 nan 8.310 nan 0.000 0.481 95 G N 4.257 113.048 108.800 -0.014 0.000 2.561 95 G HA2 -0.272 3.688 3.960 0.000 0.000 0.289 95 G HA3 -0.272 3.688 3.960 0.000 0.000 0.289 95 G C 0.857 175.750 174.900 -0.011 0.000 1.169 95 G CA 0.510 45.605 45.100 -0.009 0.000 0.980 95 G HN 1.231 nan 8.290 nan 0.000 0.550 96 S N 0.451 116.139 115.700 -0.019 0.000 2.556 96 S HA 0.377 4.847 4.470 0.000 0.000 0.216 96 S C 1.030 175.598 174.600 -0.053 0.000 0.970 96 S CA -0.183 58.014 58.200 -0.006 0.000 0.912 96 S CB 0.032 63.252 63.200 0.034 0.000 0.790 96 S HN 0.462 nan 8.310 nan 0.000 0.504 97 L N 2.698 123.833 121.223 -0.147 0.000 2.410 97 L HA 0.232 4.572 4.340 0.000 0.000 0.273 97 L C -0.337 176.418 176.870 -0.191 0.000 1.144 97 L CA 0.134 54.768 54.840 -0.344 0.000 0.863 97 L CB 0.825 42.638 42.059 -0.410 0.000 1.140 97 L HN 0.093 nan 8.230 nan 0.000 0.463 98 S N 4.147 119.753 115.700 -0.156 0.000 2.605 98 S HA 0.553 5.023 4.470 0.000 0.000 0.308 98 S C -0.849 173.689 174.600 -0.104 0.000 1.113 98 S CA -0.430 57.723 58.200 -0.077 0.000 1.049 98 S CB 1.096 64.260 63.200 -0.060 0.000 1.001 98 S HN 0.264 nan 8.310 nan 0.000 0.480 99 F N 2.610 122.557 119.950 -0.005 0.000 2.449 99 F HA 0.543 5.070 4.527 0.000 0.000 0.342 99 F C -0.385 175.302 175.800 -0.189 0.000 1.127 99 F CA -0.846 57.121 58.000 -0.056 0.000 0.975 99 F CB 1.332 40.352 39.000 0.033 0.000 1.146 99 F HN 0.352 nan 8.300 nan 0.000 0.444 100 L N 5.231 126.371 121.223 -0.139 0.000 2.296 100 L HA 0.604 4.944 4.340 0.000 0.000 0.286 100 L C -1.599 175.135 176.870 -0.226 0.000 1.023 100 L CA -0.395 54.349 54.840 -0.160 0.000 0.812 100 L CB 0.419 42.364 42.059 -0.190 0.000 1.223 100 L HN 0.325 nan 8.230 nan 0.000 0.421 101 F N 3.081 123.047 119.950 0.026 0.000 2.449 101 F HA 0.654 5.181 4.527 0.000 0.000 0.342 101 F C 0.279 176.108 175.800 0.048 0.000 1.127 101 F CA -0.418 57.598 58.000 0.026 0.000 0.975 101 F CB 2.124 41.103 39.000 -0.035 0.000 1.146 101 F HN 0.364 nan 8.300 nan 0.000 0.444 102 T N 2.569 117.252 114.554 0.216 0.000 2.886 102 T HA 0.841 5.192 4.350 0.000 0.000 0.292 102 T C -0.977 173.732 174.700 0.015 0.000 1.012 102 T CA -0.782 61.374 62.100 0.093 0.000 0.982 102 T CB 1.779 70.698 68.868 0.085 0.000 1.018 102 T HN 0.715 nan 8.240 nan 0.000 0.451 103 A N 4.037 126.776 122.820 -0.135 0.000 2.515 103 A HA 0.928 5.248 4.320 0.000 0.000 0.298 103 A C -2.998 174.431 177.584 -0.260 0.000 1.059 103 A CA -1.917 50.031 52.037 -0.148 0.000 0.698 103 A CB 1.559 20.497 19.000 -0.105 0.000 1.289 103 A HN 0.533 nan 8.150 nan 0.000 0.404 104 P HA 0.330 nan 4.420 nan 0.000 0.284 104 P C -1.071 176.163 177.300 -0.110 0.000 1.253 104 P CA 0.097 63.210 63.100 0.021 0.000 0.800 104 P CB 0.551 32.373 31.700 0.204 0.000 0.961 105 Y N 0.570 120.868 120.300 -0.003 0.000 2.298 105 Y HA 0.318 4.868 4.550 0.000 0.000 0.329 105 Y C 1.859 177.706 175.900 -0.087 0.000 1.293 105 Y CA -0.380 57.692 58.100 -0.046 0.000 1.388 105 Y CB 0.832 39.261 38.460 -0.052 0.000 1.309 105 Y HN 0.433 nan 8.280 nan 0.000 0.544 106 A N 0.374 123.199 122.820 0.007 0.000 1.909 106 A HA 0.127 4.447 4.320 0.000 0.000 0.210 106 A C 0.143 177.460 177.584 -0.445 0.000 1.273 106 A CA 0.476 52.316 52.037 -0.330 0.000 0.654 106 A CB -0.106 18.514 19.000 -0.633 0.000 0.945 106 A HN 0.720 nan 8.150 nan 0.000 0.471 107 H N -2.601 116.503 119.070 0.057 0.000 2.651 107 H HA 0.465 5.021 4.556 0.000 0.000 0.353 107 H C 1.099 176.425 175.328 -0.004 0.000 1.178 107 H CA -0.252 55.810 56.048 0.023 0.000 1.224 107 H CB 0.988 30.756 29.762 0.010 0.000 1.702 107 H HN 0.688 nan 8.280 nan 0.000 0.550 108 G N 0.176 109.038 108.800 0.104 0.000 2.175 108 G HA2 -0.303 3.657 3.960 0.000 0.000 0.265 108 G HA3 -0.303 3.657 3.960 0.000 0.000 0.265 108 G C 0.498 175.390 174.900 -0.014 0.000 0.979 108 G CA 0.324 45.437 45.100 0.022 0.000 0.663 108 G HN 0.927 nan 8.290 nan 0.000 0.533 109 A N 0.269 123.098 122.820 0.014 0.000 2.451 109 A HA 0.499 4.820 4.320 0.000 0.000 0.266 109 A C 0.262 177.863 177.584 0.028 0.000 1.119 109 A CA 0.689 52.742 52.037 0.027 0.000 0.786 109 A CB 0.417 19.466 19.000 0.083 0.000 1.061 109 A HN 0.456 nan 8.150 nan 0.000 0.503 110 D N 2.970 123.378 120.400 0.014 0.000 2.477 110 D HA 0.490 5.130 4.640 0.000 0.000 0.239 110 D C 1.167 177.492 176.300 0.041 0.000 1.102 110 D CA 0.242 54.252 54.000 0.018 0.000 0.901 110 D CB 0.780 41.576 40.800 -0.007 0.000 1.026 110 D HN 0.493 nan 8.370 nan 0.000 0.515 111 A N 3.684 126.547 122.820 0.071 0.000 2.001 111 A HA -0.261 4.059 4.320 0.000 0.000 0.224 111 A C 2.115 179.757 177.584 0.096 0.000 1.203 111 A CA 2.263 54.366 52.037 0.109 0.000 0.667 111 A CB -0.743 18.316 19.000 0.098 0.000 0.823 111 A HN 0.671 nan 8.150 nan 0.000 0.473 112 A N -0.919 121.938 122.820 0.062 0.000 2.178 112 A HA 0.040 4.360 4.320 0.000 0.000 0.218 112 A C 2.059 179.663 177.584 0.033 0.000 1.157 112 A CA 2.051 54.119 52.037 0.052 0.000 0.689 112 A CB -1.018 18.004 19.000 0.036 0.000 0.787 112 A HN 0.968 nan 8.150 nan 0.000 0.465 113 T N -3.221 111.340 114.554 0.012 0.000 3.086 113 T HA 0.533 4.883 4.350 0.000 0.000 0.250 113 T C 0.696 175.353 174.700 -0.071 0.000 1.074 113 T CA 0.363 62.443 62.100 -0.034 0.000 0.988 113 T CB -0.324 68.504 68.868 -0.067 0.000 0.988 113 T HN 0.585 nan 8.240 nan 0.000 0.530 114 A N 1.001 123.823 122.820 0.003 0.000 2.522 114 A HA 0.694 5.014 4.320 0.000 0.000 0.256 114 A C 1.750 179.390 177.584 0.093 0.000 1.086 114 A CA 0.121 52.181 52.037 0.038 0.000 0.763 114 A CB -0.206 18.990 19.000 0.327 0.000 1.024 114 A HN 0.617 nan 8.150 nan 0.000 0.502 115 A N 3.030 125.861 122.820 0.019 0.000 2.067 115 A HA 0.164 4.485 4.320 0.000 0.000 0.219 115 A C 0.852 178.578 177.584 0.237 0.000 1.158 115 A CA 0.746 52.821 52.037 0.063 0.000 0.661 115 A CB -0.185 18.722 19.000 -0.155 0.000 0.801 115 A HN 0.722 nan 8.150 nan 0.000 0.452 116 L N 0.165 121.604 121.223 0.359 0.000 2.297 116 L HA 0.247 4.587 4.340 0.000 0.000 0.277 116 L C -1.873 175.058 176.870 0.101 0.000 1.040 116 L CA -1.837 53.116 54.840 0.188 0.000 0.867 116 L CB 1.708 43.825 42.059 0.097 0.000 1.244 116 L HN 0.077 nan 8.230 nan 0.000 0.433 117 P HA -0.198 nan 4.420 nan 0.000 0.218 117 P C 1.390 178.453 177.300 -0.394 0.000 1.146 117 P CA 1.081 64.188 63.100 0.012 0.000 0.813 117 P CB 0.242 32.072 31.700 0.217 0.000 0.778 118 S N -2.472 112.715 115.700 -0.855 0.000 2.562 118 S HA -0.011 4.459 4.470 0.000 0.000 0.221 118 S C 0.536 174.968 174.600 -0.281 0.000 0.975 118 S CA -0.454 57.015 58.200 -1.219 0.000 0.918 118 S CB -1.229 61.261 63.200 -1.183 0.000 0.772 118 S HN -0.015 nan 8.310 nan 0.000 0.531 119 F N 3.459 123.293 119.950 -0.194 0.000 2.563 119 F HA 0.434 4.962 4.527 0.000 0.000 0.363 119 F C 0.378 176.144 175.800 -0.058 0.000 1.123 119 F CA -0.125 57.840 58.000 -0.058 0.000 1.307 119 F CB 0.771 39.661 39.000 -0.184 0.000 1.115 119 F HN 0.113 nan 8.300 nan 0.000 0.592 120 S N 5.304 120.320 115.700 -1.141 0.000 2.756 120 S HA 0.609 5.079 4.470 0.000 0.000 0.303 120 S C 0.510 174.301 174.600 -1.348 0.000 1.135 120 S CA -0.246 57.431 58.200 -0.872 0.000 1.066 120 S CB 0.882 63.863 63.200 -0.365 0.000 1.008 120 S HN 1.050 nan 8.310 nan 0.000 0.482 121 A N 5.038 127.275 122.820 -0.972 0.000 1.892 121 A HA 0.053 4.373 4.320 0.000 0.000 0.218 121 A C 2.340 179.673 177.584 -0.418 0.000 1.188 121 A CA 2.154 53.842 52.037 -0.582 0.000 0.631 121 A CB -1.317 17.622 19.000 -0.101 0.000 0.822 121 A HN 1.318 nan 8.150 nan 0.000 0.447 122 A N -0.298 122.344 122.820 -0.296 0.000 1.877 122 A HA 0.141 4.461 4.320 0.000 0.000 0.216 122 A C 2.538 180.010 177.584 -0.186 0.000 1.186 122 A CA 2.284 54.212 52.037 -0.181 0.000 0.620 122 A CB -1.090 17.843 19.000 -0.112 0.000 0.822 122 A HN 1.129 nan 8.150 nan 0.000 0.443 123 A N -0.193 122.483 122.820 -0.239 0.000 1.902 123 A HA 0.159 4.479 4.320 0.000 0.000 0.217 123 A C 2.521 180.016 177.584 -0.148 0.000 1.181 123 A CA 2.167 54.142 52.037 -0.103 0.000 0.623 123 A CB -1.055 17.950 19.000 0.008 0.000 0.818 123 A HN 1.067 nan 8.150 nan 0.000 0.443 124 A N -0.423 121.973 122.820 -0.707 0.000 1.877 124 A HA -0.175 4.145 4.320 0.000 0.000 0.216 124 A C 2.264 179.745 177.584 -0.172 0.000 1.186 124 A CA 1.611 53.173 52.037 -0.792 0.000 0.620 124 A CB -0.512 17.769 19.000 -1.199 0.000 0.822 124 A HN 0.520 nan 8.150 nan 0.000 0.443 125 R N -1.079 119.319 120.500 -0.171 0.000 2.091 125 R HA -0.150 4.190 4.340 0.000 0.000 0.238 125 R C 2.565 178.863 176.300 -0.004 0.000 1.136 125 R CA 1.731 57.795 56.100 -0.060 0.000 0.959 125 R CB -0.277 29.979 30.300 -0.074 0.000 0.856 125 R HN 0.604 nan 8.270 nan 0.000 0.437 126 R N -0.200 120.301 120.500 0.001 0.000 2.092 126 R HA -0.148 4.192 4.340 0.000 0.000 0.231 126 R C 2.078 178.398 176.300 0.033 0.000 1.119 126 R CA 1.364 57.469 56.100 0.008 0.000 0.970 126 R CB -0.316 29.993 30.300 0.014 0.000 0.864 126 R HN 0.154 nan 8.270 nan 0.000 0.440 127 F N 1.113 121.063 119.950 0.001 0.000 2.069 127 F HA -0.188 4.339 4.527 0.000 0.000 0.298 127 F C 2.226 178.032 175.800 0.010 0.000 1.113 127 F CA 1.880 59.919 58.000 0.065 0.000 1.214 127 F CB -0.463 38.778 39.000 0.401 0.000 0.978 127 F HN 0.135 nan 8.300 nan 0.000 0.474 128 A N 0.204 123.190 122.820 0.276 0.000 1.908 128 A HA -0.145 4.175 4.320 0.000 0.000 0.218 128 A C 2.341 179.924 177.584 -0.003 0.000 1.181 128 A CA 2.013 54.145 52.037 0.159 0.000 0.627 128 A CB -1.571 17.523 19.000 0.157 0.000 0.818 128 A HN 0.523 nan 8.150 nan 0.000 0.445 129 A N -0.661 122.133 122.820 -0.044 0.000 1.929 129 A HA -0.114 4.206 4.320 0.000 0.000 0.216 129 A C 1.911 179.393 177.584 -0.169 0.000 1.176 129 A CA 1.812 53.803 52.037 -0.077 0.000 0.628 129 A CB -0.517 18.448 19.000 -0.059 0.000 0.816 129 A HN 0.474 nan 8.150 nan 0.000 0.444 130 D N -0.563 119.651 120.400 -0.310 0.000 2.092 130 D HA -0.158 4.482 4.640 0.000 0.000 0.193 130 D C 1.319 177.237 176.300 -0.638 0.000 0.994 130 D CA 1.682 55.350 54.000 -0.553 0.000 0.828 130 D CB -0.160 40.104 40.800 -0.893 0.000 0.963 130 D HN 0.727 nan 8.370 nan 0.000 0.450 131 H N -1.867 116.968 119.070 -0.390 0.000 2.986 131 H HA 0.466 5.022 4.556 0.000 0.000 0.267 131 H C 1.251 176.481 175.328 -0.163 0.000 1.072 131 H CA -0.018 55.778 56.048 -0.419 0.000 1.202 131 H CB 1.102 30.456 29.762 -0.680 0.000 1.535 131 H HN 0.248 nan 8.280 nan 0.000 0.522 132 G N 1.577 110.377 108.800 -0.001 0.000 2.598 132 G HA2 -0.313 3.647 3.960 0.000 0.000 0.244 132 G HA3 -0.313 3.647 3.960 0.000 0.000 0.244 132 G C -0.603 174.388 174.900 0.151 0.000 1.302 132 G CA -0.393 44.753 45.100 0.077 0.000 0.903 132 G HN 0.272 nan 8.290 nan 0.000 0.575 133 L N 1.179 122.513 121.223 0.185 0.000 2.534 133 L HA 0.551 4.892 4.340 0.000 0.000 0.271 133 L C 0.813 177.839 176.870 0.261 0.000 1.178 133 L CA 1.691 56.673 54.840 0.238 0.000 0.907 133 L CB -0.117 42.087 42.059 0.242 0.000 1.164 133 L HN 2.096 nan 8.230 nan 0.000 0.482 134 A N 4.081 127.105 122.820 0.341 0.000 2.610 134 A HA 0.664 4.984 4.320 0.000 0.000 0.291 134 A C -1.325 176.514 177.584 0.424 0.000 1.086 134 A CA -0.687 51.569 52.037 0.365 0.000 0.677 134 A CB 1.086 20.277 19.000 0.318 0.000 1.278 134 A HN 0.347 nan 8.150 nan 0.000 0.414 135 V N 1.874 121.966 119.914 0.297 0.000 2.455 135 V HA 0.269 4.390 4.120 0.000 0.000 0.273 135 V C 1.414 177.613 176.094 0.175 0.000 1.045 135 V CA 0.446 62.840 62.300 0.157 0.000 0.976 135 V CB 0.837 32.692 31.823 0.053 0.000 0.993 135 V HN 1.037 nan 8.190 nan 0.000 0.475 136 R N 4.807 125.210 120.500 -0.163 0.000 2.146 136 R HA 0.413 4.753 4.340 0.000 0.000 0.206 136 R C 0.525 176.534 176.300 -0.485 0.000 1.049 136 R CA 1.161 56.915 56.100 -0.576 0.000 1.029 136 R CB 0.269 29.687 30.300 -1.471 0.000 0.949 136 R HN 0.718 nan 8.270 nan 0.000 0.471 137 A N 0.511 123.095 122.820 -0.394 0.000 2.374 137 A HA 0.646 4.966 4.320 0.000 0.000 0.305 137 A C -1.457 175.969 177.584 -0.263 0.000 1.053 137 A CA -0.711 51.134 52.037 -0.319 0.000 0.726 137 A CB 2.080 20.910 19.000 -0.283 0.000 1.229 137 A HN 0.025 nan 8.150 nan 0.000 0.431 138 V N 2.260 122.015 119.914 -0.266 0.000 2.328 138 V HA 0.615 4.736 4.120 0.000 0.000 0.278 138 V C 0.510 176.473 176.094 -0.218 0.000 1.021 138 V CA -0.163 61.988 62.300 -0.249 0.000 0.838 138 V CB 1.033 32.744 31.823 -0.187 0.000 0.999 138 V HN 1.144 nan 8.190 nan 0.000 0.447 139 A N 6.895 129.529 122.820 -0.310 0.000 2.304 139 A HA 0.890 5.210 4.320 0.000 0.000 0.323 139 A C -0.716 176.856 177.584 -0.020 0.000 1.195 139 A CA -0.482 51.385 52.037 -0.285 0.000 0.826 139 A CB 0.651 19.154 19.000 -0.827 0.000 1.184 139 A HN 0.796 nan 8.150 nan 0.000 0.496 140 L N 2.003 123.293 121.223 0.113 0.000 2.346 140 L HA 0.586 4.927 4.340 0.000 0.000 0.274 140 L C 0.534 177.509 176.870 0.175 0.000 1.007 140 L CA -0.751 54.200 54.840 0.184 0.000 0.818 140 L CB 1.759 43.967 42.059 0.248 0.000 1.284 140 L HN 0.849 nan 8.230 nan 0.000 0.424 141 R N 2.172 122.759 120.500 0.146 0.000 2.308 141 R HA 0.615 4.955 4.340 0.000 0.000 0.305 141 R C -0.874 175.414 176.300 -0.021 0.000 1.053 141 R CA -0.400 55.731 56.100 0.053 0.000 0.957 141 R CB 1.190 31.533 30.300 0.072 0.000 1.022 141 R HN 0.561 nan 8.270 nan 0.000 0.461 142 V N 0.686 120.562 119.914 -0.064 0.000 3.126 142 V HA 0.638 4.758 4.120 0.000 0.000 0.314 142 V C 0.760 176.771 176.094 -0.137 0.000 1.138 142 V CA -0.231 62.023 62.300 -0.077 0.000 1.034 142 V CB 1.432 33.223 31.823 -0.054 0.000 1.075 142 V HN 0.876 nan 8.190 nan 0.000 0.442 143 A N 0.128 122.892 122.820 -0.093 0.000 1.902 143 A HA 0.021 4.341 4.320 0.000 0.000 0.217 143 A C 0.940 178.484 177.584 -0.067 0.000 1.181 143 A CA 2.200 54.202 52.037 -0.057 0.000 0.623 143 A CB -0.476 18.586 19.000 0.104 0.000 0.818 143 A HN 1.032 nan 8.150 nan 0.000 0.443 144 D N -2.636 117.736 120.400 -0.048 0.000 2.602 144 D HA 0.568 5.208 4.640 0.000 0.000 0.245 144 D C 0.585 176.842 176.300 -0.072 0.000 1.325 144 D CA 0.287 54.257 54.000 -0.051 0.000 0.952 144 D CB 1.624 42.409 40.800 -0.026 0.000 1.317 144 D HN 0.063 nan 8.370 nan 0.000 0.577 145 A N 3.594 126.390 122.820 -0.041 0.000 1.933 145 A HA -0.156 4.165 4.320 0.000 0.000 0.218 145 A C 1.789 179.377 177.584 0.007 0.000 1.175 145 A CA 1.641 53.676 52.037 -0.002 0.000 0.628 145 A CB -0.298 18.741 19.000 0.066 0.000 0.814 145 A HN 0.700 nan 8.150 nan 0.000 0.444 146 E N -0.315 119.881 120.200 -0.005 0.000 2.077 146 E HA -0.269 4.081 4.350 0.000 0.000 0.193 146 E C 1.652 178.272 176.600 0.033 0.000 0.989 146 E CA 1.510 57.913 56.400 0.006 0.000 0.800 146 E CB -0.185 29.507 29.700 -0.014 0.000 0.746 146 E HN 0.584 nan 8.360 nan 0.000 0.452 147 D N -0.354 120.039 120.400 -0.011 0.000 2.183 147 D HA -0.052 4.588 4.640 0.000 0.000 0.203 147 D C 1.804 178.043 176.300 -0.102 0.000 0.969 147 D CA 1.340 55.330 54.000 -0.016 0.000 0.842 147 D CB -0.074 40.724 40.800 -0.002 0.000 0.957 147 D HN 0.269 nan 8.370 nan 0.000 0.484 148 A N -0.427 122.221 122.820 -0.286 0.000 1.933 148 A HA -0.085 4.235 4.320 0.000 0.000 0.218 148 A C 2.117 179.327 177.584 -0.623 0.000 1.175 148 A CA 1.102 52.591 52.037 -0.914 0.000 0.628 148 A CB -1.099 16.948 19.000 -1.588 0.000 0.814 148 A HN 0.430 nan 8.150 nan 0.000 0.444 149 F N 0.514 120.302 119.950 -0.270 0.000 2.060 149 F HA -0.135 4.392 4.527 0.000 0.000 0.295 149 F C 2.383 178.128 175.800 -0.091 0.000 1.120 149 F CA 2.071 60.040 58.000 -0.051 0.000 1.205 149 F CB -0.354 38.642 39.000 -0.008 0.000 0.986 149 F HN 0.204 nan 8.300 nan 0.000 0.470 150 R N 0.616 121.198 120.500 0.136 0.000 2.112 150 R HA -0.238 4.103 4.340 0.000 0.000 0.242 150 R C 2.251 178.507 176.300 -0.074 0.000 1.137 150 R CA 1.854 57.972 56.100 0.031 0.000 0.944 150 R CB -0.899 29.450 30.300 0.081 0.000 0.857 150 R HN 0.425 nan 8.270 nan 0.000 0.435 151 A N -0.264 122.527 122.820 -0.048 0.000 2.015 151 A HA -0.077 4.243 4.320 0.000 0.000 0.219 151 A C 2.172 179.763 177.584 0.011 0.000 1.163 151 A CA 1.663 53.707 52.037 0.012 0.000 0.646 151 A CB -0.284 18.783 19.000 0.112 0.000 0.806 151 A HN 0.454 nan 8.150 nan 0.000 0.448 152 S N -0.418 115.232 115.700 -0.083 0.000 2.357 152 S HA -0.121 4.349 4.470 0.000 0.000 0.221 152 S C 2.080 176.535 174.600 -0.242 0.000 1.031 152 S CA 1.532 59.694 58.200 -0.064 0.000 0.982 152 S CB -0.610 62.504 63.200 -0.144 0.000 0.853 152 S HN 0.804 nan 8.310 nan 0.000 0.458 153 V N 0.748 120.406 119.914 -0.426 0.000 2.427 153 V HA 0.017 4.137 4.120 0.000 0.000 0.248 153 V C 2.267 178.252 176.094 -0.182 0.000 1.051 153 V CA 1.456 63.517 62.300 -0.398 0.000 1.048 153 V CB -1.472 29.997 31.823 -0.589 0.000 0.666 153 V HN 0.397 nan 8.190 nan 0.000 0.456 154 A N 0.590 123.335 122.820 -0.125 0.000 2.070 154 A HA 0.307 4.627 4.320 0.000 0.000 0.220 154 A C 2.137 179.713 177.584 -0.013 0.000 1.159 154 A CA 1.667 53.675 52.037 -0.049 0.000 0.656 154 A CB -0.651 18.335 19.000 -0.025 0.000 0.800 154 A HN 1.100 nan 8.150 nan 0.000 0.453 155 A N -2.074 120.746 122.820 0.001 0.000 2.507 155 A HA 0.487 4.807 4.320 0.000 0.000 0.270 155 A C 1.431 179.061 177.584 0.077 0.000 1.318 155 A CA 0.898 52.965 52.037 0.049 0.000 0.924 155 A CB -0.716 18.333 19.000 0.081 0.000 1.061 155 A HN 1.719 nan 8.150 nan 0.000 0.516 156 G N -1.520 107.303 108.800 0.039 0.000 2.218 156 G HA2 0.117 4.077 3.960 0.000 0.000 0.216 156 G HA3 0.117 4.077 3.960 0.000 0.000 0.216 156 G C 0.593 175.550 174.900 0.095 0.000 0.994 156 G CA -0.005 45.154 45.100 0.098 0.000 0.637 156 G HN 1.641 nan 8.290 nan 0.000 0.505 157 A N 0.220 122.936 122.820 -0.173 0.000 2.531 157 A HA 0.616 4.937 4.320 0.000 0.000 0.236 157 A C 0.678 178.141 177.584 -0.201 0.000 1.062 157 A CA 0.672 52.407 52.037 -0.504 0.000 0.760 157 A CB 0.134 18.415 19.000 -1.198 0.000 0.995 157 A HN 0.550 nan 8.150 nan 0.000 0.501 158 R N 2.752 123.227 120.500 -0.041 0.000 2.221 158 R HA 0.367 4.707 4.340 0.000 0.000 0.327 158 R C -2.454 173.781 176.300 -0.109 0.000 1.033 158 R CA -1.543 54.527 56.100 -0.050 0.000 0.887 158 R CB 0.863 31.152 30.300 -0.017 0.000 1.057 158 R HN 0.550 nan 8.270 nan 0.000 0.455 159 P HA 0.012 nan 4.420 nan 0.000 0.271 159 P C -0.633 176.726 177.300 0.098 0.000 1.216 159 P CA 0.148 63.272 63.100 0.040 0.000 0.776 159 P CB 1.706 33.510 31.700 0.172 0.000 0.881 160 A N 2.702 125.615 122.820 0.155 0.000 2.074 160 A HA 0.354 4.674 4.320 0.000 0.000 0.200 160 A C -0.037 177.691 177.584 0.240 0.000 1.335 160 A CA 0.366 52.480 52.037 0.129 0.000 0.922 160 A CB 0.257 19.286 19.000 0.048 0.000 0.972 160 A HN 0.475 nan 8.150 nan 0.000 0.475 161 F N -0.178 119.795 119.950 0.039 0.000 2.881 161 F HA 0.525 5.052 4.527 0.000 0.000 0.348 161 F C 0.405 176.088 175.800 -0.195 0.000 1.240 161 F CA -0.773 57.203 58.000 -0.041 0.000 1.130 161 F CB 0.529 39.505 39.000 -0.039 0.000 1.417 161 F HN 0.232 nan 8.300 nan 0.000 0.585 162 G N 4.654 113.014 108.800 -0.733 0.000 2.630 162 G HA2 0.342 4.303 3.960 0.000 0.000 0.236 162 G HA3 0.342 4.303 3.960 0.000 0.000 0.236 162 G C -2.747 171.645 174.900 -0.847 0.000 1.248 162 G CA -0.960 43.554 45.100 -0.976 0.000 0.844 162 G HN 0.406 nan 8.290 nan 0.000 0.588 163 P HA 0.288 nan 4.420 nan 0.000 0.268 163 P C -0.162 176.992 177.300 -0.243 0.000 1.205 163 P CA -0.098 62.771 63.100 -0.384 0.000 0.771 163 P CB 1.168 32.679 31.700 -0.316 0.000 0.858 164 V N -0.542 119.321 119.914 -0.085 0.000 3.147 164 V HA 0.586 4.706 4.120 0.000 0.000 0.306 164 V C -1.062 175.058 176.094 0.043 0.000 1.209 164 V CA -0.930 61.361 62.300 -0.016 0.000 1.023 164 V CB 2.598 34.463 31.823 0.071 0.000 1.059 164 V HN 0.208 nan 8.190 nan 0.000 0.435 165 D N 1.676 122.105 120.400 0.048 0.000 2.175 165 D HA 0.565 5.206 4.640 0.000 0.000 0.248 165 D C 0.574 176.931 176.300 0.096 0.000 1.047 165 D CA -0.186 53.859 54.000 0.075 0.000 0.883 165 D CB 2.471 43.305 40.800 0.057 0.000 1.180 165 D HN 0.628 nan 8.370 nan 0.000 0.438 166 L N 0.685 121.985 121.223 0.128 0.000 2.609 166 L HA 0.319 4.659 4.340 0.000 0.000 0.230 166 L C 1.083 178.004 176.870 0.085 0.000 1.087 166 L CA -0.015 54.885 54.840 0.100 0.000 0.874 166 L CB 0.319 42.425 42.059 0.079 0.000 1.114 166 L HN 0.572 nan 8.230 nan 0.000 0.488 167 G N 0.065 108.945 108.800 0.133 0.000 2.428 167 G HA2 -0.045 3.916 3.960 0.000 0.000 0.681 167 G HA3 -0.045 3.916 3.960 0.000 0.000 0.681 167 G C -0.237 174.800 174.900 0.229 0.000 1.340 167 G CA -0.888 44.287 45.100 0.125 0.000 0.915 167 G HN 0.151 nan 8.290 nan 0.000 0.645 168 R N -0.787 119.825 120.500 0.187 0.000 3.502 168 R HA -0.105 4.235 4.340 0.000 0.000 0.266 168 R C 1.709 178.136 176.300 0.211 0.000 1.077 168 R CA 2.191 58.424 56.100 0.222 0.000 0.718 168 R CB -1.515 28.962 30.300 0.296 0.000 1.120 168 R HN 2.755 nan 8.270 nan 0.000 0.457 169 G N -1.680 107.203 108.800 0.138 0.000 2.162 169 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 169 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 169 G C 0.118 175.025 174.900 0.013 0.000 0.976 169 G CA 0.207 45.336 45.100 0.048 0.000 0.655 169 G HN 0.343 nan 8.290 nan 0.000 0.533 170 F N 1.342 121.329 119.950 0.062 0.000 2.427 170 F HA 0.633 5.161 4.527 0.000 0.000 0.352 170 F C 1.290 177.117 175.800 0.045 0.000 1.100 170 F CA -0.023 58.015 58.000 0.063 0.000 1.191 170 F CB 0.811 39.803 39.000 -0.012 0.000 1.128 170 F HN 0.001 nan 8.300 nan 0.000 0.533 171 R N 3.761 124.373 120.500 0.186 0.000 2.807 171 R HA 0.782 5.122 4.340 0.000 0.000 0.276 171 R C -1.624 174.754 176.300 0.130 0.000 0.979 171 R CA -1.180 54.995 56.100 0.124 0.000 0.928 171 R CB 2.698 33.032 30.300 0.055 0.000 1.191 171 R HN 0.649 nan 8.270 nan 0.000 0.471 172 L N 0.794 122.085 121.223 0.114 0.000 2.445 172 L HA 0.889 5.229 4.340 0.000 0.000 0.262 172 L C -1.723 175.218 176.870 0.119 0.000 0.974 172 L CA -0.399 54.515 54.840 0.122 0.000 0.822 172 L CB 2.160 44.295 42.059 0.127 0.000 1.339 172 L HN 0.873 nan 8.230 nan 0.000 0.409 173 A N 3.403 126.297 122.820 0.124 0.000 2.612 173 A HA 0.817 5.137 4.320 0.000 0.000 0.293 173 A C -1.727 175.890 177.584 0.056 0.000 1.075 173 A CA -0.562 51.530 52.037 0.092 0.000 0.680 173 A CB 1.999 21.048 19.000 0.082 0.000 1.279 173 A HN 0.722 nan 8.150 nan 0.000 0.411 174 E N -0.478 119.773 120.200 0.086 0.000 2.356 174 E HA 0.618 4.968 4.350 0.000 0.000 0.275 174 E C -1.141 175.462 176.600 0.006 0.000 0.904 174 E CA -0.930 55.439 56.400 -0.052 0.000 0.757 174 E CB 2.749 32.439 29.700 -0.016 0.000 1.232 174 E HN 1.104 nan 8.360 nan 0.000 0.442 175 V N -1.765 118.037 119.914 -0.187 0.000 3.114 175 V HA 0.507 4.627 4.120 0.000 0.000 0.308 175 V C -0.656 175.334 176.094 -0.174 0.000 1.168 175 V CA -1.111 61.070 62.300 -0.199 0.000 1.015 175 V CB 1.892 33.443 31.823 -0.452 0.000 1.050 175 V HN 0.635 nan 8.190 nan 0.000 0.433 176 E N 1.190 121.333 120.200 -0.095 0.000 2.344 176 E HA 0.235 4.585 4.350 0.000 0.000 0.270 176 E C -0.073 176.576 176.600 0.082 0.000 1.021 176 E CA -0.261 56.129 56.400 -0.017 0.000 0.887 176 E CB 1.838 31.549 29.700 0.018 0.000 0.997 176 E HN 0.652 nan 8.360 nan 0.000 0.429 177 L N 4.467 125.654 121.223 -0.060 0.000 2.296 177 L HA 0.128 4.469 4.340 0.000 0.000 0.193 177 L C -0.492 176.339 176.870 -0.066 0.000 1.123 177 L CA 1.222 55.938 54.840 -0.207 0.000 0.805 177 L CB 0.262 41.882 42.059 -0.732 0.000 1.004 177 L HN 0.574 nan 8.230 nan 0.000 0.478 178 Y N -1.735 118.580 120.300 0.024 0.000 2.482 178 Y HA 0.658 5.208 4.550 0.000 0.000 0.334 178 Y C 0.425 176.353 175.900 0.048 0.000 1.091 178 Y CA -1.442 56.680 58.100 0.037 0.000 1.027 178 Y CB 0.049 38.513 38.460 0.007 0.000 1.306 178 Y HN 0.488 nan 8.280 nan 0.000 0.446 179 G N 2.495 111.444 108.800 0.249 0.000 2.596 179 G HA2 -0.361 3.599 3.960 0.000 0.000 0.295 179 G HA3 -0.361 3.599 3.960 0.000 0.000 0.295 179 G C -0.004 175.004 174.900 0.180 0.000 1.240 179 G CA 0.913 46.141 45.100 0.213 0.000 0.985 179 G HN 1.250 nan 8.290 nan 0.000 0.555 180 D N 0.141 120.683 120.400 0.237 0.000 2.460 180 D HA 0.393 5.034 4.640 0.000 0.000 0.229 180 D C 0.588 176.991 176.300 0.171 0.000 1.170 180 D CA -0.063 54.077 54.000 0.234 0.000 0.827 180 D CB 0.193 41.230 40.800 0.394 0.000 0.973 180 D HN 0.488 nan 8.370 nan 0.000 0.496 181 V N 0.848 120.814 119.914 0.088 0.000 2.481 181 V HA 0.447 4.567 4.120 0.000 0.000 0.286 181 V C 0.567 176.537 176.094 -0.207 0.000 1.042 181 V CA -1.025 61.232 62.300 -0.072 0.000 0.928 181 V CB 1.608 33.370 31.823 -0.102 0.000 0.986 181 V HN 0.254 nan 8.190 nan 0.000 0.462 182 V N 3.252 123.004 119.914 -0.270 0.000 2.769 182 V HA 0.644 4.764 4.120 0.000 0.000 0.312 182 V C -0.463 175.454 176.094 -0.295 0.000 1.058 182 V CA -0.954 61.192 62.300 -0.257 0.000 0.952 182 V CB 2.023 33.703 31.823 -0.238 0.000 1.019 182 V HN 0.726 nan 8.190 nan 0.000 0.445 183 L N 3.563 124.618 121.223 -0.281 0.000 2.265 183 L HA 0.592 4.932 4.340 0.000 0.000 0.289 183 L C 0.140 176.759 176.870 -0.418 0.000 1.033 183 L CA -0.498 54.177 54.840 -0.276 0.000 0.814 183 L CB 0.979 42.958 42.059 -0.134 0.000 1.203 183 L HN 0.958 nan 8.230 nan 0.000 0.423 184 R N 3.939 124.245 120.500 -0.322 0.000 2.407 184 R HA 0.395 4.736 4.340 0.000 0.000 0.303 184 R C -1.742 174.455 176.300 -0.171 0.000 0.981 184 R CA -0.476 55.451 56.100 -0.287 0.000 0.905 184 R CB 1.129 31.330 30.300 -0.165 0.000 1.099 184 R HN 0.411 nan 8.270 nan 0.000 0.459 185 Y N 2.606 122.904 120.300 -0.003 0.000 2.341 185 Y HA 0.450 5.000 4.550 0.000 0.000 0.337 185 Y C -0.233 175.657 175.900 -0.017 0.000 1.014 185 Y CA -0.941 57.150 58.100 -0.016 0.000 1.111 185 Y CB 2.065 40.491 38.460 -0.055 0.000 1.194 185 Y HN 0.188 nan 8.280 nan 0.000 0.462 186 V N 3.019 123.012 119.914 0.131 0.000 2.638 186 V HA 0.720 4.840 4.120 0.000 0.000 0.306 186 V C -0.725 175.382 176.094 0.021 0.000 1.052 186 V CA -0.791 61.539 62.300 0.050 0.000 0.885 186 V CB 2.035 33.784 31.823 -0.125 0.000 0.999 186 V HN 0.829 nan 8.190 nan 0.000 0.424 187 S N 4.339 120.066 115.700 0.044 0.000 2.564 187 S HA 0.973 5.443 4.470 0.000 0.000 0.274 187 S C -1.278 173.265 174.600 -0.095 0.000 1.124 187 S CA -0.711 57.418 58.200 -0.118 0.000 0.869 187 S CB 2.342 65.477 63.200 -0.109 0.000 1.105 187 S HN 1.250 nan 8.310 nan 0.000 0.472 188 Y N -2.746 117.340 120.300 -0.357 0.000 2.662 188 Y HA 0.706 5.256 4.550 0.000 0.000 0.334 188 Y C -3.474 172.223 175.900 -0.338 0.000 1.185 188 Y CA -2.114 55.640 58.100 -0.576 0.000 1.074 188 Y CB -0.347 37.275 38.460 -1.396 0.000 1.330 188 Y HN 0.517 nan 8.280 nan 0.000 0.458 189 P HA 0.091 nan 4.420 nan 0.000 0.267 189 P C 0.143 177.426 177.300 -0.027 0.000 1.200 189 P CA 0.191 63.246 63.100 -0.076 0.000 0.772 189 P CB 0.839 32.523 31.700 -0.026 0.000 0.855 190 D N 2.021 122.395 120.400 -0.044 0.000 2.182 190 D HA -0.108 4.532 4.640 0.000 0.000 0.201 190 D C 2.038 178.381 176.300 0.072 0.000 0.986 190 D CA 1.636 55.636 54.000 -0.001 0.000 0.847 190 D CB -0.508 40.285 40.800 -0.012 0.000 0.942 190 D HN 0.562 nan 8.370 nan 0.000 0.467 191 G N 0.031 108.866 108.800 0.058 0.000 2.679 191 G HA2 0.025 3.985 3.960 0.000 0.000 0.212 191 G HA3 0.025 3.985 3.960 0.000 0.000 0.212 191 G C 1.322 176.284 174.900 0.103 0.000 1.137 191 G CA 0.636 45.779 45.100 0.072 0.000 0.787 191 G HN 0.338 nan 8.290 nan 0.000 0.534 192 A N 0.288 123.188 122.820 0.134 0.000 2.308 192 A HA 0.657 4.978 4.320 0.000 0.000 0.217 192 A C 2.296 180.004 177.584 0.207 0.000 1.216 192 A CA 0.973 53.110 52.037 0.165 0.000 0.864 192 A CB -0.065 18.999 19.000 0.106 0.000 0.902 192 A HN 0.476 nan 8.150 nan 0.000 0.499 193 A N -0.296 122.672 122.820 0.246 0.000 2.234 193 A HA 0.136 4.456 4.320 0.000 0.000 0.216 193 A C 1.940 179.626 177.584 0.171 0.000 1.167 193 A CA 1.344 53.542 52.037 0.270 0.000 0.698 193 A CB -0.731 18.438 19.000 0.282 0.000 0.779 193 A HN 0.684 nan 8.150 nan 0.000 0.475 194 G N -0.758 108.126 108.800 0.141 0.000 2.813 194 G HA2 0.149 4.109 3.960 0.000 0.000 0.209 194 G HA3 0.149 4.109 3.960 0.000 0.000 0.209 194 G C 0.502 175.459 174.900 0.096 0.000 1.150 194 G CA 0.344 45.509 45.100 0.107 0.000 0.785 194 G HN 0.564 nan 8.290 nan 0.000 0.535 195 E N 0.955 121.222 120.200 0.112 0.000 2.414 195 E HA 0.168 4.518 4.350 0.000 0.000 0.263 195 E C -0.996 175.630 176.600 0.043 0.000 1.000 195 E CA -1.203 55.230 56.400 0.056 0.000 0.914 195 E CB 1.055 30.767 29.700 0.019 0.000 0.948 195 E HN -0.007 nan 8.360 nan 0.000 0.444 196 P HA -0.070 nan 4.420 nan 0.000 0.215 196 P C 0.161 177.532 177.300 0.118 0.000 1.157 196 P CA 1.428 64.572 63.100 0.074 0.000 0.874 196 P CB 0.094 31.847 31.700 0.088 0.000 0.790 197 F N -3.981 115.868 119.950 -0.169 0.000 1.855 197 F HA 0.338 4.865 4.527 0.000 0.000 0.229 197 F C -1.087 174.484 175.800 -0.381 0.000 1.260 197 F CA -0.480 57.348 58.000 -0.287 0.000 1.277 197 F CB 0.371 39.043 39.000 -0.545 0.000 1.975 197 F HN -0.412 nan 8.300 nan 0.000 0.155 198 L N 1.440 122.265 121.223 -0.663 0.000 2.409 198 L HA 0.554 4.894 4.340 0.000 0.000 0.262 198 L C -2.606 174.023 176.870 -0.403 0.000 0.992 198 L CA -2.455 51.875 54.840 -0.850 0.000 0.817 198 L CB 1.423 42.949 42.059 -0.889 0.000 1.350 198 L HN -0.058 nan 8.230 nan 0.000 0.411 199 P HA 0.276 nan 4.420 nan 0.000 0.264 199 P C 0.564 177.865 177.300 0.001 0.000 1.183 199 P CA 1.191 64.152 63.100 -0.232 0.000 0.763 199 P CB 0.605 32.170 31.700 -0.224 0.000 0.807 200 G N 1.542 110.360 108.800 0.031 0.000 2.232 200 G HA2 -0.226 3.734 3.960 0.000 0.000 0.226 200 G HA3 -0.226 3.734 3.960 0.000 0.000 0.226 200 G C -0.128 174.778 174.900 0.010 0.000 0.996 200 G CA -0.609 44.501 45.100 0.018 0.000 0.626 200 G HN 0.400 nan 8.290 nan 0.000 0.509 201 F N 2.084 122.018 119.950 -0.027 0.000 2.408 201 F HA 0.584 5.112 4.527 0.000 0.000 0.344 201 F C 0.664 176.467 175.800 0.006 0.000 1.112 201 F CA -0.688 57.326 58.000 0.024 0.000 1.096 201 F CB 1.498 40.571 39.000 0.121 0.000 1.129 201 F HN 0.144 nan 8.300 nan 0.000 0.486 202 E N 2.043 122.331 120.200 0.147 0.000 2.283 202 E HA 0.429 4.779 4.350 0.000 0.000 0.278 202 E C 0.149 176.818 176.600 0.115 0.000 1.027 202 E CA -0.585 55.868 56.400 0.088 0.000 0.843 202 E CB 1.002 30.720 29.700 0.030 0.000 1.062 202 E HN 0.808 nan 8.360 nan 0.000 0.401 203 G N 2.071 110.922 108.800 0.084 0.000 2.483 203 G HA2 0.364 4.325 3.960 0.000 0.000 0.248 203 G HA3 0.364 4.325 3.960 0.000 0.000 0.248 203 G C -0.752 174.181 174.900 0.055 0.000 1.248 203 G CA -0.444 44.700 45.100 0.074 0.000 0.838 203 G HN 0.381 nan 8.290 nan 0.000 0.566 204 V N 1.316 121.259 119.914 0.049 0.000 2.531 204 V HA 0.638 4.758 4.120 0.000 0.000 0.301 204 V C 0.563 176.674 176.094 0.029 0.000 1.034 204 V CA -0.805 61.517 62.300 0.036 0.000 0.865 204 V CB 1.215 33.060 31.823 0.036 0.000 0.995 204 V HN 1.124 nan 8.190 nan 0.000 0.424 205 A N 3.562 126.397 122.820 0.025 0.000 2.302 205 A HA 0.744 5.064 4.320 0.000 0.000 0.285 205 A C 0.444 178.040 177.584 0.019 0.000 1.105 205 A CA -0.176 51.874 52.037 0.022 0.000 0.816 205 A CB 0.747 19.760 19.000 0.021 0.000 1.067 205 A HN 1.211 nan 8.150 nan 0.000 0.489 206 S N 1.372 117.083 115.700 0.018 0.000 2.252 206 S HA 0.486 4.956 4.470 0.000 0.000 0.187 206 S C -2.378 172.233 174.600 0.018 0.000 1.587 206 S CA -0.799 57.411 58.200 0.017 0.000 1.215 206 S CB 0.695 63.904 63.200 0.015 0.000 1.085 206 S HN 0.501 nan 8.310 nan 0.000 0.466 207 P HA 0.200 nan 4.420 nan 0.000 0.215 207 P C 1.159 178.470 177.300 0.017 0.000 1.160 207 P CA 0.609 63.718 63.100 0.016 0.000 0.869 207 P CB -0.138 31.571 31.700 0.014 0.000 0.782 208 G N -0.499 108.311 108.800 0.016 0.000 3.741 208 G HA2 0.504 4.464 3.960 0.000 0.000 0.263 208 G HA3 0.504 4.464 3.960 0.000 0.000 0.263 208 G C -0.249 174.665 174.900 0.023 0.000 1.175 208 G CA 0.201 45.311 45.100 0.018 0.000 1.642 208 G HN 0.469 nan 8.290 nan 0.000 0.644 209 A N -0.418 122.417 122.820 0.025 0.000 2.549 209 A HA 0.951 5.271 4.320 0.000 0.000 0.297 209 A C -0.649 176.954 177.584 0.032 0.000 1.061 209 A CA -0.116 51.938 52.037 0.028 0.000 0.690 209 A CB 1.737 20.748 19.000 0.019 0.000 1.287 209 A HN 1.471 nan 8.150 nan 0.000 0.402 210 A N 1.522 124.368 122.820 0.043 0.000 2.549 210 A HA 0.761 5.081 4.320 0.000 0.000 0.297 210 A C -0.903 176.709 177.584 0.047 0.000 1.061 210 A CA -0.132 51.937 52.037 0.054 0.000 0.690 210 A CB 1.133 20.180 19.000 0.078 0.000 1.287 210 A HN 1.211 nan 8.150 nan 0.000 0.402 211 D N -0.753 119.667 120.400 0.035 0.000 2.466 211 D HA 0.459 5.099 4.640 0.000 0.000 0.262 211 D C -0.255 176.150 176.300 0.174 0.000 1.177 211 D CA -0.241 53.743 54.000 -0.025 0.000 1.035 211 D CB 0.265 41.043 40.800 -0.038 0.000 1.105 211 D HN 0.334 nan 8.370 nan 0.000 0.551 212 Y N -1.167 119.153 120.300 0.033 0.000 2.485 212 Y HA 0.399 4.950 4.550 0.000 0.000 0.260 212 Y C 1.742 177.652 175.900 0.017 0.000 1.173 212 Y CA -0.389 57.727 58.100 0.027 0.000 1.252 212 Y CB 0.310 38.793 38.460 0.038 0.000 1.123 212 Y HN 0.775 nan 8.280 nan 0.000 0.524 213 G N -0.095 108.789 108.800 0.140 0.000 2.179 213 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 213 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 213 G C 0.013 174.942 174.900 0.048 0.000 0.990 213 G CA -0.331 44.817 45.100 0.080 0.000 0.646 213 G HN 0.199 nan 8.290 nan 0.000 0.517 214 L N 1.727 122.977 121.223 0.044 0.000 2.416 214 L HA 0.462 4.802 4.340 0.000 0.000 0.272 214 L C 1.750 178.607 176.870 -0.022 0.000 1.161 214 L CA 0.587 55.430 54.840 0.006 0.000 0.845 214 L CB 1.396 43.457 42.059 0.004 0.000 1.119 214 L HN 0.395 nan 8.230 nan 0.000 0.464 215 S N 2.222 117.898 115.700 -0.040 0.000 2.670 215 S HA 0.224 4.695 4.470 0.000 0.000 0.241 215 S C 0.322 174.880 174.600 -0.070 0.000 1.077 215 S CA -0.586 57.591 58.200 -0.039 0.000 0.899 215 S CB 0.549 63.745 63.200 -0.008 0.000 0.835 215 S HN 0.751 nan 8.310 nan 0.000 0.481 216 R N -0.586 119.853 120.500 -0.103 0.000 2.690 216 R HA 0.505 4.845 4.340 0.000 0.000 0.269 216 R C -1.836 174.356 176.300 -0.179 0.000 1.037 216 R CA -0.871 55.159 56.100 -0.117 0.000 0.877 216 R CB 0.082 30.394 30.300 0.020 0.000 1.255 216 R HN 0.112 nan 8.270 nan 0.000 0.467 217 F N 1.189 121.060 119.950 -0.132 0.000 2.484 217 F HA 0.060 4.587 4.527 0.000 0.000 0.360 217 F C 1.348 177.061 175.800 -0.146 0.000 1.101 217 F CA 0.457 58.273 58.000 -0.305 0.000 1.251 217 F CB 1.256 39.806 39.000 -0.751 0.000 1.132 217 F HN 0.815 nan 8.300 nan 0.000 0.570 218 D N 0.666 121.109 120.400 0.072 0.000 2.414 218 D HA -0.017 4.623 4.640 0.000 0.000 0.237 218 D C -0.191 176.316 176.300 0.345 0.000 0.975 218 D CA 0.644 54.754 54.000 0.184 0.000 0.917 218 D CB 0.374 41.255 40.800 0.135 0.000 1.061 218 D HN 0.556 nan 8.370 nan 0.000 0.480 219 H N -1.389 117.770 119.070 0.149 0.000 3.046 219 H HA 0.379 4.935 4.556 0.000 0.000 0.361 219 H C -1.364 173.944 175.328 -0.033 0.000 1.235 219 H CA -1.020 55.129 56.048 0.169 0.000 1.146 219 H CB 0.727 30.660 29.762 0.284 0.000 1.859 219 H HN -0.115 nan 8.280 nan 0.000 0.548 220 I N 2.881 123.484 120.570 0.056 0.000 2.439 220 I HA 0.228 4.398 4.170 0.000 0.000 0.285 220 I C -0.066 176.020 176.117 -0.053 0.000 1.021 220 I CA -0.781 60.444 61.300 -0.126 0.000 1.091 220 I CB 1.585 39.482 38.000 -0.171 0.000 1.242 220 I HN 0.343 nan 8.210 nan 0.000 0.439 221 V N 4.897 124.665 119.914 -0.244 0.000 2.435 221 V HA 0.795 4.915 4.120 0.000 0.000 0.290 221 V C 0.638 176.572 176.094 -0.267 0.000 1.030 221 V CA -0.483 61.668 62.300 -0.249 0.000 0.881 221 V CB 1.710 33.259 31.823 -0.457 0.000 0.983 221 V HN 0.909 nan 8.190 nan 0.000 0.445 222 G N 2.518 111.147 108.800 -0.285 0.000 2.448 222 G HA2 0.562 4.522 3.960 0.000 0.000 0.324 222 G HA3 0.562 4.522 3.960 0.000 0.000 0.324 222 G C -0.913 173.611 174.900 -0.627 0.000 1.203 222 G CA -0.663 44.059 45.100 -0.631 0.000 0.954 222 G HN 0.552 nan 8.290 nan 0.000 0.480 223 N N -0.123 118.167 118.700 -0.683 0.000 2.400 223 N HA 0.615 5.355 4.740 0.000 0.000 0.288 223 N C -0.102 175.218 175.510 -0.316 0.000 1.024 223 N CA -0.343 52.418 53.050 -0.483 0.000 0.894 223 N CB 2.156 40.257 38.487 -0.644 0.000 1.173 223 N HN 0.549 nan 8.380 nan 0.000 0.487 224 V N 0.160 119.968 119.914 -0.175 0.000 3.040 224 V HA 0.615 4.735 4.120 0.000 0.000 0.312 224 V C -2.241 173.863 176.094 0.017 0.000 1.115 224 V CA -1.899 60.363 62.300 -0.065 0.000 0.998 224 V CB 2.326 34.116 31.823 -0.054 0.000 1.042 224 V HN 0.314 nan 8.190 nan 0.000 0.433 225 P HA 0.108 nan 4.420 nan 0.000 0.217 225 P C -0.090 177.266 177.300 0.093 0.000 1.151 225 P CA 1.125 64.286 63.100 0.101 0.000 0.828 225 P CB 0.222 31.985 31.700 0.105 0.000 0.788 226 E N -1.614 118.630 120.200 0.072 0.000 2.278 226 E HA 0.227 4.578 4.350 0.000 0.000 0.272 226 E C 0.131 176.770 176.600 0.064 0.000 0.890 226 E CA -0.486 55.956 56.400 0.070 0.000 0.770 226 E CB 1.875 31.621 29.700 0.077 0.000 1.212 226 E HN -0.115 nan 8.360 nan 0.000 0.415 227 L N 1.940 123.196 121.223 0.055 0.000 1.976 227 L HA -0.204 4.137 4.340 0.000 0.000 0.209 227 L C 2.309 179.228 176.870 0.082 0.000 1.071 227 L CA 1.947 56.824 54.840 0.060 0.000 0.746 227 L CB -0.266 41.821 42.059 0.047 0.000 0.890 227 L HN 0.806 nan 8.230 nan 0.000 0.432 228 A N 0.638 123.501 122.820 0.073 0.000 1.869 228 A HA -0.208 4.112 4.320 0.000 0.000 0.218 228 A C -0.107 177.538 177.584 0.102 0.000 1.203 228 A CA 2.429 54.513 52.037 0.079 0.000 0.638 228 A CB -2.204 16.835 19.000 0.065 0.000 0.831 228 A HN 0.427 nan 8.150 nan 0.000 0.450 229 P HA -0.058 nan 4.420 nan 0.000 0.219 229 P C 1.517 178.926 177.300 0.182 0.000 1.150 229 P CA 1.784 64.959 63.100 0.125 0.000 0.814 229 P CB -0.132 31.624 31.700 0.094 0.000 0.787 230 A N 0.717 123.643 122.820 0.177 0.000 1.897 230 A HA 0.044 4.364 4.320 0.000 0.000 0.215 230 A C 2.511 180.284 177.584 0.314 0.000 1.181 230 A CA 1.887 54.075 52.037 0.250 0.000 0.620 230 A CB -1.474 17.636 19.000 0.183 0.000 0.821 230 A HN 0.216 nan 8.150 nan 0.000 0.443 231 A N -0.079 122.874 122.820 0.221 0.000 1.898 231 A HA 0.199 4.519 4.320 0.000 0.000 0.216 231 A C 2.491 180.163 177.584 0.147 0.000 1.181 231 A CA 1.965 54.115 52.037 0.187 0.000 0.620 231 A CB -0.978 18.089 19.000 0.112 0.000 0.819 231 A HN 1.000 nan 8.150 nan 0.000 0.442 232 A N -1.275 121.637 122.820 0.154 0.000 1.902 232 A HA -0.108 4.212 4.320 0.000 0.000 0.217 232 A C 2.164 179.855 177.584 0.178 0.000 1.181 232 A CA 1.738 53.854 52.037 0.132 0.000 0.623 232 A CB -0.830 18.249 19.000 0.132 0.000 0.818 232 A HN 0.788 nan 8.150 nan 0.000 0.443 233 Y N -0.879 119.511 120.300 0.149 0.000 2.163 233 Y HA -0.172 4.378 4.550 0.000 0.000 0.288 233 Y C 2.004 178.065 175.900 0.267 0.000 1.136 233 Y CA 1.835 60.067 58.100 0.219 0.000 1.147 233 Y CB -0.637 37.964 38.460 0.235 0.000 0.987 233 Y HN 0.303 nan 8.280 nan 0.000 0.509 234 F N 0.892 120.745 119.950 -0.162 0.000 2.113 234 F HA -0.052 4.475 4.527 0.000 0.000 0.297 234 F C 2.323 177.720 175.800 -0.672 0.000 1.103 234 F CA 1.467 59.139 58.000 -0.546 0.000 1.248 234 F CB -1.202 37.701 39.000 -0.162 0.000 0.999 234 F HN 0.120 nan 8.300 nan 0.000 0.475 235 A N 0.065 122.613 122.820 -0.453 0.000 1.929 235 A HA 0.053 4.373 4.320 0.000 0.000 0.216 235 A C 2.517 179.891 177.584 -0.349 0.000 1.176 235 A CA 1.384 53.132 52.037 -0.481 0.000 0.628 235 A CB -1.692 17.170 19.000 -0.231 0.000 0.816 235 A HN 0.479 nan 8.150 nan 0.000 0.444 236 G N -0.116 108.566 108.800 -0.197 0.000 2.418 236 G HA2 -0.183 3.778 3.960 0.000 0.000 0.217 236 G HA3 -0.183 3.778 3.960 0.000 0.000 0.217 236 G C 1.341 176.202 174.900 -0.065 0.000 1.158 236 G CA 1.311 46.363 45.100 -0.080 0.000 0.771 236 G HN 0.817 nan 8.290 nan 0.000 0.545 237 F N 1.547 121.379 119.950 -0.197 0.000 2.664 237 F HA 0.176 4.703 4.527 0.000 0.000 0.296 237 F C 2.307 178.038 175.800 -0.114 0.000 1.125 237 F CA 1.422 59.329 58.000 -0.156 0.000 1.444 237 F CB -0.633 38.235 39.000 -0.219 0.000 1.114 237 F HN 0.095 nan 8.300 nan 0.000 0.576 238 T N -3.895 110.310 114.554 -0.581 0.000 3.039 238 T HA 0.433 4.783 4.350 0.000 0.000 0.250 238 T C 1.882 176.190 174.700 -0.653 0.000 1.052 238 T CA 0.615 62.261 62.100 -0.756 0.000 1.125 238 T CB -0.271 67.489 68.868 -1.847 0.000 0.908 238 T HN 0.784 nan 8.240 nan 0.000 0.473 239 G N 1.084 109.619 108.800 -0.441 0.000 2.176 239 G HA2 -0.195 3.765 3.960 0.000 0.000 0.253 239 G HA3 -0.195 3.765 3.960 0.000 0.000 0.253 239 G C 0.096 174.942 174.900 -0.091 0.000 0.979 239 G CA -0.234 44.735 45.100 -0.218 0.000 0.641 239 G HN 0.613 nan 8.290 nan 0.000 0.530 240 F N 2.625 122.343 119.950 -0.388 0.000 2.553 240 F HA 0.339 4.866 4.527 0.000 0.000 0.356 240 F C 1.672 177.305 175.800 -0.278 0.000 1.142 240 F CA -0.153 57.616 58.000 -0.384 0.000 1.322 240 F CB 0.442 39.077 39.000 -0.607 0.000 1.126 240 F HN 0.377 nan 8.300 nan 0.000 0.599 241 H N 0.978 119.994 119.070 -0.091 0.000 2.676 241 H HA 0.341 4.897 4.556 0.000 0.000 0.352 241 H C -1.085 174.153 175.328 -0.149 0.000 1.193 241 H CA -1.153 54.805 56.048 -0.150 0.000 1.243 241 H CB 1.195 30.828 29.762 -0.213 0.000 1.751 241 H HN 0.647 nan 8.280 nan 0.000 0.567 242 E N 0.746 120.856 120.200 -0.151 0.000 2.316 242 E HA 0.085 4.435 4.350 0.000 0.000 0.275 242 E C -0.635 175.909 176.600 -0.094 0.000 1.029 242 E CA -0.365 55.949 56.400 -0.143 0.000 0.871 242 E CB 0.522 30.171 29.700 -0.084 0.000 1.022 242 E HN 0.573 nan 8.360 nan 0.000 0.418 243 F N 3.980 123.792 119.950 -0.230 0.000 2.602 243 F HA 0.469 4.997 4.527 0.000 0.000 0.284 243 F C -0.042 175.736 175.800 -0.037 0.000 1.111 243 F CA 0.593 58.516 58.000 -0.129 0.000 1.405 243 F CB 0.904 39.815 39.000 -0.148 0.000 1.121 243 F HN 0.542 nan 8.300 nan 0.000 0.603 244 A N 0.245 123.054 122.820 -0.017 0.000 2.566 244 A HA 0.602 4.922 4.320 0.000 0.000 0.290 244 A C -1.552 176.008 177.584 -0.040 0.000 1.071 244 A CA -0.393 51.616 52.037 -0.047 0.000 0.658 244 A CB 0.989 20.021 19.000 0.054 0.000 1.285 244 A HN 0.291 nan 8.150 nan 0.000 0.427 245 E N -0.483 119.712 120.200 -0.008 0.000 2.375 245 E HA 0.639 4.990 4.350 0.000 0.000 0.280 245 E C -2.035 174.599 176.600 0.057 0.000 0.972 245 E CA -0.625 55.783 56.400 0.013 0.000 0.782 245 E CB 1.761 31.461 29.700 0.001 0.000 1.229 245 E HN 0.985 nan 8.360 nan 0.000 0.439 246 F N 1.841 121.742 119.950 -0.083 0.000 2.539 246 F HA 0.549 5.076 4.527 0.000 0.000 0.328 246 F C -1.132 174.620 175.800 -0.079 0.000 1.148 246 F CA -0.167 57.756 58.000 -0.128 0.000 0.940 246 F CB 2.258 41.117 39.000 -0.235 0.000 1.194 246 F HN 0.609 nan 8.300 nan 0.000 0.438 247 T N 3.567 117.989 114.554 -0.220 0.000 2.916 247 T HA 0.797 5.147 4.350 0.000 0.000 0.292 247 T C -0.523 174.088 174.700 -0.148 0.000 1.064 247 T CA 0.035 62.091 62.100 -0.073 0.000 1.011 247 T CB 1.542 70.368 68.868 -0.069 0.000 1.152 247 T HN 0.860 nan 8.240 nan 0.000 0.510 257 G N 0.994 109.764 108.800 -0.049 0.000 2.234 257 G HA2 -0.181 3.779 3.960 0.000 0.000 0.260 257 G HA3 -0.181 3.779 3.960 0.000 0.000 0.260 257 G C 0.032 174.971 174.900 0.066 0.000 0.987 257 G CA 0.910 46.011 45.100 0.002 0.000 0.625 257 G HN 1.901 nan 8.290 nan 0.000 0.532 258 L N -3.447 117.861 121.223 0.141 0.000 2.622 258 L HA 0.811 5.152 4.340 0.000 0.000 0.258 258 L C -1.300 175.681 176.870 0.185 0.000 0.996 258 L CA -1.256 53.674 54.840 0.150 0.000 0.858 258 L CB 1.540 43.714 42.059 0.193 0.000 1.449 258 L HN 0.027 nan 8.230 nan 0.000 0.411 259 N N 0.778 119.553 118.700 0.125 0.000 2.346 259 N HA 0.620 5.360 4.740 0.000 0.000 0.289 259 N C -1.534 174.042 175.510 0.109 0.000 1.027 259 N CA -0.504 52.619 53.050 0.123 0.000 0.864 259 N CB 2.206 40.730 38.487 0.061 0.000 1.370 259 N HN 0.676 nan 8.380 nan 0.000 0.481 260 S N 2.358 118.139 115.700 0.136 0.000 2.542 260 S HA 0.663 5.133 4.470 0.000 0.000 0.293 260 S C -1.399 173.227 174.600 0.043 0.000 1.089 260 S CA -0.632 57.617 58.200 0.082 0.000 0.961 260 S CB 1.080 64.341 63.200 0.101 0.000 1.062 260 S HN 0.488 nan 8.310 nan 0.000 0.483 261 M N 4.665 124.264 119.600 -0.002 0.000 2.277 261 M HA 0.441 4.921 4.480 0.000 0.000 0.282 261 M C -2.058 174.203 176.300 -0.065 0.000 1.074 261 M CA -0.530 54.756 55.300 -0.024 0.000 0.954 261 M CB 1.636 34.239 32.600 0.005 0.000 1.672 261 M HN 0.469 nan 8.290 nan 0.000 0.471 262 V N 5.896 125.738 119.914 -0.121 0.000 2.439 262 V HA 0.503 4.623 4.120 0.000 0.000 0.282 262 V C -0.107 175.928 176.094 -0.099 0.000 1.039 262 V CA -0.594 61.612 62.300 -0.157 0.000 0.913 262 V CB 1.553 33.185 31.823 -0.319 0.000 0.983 262 V HN 0.778 nan 8.190 nan 0.000 0.460 263 L N 4.140 125.300 121.223 -0.104 0.000 2.325 263 L HA 0.898 5.239 4.340 0.000 0.000 0.278 263 L C 0.174 176.820 176.870 -0.374 0.000 1.023 263 L CA -0.266 54.447 54.840 -0.210 0.000 0.811 263 L CB 1.825 43.777 42.059 -0.178 0.000 1.249 263 L HN 0.804 nan 8.230 nan 0.000 0.431 264 A N 2.115 124.552 122.820 -0.638 0.000 2.515 264 A HA 0.659 4.979 4.320 0.000 0.000 0.296 264 A C -0.950 176.029 177.584 -1.009 0.000 1.094 264 A CA -0.829 50.714 52.037 -0.824 0.000 0.718 264 A CB 1.530 20.110 19.000 -0.698 0.000 1.307 264 A HN 0.724 nan 8.150 nan 0.000 0.408 265 N N 0.759 118.854 118.700 -1.007 0.000 2.364 265 N HA 0.085 4.825 4.740 0.000 0.000 0.264 265 N C 0.191 175.581 175.510 -0.199 0.000 1.263 265 N CA -0.402 52.212 53.050 -0.727 0.000 0.959 265 N CB -0.016 38.070 38.487 -0.670 0.000 1.204 265 N HN 0.506 nan 8.380 nan 0.000 0.550 266 N N -0.052 118.604 118.700 -0.074 0.000 2.036 266 N HA -0.187 4.553 4.740 0.000 0.000 0.195 266 N C 1.420 176.921 175.510 -0.015 0.000 1.037 266 N CA 2.167 55.213 53.050 -0.008 0.000 0.855 266 N CB -0.753 37.717 38.487 -0.029 0.000 1.033 266 N HN 0.792 nan 8.380 nan 0.000 0.423 267 S N 0.019 115.681 115.700 -0.063 0.000 2.561 267 S HA 0.030 4.501 4.470 0.000 0.000 0.225 267 S C 0.286 174.838 174.600 -0.081 0.000 0.977 267 S CA 0.234 58.396 58.200 -0.064 0.000 0.926 267 S CB -0.282 62.869 63.200 -0.082 0.000 0.769 267 S HN 0.377 nan 8.310 nan 0.000 0.533 268 E N 1.014 121.128 120.200 -0.144 0.000 2.637 268 E HA -0.204 4.146 4.350 0.000 0.000 0.265 268 E C 0.138 176.568 176.600 -0.284 0.000 1.073 268 E CA 0.683 56.926 56.400 -0.261 0.000 0.778 268 E CB -1.966 27.611 29.700 -0.205 0.000 1.362 268 E HN 0.897 nan 8.360 nan 0.000 0.413 269 N N -0.210 118.347 118.700 -0.239 0.000 2.299 269 N HA 0.018 4.758 4.740 0.000 0.000 0.187 269 N C 0.183 175.533 175.510 -0.267 0.000 1.099 269 N CA 0.231 53.178 53.050 -0.173 0.000 0.867 269 N CB 0.637 39.064 38.487 -0.099 0.000 0.974 269 N HN 0.042 nan 8.380 nan 0.000 0.477 270 V N 1.976 121.608 119.914 -0.470 0.000 2.357 270 V HA 0.415 4.535 4.120 0.000 0.000 0.284 270 V C -0.475 175.302 176.094 -0.528 0.000 1.018 270 V CA -0.667 61.157 62.300 -0.792 0.000 0.841 270 V CB 1.436 32.720 31.823 -0.898 0.000 0.991 270 V HN 0.097 nan 8.190 nan 0.000 0.437 271 L N 6.634 127.758 121.223 -0.164 0.000 2.349 271 L HA 0.617 4.957 4.340 0.000 0.000 0.278 271 L C -0.782 176.206 176.870 0.196 0.000 0.996 271 L CA -0.376 54.450 54.840 -0.023 0.000 0.825 271 L CB 1.847 43.963 42.059 0.095 0.000 1.243 271 L HN 0.446 nan 8.230 nan 0.000 0.412 272 L N 5.321 126.607 121.223 0.106 0.000 2.417 272 L HA 0.455 4.795 4.340 0.000 0.000 0.259 272 L C -2.441 174.536 176.870 0.178 0.000 1.023 272 L CA -1.489 53.495 54.840 0.240 0.000 0.901 272 L CB 1.548 43.866 42.059 0.432 0.000 1.227 272 L HN 0.300 nan 8.230 nan 0.000 0.454 273 P HA 0.413 nan 4.420 nan 0.000 0.276 273 P C -0.953 176.355 177.300 0.014 0.000 1.252 273 P CA -0.296 62.793 63.100 -0.018 0.000 0.802 273 P CB 1.043 32.663 31.700 -0.133 0.000 1.035 274 L N 1.947 123.164 121.223 -0.009 0.000 2.436 274 L HA 0.481 4.821 4.340 0.000 0.000 0.268 274 L C -0.333 176.504 176.870 -0.056 0.000 0.974 274 L CA -0.660 54.151 54.840 -0.049 0.000 0.826 274 L CB 1.978 44.055 42.059 0.031 0.000 1.291 274 L HN 0.288 nan 8.230 nan 0.000 0.406 275 N N 2.008 120.646 118.700 -0.104 0.000 2.362 275 N HA 0.576 5.316 4.740 0.000 0.000 0.299 275 N C -1.238 174.236 175.510 -0.059 0.000 1.170 275 N CA -0.669 52.347 53.050 -0.055 0.000 0.825 275 N CB 2.475 40.926 38.487 -0.061 0.000 1.299 275 N HN 0.646 nan 8.380 nan 0.000 0.502 276 E N -0.621 119.569 120.200 -0.018 0.000 2.393 276 E HA 0.596 4.946 4.350 0.000 0.000 0.273 276 E C -3.051 173.531 176.600 -0.029 0.000 0.918 276 E CA -1.789 54.601 56.400 -0.017 0.000 0.773 276 E CB 2.808 32.508 29.700 0.000 0.000 1.275 276 E HN 0.170 nan 8.360 nan 0.000 0.451 277 P HA 0.187 nan 4.420 nan 0.000 0.281 277 P C -0.656 176.455 177.300 -0.314 0.000 1.264 277 P CA -0.654 62.350 63.100 -0.159 0.000 0.824 277 P CB 1.278 32.880 31.700 -0.163 0.000 1.092 278 V N 2.606 122.360 119.914 -0.266 0.000 2.409 278 V HA 0.236 4.356 4.120 0.000 0.000 0.291 278 V C 0.515 176.451 176.094 -0.263 0.000 1.020 278 V CA -0.572 61.592 62.300 -0.228 0.000 0.848 278 V CB 0.548 32.329 31.823 -0.070 0.000 0.990 278 V HN 0.579 nan 8.190 nan 0.000 0.430 279 H N 2.450 121.539 119.070 0.032 0.000 2.544 279 H HA 0.646 5.202 4.556 0.000 0.000 0.365 279 H C 0.979 176.318 175.328 0.018 0.000 1.268 279 H CA 0.767 56.831 56.048 0.026 0.000 1.400 279 H CB 1.445 31.222 29.762 0.026 0.000 1.538 279 H HN 0.899 nan 8.280 nan 0.000 0.597 280 G N 0.160 109.061 108.800 0.169 0.000 2.728 280 G HA2 -0.316 3.645 3.960 0.000 0.000 0.269 280 G HA3 -0.316 3.645 3.960 0.000 0.000 0.269 280 G C 0.303 175.238 174.900 0.058 0.000 1.334 280 G CA 1.129 46.280 45.100 0.085 0.000 0.974 280 G HN 1.512 nan 8.290 nan 0.000 0.550 281 T N -2.042 112.531 114.554 0.033 0.000 0.541 281 T HA -0.183 4.167 4.350 0.000 0.000 0.774 281 T C 1.235 175.941 174.700 0.011 0.000 0.992 281 T CA 2.952 65.059 62.100 0.011 0.000 4.077 281 T CB -1.108 67.761 68.868 0.001 0.000 2.303 281 T HN 2.189 nan 8.240 nan 0.000 0.398 282 K N 0.601 121.000 120.400 -0.002 0.000 2.054 282 K HA 0.242 4.562 4.320 0.000 0.000 0.207 282 K C 1.240 177.845 176.600 0.007 0.000 1.031 282 K CA -0.068 56.219 56.287 -0.000 0.000 0.952 282 K CB 0.054 32.548 32.500 -0.010 0.000 0.775 282 K HN 0.537 nan 8.250 nan 0.000 0.447 283 R N 1.461 121.963 120.500 0.004 0.000 2.607 283 R HA 0.273 4.613 4.340 0.000 0.000 0.261 283 R C -0.187 176.131 176.300 0.029 0.000 1.051 283 R CA -0.809 55.301 56.100 0.016 0.000 1.110 283 R CB 0.670 30.977 30.300 0.012 0.000 1.158 283 R HN 0.231 nan 8.270 nan 0.000 0.543 284 R N 0.415 120.943 120.500 0.047 0.000 2.543 284 R HA 0.037 4.377 4.340 0.000 0.000 0.277 284 R C 0.033 176.376 176.300 0.071 0.000 1.074 284 R CA 0.144 56.285 56.100 0.069 0.000 1.076 284 R CB 0.645 30.993 30.300 0.080 0.000 0.993 284 R HN 0.614 nan 8.270 nan 0.000 0.459 285 S N 2.030 117.775 115.700 0.076 0.000 2.552 285 S HA -0.050 4.420 4.470 0.000 0.000 0.289 285 S C 0.735 175.397 174.600 0.104 0.000 1.304 285 S CA -0.259 57.981 58.200 0.067 0.000 1.063 285 S CB 0.975 64.197 63.200 0.036 0.000 0.848 285 S HN 0.691 nan 8.310 nan 0.000 0.499 286 Q N 3.385 123.253 119.800 0.113 0.000 2.291 286 Q HA 0.023 4.363 4.340 0.000 0.000 0.206 286 Q C 1.627 177.720 176.000 0.156 0.000 0.976 286 Q CA 1.171 57.053 55.803 0.132 0.000 0.875 286 Q CB -0.165 28.643 28.738 0.118 0.000 0.927 286 Q HN 0.726 nan 8.270 nan 0.000 0.450 287 I N -0.240 120.405 120.570 0.125 0.000 2.406 287 I HA -0.158 4.012 4.170 0.000 0.000 0.249 287 I C 2.079 178.308 176.117 0.187 0.000 1.122 287 I CA 1.029 62.396 61.300 0.112 0.000 1.431 287 I CB -0.998 37.028 38.000 0.044 0.000 1.087 287 I HN 0.231 nan 8.210 nan 0.000 0.424 288 Q N 1.072 120.973 119.800 0.168 0.000 2.119 288 Q HA -0.124 4.216 4.340 0.000 0.000 0.201 288 Q C 2.169 178.295 176.000 0.210 0.000 0.972 288 Q CA 1.947 57.867 55.803 0.195 0.000 0.847 288 Q CB -0.430 28.426 28.738 0.196 0.000 0.903 288 Q HN 0.372 nan 8.270 nan 0.000 0.433 289 T N 0.294 114.981 114.554 0.222 0.000 2.759 289 T HA -0.140 4.210 4.350 0.000 0.000 0.269 289 T C 1.225 176.150 174.700 0.376 0.000 1.042 289 T CA 1.336 63.599 62.100 0.272 0.000 1.140 289 T CB -0.438 68.581 68.868 0.251 0.000 0.864 289 T HN 0.419 nan 8.240 nan 0.000 0.455 290 F N 1.470 121.532 119.950 0.187 0.000 2.128 290 F HA 0.084 4.611 4.527 0.000 0.000 0.295 290 F C 1.861 177.769 175.800 0.181 0.000 1.100 290 F CA 0.992 59.098 58.000 0.176 0.000 1.260 290 F CB -0.466 38.591 39.000 0.095 0.000 1.009 290 F HN 0.033 nan 8.300 nan 0.000 0.476 291 L N 0.155 121.622 121.223 0.406 0.000 2.083 291 L HA -0.222 4.118 4.340 0.000 0.000 0.209 291 L C 2.173 179.104 176.870 0.101 0.000 1.083 291 L CA 1.388 56.386 54.840 0.264 0.000 0.752 291 L CB -0.891 41.321 42.059 0.255 0.000 0.899 291 L HN 0.136 nan 8.230 nan 0.000 0.433 292 D N -0.648 119.797 120.400 0.074 0.000 2.078 292 D HA -0.179 4.461 4.640 0.000 0.000 0.193 292 D C 2.089 178.317 176.300 -0.118 0.000 0.990 292 D CA 1.616 55.586 54.000 -0.050 0.000 0.827 292 D CB -0.323 40.401 40.800 -0.127 0.000 0.975 292 D HN 0.430 nan 8.370 nan 0.000 0.451 293 H N -1.079 117.981 119.070 -0.017 0.000 2.428 293 H HA -0.007 4.549 4.556 0.000 0.000 0.296 293 H C 2.008 177.281 175.328 -0.090 0.000 1.062 293 H CA 1.037 57.059 56.048 -0.042 0.000 1.350 293 H CB 0.023 29.771 29.762 -0.025 0.000 1.403 293 H HN 0.283 nan 8.280 nan 0.000 0.533 294 H N 0.021 118.972 119.070 -0.198 0.000 2.470 294 H HA 0.008 4.564 4.556 0.000 0.000 0.289 294 H C 0.982 176.274 175.328 -0.061 0.000 1.033 294 H CA 0.978 56.834 56.048 -0.318 0.000 1.331 294 H CB 0.191 29.373 29.762 -0.966 0.000 1.414 294 H HN 0.554 nan 8.280 nan 0.000 0.545 295 G N -0.213 108.560 108.800 -0.045 0.000 2.203 295 G HA2 -0.039 3.921 3.960 0.000 0.000 0.231 295 G HA3 -0.039 3.921 3.960 0.000 0.000 0.231 295 G C 0.491 175.429 174.900 0.064 0.000 1.058 295 G CA 0.553 45.640 45.100 -0.021 0.000 0.781 295 G HN 0.995 nan 8.290 nan 0.000 0.496 296 G N -1.552 107.337 108.800 0.148 0.000 2.315 296 G HA2 0.448 4.408 3.960 0.000 0.000 0.296 296 G HA3 0.448 4.408 3.960 0.000 0.000 0.296 296 G C -3.058 172.039 174.900 0.329 0.000 1.289 296 G CA -0.019 45.206 45.100 0.207 0.000 0.996 296 G HN 0.609 nan 8.290 nan 0.000 0.487 297 P HA 0.536 nan 4.420 nan 0.000 0.272 297 P C 0.492 177.950 177.300 0.265 0.000 1.223 297 P CA 1.094 64.322 63.100 0.214 0.000 0.784 297 P CB 1.313 33.105 31.700 0.153 0.000 0.923 298 G N -0.354 108.514 108.800 0.114 0.000 2.338 298 G HA2 0.288 4.248 3.960 0.000 0.000 0.295 298 G HA3 0.288 4.248 3.960 0.000 0.000 0.295 298 G C -1.557 173.300 174.900 -0.073 0.000 1.461 298 G CA -0.622 44.531 45.100 0.089 0.000 0.817 298 G HN 0.317 nan 8.290 nan 0.000 0.556 299 V N 1.609 121.551 119.914 0.047 0.000 2.479 299 V HA 0.127 4.248 4.120 0.000 0.000 0.281 299 V C 1.605 177.585 176.094 -0.191 0.000 1.031 299 V CA 0.732 62.994 62.300 -0.063 0.000 1.038 299 V CB 1.260 33.091 31.823 0.014 0.000 0.981 299 V HN 0.883 nan 8.190 nan 0.000 0.478 300 Q N 4.506 124.033 119.800 -0.455 0.000 2.061 300 Q HA 0.009 4.350 4.340 0.000 0.000 0.195 300 Q C 0.558 176.279 176.000 -0.466 0.000 0.967 300 Q CA 0.950 56.428 55.803 -0.542 0.000 0.829 300 Q CB 0.345 28.695 28.738 -0.647 0.000 0.900 300 Q HN 0.947 nan 8.270 nan 0.000 0.450 301 H N -2.208 116.531 119.070 -0.552 0.000 3.037 301 H HA 0.459 5.015 4.556 0.000 0.000 0.355 301 H C -1.541 173.631 175.328 -0.261 0.000 1.263 301 H CA -1.039 54.650 56.048 -0.599 0.000 1.129 301 H CB 0.950 30.053 29.762 -1.099 0.000 1.861 301 H HN 0.075 nan 8.280 nan 0.000 0.546 302 M N 1.992 121.560 119.600 -0.053 0.000 2.259 302 M HA 0.534 5.014 4.480 0.000 0.000 0.304 302 M C -0.550 175.774 176.300 0.040 0.000 1.019 302 M CA -0.853 54.423 55.300 -0.040 0.000 0.922 302 M CB 2.405 35.082 32.600 0.128 0.000 1.600 302 M HN 0.727 nan 8.290 nan 0.000 0.433 303 A N 5.099 127.830 122.820 -0.148 0.000 2.276 303 A HA 0.790 5.111 4.320 0.000 0.000 0.300 303 A C -0.745 176.780 177.584 -0.098 0.000 1.235 303 A CA -0.553 51.362 52.037 -0.202 0.000 0.867 303 A CB 0.236 18.803 19.000 -0.721 0.000 1.137 303 A HN 0.895 nan 8.150 nan 0.000 0.527 304 L N 2.507 123.696 121.223 -0.058 0.000 2.313 304 L HA 0.681 5.021 4.340 0.000 0.000 0.283 304 L C 0.495 177.331 176.870 -0.057 0.000 1.013 304 L CA -0.560 54.231 54.840 -0.081 0.000 0.816 304 L CB 1.753 43.778 42.059 -0.057 0.000 1.236 304 L HN 0.722 nan 8.230 nan 0.000 0.419 305 A N 2.331 125.118 122.820 -0.056 0.000 2.304 305 A HA 0.726 5.046 4.320 0.000 0.000 0.301 305 A C -0.148 177.424 177.584 -0.021 0.000 1.132 305 A CA -0.297 51.725 52.037 -0.025 0.000 0.819 305 A CB 1.496 20.494 19.000 -0.003 0.000 1.094 305 A HN 0.629 nan 8.150 nan 0.000 0.492 306 S N -0.351 115.343 115.700 -0.009 0.000 2.570 306 S HA 0.473 4.943 4.470 0.000 0.000 0.286 306 S C -0.447 174.153 174.600 0.001 0.000 1.099 306 S CA -0.634 57.567 58.200 0.001 0.000 0.913 306 S CB 1.401 64.606 63.200 0.009 0.000 1.085 306 S HN 0.601 nan 8.310 nan 0.000 0.480 307 D N 1.281 121.685 120.400 0.006 0.000 2.349 307 D HA 0.190 4.830 4.640 0.000 0.000 0.214 307 D C -0.427 175.874 176.300 0.002 0.000 1.063 307 D CA 0.474 54.476 54.000 0.004 0.000 0.847 307 D CB 0.345 41.150 40.800 0.008 0.000 0.933 307 D HN 0.561 nan 8.370 nan 0.000 0.513 308 D N 0.419 120.820 120.400 0.002 0.000 2.978 308 D HA -0.022 4.618 4.640 0.000 0.000 0.268 308 D C 1.030 177.326 176.300 -0.008 0.000 1.252 308 D CA -0.309 53.689 54.000 -0.003 0.000 0.771 308 D CB 0.227 41.028 40.800 0.001 0.000 1.361 308 D HN -0.275 nan 8.370 nan 0.000 0.558 309 V N 1.435 121.341 119.914 -0.014 0.000 2.453 309 V HA -0.239 3.881 4.120 0.000 0.000 0.252 309 V C 1.886 177.953 176.094 -0.045 0.000 1.068 309 V CA 1.607 63.892 62.300 -0.024 0.000 1.070 309 V CB -0.245 31.559 31.823 -0.031 0.000 0.664 309 V HN 0.423 nan 8.190 nan 0.000 0.461 310 L N -0.241 120.954 121.223 -0.046 0.000 2.056 310 L HA -0.100 4.240 4.340 0.000 0.000 0.207 310 L C 2.553 179.381 176.870 -0.069 0.000 1.078 310 L CA 2.133 56.934 54.840 -0.065 0.000 0.749 310 L CB -1.177 40.850 42.059 -0.053 0.000 0.901 310 L HN 0.297 nan 8.230 nan 0.000 0.433 311 R N -0.908 119.564 120.500 -0.047 0.000 2.073 311 R HA -0.151 4.189 4.340 0.000 0.000 0.234 311 R C 2.106 178.374 176.300 -0.053 0.000 1.134 311 R CA 1.956 58.028 56.100 -0.046 0.000 0.952 311 R CB -0.272 30.015 30.300 -0.021 0.000 0.850 311 R HN 0.330 nan 8.270 nan 0.000 0.433 312 T N 1.784 116.327 114.554 -0.018 0.000 2.684 312 T HA -0.133 4.217 4.350 0.000 0.000 0.267 312 T C 1.838 176.520 174.700 -0.029 0.000 1.036 312 T CA 1.429 63.542 62.100 0.022 0.000 1.148 312 T CB -0.163 68.743 68.868 0.063 0.000 0.863 312 T HN 0.194 nan 8.240 nan 0.000 0.436 313 L N 0.157 121.325 121.223 -0.092 0.000 2.131 313 L HA -0.042 4.298 4.340 0.000 0.000 0.210 313 L C 2.884 179.628 176.870 -0.210 0.000 1.092 313 L CA 1.162 55.879 54.840 -0.205 0.000 0.759 313 L CB -0.450 41.423 42.059 -0.308 0.000 0.903 313 L HN 0.143 nan 8.230 nan 0.000 0.435 314 R N -0.070 120.330 120.500 -0.167 0.000 2.081 314 R HA -0.152 4.188 4.340 0.000 0.000 0.235 314 R C 2.308 178.499 176.300 -0.181 0.000 1.131 314 R CA 1.249 57.256 56.100 -0.156 0.000 0.960 314 R CB 0.020 30.244 30.300 -0.127 0.000 0.856 314 R HN 0.324 nan 8.270 nan 0.000 0.436 315 E N 0.138 120.185 120.200 -0.255 0.000 2.077 315 E HA -0.217 4.133 4.350 0.000 0.000 0.193 315 E C 2.001 178.362 176.600 -0.399 0.000 0.989 315 E CA 1.381 57.484 56.400 -0.495 0.000 0.800 315 E CB -0.146 28.980 29.700 -0.957 0.000 0.746 315 E HN 0.442 nan 8.360 nan 0.000 0.452 316 M N 0.563 120.085 119.600 -0.130 0.000 2.132 316 M HA -0.147 4.333 4.480 0.000 0.000 0.263 316 M C 2.294 178.707 176.300 0.187 0.000 1.065 316 M CA 1.365 56.766 55.300 0.168 0.000 1.122 316 M CB -0.207 32.639 32.600 0.409 0.000 1.365 316 M HN 0.010 nan 8.290 nan 0.000 0.411 317 Q N -0.059 119.791 119.800 0.083 0.000 2.226 317 Q HA -0.087 4.253 4.340 0.000 0.000 0.204 317 Q C 2.117 178.140 176.000 0.039 0.000 0.975 317 Q CA 1.361 57.216 55.803 0.087 0.000 0.866 317 Q CB -0.263 28.433 28.738 -0.070 0.000 0.915 317 Q HN 0.570 nan 8.270 nan 0.000 0.440 318 A N 0.802 123.609 122.820 -0.022 0.000 2.067 318 A HA -0.114 4.206 4.320 0.000 0.000 0.219 318 A C 1.863 179.447 177.584 0.001 0.000 1.158 318 A CA 0.976 52.993 52.037 -0.033 0.000 0.661 318 A CB -0.042 18.909 19.000 -0.082 0.000 0.801 318 A HN 0.088 nan 8.150 nan 0.000 0.452 319 R N -0.608 119.918 120.500 0.044 0.000 2.290 319 R HA 0.174 4.514 4.340 0.000 0.000 0.197 319 R C 2.145 178.499 176.300 0.090 0.000 0.913 319 R CA 0.812 56.966 56.100 0.090 0.000 1.040 319 R CB -0.249 30.175 30.300 0.206 0.000 0.992 319 R HN 0.437 nan 8.270 nan 0.000 0.500 320 S N 0.815 116.569 115.700 0.090 0.000 2.372 320 S HA -0.266 4.204 4.470 0.000 0.000 0.227 320 S C 2.046 176.671 174.600 0.041 0.000 1.044 320 S CA 1.636 59.880 58.200 0.073 0.000 1.050 320 S CB -0.375 62.898 63.200 0.121 0.000 0.901 320 S HN 0.518 nan 8.310 nan 0.000 0.447 321 A N 0.579 123.420 122.820 0.034 0.000 1.972 321 A HA 0.037 4.358 4.320 0.000 0.000 0.219 321 A C 1.441 179.029 177.584 0.006 0.000 1.169 321 A CA 1.196 53.244 52.037 0.017 0.000 0.635 321 A CB -0.223 18.782 19.000 0.008 0.000 0.810 321 A HN 0.400 nan 8.150 nan 0.000 0.446 322 M N -0.829 118.773 119.600 0.003 0.000 3.076 322 M HA 0.299 4.779 4.480 0.000 0.000 0.296 322 M C 1.044 177.353 176.300 0.014 0.000 1.185 322 M CA 0.431 55.717 55.300 -0.023 0.000 0.932 322 M CB -0.288 32.263 32.600 -0.082 0.000 1.288 322 M HN 0.689 nan 8.290 nan 0.000 0.536 323 G N -0.569 108.270 108.800 0.066 0.000 2.195 323 G HA2 -0.176 3.784 3.960 0.000 0.000 0.224 323 G HA3 -0.176 3.784 3.960 0.000 0.000 0.224 323 G C 0.507 175.456 174.900 0.082 0.000 0.990 323 G CA -0.175 45.011 45.100 0.143 0.000 0.639 323 G HN 0.676 nan 8.290 nan 0.000 0.514 324 G N -0.474 108.365 108.800 0.065 0.000 2.516 324 G HA2 0.553 4.513 3.960 0.000 0.000 0.276 324 G HA3 0.553 4.513 3.960 0.000 0.000 0.276 324 G C -0.013 174.593 174.900 -0.491 0.000 1.390 324 G CA -0.621 44.312 45.100 -0.278 0.000 1.050 324 G HN 0.340 nan 8.290 nan 0.000 0.519 325 F N -0.397 119.464 119.950 -0.148 0.000 2.377 325 F HA 0.388 4.915 4.527 0.000 0.000 0.328 325 F C 0.878 176.511 175.800 -0.279 0.000 1.094 325 F CA -0.475 57.357 58.000 -0.280 0.000 1.093 325 F CB 1.468 40.196 39.000 -0.454 0.000 1.214 325 F HN 0.276 nan 8.300 nan 0.000 0.518 326 E N 1.205 121.334 120.200 -0.117 0.000 2.222 326 E HA 0.462 4.812 4.350 0.000 0.000 0.267 326 E C -1.409 174.973 176.600 -0.364 0.000 0.963 326 E CA -0.734 55.601 56.400 -0.107 0.000 0.837 326 E CB 1.936 31.616 29.700 -0.033 0.000 1.183 326 E HN 0.328 nan 8.360 nan 0.000 0.403 327 F N 0.604 120.547 119.950 -0.010 0.000 2.556 327 F HA 0.357 4.884 4.527 0.000 0.000 0.327 327 F C 0.561 176.307 175.800 -0.090 0.000 1.059 327 F CA -1.273 56.706 58.000 -0.035 0.000 0.953 327 F CB 0.943 39.931 39.000 -0.020 0.000 1.227 327 F HN 0.134 nan 8.300 nan 0.000 0.478 328 M N 1.761 121.400 119.600 0.064 0.000 2.249 328 M HA 0.188 4.668 4.480 0.000 0.000 0.340 328 M C 0.290 176.582 176.300 -0.015 0.000 1.166 328 M CA -0.355 54.901 55.300 -0.074 0.000 1.115 328 M CB 0.069 32.614 32.600 -0.090 0.000 1.606 328 M HN 0.707 nan 8.290 nan 0.000 0.448 329 A N 5.430 128.215 122.820 -0.058 0.000 2.587 329 A HA 0.285 4.605 4.320 0.000 0.000 0.235 329 A C -2.073 175.515 177.584 0.008 0.000 1.044 329 A CA -0.670 51.362 52.037 -0.008 0.000 0.754 329 A CB -1.209 17.790 19.000 -0.003 0.000 0.968 329 A HN 0.526 nan 8.150 nan 0.000 0.509 330 P HA 0.317 nan 4.420 nan 0.000 0.271 330 P C -2.260 175.100 177.300 0.100 0.000 1.216 330 P CA -0.836 62.312 63.100 0.079 0.000 0.771 330 P CB 0.041 31.787 31.700 0.078 0.000 0.864 331 P HA 0.055 nan 4.420 nan 0.000 0.273 331 P C 0.066 177.503 177.300 0.230 0.000 1.258 331 P CA -0.045 63.059 63.100 0.006 0.000 0.802 331 P CB 0.245 31.688 31.700 -0.429 0.000 1.040 332 T N -1.893 112.775 114.554 0.189 0.000 2.912 332 T HA 0.211 4.561 4.350 0.000 0.000 0.280 332 T C 1.485 176.394 174.700 0.349 0.000 0.989 332 T CA 0.175 62.416 62.100 0.235 0.000 0.995 332 T CB 0.166 69.117 68.868 0.137 0.000 1.077 332 T HN 0.399 nan 8.240 nan 0.000 0.531 333 S N 1.526 117.397 115.700 0.286 0.000 2.423 333 S HA -0.208 4.262 4.470 0.000 0.000 0.238 333 S C 1.473 176.192 174.600 0.199 0.000 1.028 333 S CA 1.934 60.296 58.200 0.271 0.000 1.000 333 S CB -0.772 62.515 63.200 0.145 0.000 0.797 333 S HN 0.885 nan 8.310 nan 0.000 0.487 334 D N 0.630 121.118 120.400 0.146 0.000 2.097 334 D HA -0.238 4.402 4.640 0.000 0.000 0.195 334 D C 1.896 178.230 176.300 0.057 0.000 0.989 334 D CA 1.507 55.561 54.000 0.090 0.000 0.827 334 D CB -0.795 40.054 40.800 0.081 0.000 0.966 334 D HN 0.585 nan 8.370 nan 0.000 0.456 335 Y N 1.233 121.503 120.300 -0.050 0.000 2.165 335 Y HA -0.305 4.245 4.550 0.000 0.000 0.286 335 Y C 2.088 177.829 175.900 -0.265 0.000 1.155 335 Y CA 1.503 59.486 58.100 -0.194 0.000 1.164 335 Y CB -0.636 37.619 38.460 -0.341 0.000 0.978 335 Y HN -0.125 nan 8.280 nan 0.000 0.513 336 Y N 0.465 120.756 120.300 -0.016 0.000 2.439 336 Y HA -0.155 4.395 4.550 0.000 0.000 0.292 336 Y C 2.249 178.082 175.900 -0.111 0.000 1.130 336 Y CA 1.298 59.342 58.100 -0.095 0.000 1.254 336 Y CB -0.431 38.057 38.460 0.047 0.000 1.000 336 Y HN 0.213 nan 8.280 nan 0.000 0.554 337 D N -0.747 119.671 120.400 0.031 0.000 2.144 337 D HA -0.121 4.520 4.640 0.000 0.000 0.200 337 D C 2.407 178.670 176.300 -0.061 0.000 0.978 337 D CA 1.409 55.413 54.000 0.006 0.000 0.833 337 D CB -0.583 40.226 40.800 0.015 0.000 0.961 337 D HN 0.428 nan 8.370 nan 0.000 0.470 338 G N 1.224 109.940 108.800 -0.139 0.000 2.422 338 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 338 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 338 G C 1.845 176.615 174.900 -0.217 0.000 1.146 338 G CA 1.336 46.327 45.100 -0.182 0.000 0.769 338 G HN 0.357 nan 8.290 nan 0.000 0.547 339 V N -1.100 118.629 119.914 -0.309 0.000 2.667 339 V HA 0.060 4.180 4.120 0.000 0.000 0.252 339 V C 2.479 178.527 176.094 -0.078 0.000 1.065 339 V CA 1.639 63.810 62.300 -0.215 0.000 1.083 339 V CB -0.494 31.207 31.823 -0.204 0.000 0.692 339 V HN 0.324 nan 8.190 nan 0.000 0.468 340 R N 0.180 120.651 120.500 -0.047 0.000 2.115 340 R HA -0.018 4.322 4.340 0.000 0.000 0.230 340 R C 2.609 178.896 176.300 -0.022 0.000 1.111 340 R CA 1.688 57.779 56.100 -0.015 0.000 0.976 340 R CB -0.347 29.953 30.300 0.001 0.000 0.870 340 R HN 0.552 nan 8.270 nan 0.000 0.445 341 R N 1.213 121.691 120.500 -0.036 0.000 2.080 341 R HA -0.045 4.295 4.340 0.000 0.000 0.222 341 R C 2.433 178.716 176.300 -0.028 0.000 1.107 341 R CA 0.964 57.048 56.100 -0.027 0.000 0.980 341 R CB -0.008 30.275 30.300 -0.029 0.000 0.879 341 R HN 0.083 nan 8.270 nan 0.000 0.439 342 R N -0.018 120.456 120.500 -0.044 0.000 2.092 342 R HA -0.008 4.332 4.340 0.000 0.000 0.231 342 R C 0.480 176.769 176.300 -0.019 0.000 1.119 342 R CA 1.820 57.900 56.100 -0.033 0.000 0.970 342 R CB 0.003 30.272 30.300 -0.052 0.000 0.864 342 R HN 0.192 nan 8.270 nan 0.000 0.440 343 A N 0.033 122.840 122.820 -0.021 0.000 2.573 343 A HA 0.343 4.663 4.320 0.000 0.000 0.269 343 A C 0.974 178.556 177.584 -0.004 0.000 0.901 343 A CA 0.007 52.040 52.037 -0.007 0.000 1.066 343 A CB 0.620 19.619 19.000 -0.001 0.000 1.221 343 A HN 0.429 nan 8.150 nan 0.000 0.483 344 G N 0.815 109.611 108.800 -0.006 0.000 2.625 344 G HA2 -0.127 3.833 3.960 0.000 0.000 0.214 344 G HA3 -0.127 3.833 3.960 0.000 0.000 0.214 344 G C 0.798 175.698 174.900 -0.001 0.000 1.132 344 G CA 1.217 46.316 45.100 -0.002 0.000 0.782 344 G HN 0.670 nan 8.290 nan 0.000 0.538 345 D N -0.226 120.174 120.400 -0.001 0.000 2.339 345 D HA 0.049 4.689 4.640 0.000 0.000 0.217 345 D C 1.649 177.949 176.300 -0.000 0.000 1.050 345 D CA 0.102 54.101 54.000 -0.001 0.000 0.856 345 D CB 0.380 41.180 40.800 -0.001 0.000 0.922 345 D HN 0.276 nan 8.370 nan 0.000 0.518 346 V N 0.002 119.916 119.914 0.001 0.000 3.359 346 V HA 0.104 4.225 4.120 0.000 0.000 0.245 346 V C 0.500 176.595 176.094 0.001 0.000 1.247 346 V CA 0.162 62.462 62.300 0.001 0.000 1.145 346 V CB 0.850 32.674 31.823 0.002 0.000 0.906 346 V HN 0.101 nan 8.190 nan 0.000 0.464 347 L N 1.429 122.654 121.223 0.004 0.000 2.334 347 L HA 0.516 4.856 4.340 0.000 0.000 0.275 347 L C 0.417 177.289 176.870 0.002 0.000 1.036 347 L CA 0.399 55.242 54.840 0.005 0.000 0.807 347 L CB 1.195 43.262 42.059 0.014 0.000 1.231 347 L HN 0.362 nan 8.230 nan 0.000 0.438 348 T N -2.161 112.392 114.554 -0.002 0.000 2.907 348 T HA 0.246 4.596 4.350 0.000 0.000 0.284 348 T C 0.995 175.691 174.700 -0.006 0.000 1.004 348 T CA -0.532 61.565 62.100 -0.005 0.000 1.063 348 T CB 1.834 70.698 68.868 -0.008 0.000 0.992 348 T HN 0.552 nan 8.240 nan 0.000 0.483 349 E N 2.340 122.536 120.200 -0.007 0.000 2.136 349 E HA -0.251 4.099 4.350 0.000 0.000 0.208 349 E C 2.188 178.776 176.600 -0.020 0.000 1.035 349 E CA 2.321 58.714 56.400 -0.011 0.000 0.838 349 E CB -0.922 28.772 29.700 -0.010 0.000 0.748 349 E HN 0.892 nan 8.360 nan 0.000 0.459 350 A N -0.287 122.521 122.820 -0.021 0.000 2.125 350 A HA -0.203 4.117 4.320 0.000 0.000 0.219 350 A C 2.053 179.617 177.584 -0.033 0.000 1.156 350 A CA 1.642 53.662 52.037 -0.028 0.000 0.671 350 A CB -0.362 18.623 19.000 -0.024 0.000 0.794 350 A HN 0.392 nan 8.150 nan 0.000 0.459 351 Q N -0.802 118.983 119.800 -0.025 0.000 2.134 351 Q HA 0.126 4.467 4.340 0.000 0.000 0.195 351 Q C 1.917 177.903 176.000 -0.024 0.000 0.958 351 Q CA 0.901 56.690 55.803 -0.023 0.000 0.840 351 Q CB -0.127 28.604 28.738 -0.011 0.000 0.918 351 Q HN 0.688 nan 8.270 nan 0.000 0.467 352 I N 1.133 121.696 120.570 -0.013 0.000 2.454 352 I HA -0.277 3.893 4.170 0.000 0.000 0.254 352 I C 2.436 178.504 176.117 -0.081 0.000 1.156 352 I CA 1.085 62.384 61.300 -0.001 0.000 1.433 352 I CB -0.207 37.810 38.000 0.028 0.000 1.082 352 I HN 0.188 nan 8.210 nan 0.000 0.432 353 K N 1.296 121.646 120.400 -0.084 0.000 2.031 353 K HA -0.245 4.075 4.320 0.000 0.000 0.205 353 K C 2.060 178.573 176.600 -0.146 0.000 1.049 353 K CA 1.618 57.832 56.287 -0.122 0.000 0.939 353 K CB 0.018 32.471 32.500 -0.078 0.000 0.717 353 K HN 0.138 nan 8.250 nan 0.000 0.438 354 E N 0.402 120.540 120.200 -0.103 0.000 2.058 354 E HA -0.209 4.141 4.350 0.000 0.000 0.194 354 E C 1.869 178.394 176.600 -0.125 0.000 0.997 354 E CA 1.956 58.295 56.400 -0.101 0.000 0.801 354 E CB -0.245 29.412 29.700 -0.072 0.000 0.746 354 E HN 0.400 nan 8.360 nan 0.000 0.450 355 C N 0.476 119.712 119.300 -0.107 0.000 2.413 355 C HA -0.163 4.298 4.460 0.000 0.000 0.276 355 C C 2.766 177.621 174.990 -0.224 0.000 1.236 355 C CA 1.343 60.317 59.018 -0.074 0.000 1.735 355 C CB -1.099 26.681 27.740 0.067 0.000 2.031 355 C HN 0.628 nan 8.230 nan 0.000 0.474 356 Q N 0.663 120.120 119.800 -0.572 0.000 2.119 356 Q HA -0.204 4.136 4.340 0.000 0.000 0.201 356 Q C 2.265 178.037 176.000 -0.379 0.000 0.972 356 Q CA 1.616 56.840 55.803 -0.964 0.000 0.847 356 Q CB -0.290 27.819 28.738 -1.048 0.000 0.903 356 Q HN 0.738 nan 8.270 nan 0.000 0.433 357 E N -0.015 120.035 120.200 -0.250 0.000 2.106 357 E HA -0.181 4.170 4.350 0.000 0.000 0.192 357 E C 1.786 178.311 176.600 -0.126 0.000 0.984 357 E CA 1.055 57.364 56.400 -0.152 0.000 0.806 357 E CB 0.031 29.657 29.700 -0.123 0.000 0.750 357 E HN 0.476 nan 8.360 nan 0.000 0.458 358 L N -1.212 119.929 121.223 -0.138 0.000 2.354 358 L HA 0.198 4.538 4.340 0.000 0.000 0.212 358 L C 1.517 178.314 176.870 -0.122 0.000 1.091 358 L CA 0.593 55.341 54.840 -0.152 0.000 0.828 358 L CB 0.366 42.312 42.059 -0.188 0.000 0.973 358 L HN 0.378 nan 8.230 nan 0.000 0.461 359 G N 0.243 109.012 108.800 -0.052 0.000 2.135 359 G HA2 -0.196 3.764 3.960 0.000 0.000 0.183 359 G HA3 -0.196 3.764 3.960 0.000 0.000 0.183 359 G C 0.018 174.972 174.900 0.089 0.000 1.004 359 G CA -0.267 44.863 45.100 0.050 0.000 0.677 359 G HN 0.020 nan 8.290 nan 0.000 0.512 360 V N 1.487 121.456 119.914 0.092 0.000 2.637 360 V HA 0.456 4.576 4.120 0.000 0.000 0.296 360 V C 1.151 177.386 176.094 0.235 0.000 1.046 360 V CA -0.044 62.314 62.300 0.098 0.000 1.066 360 V CB 1.344 33.195 31.823 0.047 0.000 0.968 360 V HN 0.348 nan 8.190 nan 0.000 0.483 361 L N 5.222 126.524 121.223 0.131 0.000 2.343 361 L HA 0.599 4.939 4.340 0.000 0.000 0.275 361 L C -0.455 176.534 176.870 0.199 0.000 1.056 361 L CA -0.567 54.380 54.840 0.178 0.000 0.804 361 L CB 1.662 43.753 42.059 0.054 0.000 1.203 361 L HN 0.332 nan 8.230 nan 0.000 0.440 362 V N 1.428 121.500 119.914 0.264 0.000 2.487 362 V HA 0.418 4.538 4.120 0.000 0.000 0.298 362 V C -0.725 175.438 176.094 0.115 0.000 1.028 362 V CA -0.598 61.789 62.300 0.144 0.000 0.860 362 V CB 1.923 33.809 31.823 0.105 0.000 0.991 362 V HN 0.660 nan 8.190 nan 0.000 0.427 363 D N 2.657 123.113 120.400 0.092 0.000 2.457 363 D HA 0.576 5.216 4.640 0.000 0.000 0.240 363 D C -0.652 175.683 176.300 0.058 0.000 1.041 363 D CA -0.680 53.373 54.000 0.089 0.000 0.861 363 D CB 2.963 43.834 40.800 0.117 0.000 1.394 363 D HN 0.487 nan 8.370 nan 0.000 0.473 364 R N 1.228 121.760 120.500 0.054 0.000 2.787 364 R HA 0.544 4.884 4.340 0.000 0.000 0.271 364 R C -1.356 174.971 176.300 0.045 0.000 0.993 364 R CA -0.472 55.651 56.100 0.038 0.000 0.993 364 R CB 1.366 31.683 30.300 0.028 0.000 1.155 364 R HN 0.430 nan 8.270 nan 0.000 0.486 365 D N -0.413 120.007 120.400 0.034 0.000 2.552 365 D HA 0.262 4.902 4.640 0.000 0.000 0.239 365 D C -0.234 176.083 176.300 0.029 0.000 1.139 365 D CA -0.523 53.499 54.000 0.036 0.000 0.914 365 D CB 1.553 42.368 40.800 0.026 0.000 1.461 365 D HN 0.510 nan 8.370 nan 0.000 0.462 366 D N 0.079 120.499 120.400 0.034 0.000 2.182 366 D HA -0.140 4.500 4.640 0.000 0.000 0.201 366 D C 0.940 177.250 176.300 0.016 0.000 0.986 366 D CA 1.397 55.416 54.000 0.032 0.000 0.847 366 D CB 0.115 40.943 40.800 0.045 0.000 0.942 366 D HN 0.613 nan 8.370 nan 0.000 0.467 367 Q N -1.218 118.587 119.800 0.007 0.000 2.103 367 Q HA 0.445 4.785 4.340 0.000 0.000 0.219 367 Q C 0.540 176.535 176.000 -0.007 0.000 0.784 367 Q CA -0.268 55.533 55.803 -0.003 0.000 1.014 367 Q CB 1.545 30.275 28.738 -0.013 0.000 1.183 367 Q HN 0.069 nan 8.270 nan 0.000 0.469 368 G N 0.178 108.978 108.800 -0.001 0.000 2.623 368 G HA2 0.510 4.470 3.960 0.000 0.000 0.290 368 G HA3 0.510 4.470 3.960 0.000 0.000 0.290 368 G C -1.784 173.117 174.900 0.001 0.000 1.437 368 G CA -0.533 44.563 45.100 -0.006 0.000 0.798 368 G HN -0.018 nan 8.290 nan 0.000 0.488 369 V N 0.492 120.405 119.914 -0.002 0.000 2.495 369 V HA 0.635 4.755 4.120 0.000 0.000 0.298 369 V C -0.721 175.375 176.094 0.004 0.000 1.031 369 V CA -0.729 61.575 62.300 0.006 0.000 0.871 369 V CB 1.461 33.288 31.823 0.007 0.000 0.988 369 V HN 0.748 nan 8.190 nan 0.000 0.432 370 L N 6.411 127.642 121.223 0.014 0.000 2.305 370 L HA 0.699 5.039 4.340 0.000 0.000 0.284 370 L C -1.138 175.746 176.870 0.024 0.000 1.013 370 L CA -0.106 54.741 54.840 0.011 0.000 0.819 370 L CB 1.332 43.397 42.059 0.011 0.000 1.227 370 L HN 0.472 nan 8.230 nan 0.000 0.417 371 L N 5.533 126.761 121.223 0.009 0.000 2.296 371 L HA 0.658 4.998 4.340 0.000 0.000 0.286 371 L C -0.288 176.567 176.870 -0.025 0.000 1.023 371 L CA 0.069 54.916 54.840 0.010 0.000 0.812 371 L CB 1.628 43.690 42.059 0.006 0.000 1.223 371 L HN 0.797 nan 8.230 nan 0.000 0.421 372 Q N 3.356 123.129 119.800 -0.044 0.000 2.416 372 Q HA 0.864 5.204 4.340 0.000 0.000 0.281 372 Q C -1.396 174.483 176.000 -0.200 0.000 1.067 372 Q CA -0.855 54.855 55.803 -0.155 0.000 0.809 372 Q CB 3.041 31.661 28.738 -0.197 0.000 1.418 372 Q HN 0.536 nan 8.270 nan 0.000 0.411 373 I N 1.115 121.485 120.570 -0.333 0.000 2.787 373 I HA 0.525 4.695 4.170 0.000 0.000 0.294 373 I C -1.895 174.032 176.117 -0.316 0.000 1.365 373 I CA -0.961 60.211 61.300 -0.213 0.000 1.029 373 I CB 1.890 39.863 38.000 -0.045 0.000 1.313 373 I HN 0.712 nan 8.210 nan 0.000 0.431 374 F N 4.080 124.071 119.950 0.068 0.000 2.469 374 F HA 0.527 5.054 4.527 0.000 0.000 0.332 374 F C 0.788 176.575 175.800 -0.021 0.000 1.103 374 F CA -0.453 57.554 58.000 0.013 0.000 0.979 374 F CB 2.087 40.993 39.000 -0.158 0.000 1.137 374 F HN 0.423 nan 8.300 nan 0.000 0.463 375 T N -0.214 114.366 114.554 0.043 0.000 2.847 375 T HA 0.432 4.782 4.350 0.000 0.000 0.279 375 T C 0.110 174.701 174.700 -0.182 0.000 0.984 375 T CA -1.081 60.836 62.100 -0.306 0.000 0.988 375 T CB 0.966 69.551 68.868 -0.471 0.000 1.040 375 T HN 0.276 nan 8.240 nan 0.000 0.528 376 K N 0.893 121.159 120.400 -0.223 0.000 2.117 376 K HA 0.364 4.684 4.320 0.000 0.000 0.240 376 K C -2.501 174.066 176.600 -0.055 0.000 1.031 376 K CA -2.087 54.093 56.287 -0.180 0.000 0.909 376 K CB -0.133 32.270 32.500 -0.163 0.000 1.097 376 K HN 0.435 nan 8.250 nan 0.000 0.492 377 P HA -0.097 nan 4.420 nan 0.000 0.263 377 P C 0.819 178.183 177.300 0.108 0.000 1.175 377 P CA 0.206 63.378 63.100 0.119 0.000 0.761 377 P CB 0.321 32.089 31.700 0.114 0.000 0.794 378 V N 1.122 121.112 119.914 0.127 0.000 3.541 378 V HA 0.262 4.382 4.120 0.000 0.000 0.267 378 V C 0.879 177.137 176.094 0.273 0.000 1.213 378 V CA 1.316 63.715 62.300 0.165 0.000 1.149 378 V CB -0.758 31.085 31.823 0.034 0.000 0.822 378 V HN 0.555 nan 8.190 nan 0.000 0.462 379 G N -0.544 108.387 108.800 0.218 0.000 3.209 379 G HA2 0.406 4.366 3.960 0.000 0.000 0.236 379 G HA3 0.406 4.366 3.960 0.000 0.000 0.236 379 G C -0.224 174.761 174.900 0.141 0.000 1.329 379 G CA 0.228 45.448 45.100 0.201 0.000 1.015 379 G HN 0.075 nan 8.290 nan 0.000 0.571 380 D N -0.223 120.247 120.400 0.117 0.000 2.224 380 D HA 0.031 4.671 4.640 0.000 0.000 0.205 380 D C 1.114 177.448 176.300 0.058 0.000 0.965 380 D CA 0.772 54.821 54.000 0.082 0.000 0.852 380 D CB 0.286 41.129 40.800 0.071 0.000 0.947 380 D HN 0.215 nan 8.370 nan 0.000 0.494 381 R N 0.427 120.962 120.500 0.060 0.000 2.674 381 R HA 0.357 4.698 4.340 0.000 0.000 0.266 381 R C -2.214 174.091 176.300 0.009 0.000 1.016 381 R CA -1.606 54.499 56.100 0.007 0.000 1.062 381 R CB 0.697 31.010 30.300 0.021 0.000 1.142 381 R HN -0.136 nan 8.270 nan 0.000 0.517 382 P HA 0.042 nan 4.420 nan 0.000 0.214 382 P C -0.298 177.069 177.300 0.111 0.000 1.826 382 P CA 0.083 63.178 63.100 -0.009 0.000 0.977 382 P CB 0.430 32.060 31.700 -0.116 0.000 1.930 383 T N -1.150 113.518 114.554 0.190 0.000 3.463 383 T HA 0.158 4.508 4.350 0.000 0.000 0.203 383 T C 0.464 175.469 174.700 0.509 0.000 0.955 383 T CA -0.125 62.173 62.100 0.330 0.000 1.230 383 T CB -0.614 68.239 68.868 -0.025 0.000 1.392 383 T HN 0.071 nan 8.240 nan 0.000 0.361 384 L N 3.410 124.840 121.223 0.344 0.000 2.367 384 L HA 0.590 4.930 4.340 0.000 0.000 0.275 384 L C -0.916 176.118 176.870 0.273 0.000 1.129 384 L CA -0.870 54.118 54.840 0.247 0.000 0.839 384 L CB -0.218 41.960 42.059 0.199 0.000 1.133 384 L HN 0.556 nan 8.230 nan 0.000 0.453 385 F N 3.279 123.297 119.950 0.113 0.000 2.692 385 F HA 0.782 5.310 4.527 0.000 0.000 0.320 385 F C -1.571 174.264 175.800 0.058 0.000 1.123 385 F CA -1.413 56.605 58.000 0.030 0.000 0.961 385 F CB 0.959 39.958 39.000 -0.003 0.000 1.383 385 F HN 0.246 nan 8.300 nan 0.000 0.483 386 L N 0.878 122.196 121.223 0.159 0.000 2.319 386 L HA 0.627 4.967 4.340 0.000 0.000 0.267 386 L C -0.902 176.078 176.870 0.183 0.000 1.011 386 L CA -0.817 54.062 54.840 0.065 0.000 0.818 386 L CB 2.122 44.101 42.059 -0.134 0.000 1.316 386 L HN 0.834 nan 8.230 nan 0.000 0.432 387 E N 1.964 122.213 120.200 0.083 0.000 2.234 387 E HA 0.464 4.814 4.350 0.000 0.000 0.266 387 E C -1.584 174.951 176.600 -0.108 0.000 0.877 387 E CA -0.687 55.638 56.400 -0.125 0.000 0.758 387 E CB 1.840 31.411 29.700 -0.216 0.000 1.170 387 E HN 0.328 nan 8.360 nan 0.000 0.415 388 I N 6.484 126.982 120.570 -0.119 0.000 2.378 388 I HA 0.394 4.564 4.170 0.000 0.000 0.291 388 I C 0.103 176.164 176.117 -0.093 0.000 0.992 388 I CA -0.854 60.419 61.300 -0.046 0.000 1.154 388 I CB 0.806 38.839 38.000 0.054 0.000 1.315 388 I HN 0.533 nan 8.210 nan 0.000 0.448 389 I N 3.573 124.105 120.570 -0.063 0.000 3.191 389 I HA 0.620 4.790 4.170 0.000 0.000 0.313 389 I C -1.393 174.707 176.117 -0.028 0.000 1.193 389 I CA -0.931 60.336 61.300 -0.055 0.000 0.968 389 I CB 2.193 40.167 38.000 -0.044 0.000 1.262 389 I HN 0.732 nan 8.210 nan 0.000 0.456 390 Q N 2.116 121.903 119.800 -0.022 0.000 2.289 390 Q HA 0.556 4.896 4.340 0.000 0.000 0.270 390 Q C -1.725 174.268 176.000 -0.012 0.000 1.038 390 Q CA -0.670 55.124 55.803 -0.014 0.000 0.812 390 Q CB 2.645 31.375 28.738 -0.013 0.000 1.300 390 Q HN 0.780 nan 8.270 nan 0.000 0.427 391 R N 3.390 123.882 120.500 -0.012 0.000 2.393 391 R HA 0.528 4.868 4.340 0.000 0.000 0.310 391 R C -0.552 175.739 176.300 -0.016 0.000 0.968 391 R CA -0.699 55.391 56.100 -0.017 0.000 0.867 391 R CB 1.168 31.455 30.300 -0.023 0.000 1.124 391 R HN 0.517 nan 8.270 nan 0.000 0.450 392 I N 2.767 123.328 120.570 -0.015 0.000 2.382 392 I HA 0.521 4.692 4.170 0.000 0.000 0.285 392 I C 0.748 176.853 176.117 -0.021 0.000 1.007 392 I CA -0.025 61.266 61.300 -0.015 0.000 1.142 392 I CB 0.627 38.622 38.000 -0.009 0.000 1.289 392 I HN 0.937 nan 8.210 nan 0.000 0.453 393 G N 4.291 113.073 108.800 -0.030 0.000 2.298 393 G HA2 -0.084 3.876 3.960 0.000 0.000 0.309 393 G HA3 -0.084 3.876 3.960 0.000 0.000 0.309 393 G C -0.133 174.731 174.900 -0.060 0.000 1.279 393 G CA -0.420 44.657 45.100 -0.038 0.000 1.042 393 G HN 0.564 nan 8.290 nan 0.000 0.480 394 C N 0.101 119.362 119.300 -0.064 0.000 3.886 394 C HA -0.100 4.360 4.460 0.000 0.000 0.295 394 C C 1.029 175.913 174.990 -0.176 0.000 1.411 394 C CA 0.991 59.954 59.018 -0.093 0.000 2.059 394 C CB -2.517 25.186 27.740 -0.062 0.000 1.329 394 C HN 0.700 nan 8.230 nan 0.000 0.670 395 M N 0.822 120.319 119.600 -0.171 0.000 2.277 395 M HA 0.560 5.040 4.480 0.000 0.000 0.350 395 M C 0.406 176.533 176.300 -0.288 0.000 1.180 395 M CA 0.755 55.910 55.300 -0.241 0.000 1.103 395 M CB 0.857 33.374 32.600 -0.138 0.000 1.577 395 M HN 0.469 nan 8.290 nan 0.000 0.459 396 E N 0.988 120.907 120.200 -0.468 0.000 2.454 396 E HA 0.524 4.875 4.350 0.000 0.000 0.279 396 E C -1.242 175.293 176.600 -0.108 0.000 1.029 396 E CA -0.962 55.257 56.400 -0.301 0.000 0.831 396 E CB 3.117 32.639 29.700 -0.297 0.000 1.405 396 E HN 0.596 nan 8.360 nan 0.000 0.463 397 K N -0.080 120.403 120.400 0.138 0.000 2.395 397 K HA 0.598 4.918 4.320 0.000 0.000 0.245 397 K C -1.084 175.658 176.600 0.237 0.000 1.017 397 K CA -0.745 55.676 56.287 0.222 0.000 0.852 397 K CB 1.661 34.221 32.500 0.101 0.000 1.311 397 K HN 0.278 nan 8.250 nan 0.000 0.452 398 D N 0.892 121.378 120.400 0.144 0.000 2.613 398 D HA 0.145 4.785 4.640 0.000 0.000 0.312 398 D C -0.810 175.510 176.300 0.033 0.000 1.202 398 D CA -0.135 53.898 54.000 0.056 0.000 0.825 398 D CB -0.164 40.619 40.800 -0.027 0.000 1.113 398 D HN 0.794 nan 8.370 nan 0.000 0.502 399 E N 0.257 120.479 120.200 0.037 0.000 3.065 399 E HA -0.231 4.119 4.350 0.000 0.000 0.277 399 E C -0.099 176.516 176.600 0.024 0.000 1.008 399 E CA 0.833 57.248 56.400 0.024 0.000 0.864 399 E CB -0.246 29.462 29.700 0.012 0.000 1.439 399 E HN 0.365 nan 8.360 nan 0.000 0.445 400 K N -1.593 118.827 120.400 0.034 0.000 2.466 400 K HA 0.400 4.721 4.320 0.000 0.000 0.260 400 K C 1.017 177.641 176.600 0.038 0.000 1.011 400 K CA -0.054 56.252 56.287 0.032 0.000 0.871 400 K CB 1.156 33.675 32.500 0.031 0.000 1.404 400 K HN 0.008 nan 8.250 nan 0.000 0.450 401 G N 0.101 108.920 108.800 0.032 0.000 2.534 401 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 401 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 401 G C 0.470 175.393 174.900 0.038 0.000 1.128 401 G CA 0.504 45.623 45.100 0.031 0.000 0.784 401 G HN 0.290 nan 8.290 nan 0.000 0.542 402 Q N 1.559 121.387 119.800 0.048 0.000 2.296 402 Q HA 0.086 4.426 4.340 0.000 0.000 0.263 402 Q C -0.714 175.339 176.000 0.089 0.000 1.026 402 Q CA 0.109 55.948 55.803 0.060 0.000 0.912 402 Q CB 0.540 29.314 28.738 0.060 0.000 1.198 402 Q HN 0.217 nan 8.270 nan 0.000 0.407 403 E N 4.955 125.197 120.200 0.070 0.000 2.081 403 E HA 0.096 4.447 4.350 0.000 0.000 0.281 403 E C -0.448 176.194 176.600 0.071 0.000 0.986 403 E CA -0.452 55.985 56.400 0.061 0.000 0.796 403 E CB 0.171 29.871 29.700 0.001 0.000 1.085 403 E HN 0.429 nan 8.360 nan 0.000 0.398 404 Y N 0.787 121.090 120.300 0.006 0.000 2.316 404 Y HA 0.386 4.936 4.550 0.000 0.000 0.324 404 Y C 0.081 175.984 175.900 0.004 0.000 1.267 404 Y CA -1.029 57.074 58.100 0.005 0.000 1.311 404 Y CB 0.751 39.213 38.460 0.004 0.000 1.267 404 Y HN 0.334 nan 8.280 nan 0.000 0.516 405 Q N 3.587 123.324 119.800 -0.106 0.000 2.271 405 Q HA 0.250 4.590 4.340 0.000 0.000 0.258 405 Q C -0.829 175.143 176.000 -0.047 0.000 0.936 405 Q CA -1.021 54.682 55.803 -0.167 0.000 0.909 405 Q CB 1.195 29.904 28.738 -0.047 0.000 1.253 405 Q HN 0.837 nan 8.270 nan 0.000 0.440 406 K N 2.094 122.430 120.400 -0.107 0.000 2.436 406 K HA 0.155 4.475 4.320 0.000 0.000 0.275 406 K C -0.107 176.528 176.600 0.058 0.000 0.999 406 K CA 0.173 56.495 56.287 0.058 0.000 0.980 406 K CB 0.380 32.902 32.500 0.036 0.000 0.919 406 K HN 0.793 nan 8.250 nan 0.000 0.484 407 G N 1.277 110.112 108.800 0.057 0.000 2.442 407 G HA2 0.359 4.320 3.960 0.000 0.000 0.249 407 G HA3 0.359 4.320 3.960 0.000 0.000 0.249 407 G C 0.719 175.587 174.900 -0.054 0.000 1.263 407 G CA 0.018 45.092 45.100 -0.044 0.000 0.846 407 G HN 0.978 nan 8.290 nan 0.000 0.555 408 G N -0.354 108.385 108.800 -0.102 0.000 2.155 408 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 408 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 408 G C 0.956 175.849 174.900 -0.011 0.000 0.983 408 G CA 0.615 45.661 45.100 -0.090 0.000 0.676 408 G HN 1.807 nan 8.290 nan 0.000 0.528 409 C N 0.561 119.859 119.300 -0.004 0.000 2.638 409 C HA 0.497 4.957 4.460 0.000 0.000 0.400 409 C C 2.023 176.988 174.990 -0.042 0.000 1.421 409 C CA 1.559 60.574 59.018 -0.006 0.000 1.492 409 C CB -1.124 26.606 27.740 -0.016 0.000 2.372 409 C HN 2.264 nan 8.230 nan 0.000 0.618 410 G N 3.849 112.632 108.800 -0.028 0.000 2.211 410 G HA2 0.343 4.304 3.960 0.000 0.000 0.201 410 G HA3 0.343 4.304 3.960 0.000 0.000 0.201 410 G C 1.171 176.052 174.900 -0.031 0.000 0.997 410 G CA 0.641 45.725 45.100 -0.026 0.000 0.652 410 G HN 2.814 nan 8.290 nan 0.000 0.500 411 G N -1.062 107.680 108.800 -0.096 0.000 2.545 411 G HA2 0.161 4.121 3.960 0.000 0.000 0.216 411 G HA3 0.161 4.121 3.960 0.000 0.000 0.216 411 G C 0.046 174.729 174.900 -0.361 0.000 1.314 411 G CA 0.218 45.273 45.100 -0.074 0.000 0.906 411 G HN 1.080 nan 8.290 nan 0.000 0.563 412 F N 1.615 121.668 119.950 0.171 0.000 2.772 412 F HA 0.503 5.030 4.527 0.000 0.000 0.316 412 F C 1.615 177.573 175.800 0.262 0.000 1.114 412 F CA 0.903 59.014 58.000 0.184 0.000 1.191 412 F CB 1.229 40.310 39.000 0.135 0.000 1.065 412 F HN 1.896 nan 8.300 nan 0.000 0.534 413 G N 1.070 110.078 108.800 0.346 0.000 2.140 413 G HA2 -0.307 3.653 3.960 0.000 0.000 0.211 413 G HA3 -0.307 3.653 3.960 0.000 0.000 0.211 413 G C 1.176 176.376 174.900 0.500 0.000 1.013 413 G CA 0.429 45.731 45.100 0.337 0.000 0.705 413 G HN 0.379 nan 8.290 nan 0.000 0.508 414 K N 0.132 120.814 120.400 0.470 0.000 2.063 414 K HA -0.051 4.269 4.320 0.000 0.000 0.208 414 K C 2.624 179.478 176.600 0.423 0.000 1.048 414 K CA 2.165 58.706 56.287 0.423 0.000 0.928 414 K CB -0.678 32.022 32.500 0.333 0.000 0.713 414 K HN 0.530 nan 8.250 nan 0.000 0.442 415 G N 0.525 109.509 108.800 0.308 0.000 2.471 415 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 415 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 415 G C 1.165 176.228 174.900 0.272 0.000 1.125 415 G CA 0.471 45.720 45.100 0.248 0.000 0.775 415 G HN 0.320 nan 8.290 nan 0.000 0.548 416 N N -0.274 118.600 118.700 0.289 0.000 2.336 416 N HA 0.078 4.818 4.740 0.000 0.000 0.189 416 N C 1.363 176.947 175.510 0.124 0.000 1.113 416 N CA -0.180 52.995 53.050 0.210 0.000 0.858 416 N CB -0.084 38.494 38.487 0.152 0.000 0.970 416 N HN 0.203 nan 8.380 nan 0.000 0.471 417 F N 1.652 121.588 119.950 -0.024 0.000 2.065 417 F HA -0.229 4.298 4.527 0.000 0.000 0.298 417 F C 2.714 178.470 175.800 -0.073 0.000 1.112 417 F CA 1.163 59.031 58.000 -0.221 0.000 1.212 417 F CB -0.818 38.097 39.000 -0.141 0.000 0.975 417 F HN 0.002 nan 8.300 nan 0.000 0.476 418 S N -0.605 115.309 115.700 0.357 0.000 2.378 418 S HA -0.381 4.090 4.470 0.000 0.000 0.229 418 S C 2.115 176.828 174.600 0.188 0.000 1.052 418 S CA 2.034 60.429 58.200 0.325 0.000 1.084 418 S CB -0.458 62.893 63.200 0.252 0.000 0.950 418 S HN 0.470 nan 8.310 nan 0.000 0.440 419 Q N 0.307 120.159 119.800 0.086 0.000 2.079 419 Q HA -0.003 4.337 4.340 0.000 0.000 0.200 419 Q C 2.013 177.943 176.000 -0.118 0.000 0.974 419 Q CA 1.527 57.307 55.803 -0.037 0.000 0.840 419 Q CB -0.702 27.927 28.738 -0.182 0.000 0.898 419 Q HN 0.514 nan 8.270 nan 0.000 0.430 420 L N -0.371 120.723 121.223 -0.214 0.000 2.012 420 L HA -0.108 4.232 4.340 0.000 0.000 0.210 420 L C 1.815 178.509 176.870 -0.293 0.000 1.073 420 L CA 1.808 56.427 54.840 -0.368 0.000 0.748 420 L CB -0.848 40.816 42.059 -0.659 0.000 0.891 420 L HN 0.255 nan 8.230 nan 0.000 0.431 421 F N 0.305 120.171 119.950 -0.141 0.000 2.134 421 F HA -0.187 4.341 4.527 0.000 0.000 0.299 421 F C 2.603 178.371 175.800 -0.053 0.000 1.097 421 F CA 1.784 59.734 58.000 -0.084 0.000 1.264 421 F CB -0.831 38.169 39.000 0.001 0.000 1.001 421 F HN 0.147 nan 8.300 nan 0.000 0.479 422 K N -0.245 120.247 120.400 0.153 0.000 2.097 422 K HA -0.124 4.196 4.320 0.000 0.000 0.205 422 K C 2.249 178.872 176.600 0.038 0.000 1.050 422 K CA 1.482 57.819 56.287 0.084 0.000 0.938 422 K CB -0.156 32.383 32.500 0.065 0.000 0.718 422 K HN 0.098 nan 8.250 nan 0.000 0.442 423 S N 0.812 116.504 115.700 -0.014 0.000 2.387 423 S HA -0.019 4.451 4.470 0.000 0.000 0.226 423 S C 1.812 176.409 174.600 -0.004 0.000 1.026 423 S CA 0.937 59.116 58.200 -0.035 0.000 0.972 423 S CB -0.104 63.032 63.200 -0.107 0.000 0.814 423 S HN 0.268 nan 8.310 nan 0.000 0.477 424 I N 1.193 121.748 120.570 -0.026 0.000 2.252 424 I HA -0.153 4.017 4.170 0.000 0.000 0.245 424 I C 2.675 178.839 176.117 0.078 0.000 1.102 424 I CA 1.183 62.485 61.300 0.003 0.000 1.385 424 I CB -0.284 37.685 38.000 -0.051 0.000 1.064 424 I HN 0.372 nan 8.210 nan 0.000 0.414 425 E N 1.103 121.349 120.200 0.077 0.000 2.031 425 E HA -0.261 4.089 4.350 0.000 0.000 0.193 425 E C 1.750 178.383 176.600 0.055 0.000 0.994 425 E CA 1.515 57.953 56.400 0.064 0.000 0.800 425 E CB 0.073 29.808 29.700 0.059 0.000 0.752 425 E HN 0.346 nan 8.360 nan 0.000 0.447 426 D N -0.264 120.175 120.400 0.064 0.000 2.116 426 D HA -0.208 4.432 4.640 0.000 0.000 0.193 426 D C 1.769 178.118 176.300 0.082 0.000 0.998 426 D CA 1.143 55.180 54.000 0.062 0.000 0.836 426 D CB -0.445 40.394 40.800 0.065 0.000 0.951 426 D HN 0.285 nan 8.370 nan 0.000 0.449 427 Y N 1.603 121.890 120.300 -0.021 0.000 2.224 427 Y HA -0.174 4.376 4.550 0.000 0.000 0.289 427 Y C 2.176 178.063 175.900 -0.020 0.000 1.146 427 Y CA 1.315 59.400 58.100 -0.026 0.000 1.182 427 Y CB 0.020 38.452 38.460 -0.047 0.000 0.983 427 Y HN -0.165 nan 8.280 nan 0.000 0.524 428 E N 0.962 121.145 120.200 -0.027 0.000 2.017 428 E HA -0.196 4.154 4.350 0.000 0.000 0.193 428 E C 2.053 178.587 176.600 -0.111 0.000 0.997 428 E CA 1.732 58.079 56.400 -0.088 0.000 0.804 428 E CB -0.226 29.475 29.700 0.001 0.000 0.757 428 E HN 0.498 nan 8.360 nan 0.000 0.448 429 K N 0.319 120.687 120.400 -0.054 0.000 2.103 429 K HA -0.118 4.202 4.320 0.000 0.000 0.207 429 K C 2.317 178.873 176.600 -0.074 0.000 1.048 429 K CA 1.317 57.577 56.287 -0.045 0.000 0.930 429 K CB -0.306 32.185 32.500 -0.015 0.000 0.716 429 K HN 0.045 nan 8.250 nan 0.000 0.444 430 S N 1.241 116.880 115.700 -0.101 0.000 2.383 430 S HA -0.095 4.375 4.470 0.000 0.000 0.229 430 S C 1.740 176.227 174.600 -0.188 0.000 1.030 430 S CA 0.927 59.053 58.200 -0.122 0.000 1.002 430 S CB -0.147 62.984 63.200 -0.115 0.000 0.829 430 S HN 0.248 nan 8.310 nan 0.000 0.467 431 L N 0.978 122.033 121.223 -0.280 0.000 2.599 431 L HA 0.232 4.572 4.340 0.000 0.000 0.230 431 L C 0.596 177.389 176.870 -0.129 0.000 1.141 431 L CA 0.122 54.812 54.840 -0.250 0.000 0.877 431 L CB -0.810 41.056 42.059 -0.322 0.000 1.009 431 L HN 0.412 nan 8.230 nan 0.000 0.447 432 E N 0.000 120.140 120.200 -0.100 0.000 2.725 432 E HA 0.000 4.350 4.350 0.000 0.000 0.291 432 E CA 0.000 56.367 56.400 -0.055 0.000 0.976 432 E CB 0.000 29.675 29.700 -0.042 0.000 0.812 432 E HN 0.000 nan 8.360 nan 0.000 0.440