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 2jcx_1_B DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 11 G C 0.000 174.853 174.900 -0.078 0.000 0.946 11 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 12 R N 0.126 120.595 120.500 -0.052 0.000 2.255 12 R HA 0.604 4.942 4.340 -0.003 0.000 0.326 12 R C -0.434 175.864 176.300 -0.003 0.000 0.986 12 R CA -0.496 55.572 56.100 -0.053 0.000 0.847 12 R CB 0.576 30.861 30.300 -0.024 0.000 1.111 12 R HN 0.371 nan 8.270 nan 0.000 0.452 13 L N 5.067 126.303 121.223 0.022 0.000 2.305 13 L HA 0.409 4.747 4.340 -0.003 0.000 0.281 13 L C 0.342 177.304 176.870 0.155 0.000 1.085 13 L CA -0.442 54.468 54.840 0.117 0.000 0.813 13 L CB 1.200 43.388 42.059 0.214 0.000 1.157 13 L HN 0.480 nan 8.230 nan 0.000 0.436 14 R N 2.701 123.263 120.500 0.104 0.000 2.267 14 R HA 0.430 4.768 4.340 -0.003 0.000 0.319 14 R C -0.988 175.361 176.300 0.083 0.000 1.067 14 R CA -0.413 55.739 56.100 0.086 0.000 0.936 14 R CB 1.048 31.382 30.300 0.056 0.000 1.006 14 R HN 0.324 nan 8.270 nan 0.000 0.452 15 V N 4.193 124.152 119.914 0.075 0.000 2.448 15 V HA 0.278 4.396 4.120 -0.003 0.000 0.295 15 V C -0.067 176.036 176.094 0.014 0.000 1.025 15 V CA -0.930 61.393 62.300 0.038 0.000 0.859 15 V CB 1.965 33.793 31.823 0.008 0.000 0.988 15 V HN 0.435 nan 8.190 nan 0.000 0.431 16 V N 5.490 125.403 119.914 -0.002 0.000 2.407 16 V HA 0.362 4.480 4.120 -0.003 0.000 0.278 16 V C -0.030 176.048 176.094 -0.026 0.000 1.037 16 V CA -0.443 61.849 62.300 -0.013 0.000 0.900 16 V CB 1.797 33.605 31.823 -0.024 0.000 0.983 16 V HN 0.643 nan 8.190 nan 0.000 0.459 17 V N 7.187 127.086 119.914 -0.023 0.000 2.333 17 V HA 0.407 4.525 4.120 -0.003 0.000 0.274 17 V C -0.066 176.013 176.094 -0.026 0.000 1.028 17 V CA -0.402 61.879 62.300 -0.031 0.000 0.851 17 V CB 1.133 32.937 31.823 -0.032 0.000 1.000 17 V HN 0.612 nan 8.190 nan 0.000 0.456 18 L N 4.230 125.434 121.223 -0.032 0.000 2.275 18 L HA 0.738 5.077 4.340 -0.003 0.000 0.288 18 L C 1.049 177.904 176.870 -0.025 0.000 1.046 18 L CA -0.328 54.495 54.840 -0.027 0.000 0.805 18 L CB 1.260 43.299 42.059 -0.033 0.000 1.193 18 L HN 0.869 nan 8.230 nan 0.000 0.426 19 G N 1.637 110.429 108.800 -0.014 0.000 2.370 19 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.268 19 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.268 19 G C 0.693 175.580 174.900 -0.021 0.000 1.122 19 G CA 0.327 45.418 45.100 -0.014 0.000 0.963 19 G HN 0.822 nan 8.290 nan 0.000 0.500 20 S N -1.323 114.372 115.700 -0.009 0.000 2.489 20 S HA 0.013 4.481 4.470 -0.003 0.000 0.228 20 S C 2.121 176.711 174.600 -0.016 0.000 0.995 20 S CA 1.746 59.939 58.200 -0.012 0.000 0.934 20 S CB -0.082 63.120 63.200 0.002 0.000 0.771 20 S HN 1.499 nan 8.310 nan 0.000 0.522 21 T N -1.851 112.694 114.554 -0.015 0.000 3.086 21 T HA 0.428 4.776 4.350 -0.003 0.000 0.250 21 T C 0.978 175.604 174.700 -0.124 0.000 1.074 21 T CA 0.119 62.195 62.100 -0.040 0.000 0.988 21 T CB -0.073 68.803 68.868 0.013 0.000 0.988 21 T HN 0.398 nan 8.240 nan 0.000 0.530 22 G N 0.578 109.316 108.800 -0.104 0.000 2.563 22 G HA2 0.388 4.347 3.960 -0.003 0.000 0.283 22 G HA3 0.388 4.347 3.960 -0.003 0.000 0.283 22 G C 0.967 175.773 174.900 -0.156 0.000 1.309 22 G CA -0.007 45.005 45.100 -0.147 0.000 1.022 22 G HN 0.157 nan 8.290 nan 0.000 0.501 23 S N -1.076 114.510 115.700 -0.191 0.000 2.351 23 S HA -0.157 4.312 4.470 -0.003 0.000 0.220 23 S C 2.378 176.909 174.600 -0.116 0.000 1.035 23 S CA 1.214 59.303 58.200 -0.185 0.000 1.031 23 S CB -0.356 62.719 63.200 -0.209 0.000 0.928 23 S HN 0.374 nan 8.310 nan 0.000 0.433 24 I N 1.775 122.286 120.570 -0.099 0.000 2.142 24 I HA -0.097 4.072 4.170 -0.003 0.000 0.240 24 I C 2.804 178.879 176.117 -0.071 0.000 1.078 24 I CA 1.642 62.895 61.300 -0.078 0.000 1.343 24 I CB -2.186 35.773 38.000 -0.069 0.000 1.046 24 I HN 0.481 nan 8.210 nan 0.000 0.405 25 G N 0.911 109.670 108.800 -0.068 0.000 2.446 25 G HA2 -0.309 3.650 3.960 -0.003 0.000 0.217 25 G HA3 -0.309 3.650 3.960 -0.003 0.000 0.217 25 G C 1.710 176.581 174.900 -0.049 0.000 1.168 25 G CA 1.892 46.958 45.100 -0.057 0.000 0.771 25 G HN 0.500 nan 8.290 nan 0.000 0.551 26 T N -1.399 113.126 114.554 -0.048 0.000 2.857 26 T HA -0.065 4.284 4.350 -0.003 0.000 0.266 26 T C 2.251 176.938 174.700 -0.021 0.000 1.048 26 T CA 1.521 63.606 62.100 -0.025 0.000 1.139 26 T CB -0.336 68.525 68.868 -0.011 0.000 0.874 26 T HN 0.402 nan 8.240 nan 0.000 0.455 27 Q N 1.061 120.840 119.800 -0.034 0.000 2.084 27 Q HA 0.045 4.383 4.340 -0.003 0.000 0.202 27 Q C 2.841 178.815 176.000 -0.045 0.000 0.978 27 Q CA 1.432 57.216 55.803 -0.031 0.000 0.844 27 Q CB -0.492 28.222 28.738 -0.039 0.000 0.898 27 Q HN 0.730 nan 8.270 nan 0.000 0.426 28 A N 1.062 123.843 122.820 -0.065 0.000 1.883 28 A HA -0.180 4.138 4.320 -0.003 0.000 0.217 28 A C 2.079 179.608 177.584 -0.091 0.000 1.186 28 A CA 1.186 53.162 52.037 -0.101 0.000 0.624 28 A CB -0.760 18.173 19.000 -0.112 0.000 0.822 28 A HN 0.299 nan 8.150 nan 0.000 0.444 29 L N -0.881 120.309 121.223 -0.054 0.000 2.083 29 L HA -0.272 4.066 4.340 -0.003 0.000 0.209 29 L C 2.907 179.772 176.870 -0.008 0.000 1.083 29 L CA 1.583 56.406 54.840 -0.028 0.000 0.752 29 L CB -0.588 41.465 42.059 -0.010 0.000 0.899 29 L HN 0.518 nan 8.230 nan 0.000 0.433 30 Q N -0.683 119.114 119.800 -0.005 0.000 2.050 30 Q HA -0.181 4.158 4.340 -0.003 0.000 0.202 30 Q C 2.377 178.388 176.000 0.019 0.000 0.980 30 Q CA 1.535 57.345 55.803 0.012 0.000 0.840 30 Q CB -0.204 28.542 28.738 0.014 0.000 0.898 30 Q HN 0.344 nan 8.270 nan 0.000 0.424 31 V N 1.159 121.072 119.914 -0.002 0.000 2.287 31 V HA -0.290 3.829 4.120 -0.003 0.000 0.248 31 V C 2.145 178.283 176.094 0.073 0.000 1.053 31 V CA 1.744 64.055 62.300 0.018 0.000 1.027 31 V CB -0.502 31.294 31.823 -0.046 0.000 0.646 31 V HN 0.346 nan 8.190 nan 0.000 0.447 32 I N 0.420 120.997 120.570 0.013 0.000 2.179 32 I HA -0.225 3.943 4.170 -0.003 0.000 0.242 32 I C 2.643 178.841 176.117 0.135 0.000 1.088 32 I CA 1.529 62.894 61.300 0.108 0.000 1.357 32 I CB -0.615 37.395 38.000 0.016 0.000 1.051 32 I HN 0.278 nan 8.210 nan 0.000 0.409 33 A N 0.217 123.083 122.820 0.076 0.000 1.972 33 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 33 A C 1.788 179.414 177.584 0.070 0.000 1.169 33 A CA 1.982 54.058 52.037 0.065 0.000 0.635 33 A CB -0.507 18.519 19.000 0.044 0.000 0.810 33 A HN 0.351 nan 8.150 nan 0.000 0.446 34 D N -0.073 120.374 120.400 0.079 0.000 2.347 34 D HA 0.007 4.646 4.640 -0.003 0.000 0.213 34 D C 0.061 176.414 176.300 0.089 0.000 0.985 34 D CA 0.553 54.597 54.000 0.074 0.000 0.879 34 D CB -0.037 40.804 40.800 0.068 0.000 0.919 34 D HN 0.410 nan 8.370 nan 0.000 0.526 35 N N 0.668 119.448 118.700 0.135 0.000 2.723 35 N HA 0.094 4.832 4.740 -0.003 0.000 0.290 35 N C -2.153 173.412 175.510 0.093 0.000 1.882 35 N CA -0.808 52.313 53.050 0.119 0.000 0.851 35 N CB 2.064 40.662 38.487 0.186 0.000 1.234 35 N HN 0.060 nan 8.380 nan 0.000 0.491 36 P HA -0.118 nan 4.420 nan 0.000 0.226 36 P C 0.856 178.156 177.300 -0.001 0.000 1.153 36 P CA 1.095 64.225 63.100 0.050 0.000 0.777 36 P CB 0.305 32.029 31.700 0.040 0.000 0.794 37 D N -0.217 120.162 120.400 -0.035 0.000 2.144 37 D HA -0.167 4.471 4.640 -0.003 0.000 0.199 37 D C 1.807 178.013 176.300 -0.157 0.000 0.984 37 D CA 1.033 54.988 54.000 -0.074 0.000 0.834 37 D CB -0.467 40.293 40.800 -0.068 0.000 0.955 37 D HN 0.076 nan 8.370 nan 0.000 0.465 38 R N -0.544 119.784 120.500 -0.287 0.000 2.156 38 R HA 0.267 4.605 4.340 -0.003 0.000 0.207 38 R C 0.235 176.118 176.300 -0.695 0.000 1.040 38 R CA 0.203 55.918 56.100 -0.642 0.000 1.013 38 R CB 0.080 29.699 30.300 -1.135 0.000 0.931 38 R HN 0.254 nan 8.270 nan 0.000 0.465 39 F N 0.445 120.404 119.950 0.016 0.000 2.576 39 F HA 0.320 4.845 4.527 -0.002 0.000 0.313 39 F C -0.253 175.557 175.800 0.016 0.000 1.078 39 F CA -1.231 56.780 58.000 0.018 0.000 0.921 39 F CB 2.048 41.060 39.000 0.020 0.000 1.232 39 F HN -0.135 nan 8.300 nan 0.000 0.459 40 E N 0.421 120.751 120.200 0.216 0.000 2.275 40 E HA 0.623 4.971 4.350 -0.003 0.000 0.270 40 E C -1.841 174.820 176.600 0.102 0.000 0.882 40 E CA -1.072 55.405 56.400 0.130 0.000 0.758 40 E CB 2.144 31.893 29.700 0.082 0.000 1.195 40 E HN 0.323 nan 8.360 nan 0.000 0.419 41 V N 3.176 123.134 119.914 0.074 0.000 2.555 41 V HA 0.105 4.223 4.120 -0.003 0.000 0.286 41 V C 0.951 177.072 176.094 0.045 0.000 1.044 41 V CA 0.053 62.381 62.300 0.047 0.000 1.026 41 V CB 0.891 32.735 31.823 0.034 0.000 0.981 41 V HN 0.777 nan 8.190 nan 0.000 0.480 42 V N 0.919 120.855 119.914 0.038 0.000 3.398 42 V HA 0.745 4.864 4.120 -0.003 0.000 0.298 42 V C 0.529 176.644 176.094 0.035 0.000 1.496 42 V CA 0.503 62.826 62.300 0.038 0.000 1.044 42 V CB 0.293 32.139 31.823 0.037 0.000 0.880 42 V HN 1.010 nan 8.190 nan 0.000 0.443 43 G N 0.510 109.326 108.800 0.027 0.000 2.733 43 G HA2 0.659 4.618 3.960 -0.003 0.000 0.297 43 G HA3 0.659 4.618 3.960 -0.003 0.000 0.297 43 G C -1.855 173.055 174.900 0.017 0.000 1.452 43 G CA -0.654 44.460 45.100 0.023 0.000 0.940 43 G HN 0.217 nan 8.290 nan 0.000 0.547 44 L N 0.822 122.062 121.223 0.028 0.000 2.408 44 L HA 0.855 5.193 4.340 -0.003 0.000 0.268 44 L C 0.076 176.964 176.870 0.030 0.000 0.986 44 L CA -1.005 53.849 54.840 0.024 0.000 0.820 44 L CB 2.408 44.487 42.059 0.034 0.000 1.303 44 L HN 0.809 nan 8.230 nan 0.000 0.411 45 A N 2.256 125.087 122.820 0.018 0.000 2.393 45 A HA 0.984 5.303 4.320 -0.003 0.000 0.306 45 A C -0.943 176.657 177.584 0.027 0.000 1.050 45 A CA -0.213 51.838 52.037 0.023 0.000 0.724 45 A CB 1.889 20.888 19.000 -0.003 0.000 1.248 45 A HN 0.820 nan 8.150 nan 0.000 0.424 46 A N 0.708 123.554 122.820 0.044 0.000 2.564 46 A HA 0.790 5.108 4.320 -0.003 0.000 0.288 46 A C 0.888 178.505 177.584 0.055 0.000 1.164 46 A CA 0.000 52.067 52.037 0.049 0.000 0.712 46 A CB 0.578 19.617 19.000 0.065 0.000 1.303 46 A HN 1.740 nan 8.150 nan 0.000 0.418 47 G N -1.237 107.599 108.800 0.059 0.000 2.408 47 G HA2 0.393 4.351 3.960 -0.003 0.000 0.215 47 G HA3 0.393 4.351 3.960 -0.003 0.000 0.215 47 G C 1.194 176.126 174.900 0.054 0.000 1.156 47 G CA 1.373 46.504 45.100 0.052 0.000 0.793 47 G HN 2.388 nan 8.290 nan 0.000 0.535 48 G N -0.806 108.031 108.800 0.061 0.000 2.284 48 G HA2 0.033 3.992 3.960 -0.003 0.000 0.201 48 G HA3 0.033 3.992 3.960 -0.003 0.000 0.201 48 G C 1.431 176.336 174.900 0.009 0.000 0.998 48 G CA 0.982 46.109 45.100 0.046 0.000 0.651 48 G HN 1.116 nan 8.290 nan 0.000 0.489 49 A N 0.057 122.863 122.820 -0.024 0.000 1.972 49 A HA 0.186 4.504 4.320 -0.003 0.000 0.219 49 A C 1.321 178.707 177.584 -0.331 0.000 1.169 49 A CA 2.025 53.962 52.037 -0.168 0.000 0.635 49 A CB -0.385 18.494 19.000 -0.201 0.000 0.810 49 A HN 0.750 nan 8.150 nan 0.000 0.446 50 H N -1.287 117.805 119.070 0.037 0.000 2.505 50 H HA 0.344 4.898 4.556 -0.003 0.000 0.260 50 H C 0.912 176.264 175.328 0.040 0.000 1.232 50 H CA -0.368 55.706 56.048 0.044 0.000 0.991 50 H CB 0.433 30.225 29.762 0.050 0.000 1.729 50 H HN 0.305 nan 8.280 nan 0.000 0.561 51 L N 0.273 121.548 121.223 0.086 0.000 2.081 51 L HA -0.188 4.151 4.340 -0.003 0.000 0.212 51 L C 1.248 178.160 176.870 0.071 0.000 1.080 51 L CA 1.925 56.806 54.840 0.069 0.000 0.754 51 L CB -0.018 42.065 42.059 0.041 0.000 0.893 51 L HN 0.327 nan 8.230 nan 0.000 0.433 52 D N -1.019 119.424 120.400 0.072 0.000 2.123 52 D HA -0.171 4.468 4.640 -0.003 0.000 0.196 52 D C 2.120 178.465 176.300 0.074 0.000 0.992 52 D CA 1.874 55.913 54.000 0.064 0.000 0.833 52 D CB -0.472 40.364 40.800 0.060 0.000 0.954 52 D HN 0.378 nan 8.370 nan 0.000 0.455 53 T N 1.211 115.828 114.554 0.105 0.000 2.684 53 T HA -0.158 4.190 4.350 -0.003 0.000 0.267 53 T C 1.913 176.656 174.700 0.071 0.000 1.036 53 T CA 0.710 62.865 62.100 0.092 0.000 1.148 53 T CB -0.438 68.495 68.868 0.108 0.000 0.863 53 T HN 0.036 nan 8.240 nan 0.000 0.436 54 L N 1.032 122.302 121.223 0.078 0.000 2.013 54 L HA -0.043 4.295 4.340 -0.003 0.000 0.212 54 L C 2.173 179.075 176.870 0.052 0.000 1.073 54 L CA 1.659 56.536 54.840 0.062 0.000 0.753 54 L CB -0.729 41.371 42.059 0.068 0.000 0.890 54 L HN 0.277 nan 8.230 nan 0.000 0.432 55 L N -1.132 120.121 121.223 0.050 0.000 2.083 55 L HA -0.184 4.154 4.340 -0.003 0.000 0.209 55 L C 2.757 179.649 176.870 0.036 0.000 1.083 55 L CA 1.111 55.975 54.840 0.040 0.000 0.752 55 L CB -0.546 41.533 42.059 0.034 0.000 0.899 55 L HN 0.266 nan 8.230 nan 0.000 0.433 56 R N -0.166 120.357 120.500 0.038 0.000 2.081 56 R HA -0.170 4.168 4.340 -0.003 0.000 0.235 56 R C 2.297 178.617 176.300 0.033 0.000 1.131 56 R CA 1.306 57.426 56.100 0.034 0.000 0.960 56 R CB -0.273 30.049 30.300 0.036 0.000 0.856 56 R HN 0.507 nan 8.270 nan 0.000 0.436 57 Q N -0.000 119.822 119.800 0.037 0.000 2.084 57 Q HA -0.181 4.157 4.340 -0.003 0.000 0.202 57 Q C 2.191 178.211 176.000 0.033 0.000 0.978 57 Q CA 1.390 57.213 55.803 0.034 0.000 0.844 57 Q CB -0.164 28.595 28.738 0.034 0.000 0.898 57 Q HN 0.264 nan 8.270 nan 0.000 0.426 58 R N 0.635 121.156 120.500 0.036 0.000 2.073 58 R HA -0.164 4.174 4.340 -0.003 0.000 0.234 58 R C 2.186 178.504 176.300 0.030 0.000 1.134 58 R CA 1.399 57.520 56.100 0.035 0.000 0.952 58 R CB -0.323 30.000 30.300 0.037 0.000 0.850 58 R HN 0.228 nan 8.270 nan 0.000 0.433 59 A N 0.704 123.540 122.820 0.027 0.000 1.883 59 A HA -0.229 4.089 4.320 -0.003 0.000 0.217 59 A C 2.117 179.715 177.584 0.023 0.000 1.186 59 A CA 1.686 53.737 52.037 0.023 0.000 0.624 59 A CB -0.552 18.461 19.000 0.021 0.000 0.822 59 A HN 0.555 nan 8.150 nan 0.000 0.444 60 Q N -0.913 118.902 119.800 0.024 0.000 2.046 60 Q HA -0.116 4.222 4.340 -0.003 0.000 0.200 60 Q C 2.329 178.344 176.000 0.025 0.000 0.975 60 Q CA 2.125 57.942 55.803 0.024 0.000 0.836 60 Q CB -0.339 28.414 28.738 0.025 0.000 0.896 60 Q HN 0.872 nan 8.270 nan 0.000 0.428 61 T N -3.924 110.646 114.554 0.028 0.000 3.054 61 T HA 0.192 4.540 4.350 -0.003 0.000 0.259 61 T C 1.526 176.244 174.700 0.030 0.000 1.092 61 T CA 0.636 62.754 62.100 0.030 0.000 1.121 61 T CB 0.281 69.168 68.868 0.032 0.000 0.912 61 T HN 0.472 nan 8.240 nan 0.000 0.489 62 G N 0.820 109.637 108.800 0.029 0.000 2.179 62 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.260 62 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.260 62 G C 0.116 175.035 174.900 0.032 0.000 0.977 62 G CA 0.008 45.125 45.100 0.028 0.000 0.641 62 G HN 0.733 nan 8.290 nan 0.000 0.533 63 V N 2.231 122.167 119.914 0.035 0.000 2.439 63 V HA 0.410 4.528 4.120 -0.003 0.000 0.271 63 V C 1.705 177.826 176.094 0.045 0.000 1.040 63 V CA 1.163 63.488 62.300 0.041 0.000 1.002 63 V CB 0.947 32.795 31.823 0.042 0.000 1.000 63 V HN 0.678 nan 8.190 nan 0.000 0.477 64 T N 0.483 115.065 114.554 0.048 0.000 3.040 64 T HA 0.059 4.407 4.350 -0.003 0.000 0.250 64 T C 0.825 175.568 174.700 0.071 0.000 1.058 64 T CA -0.101 62.029 62.100 0.050 0.000 0.988 64 T CB -0.301 68.589 68.868 0.037 0.000 0.993 64 T HN 0.443 nan 8.240 nan 0.000 0.519 65 N N 2.701 121.453 118.700 0.086 0.000 2.739 65 N HA 0.301 5.040 4.740 -0.003 0.000 0.266 65 N C -0.370 175.226 175.510 0.144 0.000 1.168 65 N CA -0.709 52.422 53.050 0.136 0.000 1.055 65 N CB -0.526 38.033 38.487 0.121 0.000 1.393 65 N HN 0.737 nan 8.380 nan 0.000 0.514 66 I N -1.067 119.607 120.570 0.173 0.000 2.785 66 I HA 0.905 5.073 4.170 -0.003 0.000 0.302 66 I C -1.034 175.215 176.117 0.221 0.000 1.069 66 I CA -1.390 60.000 61.300 0.150 0.000 1.045 66 I CB 2.291 40.352 38.000 0.101 0.000 1.236 66 I HN 0.226 nan 8.210 nan 0.000 0.429 67 A N 4.697 127.613 122.820 0.161 0.000 2.371 67 A HA 0.811 5.130 4.320 -0.003 0.000 0.311 67 A C -1.165 176.494 177.584 0.126 0.000 1.068 67 A CA -0.609 51.533 52.037 0.175 0.000 0.744 67 A CB 1.842 20.903 19.000 0.100 0.000 1.239 67 A HN 0.577 nan 8.150 nan 0.000 0.435 68 V N 2.269 122.271 119.914 0.146 0.000 2.483 68 V HA 0.496 4.614 4.120 -0.003 0.000 0.297 68 V C 1.092 177.258 176.094 0.120 0.000 1.027 68 V CA 0.188 62.558 62.300 0.118 0.000 0.855 68 V CB 1.211 33.101 31.823 0.112 0.000 0.995 68 V HN 1.232 nan 8.190 nan 0.000 0.424 69 A N 2.783 125.654 122.820 0.085 0.000 1.929 69 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 69 A C 1.148 178.779 177.584 0.077 0.000 1.176 69 A CA 1.007 53.087 52.037 0.072 0.000 0.628 69 A CB -0.109 18.918 19.000 0.045 0.000 0.816 69 A HN 0.791 nan 8.150 nan 0.000 0.444 70 D N 0.137 120.580 120.400 0.073 0.000 2.352 70 D HA 0.086 4.725 4.640 -0.003 0.000 0.245 70 D C 0.457 176.816 176.300 0.100 0.000 1.224 70 D CA -0.120 53.921 54.000 0.069 0.000 0.879 70 D CB 0.601 41.432 40.800 0.052 0.000 1.057 70 D HN 0.189 nan 8.370 nan 0.000 0.491 71 E N 2.602 122.871 120.200 0.114 0.000 2.097 71 E HA -0.215 4.133 4.350 -0.003 0.000 0.196 71 E C 1.530 178.214 176.600 0.139 0.000 1.000 71 E CA 1.059 57.539 56.400 0.133 0.000 0.804 71 E CB -0.105 29.682 29.700 0.146 0.000 0.740 71 E HN 0.706 nan 8.360 nan 0.000 0.454 72 H N -0.335 118.737 119.070 0.005 0.000 2.319 72 H HA -0.123 4.431 4.556 -0.002 0.000 0.299 72 H C 2.006 177.325 175.328 -0.015 0.000 1.092 72 H CA 1.197 57.240 56.048 -0.008 0.000 1.302 72 H CB 0.165 29.924 29.762 -0.005 0.000 1.373 72 H HN 0.185 nan 8.280 nan 0.000 0.497 73 A N 1.155 124.047 122.820 0.121 0.000 1.908 73 A HA -0.160 4.158 4.320 -0.003 0.000 0.218 73 A C 2.613 180.207 177.584 0.017 0.000 1.181 73 A CA 1.597 53.666 52.037 0.053 0.000 0.627 73 A CB -0.886 18.145 19.000 0.052 0.000 0.818 73 A HN 0.493 nan 8.150 nan 0.000 0.445 74 A N -1.098 121.732 122.820 0.016 0.000 1.978 74 A HA -0.184 4.135 4.320 -0.003 0.000 0.220 74 A C 1.981 179.497 177.584 -0.113 0.000 1.170 74 A CA 1.627 53.636 52.037 -0.047 0.000 0.636 74 A CB -0.456 18.510 19.000 -0.056 0.000 0.810 74 A HN 0.514 nan 8.150 nan 0.000 0.448 75 Q N -0.088 119.656 119.800 -0.094 0.000 2.297 75 Q HA -0.146 4.192 4.340 -0.003 0.000 0.208 75 Q C 1.792 177.736 176.000 -0.094 0.000 0.981 75 Q CA 1.242 56.975 55.803 -0.116 0.000 0.876 75 Q CB -0.374 28.277 28.738 -0.144 0.000 0.921 75 Q HN 0.730 nan 8.270 nan 0.000 0.446 76 R N -0.290 120.169 120.500 -0.068 0.000 2.307 76 R HA 0.037 4.375 4.340 -0.003 0.000 0.199 76 R C 1.682 177.957 176.300 -0.042 0.000 1.000 76 R CA 0.466 56.537 56.100 -0.049 0.000 1.023 76 R CB 0.409 30.691 30.300 -0.029 0.000 0.908 76 R HN 0.063 nan 8.270 nan 0.000 0.473 77 V N -2.179 117.704 119.914 -0.052 0.000 2.996 77 V HA 0.272 4.391 4.120 -0.003 0.000 0.235 77 V C 1.543 177.609 176.094 -0.047 0.000 1.205 77 V CA 0.824 63.100 62.300 -0.038 0.000 1.225 77 V CB 0.430 32.240 31.823 -0.022 0.000 0.995 77 V HN 0.428 nan 8.190 nan 0.000 0.484 78 G N 1.970 110.725 108.800 -0.076 0.000 2.267 78 G HA2 -0.290 3.669 3.960 -0.003 0.000 0.257 78 G HA3 -0.290 3.669 3.960 -0.003 0.000 0.257 78 G C 0.325 175.196 174.900 -0.048 0.000 0.998 78 G CA 0.734 45.792 45.100 -0.069 0.000 0.620 78 G HN 0.742 nan 8.290 nan 0.000 0.529 79 D N -0.004 120.377 120.400 -0.031 0.000 2.720 79 D HA 0.316 4.954 4.640 -0.003 0.000 0.285 79 D C 0.449 176.754 176.300 0.008 0.000 1.359 79 D CA -0.638 53.355 54.000 -0.011 0.000 0.818 79 D CB -0.179 40.618 40.800 -0.006 0.000 1.108 79 D HN 0.275 nan 8.370 nan 0.000 0.474 80 I N 2.258 122.841 120.570 0.022 0.000 2.337 80 I HA 0.163 4.332 4.170 -0.003 0.000 0.291 80 I C -1.157 175.023 176.117 0.104 0.000 1.046 80 I CA -2.033 59.315 61.300 0.079 0.000 1.324 80 I CB 0.962 39.033 38.000 0.119 0.000 1.409 80 I HN -0.167 nan 8.210 nan 0.000 0.494 81 P HA -0.129 nan 4.420 nan 0.000 0.218 81 P C -0.339 176.629 177.300 -0.553 0.000 1.149 81 P CA 1.484 64.404 63.100 -0.300 0.000 0.817 81 P CB 0.131 31.595 31.700 -0.393 0.000 0.785 82 Y N 0.584 120.913 120.300 0.049 0.000 2.326 82 Y HA 0.397 4.946 4.550 -0.003 0.000 0.329 82 Y C 0.869 176.783 175.900 0.023 0.000 0.973 82 Y CA -0.940 57.134 58.100 -0.042 0.000 1.162 82 Y CB 1.209 39.654 38.460 -0.024 0.000 1.147 82 Y HN 0.070 nan 8.280 nan 0.000 0.456 83 H N 0.836 119.982 119.070 0.126 0.000 2.961 83 H HA 0.825 5.380 4.556 -0.003 0.000 0.371 83 H C 0.061 175.433 175.328 0.073 0.000 1.190 83 H CA -1.095 55.004 56.048 0.085 0.000 1.138 83 H CB 1.876 31.668 29.762 0.051 0.000 1.816 83 H HN 0.894 nan 8.280 nan 0.000 0.551 84 G N 0.982 109.890 108.800 0.181 0.000 2.549 84 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.404 84 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.404 84 G C -0.509 174.430 174.900 0.065 0.000 1.292 84 G CA -0.415 44.754 45.100 0.114 0.000 0.935 84 G HN 1.301 nan 8.290 nan 0.000 0.512 85 S N 0.066 115.793 115.700 0.045 0.000 2.533 85 S HA 0.456 4.924 4.470 -0.003 0.000 0.282 85 S C 0.647 175.258 174.600 0.019 0.000 1.304 85 S CA 1.017 59.234 58.200 0.028 0.000 1.063 85 S CB 1.327 64.539 63.200 0.020 0.000 0.881 85 S HN 1.532 nan 8.310 nan 0.000 0.493 86 D N 0.641 121.048 120.400 0.011 0.000 3.090 86 D HA -0.210 4.428 4.640 -0.003 0.000 0.215 86 D C 1.107 177.406 176.300 -0.002 0.000 1.140 86 D CA 1.000 54.999 54.000 -0.001 0.000 0.937 86 D CB -1.455 39.342 40.800 -0.004 0.000 1.108 86 D HN 0.747 nan 8.370 nan 0.000 0.420 87 A N 0.618 123.451 122.820 0.021 0.000 1.883 87 A HA 0.021 4.339 4.320 -0.003 0.000 0.217 87 A C 2.532 180.094 177.584 -0.036 0.000 1.186 87 A CA 2.876 54.940 52.037 0.045 0.000 0.624 87 A CB -0.527 18.533 19.000 0.101 0.000 0.822 87 A HN 0.486 nan 8.150 nan 0.000 0.444 88 A N -1.111 121.689 122.820 -0.033 0.000 1.908 88 A HA -0.107 4.212 4.320 -0.003 0.000 0.218 88 A C 2.317 179.834 177.584 -0.112 0.000 1.181 88 A CA 2.387 54.382 52.037 -0.070 0.000 0.627 88 A CB -1.352 17.626 19.000 -0.037 0.000 0.818 88 A HN 0.447 nan 8.150 nan 0.000 0.445 89 T N -0.301 114.203 114.554 -0.084 0.000 2.684 89 T HA -0.161 4.187 4.350 -0.003 0.000 0.267 89 T C 2.062 176.684 174.700 -0.130 0.000 1.036 89 T CA 1.653 63.702 62.100 -0.086 0.000 1.148 89 T CB -0.254 68.583 68.868 -0.052 0.000 0.863 89 T HN 0.523 nan 8.240 nan 0.000 0.436 90 R N 0.355 120.765 120.500 -0.150 0.000 2.096 90 R HA 0.042 4.380 4.340 -0.003 0.000 0.235 90 R C 2.517 178.504 176.300 -0.522 0.000 1.127 90 R CA 0.992 56.968 56.100 -0.208 0.000 0.968 90 R CB -0.575 29.692 30.300 -0.054 0.000 0.861 90 R HN 0.330 nan 8.270 nan 0.000 0.440 91 L N 0.686 121.456 121.223 -0.755 0.000 2.046 91 L HA -0.166 4.172 4.340 -0.003 0.000 0.208 91 L C 2.107 178.749 176.870 -0.381 0.000 1.077 91 L CA 1.231 55.545 54.840 -0.877 0.000 0.747 91 L CB -0.132 41.563 42.059 -0.606 0.000 0.896 91 L HN -0.050 nan 8.230 nan 0.000 0.432 92 V N 0.215 119.983 119.914 -0.243 0.000 2.295 92 V HA -0.308 3.811 4.120 -0.003 0.000 0.246 92 V C 2.418 178.445 176.094 -0.112 0.000 1.049 92 V CA 2.260 64.477 62.300 -0.138 0.000 1.024 92 V CB -0.625 31.139 31.823 -0.099 0.000 0.648 92 V HN 0.516 nan 8.190 nan 0.000 0.447 93 E N -0.396 119.733 120.200 -0.118 0.000 2.160 93 E HA -0.253 4.095 4.350 -0.003 0.000 0.195 93 E C 2.026 178.593 176.600 -0.055 0.000 0.991 93 E CA 1.249 57.606 56.400 -0.073 0.000 0.810 93 E CB -0.076 29.588 29.700 -0.060 0.000 0.742 93 E HN 0.681 nan 8.360 nan 0.000 0.466 94 Q N -0.414 119.337 119.800 -0.082 0.000 2.247 94 Q HA 0.104 4.442 4.340 -0.003 0.000 0.211 94 Q C -0.346 175.653 176.000 -0.003 0.000 0.861 94 Q CA 0.150 55.944 55.803 -0.016 0.000 0.949 94 Q CB 1.418 30.189 28.738 0.056 0.000 1.115 94 Q HN -0.024 nan 8.270 nan 0.000 0.507 95 T N 1.224 115.754 114.554 -0.039 0.000 2.758 95 T HA 0.197 4.545 4.350 -0.003 0.000 0.285 95 T C -0.470 174.227 174.700 -0.005 0.000 0.981 95 T CA -0.489 61.605 62.100 -0.012 0.000 0.965 95 T CB 1.622 70.473 68.868 -0.029 0.000 0.927 95 T HN 0.045 nan 8.240 nan 0.000 0.448 96 E N 1.931 122.138 120.200 0.011 0.000 2.351 96 E HA 0.450 4.798 4.350 -0.003 0.000 0.266 96 E C -0.402 176.207 176.600 0.015 0.000 1.031 96 E CA -0.245 56.163 56.400 0.013 0.000 0.911 96 E CB 0.477 30.188 29.700 0.018 0.000 0.986 96 E HN 0.754 nan 8.360 nan 0.000 0.446 97 A N 3.782 126.610 122.820 0.014 0.000 2.606 97 A HA 0.297 4.615 4.320 -0.003 0.000 0.293 97 A C -0.371 177.229 177.584 0.026 0.000 1.082 97 A CA -0.725 51.324 52.037 0.021 0.000 0.685 97 A CB 1.421 20.427 19.000 0.011 0.000 1.284 97 A HN 0.592 nan 8.150 nan 0.000 0.408 98 D N -0.501 119.923 120.400 0.041 0.000 2.324 98 D HA 0.215 4.853 4.640 -0.003 0.000 0.212 98 D C 0.036 176.367 176.300 0.053 0.000 0.984 98 D CA 1.302 55.333 54.000 0.050 0.000 0.885 98 D CB 0.762 41.602 40.800 0.068 0.000 0.996 98 D HN 0.241 nan 8.370 nan 0.000 0.505 99 V N 1.506 121.450 119.914 0.051 0.000 2.686 99 V HA 0.299 4.417 4.120 -0.003 0.000 0.306 99 V C -0.345 175.755 176.094 0.009 0.000 1.065 99 V CA -0.867 61.456 62.300 0.039 0.000 0.894 99 V CB 2.864 34.724 31.823 0.062 0.000 1.004 99 V HN -0.266 nan 8.190 nan 0.000 0.424 100 V N 5.541 125.450 119.914 -0.008 0.000 2.357 100 V HA 0.415 4.534 4.120 -0.003 0.000 0.284 100 V C -0.300 175.772 176.094 -0.036 0.000 1.018 100 V CA -0.520 61.765 62.300 -0.025 0.000 0.841 100 V CB 1.555 33.359 31.823 -0.031 0.000 0.991 100 V HN 0.697 nan 8.190 nan 0.000 0.437 101 L N 5.385 126.582 121.223 -0.044 0.000 2.261 101 L HA 0.502 4.840 4.340 -0.003 0.000 0.289 101 L C 0.136 176.977 176.870 -0.049 0.000 1.059 101 L CA 0.312 55.120 54.840 -0.054 0.000 0.816 101 L CB 0.667 42.685 42.059 -0.068 0.000 1.191 101 L HN 0.606 nan 8.230 nan 0.000 0.431 102 N N 4.477 123.147 118.700 -0.049 0.000 2.645 102 N HA 0.375 5.113 4.740 -0.003 0.000 0.233 102 N C -0.114 175.369 175.510 -0.044 0.000 1.058 102 N CA 0.226 53.249 53.050 -0.045 0.000 0.942 102 N CB 1.196 39.655 38.487 -0.046 0.000 1.210 102 N HN 0.712 nan 8.380 nan 0.000 0.512 103 A N 4.568 127.362 122.820 -0.042 0.000 2.610 103 A HA 0.298 4.617 4.320 -0.003 0.000 0.286 103 A C 0.503 178.066 177.584 -0.035 0.000 1.306 103 A CA -0.410 51.602 52.037 -0.042 0.000 0.942 103 A CB -0.256 18.714 19.000 -0.049 0.000 1.112 103 A HN 0.582 nan 8.150 nan 0.000 0.527 104 L N -0.102 121.104 121.223 -0.029 0.000 2.464 104 L HA 0.294 4.632 4.340 -0.003 0.000 0.264 104 L C -0.127 176.731 176.870 -0.020 0.000 1.199 104 L CA -0.357 54.470 54.840 -0.021 0.000 0.818 104 L CB 1.077 43.125 42.059 -0.019 0.000 1.102 104 L HN 0.048 nan 8.230 nan 0.000 0.473 105 V N 1.008 120.913 119.914 -0.014 0.000 2.483 105 V HA 0.775 4.893 4.120 -0.003 0.000 0.295 105 V C 0.578 176.666 176.094 -0.010 0.000 1.035 105 V CA 0.170 62.462 62.300 -0.013 0.000 0.896 105 V CB 0.874 32.689 31.823 -0.012 0.000 0.986 105 V HN 1.059 nan 8.190 nan 0.000 0.447 106 G N 3.917 112.711 108.800 -0.010 0.000 2.681 106 G HA2 0.111 4.070 3.960 -0.003 0.000 0.220 106 G HA3 0.111 4.070 3.960 -0.003 0.000 0.220 106 G C 0.780 175.673 174.900 -0.012 0.000 1.353 106 G CA -0.013 45.081 45.100 -0.010 0.000 0.872 106 G HN 1.562 nan 8.290 nan 0.000 0.557 107 A N -0.354 122.458 122.820 -0.014 0.000 2.125 107 A HA 0.198 4.516 4.320 -0.003 0.000 0.219 107 A C 2.413 179.987 177.584 -0.016 0.000 1.156 107 A CA 2.357 54.383 52.037 -0.017 0.000 0.671 107 A CB -0.447 18.541 19.000 -0.021 0.000 0.794 107 A HN 1.855 nan 8.150 nan 0.000 0.459 108 L N -2.652 118.563 121.223 -0.014 0.000 2.610 108 L HA 0.165 4.503 4.340 -0.003 0.000 0.232 108 L C 1.587 178.448 176.870 -0.016 0.000 1.149 108 L CA 1.377 56.209 54.840 -0.013 0.000 0.872 108 L CB -1.050 41.005 42.059 -0.008 0.000 0.992 108 L HN 0.215 nan 8.230 nan 0.000 0.447 109 G N 0.708 109.497 108.800 -0.018 0.000 2.572 109 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.216 109 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.216 109 G C 1.393 176.276 174.900 -0.027 0.000 1.133 109 G CA 0.458 45.543 45.100 -0.024 0.000 0.791 109 G HN 0.357 nan 8.290 nan 0.000 0.538 110 L N 0.703 121.911 121.223 -0.025 0.000 2.005 110 L HA 0.116 4.454 4.340 -0.003 0.000 0.207 110 L C 2.797 179.651 176.870 -0.027 0.000 1.072 110 L CA 1.641 56.465 54.840 -0.026 0.000 0.744 110 L CB -0.556 41.489 42.059 -0.023 0.000 0.895 110 L HN 0.093 nan 8.230 nan 0.000 0.433 111 R N -0.360 120.125 120.500 -0.024 0.000 2.073 111 R HA -0.115 4.224 4.340 -0.003 0.000 0.234 111 R C -0.101 176.180 176.300 -0.032 0.000 1.134 111 R CA 1.780 57.865 56.100 -0.025 0.000 0.952 111 R CB -1.738 28.549 30.300 -0.021 0.000 0.850 111 R HN 0.404 nan 8.270 nan 0.000 0.433 112 P HA -0.113 nan 4.420 nan 0.000 0.216 112 P C 1.123 178.398 177.300 -0.043 0.000 1.150 112 P CA 1.438 64.512 63.100 -0.043 0.000 0.837 112 P CB -0.049 31.626 31.700 -0.043 0.000 0.786 113 T N -0.193 114.337 114.554 -0.041 0.000 2.652 113 T HA -0.148 4.201 4.350 -0.003 0.000 0.267 113 T C 1.718 176.393 174.700 -0.042 0.000 1.039 113 T CA 1.280 63.353 62.100 -0.044 0.000 1.153 113 T CB -1.011 67.829 68.868 -0.046 0.000 0.863 113 T HN 0.046 nan 8.240 nan 0.000 0.428 114 L N 0.642 121.843 121.223 -0.037 0.000 2.042 114 L HA -0.135 4.203 4.340 -0.003 0.000 0.210 114 L C 3.018 179.868 176.870 -0.032 0.000 1.076 114 L CA 1.394 56.214 54.840 -0.033 0.000 0.749 114 L CB -0.679 41.363 42.059 -0.027 0.000 0.893 114 L HN 0.244 nan 8.230 nan 0.000 0.432 115 A N -0.096 122.703 122.820 -0.035 0.000 1.898 115 A HA -0.128 4.191 4.320 -0.003 0.000 0.216 115 A C 2.533 180.094 177.584 -0.038 0.000 1.181 115 A CA 1.642 53.657 52.037 -0.037 0.000 0.620 115 A CB -0.676 18.297 19.000 -0.045 0.000 0.819 115 A HN 0.399 nan 8.150 nan 0.000 0.442 116 A N -0.176 122.620 122.820 -0.040 0.000 1.902 116 A HA -0.021 4.297 4.320 -0.003 0.000 0.217 116 A C 2.150 179.715 177.584 -0.032 0.000 1.181 116 A CA 1.432 53.447 52.037 -0.038 0.000 0.623 116 A CB -0.598 18.377 19.000 -0.041 0.000 0.818 116 A HN 0.471 nan 8.150 nan 0.000 0.443 117 L N -0.682 120.520 121.223 -0.034 0.000 2.046 117 L HA -0.206 4.132 4.340 -0.003 0.000 0.208 117 L C 2.624 179.479 176.870 -0.025 0.000 1.077 117 L CA 1.938 56.759 54.840 -0.032 0.000 0.747 117 L CB -0.436 41.600 42.059 -0.038 0.000 0.896 117 L HN 0.443 nan 8.230 nan 0.000 0.432 118 K N 0.068 120.454 120.400 -0.024 0.000 2.097 118 K HA -0.190 4.129 4.320 -0.003 0.000 0.206 118 K C 2.101 178.691 176.600 -0.016 0.000 1.049 118 K CA 1.839 58.114 56.287 -0.019 0.000 0.933 118 K CB -0.067 32.422 32.500 -0.019 0.000 0.717 118 K HN 0.436 nan 8.250 nan 0.000 0.442 119 T N -3.110 111.434 114.554 -0.018 0.000 2.962 119 T HA 0.015 4.364 4.350 -0.003 0.000 0.270 119 T C 1.446 176.142 174.700 -0.007 0.000 1.088 119 T CA 1.141 63.233 62.100 -0.013 0.000 1.127 119 T CB -0.267 68.591 68.868 -0.017 0.000 0.883 119 T HN 0.437 nan 8.240 nan 0.000 0.493 120 G N 1.042 109.837 108.800 -0.008 0.000 2.176 120 G HA2 -0.032 3.926 3.960 -0.003 0.000 0.253 120 G HA3 -0.032 3.926 3.960 -0.003 0.000 0.253 120 G C 0.309 175.211 174.900 0.003 0.000 0.979 120 G CA 0.019 45.117 45.100 -0.003 0.000 0.641 120 G HN 1.216 nan 8.290 nan 0.000 0.530 121 A N -0.206 122.614 122.820 0.000 0.000 2.366 121 A HA 0.714 5.033 4.320 -0.003 0.000 0.249 121 A C 0.799 178.387 177.584 0.007 0.000 1.084 121 A CA 0.557 52.598 52.037 0.008 0.000 0.794 121 A CB 0.249 19.251 19.000 0.003 0.000 1.034 121 A HN 0.806 nan 8.150 nan 0.000 0.491 122 R N -0.198 120.316 120.500 0.022 0.000 2.537 122 R HA 0.279 4.617 4.340 -0.003 0.000 0.280 122 R C -0.843 175.454 176.300 -0.004 0.000 1.058 122 R CA -0.139 55.973 56.100 0.020 0.000 1.057 122 R CB 0.137 30.473 30.300 0.060 0.000 0.973 122 R HN 0.538 nan 8.270 nan 0.000 0.438 123 L N 4.615 125.819 121.223 -0.031 0.000 2.283 123 L HA 0.427 4.765 4.340 -0.003 0.000 0.281 123 L C -0.796 176.033 176.870 -0.068 0.000 1.033 123 L CA -0.082 54.728 54.840 -0.049 0.000 0.848 123 L CB 1.152 43.174 42.059 -0.062 0.000 1.226 123 L HN 0.750 nan 8.230 nan 0.000 0.429 124 A N 5.423 128.210 122.820 -0.055 0.000 2.410 124 A HA 0.448 4.766 4.320 -0.003 0.000 0.292 124 A C -0.622 176.920 177.584 -0.071 0.000 1.232 124 A CA -0.267 51.730 52.037 -0.066 0.000 0.893 124 A CB -0.291 18.679 19.000 -0.050 0.000 1.131 124 A HN 0.683 nan 8.150 nan 0.000 0.530 125 L N 3.428 124.599 121.223 -0.087 0.000 2.280 125 L HA 0.651 4.989 4.340 -0.003 0.000 0.287 125 L C 0.763 177.598 176.870 -0.058 0.000 1.023 125 L CA 0.448 55.241 54.840 -0.078 0.000 0.819 125 L CB 1.365 43.363 42.059 -0.101 0.000 1.212 125 L HN 0.647 nan 8.230 nan 0.000 0.420 126 A N 3.965 126.758 122.820 -0.045 0.000 2.013 126 A HA 0.108 4.427 4.320 -0.003 0.000 0.204 126 A C 0.962 178.533 177.584 -0.022 0.000 1.262 126 A CA -0.019 52.000 52.037 -0.029 0.000 0.800 126 A CB -0.320 18.657 19.000 -0.038 0.000 0.909 126 A HN 0.752 nan 8.150 nan 0.000 0.472 127 N N 1.060 119.742 118.700 -0.030 0.000 2.386 127 N HA -0.064 4.674 4.740 -0.003 0.000 0.273 127 N C 0.537 176.037 175.510 -0.018 0.000 1.331 127 N CA 0.301 53.337 53.050 -0.025 0.000 0.891 127 N CB 0.467 38.936 38.487 -0.030 0.000 1.139 127 N HN 0.374 nan 8.380 nan 0.000 0.487 128 K N 3.071 123.469 120.400 -0.003 0.000 2.097 128 K HA -0.142 4.176 4.320 -0.003 0.000 0.205 128 K C 1.129 177.733 176.600 0.005 0.000 1.050 128 K CA 1.276 57.571 56.287 0.013 0.000 0.938 128 K CB 0.140 32.659 32.500 0.031 0.000 0.718 128 K HN 0.530 nan 8.250 nan 0.000 0.442 129 E N 0.574 120.774 120.200 -0.001 0.000 2.204 129 E HA -0.098 4.250 4.350 -0.003 0.000 0.195 129 E C 1.893 178.485 176.600 -0.014 0.000 0.990 129 E CA 0.843 57.241 56.400 -0.003 0.000 0.821 129 E CB -0.079 29.616 29.700 -0.007 0.000 0.750 129 E HN 0.087 nan 8.360 nan 0.000 0.477 130 S N 0.048 115.733 115.700 -0.024 0.000 2.365 130 S HA -0.142 4.326 4.470 -0.003 0.000 0.225 130 S C 1.781 176.357 174.600 -0.040 0.000 1.039 130 S CA 1.040 59.219 58.200 -0.036 0.000 1.033 130 S CB -0.136 63.035 63.200 -0.048 0.000 0.887 130 S HN 0.202 nan 8.310 nan 0.000 0.447 131 L N 0.159 121.356 121.223 -0.044 0.000 2.221 131 L HA 0.082 4.420 4.340 -0.003 0.000 0.202 131 L C 2.254 179.116 176.870 -0.013 0.000 1.074 131 L CA 0.401 55.212 54.840 -0.048 0.000 0.795 131 L CB -0.391 41.614 42.059 -0.090 0.000 0.960 131 L HN 0.151 nan 8.230 nan 0.000 0.458 132 V N 0.159 120.076 119.914 0.006 0.000 2.343 132 V HA -0.240 3.878 4.120 -0.003 0.000 0.247 132 V C 2.488 178.599 176.094 0.028 0.000 1.051 132 V CA 2.020 64.341 62.300 0.033 0.000 1.036 132 V CB -0.646 31.213 31.823 0.060 0.000 0.654 132 V HN 0.467 nan 8.190 nan 0.000 0.451 133 A N -0.071 122.755 122.820 0.011 0.000 1.920 133 A HA 0.242 4.560 4.320 -0.003 0.000 0.209 133 A C 2.324 179.903 177.584 -0.009 0.000 1.229 133 A CA 1.071 53.106 52.037 -0.002 0.000 0.671 133 A CB -0.965 18.028 19.000 -0.013 0.000 0.886 133 A HN 0.463 nan 8.150 nan 0.000 0.461 134 G N -0.748 108.044 108.800 -0.013 0.000 2.448 134 G HA2 0.268 4.227 3.960 -0.003 0.000 0.218 134 G HA3 0.268 4.227 3.960 -0.003 0.000 0.218 134 G C 1.416 176.309 174.900 -0.012 0.000 1.135 134 G CA 0.991 46.082 45.100 -0.016 0.000 0.784 134 G HN 1.284 nan 8.290 nan 0.000 0.543 135 G N 0.730 109.525 108.800 -0.009 0.000 2.693 135 G HA2 -0.451 3.507 3.960 -0.003 0.000 0.354 135 G HA3 -0.451 3.507 3.960 -0.003 0.000 0.354 135 G C 1.972 176.867 174.900 -0.008 0.000 1.207 135 G CA 2.804 47.904 45.100 0.001 0.000 0.958 135 G HN 1.423 nan 8.290 nan 0.000 0.560 136 S N 0.350 116.053 115.700 0.005 0.000 2.447 136 S HA 0.162 4.631 4.470 -0.003 0.000 0.233 136 S C 2.486 177.080 174.600 -0.011 0.000 1.006 136 S CA 1.627 59.826 58.200 -0.002 0.000 0.957 136 S CB -0.135 63.071 63.200 0.010 0.000 0.773 136 S HN 0.557 nan 8.310 nan 0.000 0.507 137 L N 0.801 122.019 121.223 -0.009 0.000 2.046 137 L HA -0.060 4.279 4.340 -0.003 0.000 0.208 137 L C 2.677 179.533 176.870 -0.024 0.000 1.077 137 L CA 1.255 56.087 54.840 -0.013 0.000 0.747 137 L CB -0.543 41.510 42.059 -0.010 0.000 0.896 137 L HN 0.291 nan 8.230 nan 0.000 0.432 138 V N -0.133 119.762 119.914 -0.032 0.000 2.323 138 V HA -0.264 3.854 4.120 -0.003 0.000 0.244 138 V C 2.359 178.419 176.094 -0.055 0.000 1.041 138 V CA 1.348 63.620 62.300 -0.046 0.000 1.025 138 V CB -0.273 31.516 31.823 -0.056 0.000 0.656 138 V HN 0.335 nan 8.190 nan 0.000 0.451 139 L N -0.448 120.741 121.223 -0.058 0.000 2.083 139 L HA -0.172 4.166 4.340 -0.003 0.000 0.209 139 L C 2.734 179.572 176.870 -0.053 0.000 1.083 139 L CA 1.622 56.421 54.840 -0.068 0.000 0.752 139 L CB -0.546 41.470 42.059 -0.072 0.000 0.899 139 L HN 0.260 nan 8.230 nan 0.000 0.433 140 R N -0.394 120.084 120.500 -0.038 0.000 2.189 140 R HA -0.055 4.283 4.340 -0.003 0.000 0.223 140 R C 2.203 178.486 176.300 -0.029 0.000 1.092 140 R CA 0.990 57.072 56.100 -0.029 0.000 0.989 140 R CB -0.186 30.102 30.300 -0.020 0.000 0.876 140 R HN 0.322 nan 8.270 nan 0.000 0.457 141 A N 0.826 123.627 122.820 -0.033 0.000 2.030 141 A HA 0.297 4.615 4.320 -0.003 0.000 0.215 141 A C 1.001 178.563 177.584 -0.036 0.000 1.164 141 A CA 0.363 52.381 52.037 -0.031 0.000 0.697 141 A CB 0.216 19.197 19.000 -0.031 0.000 0.827 141 A HN 0.266 nan 8.150 nan 0.000 0.457 142 A N 0.171 122.963 122.820 -0.047 0.000 2.327 142 A HA 0.630 4.948 4.320 -0.003 0.000 0.283 142 A C 0.264 177.821 177.584 -0.046 0.000 1.127 142 A CA -0.500 51.505 52.037 -0.053 0.000 0.810 142 A CB 0.229 19.183 19.000 -0.076 0.000 1.066 142 A HN 0.484 nan 8.150 nan 0.000 0.492 143 R N 1.475 121.953 120.500 -0.037 0.000 2.532 143 R HA 0.434 4.773 4.340 -0.003 0.000 0.272 143 R C -2.536 173.746 176.300 -0.031 0.000 1.032 143 R CA -1.681 54.403 56.100 -0.027 0.000 1.089 143 R CB 0.419 30.710 30.300 -0.014 0.000 1.098 143 R HN 0.445 nan 8.270 nan 0.000 0.526 144 P HA -0.056 nan 4.420 nan 0.000 0.260 144 P C 0.381 177.679 177.300 -0.004 0.000 1.172 144 P CA 1.157 64.247 63.100 -0.017 0.000 0.760 144 P CB 0.446 32.146 31.700 0.000 0.000 0.773 145 G N 2.613 111.403 108.800 -0.018 0.000 2.184 145 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.264 145 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.264 145 G C 1.101 175.989 174.900 -0.019 0.000 0.975 145 G CA 0.566 45.668 45.100 0.004 0.000 0.642 145 G HN 0.572 nan 8.290 nan 0.000 0.536 146 Q N -0.364 119.414 119.800 -0.038 0.000 2.119 146 Q HA 0.164 4.503 4.340 -0.003 0.000 0.201 146 Q C 1.237 177.190 176.000 -0.078 0.000 0.972 146 Q CA 0.772 56.553 55.803 -0.037 0.000 0.847 146 Q CB -0.022 28.694 28.738 -0.037 0.000 0.903 146 Q HN 0.685 nan 8.270 nan 0.000 0.433 147 I N 1.506 121.999 120.570 -0.128 0.000 2.325 147 I HA 0.156 4.325 4.170 -0.003 0.000 0.291 147 I C -0.949 175.016 176.117 -0.252 0.000 1.019 147 I CA -0.627 60.569 61.300 -0.173 0.000 1.302 147 I CB 1.624 39.508 38.000 -0.193 0.000 1.401 147 I HN -0.142 nan 8.210 nan 0.000 0.485 148 V N 8.747 128.509 119.914 -0.253 0.000 2.378 148 V HA 0.351 4.469 4.120 -0.003 0.000 0.288 148 V C -2.082 173.860 176.094 -0.255 0.000 1.016 148 V CA -1.688 60.392 62.300 -0.366 0.000 0.840 148 V CB 1.701 33.294 31.823 -0.382 0.000 0.994 148 V HN 0.590 nan 8.190 nan 0.000 0.431 149 P HA 0.207 nan 4.420 nan 0.000 0.275 149 P C 0.423 177.691 177.300 -0.054 0.000 1.228 149 P CA 0.054 63.081 63.100 -0.122 0.000 0.786 149 P CB 2.238 33.899 31.700 -0.066 0.000 0.927 150 V N 1.658 121.560 119.914 -0.019 0.000 2.949 150 V HA -0.036 4.082 4.120 -0.003 0.000 0.245 150 V C 1.366 177.456 176.094 -0.006 0.000 1.086 150 V CA 0.598 62.887 62.300 -0.019 0.000 1.097 150 V CB -1.235 30.567 31.823 -0.035 0.000 0.762 150 V HN 0.637 nan 8.190 nan 0.000 0.470 151 N N 1.090 119.809 118.700 0.031 0.000 2.356 151 N HA -0.116 4.622 4.740 -0.003 0.000 0.252 151 N C 1.524 177.001 175.510 -0.054 0.000 1.241 151 N CA 0.838 53.881 53.050 -0.013 0.000 0.861 151 N CB 0.957 39.453 38.487 0.015 0.000 1.075 151 N HN 0.282 nan 8.380 nan 0.000 0.461 152 S N 2.364 118.001 115.700 -0.104 0.000 2.383 152 S HA -0.202 4.267 4.470 -0.003 0.000 0.229 152 S C 1.286 175.836 174.600 -0.083 0.000 1.030 152 S CA 1.249 59.363 58.200 -0.143 0.000 1.002 152 S CB -0.417 62.627 63.200 -0.260 0.000 0.829 152 S HN 0.721 nan 8.310 nan 0.000 0.467 153 E N 1.141 121.276 120.200 -0.109 0.000 2.047 153 E HA -0.051 4.297 4.350 -0.003 0.000 0.191 153 E C 1.987 178.571 176.600 -0.028 0.000 0.987 153 E CA 1.684 58.029 56.400 -0.091 0.000 0.799 153 E CB -0.480 29.098 29.700 -0.205 0.000 0.752 153 E HN 0.833 nan 8.360 nan 0.000 0.449 154 H N -0.955 118.166 119.070 0.084 0.000 2.389 154 H HA 0.003 4.556 4.556 -0.005 0.000 0.299 154 H C 2.167 177.582 175.328 0.145 0.000 1.081 154 H CA 1.018 57.172 56.048 0.176 0.000 1.345 154 H CB 0.082 29.930 29.762 0.144 0.000 1.393 154 H HN 0.048 nan 8.280 nan 0.000 0.520 155 S N 0.425 116.224 115.700 0.164 0.000 2.368 155 S HA -0.204 4.264 4.470 -0.003 0.000 0.225 155 S C 2.419 177.082 174.600 0.106 0.000 1.030 155 S CA 0.938 59.198 58.200 0.100 0.000 0.999 155 S CB -0.378 62.853 63.200 0.052 0.000 0.844 155 S HN 0.502 nan 8.310 nan 0.000 0.459 156 A N 1.636 124.503 122.820 0.079 0.000 1.883 156 A HA -0.034 4.285 4.320 -0.003 0.000 0.217 156 A C 2.248 179.848 177.584 0.028 0.000 1.186 156 A CA 1.724 53.807 52.037 0.076 0.000 0.624 156 A CB -0.990 18.067 19.000 0.095 0.000 0.822 156 A HN 0.585 nan 8.150 nan 0.000 0.444 157 L N -0.843 120.360 121.223 -0.034 0.000 2.012 157 L HA -0.235 4.103 4.340 -0.003 0.000 0.210 157 L C 3.128 179.825 176.870 -0.289 0.000 1.073 157 L CA 1.209 55.908 54.840 -0.236 0.000 0.748 157 L CB -0.645 41.150 42.059 -0.440 0.000 0.891 157 L HN 0.454 nan 8.230 nan 0.000 0.431 158 A N -0.531 122.204 122.820 -0.142 0.000 1.940 158 A HA -0.265 4.053 4.320 -0.003 0.000 0.219 158 A C 2.222 179.941 177.584 0.225 0.000 1.176 158 A CA 1.746 53.812 52.037 0.048 0.000 0.631 158 A CB -0.456 18.584 19.000 0.066 0.000 0.814 158 A HN 0.516 nan 8.150 nan 0.000 0.446 159 Q N -1.219 118.713 119.800 0.220 0.000 2.083 159 Q HA -0.141 4.197 4.340 -0.003 0.000 0.198 159 Q C 2.282 178.369 176.000 0.145 0.000 0.969 159 Q CA 1.603 57.541 55.803 0.226 0.000 0.838 159 Q CB -0.360 28.491 28.738 0.189 0.000 0.900 159 Q HN 0.751 nan 8.270 nan 0.000 0.436 160 C N 0.565 119.921 119.300 0.092 0.000 2.435 160 C HA -0.053 4.405 4.460 -0.003 0.000 0.279 160 C C 2.385 177.482 174.990 0.179 0.000 1.321 160 C CA 0.359 59.441 59.018 0.107 0.000 1.752 160 C CB -0.872 26.895 27.740 0.046 0.000 1.959 160 C HN 0.466 nan 8.230 nan 0.000 0.500 161 L N 0.451 121.728 121.223 0.091 0.000 2.450 161 L HA -0.109 4.230 4.340 -0.003 0.000 0.224 161 L C 2.601 179.598 176.870 0.212 0.000 1.149 161 L CA 1.040 55.962 54.840 0.137 0.000 0.816 161 L CB -0.522 41.528 42.059 -0.015 0.000 0.932 161 L HN 0.367 nan 8.230 nan 0.000 0.449 162 R N -0.176 120.428 120.500 0.173 0.000 2.237 162 R HA -0.070 4.268 4.340 -0.003 0.000 0.219 162 R C 2.171 178.503 176.300 0.054 0.000 1.080 162 R CA 0.869 57.038 56.100 0.115 0.000 0.995 162 R CB -0.419 29.934 30.300 0.089 0.000 0.875 162 R HN 0.378 nan 8.270 nan 0.000 0.462 163 G N 0.019 108.862 108.800 0.072 0.000 2.776 163 G HA2 0.109 4.067 3.960 -0.003 0.000 0.209 163 G HA3 0.109 4.067 3.960 -0.003 0.000 0.209 163 G C 0.372 174.935 174.900 -0.562 0.000 1.145 163 G CA 0.607 45.587 45.100 -0.200 0.000 0.791 163 G HN 0.437 nan 8.290 nan 0.000 0.530 164 G N -1.321 107.330 108.800 -0.248 0.000 2.550 164 G HA2 0.498 4.456 3.960 -0.003 0.000 0.293 164 G HA3 0.498 4.456 3.960 -0.003 0.000 0.293 164 G C -0.410 174.541 174.900 0.086 0.000 1.402 164 G CA 0.108 45.095 45.100 -0.189 0.000 0.784 164 G HN 0.513 nan 8.290 nan 0.000 0.482 165 T N -1.262 113.341 114.554 0.081 0.000 2.828 165 T HA 0.471 4.820 4.350 -0.003 0.000 0.290 165 T C -1.393 173.391 174.700 0.139 0.000 1.019 165 T CA -0.925 61.231 62.100 0.093 0.000 1.031 165 T CB 1.683 70.585 68.868 0.056 0.000 1.001 165 T HN 0.118 nan 8.240 nan 0.000 0.531 166 P HA -0.063 nan 4.420 nan 0.000 0.217 166 P C 0.848 178.188 177.300 0.065 0.000 1.148 166 P CA 0.975 64.122 63.100 0.079 0.000 0.828 166 P CB -0.033 31.701 31.700 0.057 0.000 0.783 167 D N -0.879 119.560 120.400 0.064 0.000 2.312 167 D HA -0.095 4.544 4.640 -0.003 0.000 0.211 167 D C 1.455 177.799 176.300 0.073 0.000 0.964 167 D CA 0.830 54.861 54.000 0.052 0.000 0.877 167 D CB -0.362 40.463 40.800 0.042 0.000 0.924 167 D HN 0.353 nan 8.370 nan 0.000 0.515 168 E N -0.137 120.140 120.200 0.128 0.000 2.489 168 E HA 0.056 4.405 4.350 -0.003 0.000 0.193 168 E C -0.031 176.716 176.600 0.244 0.000 1.057 168 E CA -0.089 56.435 56.400 0.207 0.000 0.866 168 E CB 0.878 30.729 29.700 0.251 0.000 0.916 168 E HN -0.004 nan 8.360 nan 0.000 0.500 169 V N 1.451 121.409 119.914 0.073 0.000 2.470 169 V HA 0.087 4.206 4.120 -0.003 0.000 0.276 169 V C 0.896 176.918 176.094 -0.119 0.000 1.040 169 V CA 0.289 62.489 62.300 -0.167 0.000 1.008 169 V CB 1.092 32.799 31.823 -0.194 0.000 0.990 169 V HN 0.201 nan 8.190 nan 0.000 0.477 170 A N 5.460 128.180 122.820 -0.166 0.000 1.887 170 A HA 0.304 4.623 4.320 -0.003 0.000 0.210 170 A C 0.881 178.395 177.584 -0.116 0.000 1.221 170 A CA 0.619 52.597 52.037 -0.099 0.000 0.635 170 A CB 0.260 19.221 19.000 -0.064 0.000 0.881 170 A HN 0.679 nan 8.150 nan 0.000 0.456 171 K N -0.431 119.866 120.400 -0.172 0.000 2.502 171 K HA 0.629 4.947 4.320 -0.003 0.000 0.257 171 K C -1.715 174.771 176.600 -0.189 0.000 0.938 171 K CA -0.387 55.816 56.287 -0.141 0.000 0.819 171 K CB 2.226 34.663 32.500 -0.106 0.000 1.333 171 K HN 0.202 nan 8.250 nan 0.000 0.434 172 L N 2.655 123.794 121.223 -0.141 0.000 2.282 172 L HA 0.516 4.855 4.340 -0.003 0.000 0.288 172 L C -0.641 176.176 176.870 -0.088 0.000 1.033 172 L CA -1.211 53.544 54.840 -0.141 0.000 0.807 172 L CB 1.534 43.520 42.059 -0.122 0.000 1.209 172 L HN 0.253 nan 8.230 nan 0.000 0.423 173 V N 4.758 124.616 119.914 -0.094 0.000 2.326 173 V HA 0.311 4.430 4.120 -0.003 0.000 0.281 173 V C 0.029 176.100 176.094 -0.039 0.000 1.015 173 V CA -0.518 61.744 62.300 -0.064 0.000 0.823 173 V CB 1.512 33.279 31.823 -0.094 0.000 1.009 173 V HN 0.458 nan 8.190 nan 0.000 0.436 174 L N 4.960 126.180 121.223 -0.005 0.000 2.349 174 L HA 0.494 4.832 4.340 -0.003 0.000 0.275 174 L C 1.034 177.921 176.870 0.028 0.000 1.115 174 L CA 0.572 55.419 54.840 0.012 0.000 0.820 174 L CB 1.470 43.545 42.059 0.027 0.000 1.135 174 L HN 0.837 nan 8.230 nan 0.000 0.445 175 T N 0.259 114.838 114.554 0.041 0.000 2.922 175 T HA 0.842 5.191 4.350 -0.003 0.000 0.285 175 T C -0.237 174.496 174.700 0.055 0.000 1.005 175 T CA -0.711 61.440 62.100 0.086 0.000 1.061 175 T CB 1.662 70.610 68.868 0.133 0.000 1.007 175 T HN 0.747 nan 8.240 nan 0.000 0.502 176 A N 1.186 124.038 122.820 0.054 0.000 2.422 176 A HA 0.628 4.946 4.320 -0.003 0.000 0.302 176 A C 1.110 178.675 177.584 -0.031 0.000 1.041 176 A CA -0.322 51.714 52.037 -0.002 0.000 0.708 176 A CB 1.380 20.367 19.000 -0.022 0.000 1.257 176 A HN 1.192 nan 8.150 nan 0.000 0.414 177 S N 1.621 117.276 115.700 -0.075 0.000 2.419 177 S HA 0.160 4.629 4.470 -0.003 0.000 0.235 177 S C 1.632 176.150 174.600 -0.138 0.000 1.019 177 S CA 1.815 59.942 58.200 -0.123 0.000 0.982 177 S CB -0.319 62.803 63.200 -0.131 0.000 0.789 177 S HN 2.775 nan 8.310 nan 0.000 0.490 178 G N 0.595 109.302 108.800 -0.154 0.000 2.225 178 G HA2 0.142 4.100 3.960 -0.003 0.000 0.254 178 G HA3 0.142 4.100 3.960 -0.003 0.000 0.254 178 G C 1.306 176.030 174.900 -0.294 0.000 0.988 178 G CA 0.421 45.384 45.100 -0.229 0.000 0.625 178 G HN 1.927 nan 8.290 nan 0.000 0.527 179 G N 0.073 108.723 108.800 -0.251 0.000 2.752 179 G HA2 0.084 4.042 3.960 -0.003 0.000 0.234 179 G HA3 0.084 4.042 3.960 -0.003 0.000 0.234 179 G C -0.574 174.073 174.900 -0.422 0.000 1.367 179 G CA 0.515 45.425 45.100 -0.315 0.000 0.879 179 G HN 0.944 nan 8.290 nan 0.000 0.563 180 P HA 0.040 nan 4.420 nan 0.000 0.222 180 P C 1.025 177.751 177.300 -0.957 0.000 1.147 180 P CA 1.462 64.065 63.100 -0.829 0.000 0.790 180 P CB -0.083 30.917 31.700 -1.167 0.000 0.780 181 F N -0.590 118.985 119.950 -0.625 0.000 2.684 181 F HA 0.293 4.817 4.527 -0.006 0.000 0.298 181 F C 1.282 176.891 175.800 -0.319 0.000 1.120 181 F CA -1.106 56.256 58.000 -1.063 0.000 1.332 181 F CB 0.019 38.465 39.000 -0.923 0.000 0.986 181 F HN -0.280 nan 8.300 nan 0.000 0.524 182 R N 1.348 121.789 120.500 -0.099 0.000 2.502 182 R HA 0.208 4.546 4.340 -0.003 0.000 0.292 182 R C 1.270 177.744 176.300 0.290 0.000 0.998 182 R CA 1.265 57.382 56.100 0.028 0.000 1.056 182 R CB 0.127 30.399 30.300 -0.047 0.000 0.939 182 R HN 0.583 nan 8.270 nan 0.000 0.411 183 G N 3.557 112.559 108.800 0.337 0.000 2.179 183 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.260 183 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.260 183 G C -0.537 174.646 174.900 0.472 0.000 0.977 183 G CA 0.178 45.493 45.100 0.358 0.000 0.641 183 G HN 0.608 nan 8.290 nan 0.000 0.533 184 W N 2.384 123.841 121.300 0.262 0.000 2.218 184 W HA 0.594 5.250 4.660 -0.006 0.000 0.326 184 W C 1.295 177.882 176.519 0.113 0.000 1.276 184 W CA -0.290 57.166 57.345 0.185 0.000 1.210 184 W CB 0.673 30.259 29.460 0.210 0.000 1.143 184 W HN 0.510 nan 8.180 nan 0.000 0.563 185 S N 1.408 117.222 115.700 0.191 0.000 2.608 185 S HA 0.455 4.923 4.470 -0.003 0.000 0.261 185 S C 1.177 175.799 174.600 0.037 0.000 1.314 185 S CA -0.187 58.061 58.200 0.080 0.000 0.992 185 S CB 1.143 64.353 63.200 0.017 0.000 0.935 185 S HN 0.642 nan 8.310 nan 0.000 0.564 186 A N 1.637 124.439 122.820 -0.031 0.000 1.908 186 A HA 0.047 4.365 4.320 -0.003 0.000 0.218 186 A C 2.426 179.966 177.584 -0.073 0.000 1.181 186 A CA 2.074 54.066 52.037 -0.075 0.000 0.627 186 A CB -1.770 17.182 19.000 -0.081 0.000 0.818 186 A HN 1.367 nan 8.150 nan 0.000 0.445 187 A N 0.013 122.794 122.820 -0.064 0.000 1.883 187 A HA -0.223 4.096 4.320 -0.003 0.000 0.217 187 A C 1.788 179.293 177.584 -0.132 0.000 1.186 187 A CA 1.942 53.921 52.037 -0.097 0.000 0.624 187 A CB -0.691 18.280 19.000 -0.049 0.000 0.822 187 A HN 0.483 nan 8.150 nan 0.000 0.444 188 D N 0.127 120.497 120.400 -0.050 0.000 2.133 188 D HA -0.156 4.483 4.640 -0.003 0.000 0.195 188 D C 1.845 178.193 176.300 0.081 0.000 0.997 188 D CA 1.178 55.168 54.000 -0.017 0.000 0.840 188 D CB -0.370 40.376 40.800 -0.091 0.000 0.947 188 D HN 0.461 nan 8.370 nan 0.000 0.452 189 L N 0.939 122.195 121.223 0.054 0.000 2.291 189 L HA -0.096 4.243 4.340 -0.003 0.000 0.214 189 L C 2.257 179.074 176.870 -0.089 0.000 1.120 189 L CA 0.646 55.468 54.840 -0.030 0.000 0.799 189 L CB -0.226 41.835 42.059 0.003 0.000 0.925 189 L HN -0.034 nan 8.230 nan 0.000 0.446 190 E N -0.279 119.809 120.200 -0.187 0.000 2.118 190 E HA -0.203 4.146 4.350 -0.003 0.000 0.195 190 E C 1.730 178.210 176.600 -0.199 0.000 0.992 190 E CA 1.148 57.401 56.400 -0.246 0.000 0.804 190 E CB -0.204 29.242 29.700 -0.423 0.000 0.741 190 E HN 0.616 nan 8.360 nan 0.000 0.458 191 H N -0.290 118.791 119.070 0.019 0.000 2.539 191 H HA 0.126 4.683 4.556 0.002 0.000 0.267 191 H C 0.363 175.711 175.328 0.033 0.000 0.982 191 H CA -0.089 55.978 56.048 0.030 0.000 1.146 191 H CB -0.014 29.757 29.762 0.016 0.000 1.382 191 H HN -0.116 nan 8.280 nan 0.000 0.577 192 V N 3.477 123.402 119.914 0.017 0.000 2.540 192 V HA -0.018 4.100 4.120 -0.003 0.000 0.297 192 V C 1.104 177.306 176.094 0.180 0.000 1.024 192 V CA 0.269 62.486 62.300 -0.138 0.000 1.105 192 V CB 0.775 32.087 31.823 -0.852 0.000 0.938 192 V HN 0.438 nan 8.190 nan 0.000 0.482 193 T N 3.544 118.213 114.554 0.193 0.000 2.934 193 T HA 0.420 4.768 4.350 -0.003 0.000 0.283 193 T C -1.762 173.099 174.700 0.270 0.000 1.005 193 T CA -2.084 60.141 62.100 0.208 0.000 1.041 193 T CB 1.888 70.814 68.868 0.096 0.000 1.042 193 T HN 0.366 nan 8.240 nan 0.000 0.505 194 P HA -0.125 nan 4.420 nan 0.000 0.216 194 P C 1.235 178.549 177.300 0.024 0.000 1.157 194 P CA 1.244 64.304 63.100 -0.068 0.000 0.880 194 P CB 0.041 31.559 31.700 -0.303 0.000 0.791 195 E N -0.378 119.802 120.200 -0.034 0.000 2.097 195 E HA -0.222 4.126 4.350 -0.003 0.000 0.196 195 E C 2.154 178.721 176.600 -0.054 0.000 1.000 195 E CA 1.349 57.690 56.400 -0.098 0.000 0.804 195 E CB -0.907 28.762 29.700 -0.052 0.000 0.740 195 E HN 0.415 nan 8.360 nan 0.000 0.454 196 Q N -0.323 119.527 119.800 0.084 0.000 2.167 196 Q HA 0.035 4.373 4.340 -0.003 0.000 0.202 196 Q C 1.143 177.249 176.000 0.176 0.000 0.970 196 Q CA 1.043 56.948 55.803 0.169 0.000 0.855 196 Q CB -0.025 28.873 28.738 0.267 0.000 0.911 196 Q HN 0.237 nan 8.270 nan 0.000 0.438 197 A N 0.544 123.504 122.820 0.233 0.000 2.426 197 A HA 0.347 4.665 4.320 -0.003 0.000 0.247 197 A C 1.148 178.751 177.584 0.032 0.000 1.389 197 A CA 0.472 52.614 52.037 0.174 0.000 1.129 197 A CB -1.135 18.117 19.000 0.421 0.000 0.928 197 A HN 0.421 nan 8.150 nan 0.000 0.557 198 G N -1.329 107.446 108.800 -0.041 0.000 2.233 198 G HA2 -0.031 3.928 3.960 -0.003 0.000 0.270 198 G HA3 -0.031 3.928 3.960 -0.003 0.000 0.270 198 G C 0.444 175.302 174.900 -0.071 0.000 1.011 198 G CA 0.474 45.565 45.100 -0.016 0.000 0.762 198 G HN 1.798 nan 8.290 nan 0.000 0.511 199 A N 0.373 123.076 122.820 -0.196 0.000 2.376 199 A HA 0.675 4.993 4.320 -0.003 0.000 0.298 199 A C 0.195 177.519 177.584 -0.433 0.000 1.271 199 A CA 0.009 51.934 52.037 -0.187 0.000 0.926 199 A CB 0.150 19.098 19.000 -0.087 0.000 1.141 199 A HN 0.669 nan 8.150 nan 0.000 0.539 200 H N 1.763 120.853 119.070 0.032 0.000 2.865 200 H HA 0.483 5.038 4.556 -0.002 0.000 0.372 200 H C -2.300 173.051 175.328 0.039 0.000 1.173 200 H CA -1.903 54.166 56.048 0.035 0.000 1.147 200 H CB 1.108 30.892 29.762 0.037 0.000 1.805 200 H HN 0.371 nan 8.280 nan 0.000 0.553 201 P HA 0.043 nan 4.420 nan 0.000 0.238 201 P C -0.559 176.831 177.300 0.151 0.000 1.714 201 P CA -0.199 62.976 63.100 0.125 0.000 0.908 201 P CB -0.799 30.962 31.700 0.103 0.000 1.893 202 T N 1.346 115.993 114.554 0.156 0.000 2.928 202 T HA -0.040 4.309 4.350 -0.003 0.000 0.305 202 T C 1.179 175.964 174.700 0.141 0.000 1.035 202 T CA -0.328 61.866 62.100 0.157 0.000 1.145 202 T CB 0.480 69.410 68.868 0.102 0.000 0.963 202 T HN 0.430 nan 8.240 nan 0.000 0.545 203 W N 3.069 124.383 121.300 0.023 0.000 2.467 203 W HA -0.030 4.629 4.660 -0.001 0.000 0.275 203 W C 1.065 177.586 176.519 0.003 0.000 1.239 203 W CA 0.978 58.335 57.345 0.021 0.000 1.266 203 W CB -0.929 28.538 29.460 0.013 0.000 1.112 203 W HN 0.687 nan 8.180 nan 0.000 0.576 204 S N -0.480 114.565 115.700 -1.092 0.000 2.593 204 S HA 0.398 4.866 4.470 -0.003 0.000 0.236 204 S C 0.054 174.347 174.600 -0.512 0.000 0.991 204 S CA -0.433 57.058 58.200 -1.181 0.000 0.963 204 S CB -0.301 62.053 63.200 -1.409 0.000 0.865 204 S HN 0.165 nan 8.310 nan 0.000 0.488 205 M N 1.622 121.043 119.600 -0.298 0.000 2.324 205 M HA 0.576 5.055 4.480 -0.003 0.000 0.288 205 M C -0.251 175.999 176.300 -0.082 0.000 1.097 205 M CA -0.178 55.028 55.300 -0.157 0.000 0.928 205 M CB 2.081 34.620 32.600 -0.102 0.000 1.648 205 M HN 0.244 nan 8.290 nan 0.000 0.460 206 G N 4.120 112.883 108.800 -0.062 0.000 2.398 206 G HA2 0.342 4.301 3.960 -0.003 0.000 0.246 206 G HA3 0.342 4.301 3.960 -0.003 0.000 0.246 206 G C -1.889 173.009 174.900 -0.004 0.000 1.289 206 G CA -1.027 44.059 45.100 -0.024 0.000 0.869 206 G HN 0.617 nan 8.290 nan 0.000 0.543 207 P HA -0.132 nan 4.420 nan 0.000 0.222 207 P C 1.803 179.126 177.300 0.039 0.000 1.147 207 P CA 0.906 64.022 63.100 0.027 0.000 0.790 207 P CB 0.201 31.917 31.700 0.025 0.000 0.780 208 M N -0.453 119.165 119.600 0.031 0.000 2.200 208 M HA -0.072 4.407 4.480 -0.003 0.000 0.265 208 M C 1.762 178.080 176.300 0.031 0.000 1.066 208 M CA 1.364 56.687 55.300 0.038 0.000 1.127 208 M CB -1.667 30.947 32.600 0.023 0.000 1.379 208 M HN 0.025 nan 8.290 nan 0.000 0.420 209 N N -0.132 118.576 118.700 0.012 0.000 2.120 209 N HA -0.124 4.614 4.740 -0.003 0.000 0.188 209 N C 1.520 177.032 175.510 0.003 0.000 1.024 209 N CA 1.973 55.024 53.050 0.001 0.000 0.852 209 N CB -0.079 38.397 38.487 -0.018 0.000 1.003 209 N HN 0.321 nan 8.380 nan 0.000 0.424 210 T N 1.105 115.664 114.554 0.008 0.000 2.777 210 T HA -0.095 4.254 4.350 -0.003 0.000 0.266 210 T C 1.817 176.531 174.700 0.025 0.000 1.040 210 T CA 0.574 62.675 62.100 0.002 0.000 1.141 210 T CB -0.297 68.578 68.868 0.012 0.000 0.868 210 T HN 0.095 nan 8.240 nan 0.000 0.444 211 L N 2.166 123.435 121.223 0.077 0.000 2.017 211 L HA -0.022 4.317 4.340 -0.003 0.000 0.208 211 L C 1.838 178.780 176.870 0.120 0.000 1.073 211 L CA 1.739 56.672 54.840 0.154 0.000 0.745 211 L CB -1.048 41.129 42.059 0.197 0.000 0.894 211 L HN 0.066 nan 8.230 nan 0.000 0.432 212 N N -0.862 117.876 118.700 0.064 0.000 2.223 212 N HA -0.165 4.573 4.740 -0.003 0.000 0.185 212 N C 2.084 177.615 175.510 0.036 0.000 1.016 212 N CA 1.308 54.382 53.050 0.040 0.000 0.863 212 N CB -0.403 38.100 38.487 0.027 0.000 0.983 212 N HN 0.490 nan 8.380 nan 0.000 0.429 213 S N 0.200 115.908 115.700 0.013 0.000 2.355 213 S HA 0.015 4.483 4.470 -0.003 0.000 0.222 213 S C 1.968 176.547 174.600 -0.035 0.000 1.031 213 S CA 1.157 59.342 58.200 -0.025 0.000 0.993 213 S CB -0.274 62.892 63.200 -0.056 0.000 0.859 213 S HN 0.355 nan 8.310 nan 0.000 0.453 214 A N 1.139 123.955 122.820 -0.007 0.000 1.933 214 A HA -0.048 4.271 4.320 -0.003 0.000 0.218 214 A C 2.381 180.180 177.584 0.359 0.000 1.175 214 A CA 2.147 54.200 52.037 0.026 0.000 0.628 214 A CB -0.995 18.008 19.000 0.005 0.000 0.814 214 A HN 0.828 nan 8.150 nan 0.000 0.444 215 S N -1.684 114.207 115.700 0.318 0.000 2.528 215 S HA 0.215 4.684 4.470 -0.003 0.000 0.219 215 S C 0.899 175.616 174.600 0.194 0.000 0.985 215 S CA 0.571 58.913 58.200 0.238 0.000 0.914 215 S CB -0.022 63.131 63.200 -0.078 0.000 0.776 215 S HN 0.644 nan 8.310 nan 0.000 0.526 216 L N -0.179 121.108 121.223 0.107 0.000 4.759 216 L HA -0.181 4.158 4.340 -0.003 0.000 0.419 216 L C 1.354 178.280 176.870 0.094 0.000 1.093 216 L CA 0.647 55.524 54.840 0.062 0.000 1.037 216 L CB -2.451 39.646 42.059 0.064 0.000 2.095 216 L HN 0.387 nan 8.230 nan 0.000 0.739 217 V N -0.468 119.497 119.914 0.085 0.000 2.453 217 V HA -0.204 3.914 4.120 -0.003 0.000 0.247 217 V C 2.195 178.368 176.094 0.132 0.000 1.048 217 V CA 2.269 64.639 62.300 0.117 0.000 1.049 217 V CB -0.381 31.447 31.823 0.010 0.000 0.672 217 V HN 0.567 nan 8.190 nan 0.000 0.457 218 N N 0.693 119.439 118.700 0.076 0.000 2.094 218 N HA -0.242 4.496 4.740 -0.003 0.000 0.191 218 N C 1.738 177.289 175.510 0.068 0.000 1.023 218 N CA 1.667 54.754 53.050 0.062 0.000 0.857 218 N CB -0.174 38.327 38.487 0.023 0.000 1.013 218 N HN 0.227 nan 8.380 nan 0.000 0.426 219 K N -0.140 120.295 120.400 0.059 0.000 2.057 219 K HA 0.104 4.423 4.320 -0.003 0.000 0.206 219 K C 1.899 178.550 176.600 0.086 0.000 1.050 219 K CA 1.374 57.694 56.287 0.054 0.000 0.935 219 K CB -1.050 31.470 32.500 0.033 0.000 0.715 219 K HN 0.286 nan 8.250 nan 0.000 0.439 220 G N 0.767 109.637 108.800 0.118 0.000 2.446 220 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.217 220 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.217 220 G C 1.511 176.455 174.900 0.074 0.000 1.168 220 G CA 1.083 46.244 45.100 0.102 0.000 0.771 220 G HN 0.294 nan 8.290 nan 0.000 0.551 221 L N -0.205 121.114 121.223 0.160 0.000 2.046 221 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 221 L C 3.139 180.096 176.870 0.146 0.000 1.077 221 L CA 1.305 56.234 54.840 0.148 0.000 0.747 221 L CB -0.464 41.695 42.059 0.166 0.000 0.896 221 L HN 0.282 nan 8.230 nan 0.000 0.432 222 Q N -0.740 119.150 119.800 0.150 0.000 2.167 222 Q HA -0.152 4.187 4.340 -0.003 0.000 0.202 222 Q C 2.380 178.550 176.000 0.285 0.000 0.970 222 Q CA 1.176 57.114 55.803 0.225 0.000 0.855 222 Q CB -0.086 28.683 28.738 0.052 0.000 0.911 222 Q HN 0.348 nan 8.270 nan 0.000 0.438 223 V N 0.970 120.994 119.914 0.183 0.000 2.295 223 V HA -0.272 3.846 4.120 -0.003 0.000 0.246 223 V C 2.094 178.329 176.094 0.235 0.000 1.049 223 V CA 1.622 64.036 62.300 0.190 0.000 1.024 223 V CB -0.407 31.511 31.823 0.159 0.000 0.648 223 V HN 0.345 nan 8.190 nan 0.000 0.447 224 I N -0.096 120.609 120.570 0.224 0.000 2.163 224 I HA -0.280 3.889 4.170 -0.003 0.000 0.243 224 I C 2.533 178.734 176.117 0.141 0.000 1.085 224 I CA 1.842 63.292 61.300 0.251 0.000 1.347 224 I CB -0.457 37.606 38.000 0.106 0.000 1.044 224 I HN 0.382 nan 8.210 nan 0.000 0.408 225 E N 0.173 120.419 120.200 0.077 0.000 2.077 225 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 225 E C 2.145 178.604 176.600 -0.235 0.000 0.989 225 E CA 1.817 58.158 56.400 -0.098 0.000 0.800 225 E CB -0.221 29.400 29.700 -0.133 0.000 0.746 225 E HN 0.471 nan 8.360 nan 0.000 0.452 226 T N 0.109 114.644 114.554 -0.031 0.000 2.652 226 T HA -0.247 4.101 4.350 -0.003 0.000 0.267 226 T C 1.739 176.452 174.700 0.022 0.000 1.039 226 T CA 1.902 64.064 62.100 0.103 0.000 1.153 226 T CB -0.481 68.551 68.868 0.273 0.000 0.863 226 T HN 0.347 nan 8.240 nan 0.000 0.428 227 H N 1.031 120.000 119.070 -0.167 0.000 2.319 227 H HA -0.015 4.543 4.556 0.002 0.000 0.297 227 H C 1.994 177.180 175.328 -0.236 0.000 1.097 227 H CA 1.559 57.404 56.048 -0.338 0.000 1.285 227 H CB -0.520 28.753 29.762 -0.816 0.000 1.368 227 H HN 0.280 nan 8.280 nan 0.000 0.495 228 L N -0.545 120.525 121.223 -0.255 0.000 2.109 228 L HA -0.093 4.246 4.340 -0.003 0.000 0.207 228 L C 2.576 179.219 176.870 -0.379 0.000 1.086 228 L CA 0.756 55.422 54.840 -0.291 0.000 0.760 228 L CB -0.301 41.674 42.059 -0.139 0.000 0.910 228 L HN 0.291 nan 8.230 nan 0.000 0.437 229 L N -1.315 119.598 121.223 -0.517 0.000 2.056 229 L HA -0.152 4.187 4.340 -0.003 0.000 0.207 229 L C 1.806 178.181 176.870 -0.824 0.000 1.078 229 L CA 1.540 55.879 54.840 -0.835 0.000 0.749 229 L CB -0.159 41.057 42.059 -1.405 0.000 0.901 229 L HN 0.185 nan 8.230 nan 0.000 0.433 230 F N -1.438 118.385 119.950 -0.212 0.000 2.706 230 F HA 0.333 4.857 4.527 -0.005 0.000 0.308 230 F C 1.530 177.216 175.800 -0.189 0.000 1.095 230 F CA 0.176 58.074 58.000 -0.170 0.000 1.244 230 F CB 0.271 39.193 39.000 -0.130 0.000 1.063 230 F HN 0.037 nan 8.300 nan 0.000 0.582 231 G N 2.231 110.924 108.800 -0.179 0.000 2.295 231 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.287 231 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.287 231 G C -0.182 174.626 174.900 -0.153 0.000 1.055 231 G CA -0.154 44.798 45.100 -0.247 0.000 0.922 231 G HN 0.180 nan 8.290 nan 0.000 0.503 232 I N 0.314 120.806 120.570 -0.130 0.000 2.412 232 I HA 0.357 4.525 4.170 -0.003 0.000 0.296 232 I C -1.891 174.231 176.117 0.007 0.000 0.987 232 I CA -3.016 58.255 61.300 -0.050 0.000 1.180 232 I CB 1.467 39.446 38.000 -0.035 0.000 1.340 232 I HN -0.132 nan 8.210 nan 0.000 0.455 233 P HA 0.101 nan 4.420 nan 0.000 0.269 233 P C 0.439 177.733 177.300 -0.009 0.000 1.215 233 P CA 0.086 63.225 63.100 0.065 0.000 0.780 233 P CB 0.455 32.192 31.700 0.061 0.000 0.898 234 Y N 1.182 121.486 120.300 0.008 0.000 2.193 234 Y HA -0.272 4.285 4.550 0.010 0.000 0.285 234 Y C 2.125 178.015 175.900 -0.017 0.000 1.166 234 Y CA 1.932 60.005 58.100 -0.045 0.000 1.181 234 Y CB -0.687 37.688 38.460 -0.142 0.000 0.976 234 Y HN 0.434 nan 8.280 nan 0.000 0.520 235 D N -0.160 120.315 120.400 0.124 0.000 2.371 235 D HA -0.125 4.513 4.640 -0.003 0.000 0.221 235 D C 1.176 177.499 176.300 0.039 0.000 0.986 235 D CA 0.843 54.885 54.000 0.070 0.000 0.899 235 D CB -0.375 40.456 40.800 0.051 0.000 0.902 235 D HN 0.293 nan 8.370 nan 0.000 0.530 236 R N -0.190 120.326 120.500 0.027 0.000 2.468 236 R HA 0.363 4.702 4.340 -0.003 0.000 0.280 236 R C 0.007 176.299 176.300 -0.012 0.000 0.963 236 R CA -0.227 55.871 56.100 -0.003 0.000 1.083 236 R CB 0.791 31.081 30.300 -0.018 0.000 1.200 236 R HN 0.217 nan 8.270 nan 0.000 0.541 237 I N 1.619 122.198 120.570 0.015 0.000 2.354 237 I HA 0.226 4.394 4.170 -0.003 0.000 0.286 237 I C -0.647 175.492 176.117 0.037 0.000 1.007 237 I CA -0.628 60.684 61.300 0.020 0.000 1.167 237 I CB 1.399 39.423 38.000 0.039 0.000 1.320 237 I HN -0.181 nan 8.210 nan 0.000 0.458 238 D N 5.334 125.742 120.400 0.014 0.000 2.326 238 D HA 0.589 5.227 4.640 -0.003 0.000 0.248 238 D C -0.549 175.765 176.300 0.023 0.000 1.001 238 D CA -0.337 53.673 54.000 0.017 0.000 0.961 238 D CB 2.906 43.703 40.800 -0.005 0.000 1.183 238 D HN 0.039 nan 8.370 nan 0.000 0.502 239 V N 1.023 120.956 119.914 0.032 0.000 2.588 239 V HA 0.451 4.569 4.120 -0.003 0.000 0.304 239 V C -0.330 175.790 176.094 0.044 0.000 1.042 239 V CA -0.822 61.501 62.300 0.038 0.000 0.877 239 V CB 2.147 33.996 31.823 0.044 0.000 0.996 239 V HN 0.288 nan 8.190 nan 0.000 0.425 240 V N 5.658 125.607 119.914 0.060 0.000 2.680 240 V HA 0.629 4.747 4.120 -0.003 0.000 0.309 240 V C -0.470 175.708 176.094 0.139 0.000 1.052 240 V CA -0.413 61.948 62.300 0.102 0.000 0.908 240 V CB 2.485 34.370 31.823 0.104 0.000 1.001 240 V HN 0.639 nan 8.190 nan 0.000 0.431 241 V N 5.785 125.783 119.914 0.139 0.000 2.498 241 V HA 0.393 4.512 4.120 -0.003 0.000 0.279 241 V C -0.466 175.736 176.094 0.181 0.000 1.048 241 V CA -0.227 62.136 62.300 0.105 0.000 0.967 241 V CB 1.088 32.931 31.823 0.035 0.000 0.988 241 V HN 1.000 nan 8.190 nan 0.000 0.473 242 H N 6.881 125.940 119.070 -0.018 0.000 2.974 242 H HA 0.418 4.971 4.556 -0.004 0.000 0.285 242 H C -2.480 172.755 175.328 -0.156 0.000 1.227 242 H CA -1.810 54.154 56.048 -0.141 0.000 1.569 242 H CB 2.098 31.782 29.762 -0.129 0.000 1.648 242 H HN 0.304 nan 8.280 nan 0.000 0.521 243 P HA -0.140 nan 4.420 nan 0.000 0.219 243 P C 0.995 178.041 177.300 -0.423 0.000 1.146 243 P CA 1.052 63.970 63.100 -0.303 0.000 0.808 243 P CB 0.495 32.089 31.700 -0.175 0.000 0.779 244 Q N -1.060 118.318 119.800 -0.703 0.000 2.297 244 Q HA 0.054 4.392 4.340 -0.003 0.000 0.204 244 Q C 0.896 176.593 176.000 -0.505 0.000 0.962 244 Q CA 0.638 56.122 55.803 -0.531 0.000 0.879 244 Q CB -0.833 27.685 28.738 -0.367 0.000 0.947 244 Q HN 0.005 nan 8.270 nan 0.000 0.462 245 S N -0.803 114.484 115.700 -0.689 0.000 3.581 245 S HA -0.207 4.261 4.470 -0.003 0.000 0.354 245 S C 0.680 175.075 174.600 -0.340 0.000 1.059 245 S CA 0.625 58.636 58.200 -0.316 0.000 1.060 245 S CB -1.668 61.444 63.200 -0.147 0.000 0.908 245 S HN 0.407 nan 8.310 nan 0.000 0.475 246 I N -0.139 120.223 120.570 -0.347 0.000 2.729 246 I HA 0.169 4.337 4.170 -0.003 0.000 0.256 246 I C 0.994 176.605 176.117 -0.843 0.000 1.115 246 I CA 0.479 61.456 61.300 -0.537 0.000 1.446 246 I CB 0.132 37.786 38.000 -0.576 0.000 1.176 246 I HN 0.342 nan 8.210 nan 0.000 0.446 247 I N 2.379 122.535 120.570 -0.690 0.000 2.436 247 I HA -0.031 4.137 4.170 -0.003 0.000 0.289 247 I C 1.006 176.862 176.117 -0.434 0.000 1.083 247 I CA 0.299 61.240 61.300 -0.598 0.000 1.372 247 I CB 0.484 38.165 38.000 -0.531 0.000 1.408 247 I HN 0.335 nan 8.210 nan 0.000 0.516 248 H N 3.772 122.798 119.070 -0.074 0.000 2.563 248 H HA 0.285 4.839 4.556 -0.004 0.000 0.264 248 H C 0.317 175.626 175.328 -0.031 0.000 0.957 248 H CA 0.131 56.158 56.048 -0.036 0.000 1.173 248 H CB 0.887 30.625 29.762 -0.039 0.000 1.420 248 H HN 0.598 nan 8.280 nan 0.000 0.551 249 S N -0.713 115.005 115.700 0.030 0.000 2.703 249 S HA 0.314 4.783 4.470 -0.003 0.000 0.270 249 S C -1.369 173.213 174.600 -0.030 0.000 0.972 249 S CA -0.796 57.402 58.200 -0.003 0.000 0.949 249 S CB 1.128 64.328 63.200 0.000 0.000 1.209 249 S HN 0.113 nan 8.310 nan 0.000 0.464 250 M N 1.320 120.883 119.600 -0.062 0.000 2.520 250 M HA 0.586 5.064 4.480 -0.003 0.000 0.283 250 M C -1.654 174.573 176.300 -0.121 0.000 1.237 250 M CA -0.762 54.492 55.300 -0.075 0.000 0.885 250 M CB 2.211 34.751 32.600 -0.101 0.000 1.727 250 M HN 0.360 nan 8.290 nan 0.000 0.468 251 V N 0.864 120.699 119.914 -0.132 0.000 2.448 251 V HA 0.506 4.624 4.120 -0.003 0.000 0.295 251 V C -0.380 175.528 176.094 -0.310 0.000 1.025 251 V CA -0.540 61.582 62.300 -0.297 0.000 0.859 251 V CB 1.957 33.515 31.823 -0.440 0.000 0.988 251 V HN 0.882 nan 8.190 nan 0.000 0.431 252 T N 5.707 120.057 114.554 -0.340 0.000 2.767 252 T HA 0.631 4.979 4.350 -0.003 0.000 0.284 252 T C -0.427 174.060 174.700 -0.356 0.000 0.973 252 T CA 0.039 62.008 62.100 -0.218 0.000 0.996 252 T CB 0.389 69.185 68.868 -0.120 0.000 0.927 252 T HN 0.286 nan 8.240 nan 0.000 0.456 253 F N 1.723 121.654 119.950 -0.032 0.000 2.411 253 F HA 0.413 4.940 4.527 -0.001 0.000 0.324 253 F C 1.915 177.703 175.800 -0.020 0.000 1.086 253 F CA -1.285 56.701 58.000 -0.025 0.000 1.028 253 F CB 0.562 39.549 39.000 -0.021 0.000 1.284 253 F HN 0.540 nan 8.300 nan 0.000 0.501 254 I N -1.507 119.172 120.570 0.183 0.000 2.567 254 I HA -0.161 4.008 4.170 -0.003 0.000 0.257 254 I C 1.352 177.512 176.117 0.072 0.000 1.184 254 I CA 1.278 62.632 61.300 0.089 0.000 1.451 254 I CB -0.601 37.443 38.000 0.074 0.000 1.089 254 I HN 0.539 nan 8.210 nan 0.000 0.441 255 D N 1.151 121.605 120.400 0.090 0.000 2.347 255 D HA 0.100 4.738 4.640 -0.003 0.000 0.213 255 D C 1.750 178.078 176.300 0.047 0.000 0.985 255 D CA 0.870 54.901 54.000 0.053 0.000 0.879 255 D CB 0.041 40.862 40.800 0.034 0.000 0.919 255 D HN 0.527 nan 8.370 nan 0.000 0.526 256 G N -0.474 108.364 108.800 0.063 0.000 2.184 256 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.206 256 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.206 256 G C 0.241 175.174 174.900 0.055 0.000 0.995 256 G CA 0.170 45.296 45.100 0.044 0.000 0.651 256 G HN 0.572 nan 8.290 nan 0.000 0.511 257 S N 0.713 116.469 115.700 0.094 0.000 2.548 257 S HA 0.621 5.089 4.470 -0.003 0.000 0.277 257 S C 0.398 175.106 174.600 0.181 0.000 1.315 257 S CA 0.900 59.164 58.200 0.106 0.000 1.050 257 S CB 0.801 64.045 63.200 0.074 0.000 0.918 257 S HN 0.461 nan 8.310 nan 0.000 0.497 258 T N 5.985 120.607 114.554 0.114 0.000 2.823 258 T HA 0.522 4.870 4.350 -0.003 0.000 0.279 258 T C -0.607 174.169 174.700 0.127 0.000 0.998 258 T CA -0.569 61.592 62.100 0.101 0.000 0.994 258 T CB 0.671 69.536 68.868 -0.005 0.000 0.960 258 T HN 0.477 nan 8.240 nan 0.000 0.448 259 I N 2.683 123.361 120.570 0.181 0.000 2.404 259 I HA 0.706 4.874 4.170 -0.003 0.000 0.293 259 I C 0.154 176.322 176.117 0.086 0.000 0.992 259 I CA -0.957 60.438 61.300 0.157 0.000 1.149 259 I CB 1.170 39.322 38.000 0.253 0.000 1.315 259 I HN 0.716 nan 8.210 nan 0.000 0.446 260 A N 6.278 129.141 122.820 0.073 0.000 2.401 260 A HA 0.637 4.955 4.320 -0.003 0.000 0.310 260 A C -0.793 176.827 177.584 0.060 0.000 1.075 260 A CA -0.590 51.473 52.037 0.043 0.000 0.746 260 A CB 2.295 21.317 19.000 0.036 0.000 1.277 260 A HN 0.647 nan 8.150 nan 0.000 0.425 261 Q N 0.987 120.811 119.800 0.040 0.000 2.307 261 Q HA 0.657 4.995 4.340 -0.003 0.000 0.262 261 Q C -1.049 174.962 176.000 0.019 0.000 0.961 261 Q CA -0.392 55.452 55.803 0.068 0.000 0.882 261 Q CB 1.710 30.507 28.738 0.099 0.000 1.264 261 Q HN 1.022 nan 8.270 nan 0.000 0.446 262 A N 2.902 125.738 122.820 0.027 0.000 2.371 262 A HA 0.812 5.131 4.320 -0.003 0.000 0.311 262 A C -1.125 176.486 177.584 0.045 0.000 1.068 262 A CA -0.316 51.656 52.037 -0.109 0.000 0.744 262 A CB 1.358 20.201 19.000 -0.262 0.000 1.239 262 A HN 0.816 nan 8.150 nan 0.000 0.435 263 S N 1.142 116.876 115.700 0.056 0.000 2.543 263 S HA 0.729 5.197 4.470 -0.003 0.000 0.274 263 S C -3.460 171.231 174.600 0.151 0.000 1.149 263 S CA -1.304 56.977 58.200 0.135 0.000 0.866 263 S CB 1.308 64.607 63.200 0.164 0.000 1.111 263 S HN 0.350 nan 8.310 nan 0.000 0.457 264 P HA 0.315 nan 4.420 nan 0.000 0.268 264 P C -2.574 174.784 177.300 0.096 0.000 1.204 264 P CA -0.722 62.410 63.100 0.054 0.000 0.768 264 P CB -0.735 30.979 31.700 0.023 0.000 0.842 265 P HA -0.006 nan 4.420 nan 0.000 0.257 265 P C -0.562 176.746 177.300 0.014 0.000 1.162 265 P CA 1.233 64.382 63.100 0.083 0.000 0.762 265 P CB 0.105 31.835 31.700 0.049 0.000 0.753 266 D N 3.898 124.280 120.400 -0.031 0.000 2.219 266 D HA 0.040 4.678 4.640 -0.003 0.000 0.191 266 D C 0.596 176.856 176.300 -0.067 0.000 1.272 266 D CA -0.325 53.655 54.000 -0.034 0.000 0.873 266 D CB 0.595 41.389 40.800 -0.011 0.000 1.730 266 D HN -0.029 nan 8.370 nan 0.000 0.519 267 M N 2.331 121.893 119.600 -0.064 0.000 2.460 267 M HA -0.018 4.461 4.480 -0.003 0.000 0.263 267 M C 1.565 177.832 176.300 -0.055 0.000 1.071 267 M CA 0.947 56.202 55.300 -0.075 0.000 1.096 267 M CB -0.400 32.159 32.600 -0.068 0.000 1.408 267 M HN 0.406 nan 8.290 nan 0.000 0.463 268 K N -0.266 120.112 120.400 -0.036 0.000 2.209 268 K HA -0.161 4.158 4.320 -0.003 0.000 0.204 268 K C 1.852 178.447 176.600 -0.008 0.000 1.048 268 K CA 0.749 57.024 56.287 -0.020 0.000 0.940 268 K CB -0.214 32.284 32.500 -0.004 0.000 0.729 268 K HN 0.153 nan 8.250 nan 0.000 0.451 269 L N 2.152 123.366 121.223 -0.015 0.000 1.948 269 L HA -0.119 4.220 4.340 -0.003 0.000 0.212 269 L C -1.200 175.675 176.870 0.008 0.000 1.074 269 L CA 1.913 56.754 54.840 0.001 0.000 0.753 269 L CB -1.139 40.910 42.059 -0.016 0.000 0.888 269 L HN 0.042 nan 8.230 nan 0.000 0.432 270 P HA -0.160 nan 4.420 nan 0.000 0.218 270 P C 2.184 179.489 177.300 0.009 0.000 1.149 270 P CA 1.744 64.841 63.100 -0.004 0.000 0.817 270 P CB -0.054 31.615 31.700 -0.053 0.000 0.785 271 I N 0.830 121.389 120.570 -0.018 0.000 2.179 271 I HA -0.242 3.926 4.170 -0.003 0.000 0.242 271 I C 2.797 178.899 176.117 -0.026 0.000 1.088 271 I CA 2.014 63.294 61.300 -0.035 0.000 1.357 271 I CB -0.867 37.098 38.000 -0.058 0.000 1.051 271 I HN 0.074 nan 8.210 nan 0.000 0.409 272 S N 1.291 116.994 115.700 0.006 0.000 2.359 272 S HA -0.228 4.240 4.470 -0.003 0.000 0.224 272 S C 2.027 176.712 174.600 0.141 0.000 1.035 272 S CA 1.169 59.402 58.200 0.055 0.000 1.018 272 S CB -0.898 62.361 63.200 0.099 0.000 0.876 272 S HN 0.348 nan 8.310 nan 0.000 0.448 273 L N 2.104 123.420 121.223 0.155 0.000 2.093 273 L HA 0.219 4.557 4.340 -0.003 0.000 0.208 273 L C 2.734 179.798 176.870 0.324 0.000 1.085 273 L CA 1.590 56.584 54.840 0.255 0.000 0.755 273 L CB -1.303 40.921 42.059 0.275 0.000 0.904 273 L HN 0.390 nan 8.230 nan 0.000 0.435 274 A N -0.642 122.286 122.820 0.180 0.000 1.902 274 A HA -0.165 4.153 4.320 -0.003 0.000 0.217 274 A C 2.265 179.924 177.584 0.125 0.000 1.181 274 A CA 1.900 54.005 52.037 0.113 0.000 0.623 274 A CB -0.823 18.179 19.000 0.003 0.000 0.818 274 A HN 0.477 nan 8.150 nan 0.000 0.443 275 L N -1.086 120.170 121.223 0.055 0.000 2.046 275 L HA -0.118 4.221 4.340 -0.003 0.000 0.208 275 L C 2.544 179.597 176.870 0.305 0.000 1.077 275 L CA 1.282 56.117 54.840 -0.009 0.000 0.747 275 L CB -0.519 41.247 42.059 -0.487 0.000 0.896 275 L HN 0.516 nan 8.230 nan 0.000 0.432 276 G N -2.201 106.851 108.800 0.421 0.000 3.088 276 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.217 276 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.217 276 G C 0.418 175.482 174.900 0.274 0.000 1.159 276 G CA -0.542 44.822 45.100 0.440 0.000 0.760 276 G HN 0.224 nan 8.290 nan 0.000 0.550 277 W N 2.644 124.015 121.300 0.118 0.000 2.484 277 W HA 0.021 4.680 4.660 -0.001 0.000 0.337 277 W C -1.538 175.019 176.519 0.063 0.000 1.214 277 W CA -0.742 56.649 57.345 0.077 0.000 1.296 277 W CB 0.928 30.425 29.460 0.063 0.000 1.174 277 W HN 0.118 nan 8.180 nan 0.000 0.564 278 P HA 0.047 nan 4.420 nan 0.000 0.255 278 P C 0.086 177.032 177.300 -0.590 0.000 1.248 278 P CA 0.408 62.796 63.100 -1.187 0.000 0.807 278 P CB 0.082 31.204 31.700 -0.964 0.000 1.150 279 R N 1.248 121.600 120.500 -0.246 0.000 2.254 279 R HA 0.276 4.615 4.340 -0.003 0.000 0.318 279 R C 0.238 176.512 176.300 -0.045 0.000 1.031 279 R CA -0.545 55.473 56.100 -0.136 0.000 0.905 279 R CB 0.704 30.951 30.300 -0.089 0.000 1.050 279 R HN 0.003 nan 8.270 nan 0.000 0.456 280 R N 1.937 122.411 120.500 -0.043 0.000 2.694 280 R HA 0.135 4.473 4.340 -0.003 0.000 0.268 280 R C -0.467 175.857 176.300 0.040 0.000 1.061 280 R CA -0.308 55.804 56.100 0.020 0.000 1.133 280 R CB 0.815 31.121 30.300 0.010 0.000 1.020 280 R HN 0.281 nan 8.270 nan 0.000 0.475 281 V N 2.097 122.060 119.914 0.082 0.000 2.328 281 V HA 0.047 4.165 4.120 -0.003 0.000 0.278 281 V C 0.445 176.579 176.094 0.066 0.000 1.021 281 V CA -0.429 61.926 62.300 0.091 0.000 0.838 281 V CB 1.310 33.243 31.823 0.184 0.000 0.999 281 V HN 0.791 nan 8.190 nan 0.000 0.447 282 S N 4.373 120.097 115.700 0.040 0.000 2.575 282 S HA 0.338 4.806 4.470 -0.003 0.000 0.295 282 S C 1.404 176.029 174.600 0.042 0.000 1.267 282 S CA 0.927 59.148 58.200 0.034 0.000 1.074 282 S CB -0.041 63.171 63.200 0.019 0.000 0.829 282 S HN 1.923 nan 8.310 nan 0.000 0.497 283 G N 3.369 112.194 108.800 0.042 0.000 2.148 283 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.254 283 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.254 283 G C 0.977 175.905 174.900 0.046 0.000 0.981 283 G CA 0.497 45.621 45.100 0.041 0.000 0.670 283 G HN 1.389 nan 8.290 nan 0.000 0.528 284 A N -0.808 122.044 122.820 0.054 0.000 1.917 284 A HA 0.497 4.816 4.320 -0.003 0.000 0.219 284 A C 1.634 179.241 177.584 0.038 0.000 1.182 284 A CA 2.644 54.714 52.037 0.054 0.000 0.633 284 A CB -0.167 18.871 19.000 0.063 0.000 0.819 284 A HN 2.407 nan 8.150 nan 0.000 0.448 285 A N -2.947 119.894 122.820 0.036 0.000 2.602 285 A HA 0.700 5.018 4.320 -0.003 0.000 0.290 285 A C -0.173 177.430 177.584 0.031 0.000 1.114 285 A CA -0.132 51.922 52.037 0.028 0.000 0.683 285 A CB 0.128 19.141 19.000 0.021 0.000 1.281 285 A HN 1.502 nan 8.150 nan 0.000 0.416 286 A N 0.139 122.974 122.820 0.026 0.000 2.388 286 A HA 0.656 4.974 4.320 -0.003 0.000 0.257 286 A C 0.663 178.264 177.584 0.028 0.000 1.095 286 A CA 0.413 52.465 52.037 0.025 0.000 0.791 286 A CB -0.089 18.922 19.000 0.018 0.000 1.029 286 A HN 2.341 nan 8.150 nan 0.000 0.489 287 A N 0.991 123.828 122.820 0.028 0.000 2.271 287 A HA 0.488 4.807 4.320 -0.003 0.000 0.288 287 A C 0.464 178.033 177.584 -0.024 0.000 1.094 287 A CA -0.357 51.697 52.037 0.029 0.000 0.828 287 A CB -0.115 18.916 19.000 0.051 0.000 1.091 287 A HN 1.022 nan 8.150 nan 0.000 0.493 288 C N 1.629 120.897 119.300 -0.054 0.000 2.563 288 C HA 0.159 4.617 4.460 -0.003 0.000 0.411 288 C C 0.545 175.251 174.990 -0.474 0.000 1.386 288 C CA 0.280 59.144 59.018 -0.257 0.000 1.703 288 C CB -1.002 26.578 27.740 -0.266 0.000 2.596 288 C HN 0.784 nan 8.230 nan 0.000 0.605 289 D N 1.129 121.228 120.400 -0.502 0.000 2.408 289 D HA 0.346 4.984 4.640 -0.003 0.000 0.243 289 D C -0.338 175.662 176.300 -0.500 0.000 1.075 289 D CA -0.426 53.362 54.000 -0.354 0.000 0.832 289 D CB 0.713 41.473 40.800 -0.066 0.000 1.162 289 D HN 0.514 nan 8.370 nan 0.000 0.515 290 F N 1.734 121.625 119.950 -0.099 0.000 2.641 290 F HA 0.177 4.702 4.527 -0.003 0.000 0.302 290 F C 1.668 177.369 175.800 -0.165 0.000 1.098 290 F CA -0.305 57.616 58.000 -0.132 0.000 1.318 290 F CB 0.202 39.111 39.000 -0.151 0.000 1.035 290 F HN 0.475 nan 8.300 nan 0.000 0.551 291 H N -1.324 117.810 119.070 0.107 0.000 2.495 291 H HA -0.024 4.530 4.556 -0.003 0.000 0.287 291 H C 1.177 176.535 175.328 0.050 0.000 1.033 291 H CA 1.190 57.281 56.048 0.071 0.000 1.307 291 H CB 0.184 29.973 29.762 0.044 0.000 1.401 291 H HN 0.022 nan 8.280 nan 0.000 0.555 292 T N 0.101 114.735 114.554 0.135 0.000 2.829 292 T HA 0.624 4.972 4.350 -0.003 0.000 0.280 292 T C -0.240 174.496 174.700 0.061 0.000 0.999 292 T CA -0.768 61.382 62.100 0.083 0.000 0.983 292 T CB 0.795 69.702 68.868 0.064 0.000 0.968 292 T HN 0.321 nan 8.240 nan 0.000 0.446 293 A N 3.577 126.424 122.820 0.045 0.000 2.498 293 A HA 0.589 4.907 4.320 -0.003 0.000 0.239 293 A C 0.580 178.177 177.584 0.023 0.000 1.068 293 A CA 0.135 52.188 52.037 0.027 0.000 0.766 293 A CB -0.280 18.729 19.000 0.015 0.000 1.003 293 A HN 1.415 nan 8.150 nan 0.000 0.497 294 S N 0.353 116.054 115.700 0.003 0.000 2.625 294 S HA 0.821 5.289 4.470 -0.003 0.000 0.271 294 S C -0.677 173.891 174.600 -0.053 0.000 1.161 294 S CA -0.049 58.156 58.200 0.008 0.000 0.820 294 S CB 1.372 64.608 63.200 0.060 0.000 1.137 294 S HN 1.869 nan 8.310 nan 0.000 0.470 295 S N 0.184 115.885 115.700 0.002 0.000 2.548 295 S HA 0.776 5.245 4.470 -0.003 0.000 0.286 295 S C -1.834 172.880 174.600 0.190 0.000 1.098 295 S CA -0.770 57.420 58.200 -0.016 0.000 0.930 295 S CB 0.756 63.962 63.200 0.011 0.000 1.070 295 S HN 0.753 nan 8.310 nan 0.000 0.480 296 W N 1.645 122.947 121.300 0.003 0.000 2.318 296 W HA 0.501 5.160 4.660 -0.002 0.000 0.315 296 W C -0.049 176.319 176.519 -0.252 0.000 1.033 296 W CA -1.152 56.162 57.345 -0.052 0.000 1.275 296 W CB 0.156 29.590 29.460 -0.043 0.000 1.250 296 W HN 0.741 nan 8.180 nan 0.000 0.421 297 E N 2.077 122.234 120.200 -0.072 0.000 2.231 297 E HA 0.609 4.957 4.350 -0.003 0.000 0.277 297 E C -1.080 175.273 176.600 -0.410 0.000 0.999 297 E CA -0.664 55.648 56.400 -0.146 0.000 0.827 297 E CB 1.556 31.237 29.700 -0.030 0.000 1.101 297 E HN 0.070 nan 8.360 nan 0.000 0.393 298 F N 1.020 121.070 119.950 0.166 0.000 2.577 298 F HA 0.392 4.916 4.527 -0.005 0.000 0.318 298 F C 0.012 175.863 175.800 0.086 0.000 1.065 298 F CA -0.842 57.231 58.000 0.122 0.000 0.929 298 F CB 1.870 40.911 39.000 0.070 0.000 1.237 298 F HN 0.383 nan 8.300 nan 0.000 0.468 299 E N 1.136 121.489 120.200 0.255 0.000 2.375 299 E HA 0.492 4.840 4.350 -0.003 0.000 0.280 299 E C -3.321 173.361 176.600 0.136 0.000 0.972 299 E CA -2.319 54.178 56.400 0.162 0.000 0.782 299 E CB 2.519 32.289 29.700 0.117 0.000 1.229 299 E HN 0.150 nan 8.360 nan 0.000 0.439 300 P HA 0.119 nan 4.420 nan 0.000 0.274 300 P C -0.679 176.678 177.300 0.095 0.000 1.246 300 P CA -0.664 62.492 63.100 0.094 0.000 0.795 300 P CB 0.664 32.413 31.700 0.082 0.000 1.006 301 L N 1.547 122.824 121.223 0.089 0.000 2.326 301 L HA 0.305 4.643 4.340 -0.003 0.000 0.278 301 L C 0.094 177.055 176.870 0.152 0.000 1.092 301 L CA -0.156 54.745 54.840 0.103 0.000 0.810 301 L CB 0.083 42.188 42.059 0.076 0.000 1.153 301 L HN 0.206 nan 8.230 nan 0.000 0.439 302 D N 2.405 122.942 120.400 0.228 0.000 2.359 302 D HA 0.024 4.663 4.640 -0.003 0.000 0.250 302 D C 1.173 177.612 176.300 0.231 0.000 1.264 302 D CA 0.440 54.569 54.000 0.214 0.000 0.911 302 D CB 1.004 41.934 40.800 0.216 0.000 1.056 302 D HN 0.756 nan 8.370 nan 0.000 0.499 303 T N 0.195 114.841 114.554 0.154 0.000 3.007 303 T HA -0.123 4.226 4.350 -0.003 0.000 0.270 303 T C 1.098 175.854 174.700 0.094 0.000 1.107 303 T CA 0.625 62.806 62.100 0.135 0.000 1.118 303 T CB 0.190 69.114 68.868 0.093 0.000 0.889 303 T HN 0.214 nan 8.240 nan 0.000 0.506 304 D N 0.955 121.396 120.400 0.068 0.000 2.162 304 D HA 0.039 4.677 4.640 -0.003 0.000 0.203 304 D C 2.192 178.474 176.300 -0.031 0.000 0.967 304 D CA 0.675 54.687 54.000 0.020 0.000 0.840 304 D CB 0.110 40.920 40.800 0.017 0.000 0.972 304 D HN 0.360 nan 8.370 nan 0.000 0.482 305 V N -0.090 119.792 119.914 -0.052 0.000 2.649 305 V HA -0.046 4.073 4.120 -0.003 0.000 0.248 305 V C 0.583 176.365 176.094 -0.520 0.000 1.054 305 V CA 0.887 63.017 62.300 -0.282 0.000 1.073 305 V CB -0.168 31.469 31.823 -0.309 0.000 0.699 305 V HN 0.015 nan 8.190 nan 0.000 0.463 306 F N 1.371 121.359 119.950 0.064 0.000 2.449 306 F HA 0.410 4.935 4.527 -0.003 0.000 0.344 306 F C -1.831 173.994 175.800 0.043 0.000 1.180 306 F CA -1.777 56.259 58.000 0.059 0.000 1.209 306 F CB 1.166 40.214 39.000 0.080 0.000 1.440 306 F HN 0.055 nan 8.300 nan 0.000 0.526 307 P HA 0.047 nan 4.420 nan 0.000 0.249 307 P C 1.299 178.666 177.300 0.112 0.000 1.229 307 P CA 0.465 63.620 63.100 0.093 0.000 0.788 307 P CB 0.375 32.097 31.700 0.038 0.000 1.072 308 A N 0.408 123.314 122.820 0.144 0.000 1.940 308 A HA -0.127 4.192 4.320 -0.003 0.000 0.219 308 A C 2.226 179.928 177.584 0.198 0.000 1.176 308 A CA 1.793 53.937 52.037 0.178 0.000 0.631 308 A CB -1.495 17.602 19.000 0.162 0.000 0.814 308 A HN 0.105 nan 8.150 nan 0.000 0.446 309 V N -0.291 119.704 119.914 0.135 0.000 2.379 309 V HA -0.170 3.949 4.120 -0.003 0.000 0.245 309 V C 2.536 178.647 176.094 0.029 0.000 1.044 309 V CA 2.129 64.477 62.300 0.081 0.000 1.036 309 V CB -0.691 31.179 31.823 0.078 0.000 0.664 309 V HN 0.623 nan 8.190 nan 0.000 0.453 310 E N 0.627 120.853 120.200 0.043 0.000 2.110 310 E HA -0.162 4.187 4.350 -0.003 0.000 0.193 310 E C 2.044 178.630 176.600 -0.022 0.000 0.988 310 E CA 1.288 57.693 56.400 0.008 0.000 0.804 310 E CB -0.417 29.298 29.700 0.025 0.000 0.745 310 E HN 0.526 nan 8.360 nan 0.000 0.458 311 L N -0.357 120.886 121.223 0.034 0.000 2.046 311 L HA -0.179 4.159 4.340 -0.003 0.000 0.208 311 L C 2.422 179.224 176.870 -0.112 0.000 1.077 311 L CA 1.176 56.056 54.840 0.066 0.000 0.747 311 L CB -0.639 41.568 42.059 0.247 0.000 0.896 311 L HN 0.217 nan 8.230 nan 0.000 0.432 312 A N 0.141 122.786 122.820 -0.292 0.000 1.877 312 A HA -0.225 4.093 4.320 -0.003 0.000 0.216 312 A C 2.347 179.599 177.584 -0.554 0.000 1.186 312 A CA 1.529 53.117 52.037 -0.748 0.000 0.620 312 A CB -0.504 18.154 19.000 -0.569 0.000 0.822 312 A HN 0.325 nan 8.150 nan 0.000 0.443 313 R N -0.604 119.656 120.500 -0.399 0.000 2.083 313 R HA -0.199 4.140 4.340 -0.003 0.000 0.237 313 R C 2.504 178.461 176.300 -0.572 0.000 1.137 313 R CA 1.818 57.573 56.100 -0.574 0.000 0.951 313 R CB -0.468 29.697 30.300 -0.225 0.000 0.851 313 R HN 0.710 nan 8.270 nan 0.000 0.434 314 Q N 0.113 119.727 119.800 -0.310 0.000 2.061 314 Q HA -0.172 4.167 4.340 -0.003 0.000 0.204 314 Q C 2.269 178.127 176.000 -0.237 0.000 0.984 314 Q CA 1.812 57.489 55.803 -0.209 0.000 0.846 314 Q CB -0.247 28.438 28.738 -0.088 0.000 0.902 314 Q HN 0.391 nan 8.270 nan 0.000 0.421 315 A N 0.860 123.527 122.820 -0.256 0.000 1.902 315 A HA -0.128 4.190 4.320 -0.003 0.000 0.217 315 A C 2.297 179.709 177.584 -0.287 0.000 1.181 315 A CA 1.712 53.623 52.037 -0.210 0.000 0.623 315 A CB -1.234 17.647 19.000 -0.198 0.000 0.818 315 A HN 0.499 nan 8.150 nan 0.000 0.443 316 G N -0.665 107.811 108.800 -0.541 0.000 2.418 316 G HA2 -0.095 3.863 3.960 -0.003 0.000 0.217 316 G HA3 -0.095 3.863 3.960 -0.003 0.000 0.217 316 G C 1.509 176.122 174.900 -0.478 0.000 1.158 316 G CA 1.203 45.922 45.100 -0.634 0.000 0.771 316 G HN 0.315 nan 8.290 nan 0.000 0.545 317 V N 1.636 121.203 119.914 -0.579 0.000 2.343 317 V HA -0.142 3.977 4.120 -0.003 0.000 0.247 317 V C 3.343 179.371 176.094 -0.110 0.000 1.051 317 V CA 1.958 64.120 62.300 -0.230 0.000 1.036 317 V CB -0.870 30.841 31.823 -0.187 0.000 0.654 317 V HN 0.476 nan 8.190 nan 0.000 0.451 318 A N -0.759 121.989 122.820 -0.121 0.000 1.917 318 A HA 0.176 4.494 4.320 -0.003 0.000 0.219 318 A C 1.722 179.288 177.584 -0.031 0.000 1.182 318 A CA 1.855 53.855 52.037 -0.061 0.000 0.633 318 A CB -1.032 17.936 19.000 -0.053 0.000 0.819 318 A HN 1.288 nan 8.150 nan 0.000 0.448 319 G N -3.064 105.718 108.800 -0.031 0.000 2.642 319 G HA2 0.269 4.227 3.960 -0.003 0.000 0.231 319 G HA3 0.269 4.227 3.960 -0.003 0.000 0.231 319 G C 1.216 176.131 174.900 0.026 0.000 1.338 319 G CA 0.678 45.786 45.100 0.015 0.000 0.883 319 G HN 2.345 nan 8.290 nan 0.000 0.570 320 G N -1.980 106.843 108.800 0.039 0.000 2.602 320 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.310 320 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.310 320 G C 1.361 176.296 174.900 0.058 0.000 1.183 320 G CA 1.868 46.997 45.100 0.048 0.000 0.979 320 G HN 2.199 nan 8.290 nan 0.000 0.545 321 C N 1.512 120.866 119.300 0.089 0.000 2.884 321 C HA 0.434 4.892 4.460 -0.003 0.000 0.287 321 C C 2.702 177.721 174.990 0.048 0.000 1.310 321 C CA 0.636 59.694 59.018 0.067 0.000 1.725 321 C CB -0.918 26.883 27.740 0.101 0.000 2.060 321 C HN 0.521 nan 8.230 nan 0.000 0.618 322 M N 1.764 121.402 119.600 0.062 0.000 2.213 322 M HA -0.091 4.387 4.480 -0.003 0.000 0.263 322 M C 2.403 178.735 176.300 0.053 0.000 1.062 322 M CA 1.994 57.328 55.300 0.057 0.000 1.105 322 M CB -1.782 30.835 32.600 0.028 0.000 1.385 322 M HN 0.651 nan 8.290 nan 0.000 0.417 323 T N -1.538 113.032 114.554 0.028 0.000 2.942 323 T HA 0.114 4.462 4.350 -0.003 0.000 0.265 323 T C 1.958 176.713 174.700 0.092 0.000 1.062 323 T CA 1.079 63.204 62.100 0.041 0.000 1.139 323 T CB -0.477 68.390 68.868 -0.003 0.000 0.883 323 T HN 0.293 nan 8.240 nan 0.000 0.468 324 A N 1.295 124.137 122.820 0.037 0.000 1.940 324 A HA 0.043 4.362 4.320 -0.003 0.000 0.219 324 A C 2.592 180.177 177.584 0.001 0.000 1.176 324 A CA 1.653 53.691 52.037 0.002 0.000 0.631 324 A CB -1.139 17.825 19.000 -0.060 0.000 0.814 324 A HN 0.418 nan 8.150 nan 0.000 0.446 325 V N -1.486 118.432 119.914 0.007 0.000 2.295 325 V HA -0.284 3.835 4.120 -0.003 0.000 0.246 325 V C 2.297 178.456 176.094 0.109 0.000 1.049 325 V CA 2.071 64.397 62.300 0.044 0.000 1.024 325 V CB -1.103 30.768 31.823 0.080 0.000 0.648 325 V HN 0.707 nan 8.190 nan 0.000 0.447 326 Y N 1.873 122.180 120.300 0.011 0.000 2.069 326 Y HA -0.379 4.151 4.550 -0.032 0.000 0.278 326 Y C 2.562 178.463 175.900 0.001 0.000 1.175 326 Y CA 2.604 60.709 58.100 0.009 0.000 1.134 326 Y CB -0.458 38.001 38.460 -0.003 0.000 0.965 326 Y HN 0.387 nan 8.280 nan 0.000 0.498 327 N N -0.002 118.783 118.700 0.142 0.000 2.106 327 N HA -0.160 4.578 4.740 -0.003 0.000 0.188 327 N C 1.859 177.344 175.510 -0.042 0.000 1.029 327 N CA 1.682 54.755 53.050 0.039 0.000 0.848 327 N CB -0.605 37.944 38.487 0.103 0.000 1.007 327 N HN 0.474 nan 8.380 nan 0.000 0.423 328 A N 0.248 123.053 122.820 -0.024 0.000 1.933 328 A HA 0.043 4.362 4.320 -0.003 0.000 0.218 328 A C 2.325 179.874 177.584 -0.058 0.000 1.175 328 A CA 1.859 53.872 52.037 -0.040 0.000 0.628 328 A CB -1.230 17.747 19.000 -0.038 0.000 0.814 328 A HN 0.453 nan 8.150 nan 0.000 0.444 329 A N 0.275 123.055 122.820 -0.067 0.000 1.902 329 A HA -0.216 4.102 4.320 -0.003 0.000 0.217 329 A C 1.957 179.462 177.584 -0.132 0.000 1.181 329 A CA 2.096 54.081 52.037 -0.087 0.000 0.623 329 A CB -0.784 18.174 19.000 -0.070 0.000 0.818 329 A HN 0.640 nan 8.150 nan 0.000 0.443 330 N N -0.117 118.462 118.700 -0.201 0.000 2.069 330 N HA -0.189 4.549 4.740 -0.003 0.000 0.191 330 N C 1.687 177.133 175.510 -0.107 0.000 1.031 330 N CA 1.875 54.806 53.050 -0.199 0.000 0.852 330 N CB -0.202 38.125 38.487 -0.266 0.000 1.018 330 N HN 0.440 nan 8.380 nan 0.000 0.423 331 E N 0.155 120.308 120.200 -0.078 0.000 2.070 331 E HA -0.231 4.117 4.350 -0.003 0.000 0.197 331 E C 1.781 178.360 176.600 -0.035 0.000 1.004 331 E CA 1.124 57.498 56.400 -0.043 0.000 0.805 331 E CB -0.330 29.349 29.700 -0.034 0.000 0.744 331 E HN 0.512 nan 8.360 nan 0.000 0.451 332 E N 0.717 120.889 120.200 -0.047 0.000 2.047 332 E HA -0.077 4.272 4.350 -0.003 0.000 0.191 332 E C 1.893 178.475 176.600 -0.030 0.000 0.987 332 E CA 1.406 57.782 56.400 -0.040 0.000 0.799 332 E CB -0.294 29.373 29.700 -0.053 0.000 0.752 332 E HN 0.191 nan 8.360 nan 0.000 0.449 333 A N 0.643 123.435 122.820 -0.046 0.000 1.898 333 A HA -0.017 4.301 4.320 -0.003 0.000 0.216 333 A C 2.400 179.991 177.584 0.011 0.000 1.181 333 A CA 2.008 54.024 52.037 -0.036 0.000 0.620 333 A CB -0.931 18.020 19.000 -0.082 0.000 0.819 333 A HN 0.360 nan 8.150 nan 0.000 0.442 334 A N -0.236 122.586 122.820 0.004 0.000 1.930 334 A HA 0.224 4.542 4.320 -0.003 0.000 0.217 334 A C 2.454 180.114 177.584 0.125 0.000 1.175 334 A CA 1.865 53.947 52.037 0.074 0.000 0.627 334 A CB -0.874 18.146 19.000 0.034 0.000 0.815 334 A HN 1.004 nan 8.150 nan 0.000 0.443 335 A N -0.248 122.606 122.820 0.057 0.000 1.969 335 A HA 0.251 4.569 4.320 -0.003 0.000 0.218 335 A C 2.421 180.022 177.584 0.028 0.000 1.169 335 A CA 1.732 53.790 52.037 0.035 0.000 0.635 335 A CB -0.796 18.209 19.000 0.008 0.000 0.810 335 A HN 0.961 nan 8.150 nan 0.000 0.445 336 A N -1.007 121.837 122.820 0.039 0.000 1.930 336 A HA 0.019 4.337 4.320 -0.003 0.000 0.217 336 A C 1.983 179.608 177.584 0.069 0.000 1.175 336 A CA 1.488 53.545 52.037 0.034 0.000 0.627 336 A CB -0.653 18.363 19.000 0.026 0.000 0.815 336 A HN 0.721 nan 8.150 nan 0.000 0.443 337 F N 0.726 120.673 119.950 -0.005 0.000 2.113 337 F HA -0.091 4.440 4.527 0.006 0.000 0.297 337 F C 1.773 177.596 175.800 0.038 0.000 1.103 337 F CA 1.574 59.588 58.000 0.023 0.000 1.248 337 F CB -0.423 38.602 39.000 0.042 0.000 0.999 337 F HN 0.120 nan 8.300 nan 0.000 0.475 338 L N 0.178 121.270 121.223 -0.220 0.000 2.187 338 L HA -0.171 4.167 4.340 -0.003 0.000 0.213 338 L C 2.522 179.253 176.870 -0.231 0.000 1.100 338 L CA 1.117 55.783 54.840 -0.289 0.000 0.765 338 L CB -1.010 41.011 42.059 -0.063 0.000 0.904 338 L HN 0.315 nan 8.230 nan 0.000 0.437 339 A N -0.734 121.999 122.820 -0.145 0.000 2.218 339 A HA 0.303 4.621 4.320 -0.003 0.000 0.209 339 A C 1.741 179.260 177.584 -0.109 0.000 1.168 339 A CA 0.682 52.658 52.037 -0.101 0.000 0.804 339 A CB -0.271 18.698 19.000 -0.053 0.000 0.834 339 A HN 0.493 nan 8.150 nan 0.000 0.482 340 G N -0.506 108.198 108.800 -0.161 0.000 2.143 340 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.248 340 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.248 340 G C 0.927 175.805 174.900 -0.038 0.000 0.991 340 G CA 0.599 45.627 45.100 -0.119 0.000 0.689 340 G HN 0.542 nan 8.290 nan 0.000 0.522 341 R N -0.328 120.161 120.500 -0.019 0.000 2.200 341 R HA 0.343 4.681 4.340 -0.003 0.000 0.208 341 R C 1.553 177.874 176.300 0.035 0.000 1.033 341 R CA 1.418 57.522 56.100 0.005 0.000 1.000 341 R CB 0.024 30.323 30.300 -0.001 0.000 0.906 341 R HN 0.797 nan 8.270 nan 0.000 0.462 342 I N -4.878 115.741 120.570 0.081 0.000 3.191 342 I HA 0.595 4.763 4.170 -0.003 0.000 0.313 342 I C -0.187 176.080 176.117 0.249 0.000 1.193 342 I CA -1.457 59.915 61.300 0.121 0.000 0.968 342 I CB 1.771 39.826 38.000 0.091 0.000 1.262 342 I HN -0.174 nan 8.210 nan 0.000 0.456 343 G N 0.507 109.426 108.800 0.199 0.000 2.504 343 G HA2 0.301 4.259 3.960 -0.003 0.000 0.288 343 G HA3 0.301 4.259 3.960 -0.003 0.000 0.288 343 G C -0.089 174.897 174.900 0.145 0.000 1.182 343 G CA -0.471 44.787 45.100 0.263 0.000 0.894 343 G HN 0.763 nan 8.290 nan 0.000 0.521 344 F N 1.959 121.776 119.950 -0.220 0.000 2.091 344 F HA -0.067 4.467 4.527 0.013 0.000 0.299 344 F C 0.028 175.603 175.800 -0.376 0.000 1.103 344 F CA 1.871 59.435 58.000 -0.726 0.000 1.228 344 F CB -0.504 38.063 39.000 -0.720 0.000 0.984 344 F HN 0.314 nan 8.300 nan 0.000 0.477 345 P HA -0.085 nan 4.420 nan 0.000 0.222 345 P C 1.204 178.364 177.300 -0.233 0.000 1.147 345 P CA 1.783 64.744 63.100 -0.231 0.000 0.790 345 P CB -0.360 31.274 31.700 -0.110 0.000 0.780 346 A N -1.046 121.666 122.820 -0.179 0.000 2.168 346 A HA -0.059 4.259 4.320 -0.003 0.000 0.215 346 A C 2.013 179.501 177.584 -0.160 0.000 1.152 346 A CA 0.595 52.555 52.037 -0.127 0.000 0.716 346 A CB -1.358 17.609 19.000 -0.056 0.000 0.794 346 A HN 0.116 nan 8.150 nan 0.000 0.465 347 I N -0.626 119.785 120.570 -0.265 0.000 2.099 347 I HA -0.238 3.930 4.170 -0.003 0.000 0.239 347 I C 2.271 178.254 176.117 -0.224 0.000 1.066 347 I CA 1.482 62.627 61.300 -0.259 0.000 1.324 347 I CB -0.413 37.350 38.000 -0.394 0.000 1.037 347 I HN 0.151 nan 8.210 nan 0.000 0.401 348 V N 0.950 120.713 119.914 -0.251 0.000 2.548 348 V HA -0.132 3.986 4.120 -0.003 0.000 0.249 348 V C 2.542 178.567 176.094 -0.116 0.000 1.055 348 V CA 1.827 64.024 62.300 -0.171 0.000 1.065 348 V CB -1.316 30.422 31.823 -0.143 0.000 0.681 348 V HN 0.595 nan 8.190 nan 0.000 0.462 349 G N 0.394 109.122 108.800 -0.122 0.000 2.491 349 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.218 349 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.218 349 G C 1.582 176.443 174.900 -0.065 0.000 1.180 349 G CA 1.297 46.347 45.100 -0.084 0.000 0.774 349 G HN 0.488 nan 8.290 nan 0.000 0.562 350 I N 0.583 121.106 120.570 -0.078 0.000 2.226 350 I HA -0.117 4.051 4.170 -0.003 0.000 0.245 350 I C 2.663 178.747 176.117 -0.054 0.000 1.100 350 I CA 0.641 61.904 61.300 -0.061 0.000 1.374 350 I CB -0.164 37.796 38.000 -0.067 0.000 1.057 350 I HN 0.167 nan 8.210 nan 0.000 0.413 351 I N 0.691 121.209 120.570 -0.087 0.000 2.163 351 I HA -0.344 3.824 4.170 -0.003 0.000 0.243 351 I C 2.783 178.902 176.117 0.003 0.000 1.085 351 I CA 1.501 62.746 61.300 -0.091 0.000 1.347 351 I CB -0.575 37.297 38.000 -0.213 0.000 1.044 351 I HN 0.207 nan 8.210 nan 0.000 0.408 352 A N 0.617 123.443 122.820 0.009 0.000 1.877 352 A HA -0.247 4.072 4.320 -0.003 0.000 0.216 352 A C 1.986 179.620 177.584 0.082 0.000 1.186 352 A CA 2.183 54.250 52.037 0.051 0.000 0.620 352 A CB -0.652 18.358 19.000 0.016 0.000 0.822 352 A HN 0.362 nan 8.150 nan 0.000 0.443 353 D N -0.234 120.195 120.400 0.050 0.000 2.097 353 D HA -0.109 4.529 4.640 -0.003 0.000 0.195 353 D C 2.102 178.479 176.300 0.128 0.000 0.989 353 D CA 1.521 55.566 54.000 0.075 0.000 0.827 353 D CB -0.581 40.234 40.800 0.025 0.000 0.966 353 D HN 0.216 nan 8.370 nan 0.000 0.456 354 V N 1.085 121.057 119.914 0.096 0.000 2.343 354 V HA -0.208 3.910 4.120 -0.003 0.000 0.247 354 V C 2.680 178.943 176.094 0.282 0.000 1.051 354 V CA 1.124 63.511 62.300 0.144 0.000 1.036 354 V CB -0.449 31.416 31.823 0.071 0.000 0.654 354 V HN 0.187 nan 8.190 nan 0.000 0.451 355 L N -0.633 120.722 121.223 0.221 0.000 2.046 355 L HA -0.216 4.123 4.340 -0.003 0.000 0.208 355 L C 2.602 179.597 176.870 0.208 0.000 1.077 355 L CA 1.929 56.901 54.840 0.221 0.000 0.747 355 L CB -0.640 41.530 42.059 0.186 0.000 0.896 355 L HN 0.464 nan 8.230 nan 0.000 0.432 356 H N -0.229 118.912 119.070 0.119 0.000 2.456 356 H HA -0.104 4.457 4.556 0.009 0.000 0.296 356 H C 1.851 177.251 175.328 0.119 0.000 1.079 356 H CA 1.317 57.420 56.048 0.091 0.000 1.322 356 H CB 0.217 30.017 29.762 0.064 0.000 1.388 356 H HN 0.306 nan 8.280 nan 0.000 0.538 357 A N -0.533 122.391 122.820 0.175 0.000 2.275 357 A HA 0.457 4.775 4.320 -0.003 0.000 0.212 357 A C 1.909 179.656 177.584 0.273 0.000 1.201 357 A CA 0.523 52.690 52.037 0.216 0.000 0.843 357 A CB -0.339 18.865 19.000 0.341 0.000 0.873 357 A HN 0.490 nan 8.150 nan 0.000 0.492 358 A N -0.655 122.268 122.820 0.172 0.000 2.387 358 A HA 0.233 4.551 4.320 -0.003 0.000 0.234 358 A C 0.972 178.479 177.584 -0.127 0.000 1.253 358 A CA 0.375 52.405 52.037 -0.012 0.000 0.894 358 A CB -0.164 18.944 19.000 0.180 0.000 0.963 358 A HN 0.259 nan 8.150 nan 0.000 0.508 359 D N 0.977 121.298 120.400 -0.131 0.000 2.228 359 D HA -0.240 4.398 4.640 -0.003 0.000 0.203 359 D C 2.235 178.395 176.300 -0.233 0.000 0.988 359 D CA 1.632 55.546 54.000 -0.144 0.000 0.864 359 D CB -0.183 40.538 40.800 -0.132 0.000 0.928 359 D HN 0.861 nan 8.370 nan 0.000 0.469 360 Q N -0.566 118.992 119.800 -0.403 0.000 2.234 360 Q HA -0.185 4.154 4.340 -0.003 0.000 0.206 360 Q C 1.272 176.850 176.000 -0.702 0.000 0.980 360 Q CA 1.109 56.548 55.803 -0.607 0.000 0.869 360 Q CB -0.725 27.504 28.738 -0.848 0.000 0.912 360 Q HN 0.431 nan 8.270 nan 0.000 0.436 361 W N 0.114 121.233 121.300 -0.302 0.000 3.345 361 W HA 0.434 5.088 4.660 -0.010 0.000 0.282 361 W C 1.801 178.234 176.519 -0.143 0.000 1.302 361 W CA -0.077 57.125 57.345 -0.237 0.000 1.724 361 W CB 0.388 29.677 29.460 -0.283 0.000 1.104 361 W HN 0.239 nan 8.180 nan 0.000 0.694 362 A N -0.018 122.804 122.820 0.003 0.000 2.206 362 A HA 0.094 4.413 4.320 -0.003 0.000 0.211 362 A C 0.877 178.461 177.584 0.000 0.000 1.158 362 A CA 0.316 52.355 52.037 0.004 0.000 0.761 362 A CB -0.529 18.453 19.000 -0.030 0.000 0.801 362 A HN -0.038 nan 8.150 nan 0.000 0.473 363 V N 1.957 121.861 119.914 -0.017 0.000 2.763 363 V HA 0.012 4.131 4.120 -0.003 0.000 0.306 363 V C 0.364 176.479 176.094 0.034 0.000 1.059 363 V CA -0.406 61.887 62.300 -0.012 0.000 1.138 363 V CB 0.494 32.286 31.823 -0.051 0.000 0.940 363 V HN 0.447 nan 8.190 nan 0.000 0.489 364 E N 5.553 125.767 120.200 0.023 0.000 2.384 364 E HA 0.190 4.538 4.350 -0.003 0.000 0.266 364 E C -2.172 174.452 176.600 0.040 0.000 1.012 364 E CA -1.466 54.952 56.400 0.031 0.000 0.901 364 E CB 0.440 30.151 29.700 0.019 0.000 0.967 364 E HN 0.493 nan 8.360 nan 0.000 0.435 365 P HA 0.117 nan 4.420 nan 0.000 0.281 365 P C -0.274 177.044 177.300 0.030 0.000 1.252 365 P CA -0.083 63.048 63.100 0.051 0.000 0.778 365 P CB 1.297 33.023 31.700 0.043 0.000 0.895 366 A N 3.276 126.114 122.820 0.029 0.000 1.984 366 A HA 0.169 4.487 4.320 -0.003 0.000 0.214 366 A C 1.070 178.662 177.584 0.014 0.000 1.173 366 A CA 1.390 53.438 52.037 0.018 0.000 0.673 366 A CB -0.491 18.518 19.000 0.016 0.000 0.830 366 A HN 0.665 nan 8.150 nan 0.000 0.453 367 T N -5.628 108.938 114.554 0.020 0.000 2.865 367 T HA 0.453 4.802 4.350 -0.003 0.000 0.294 367 T C 0.773 175.481 174.700 0.012 0.000 1.119 367 T CA 0.091 62.199 62.100 0.014 0.000 1.007 367 T CB 1.234 70.112 68.868 0.017 0.000 1.225 367 T HN 0.013 nan 8.240 nan 0.000 0.515 368 V N 1.165 121.081 119.914 0.004 0.000 2.392 368 V HA -0.157 3.962 4.120 -0.003 0.000 0.249 368 V C 2.396 178.491 176.094 0.001 0.000 1.059 368 V CA 2.207 64.506 62.300 -0.002 0.000 1.051 368 V CB -0.772 31.048 31.823 -0.006 0.000 0.658 368 V HN 0.891 nan 8.190 nan 0.000 0.455 369 D N -0.122 120.285 120.400 0.011 0.000 2.144 369 D HA -0.167 4.471 4.640 -0.003 0.000 0.199 369 D C 1.895 178.213 176.300 0.031 0.000 0.984 369 D CA 1.360 55.372 54.000 0.019 0.000 0.834 369 D CB -0.266 40.550 40.800 0.026 0.000 0.955 369 D HN 0.437 nan 8.370 nan 0.000 0.465 370 D N 0.200 120.629 120.400 0.047 0.000 2.123 370 D HA -0.112 4.527 4.640 -0.003 0.000 0.196 370 D C 2.314 178.628 176.300 0.024 0.000 0.992 370 D CA 0.459 54.512 54.000 0.088 0.000 0.833 370 D CB -0.219 40.640 40.800 0.098 0.000 0.954 370 D HN 0.090 nan 8.370 nan 0.000 0.455 371 V N 0.989 120.895 119.914 -0.013 0.000 2.343 371 V HA -0.203 3.916 4.120 -0.003 0.000 0.247 371 V C 2.649 178.674 176.094 -0.115 0.000 1.051 371 V CA 1.093 63.353 62.300 -0.068 0.000 1.036 371 V CB -0.476 31.323 31.823 -0.039 0.000 0.654 371 V HN 0.196 nan 8.190 nan 0.000 0.451 372 L N -0.162 121.020 121.223 -0.069 0.000 2.083 372 L HA -0.169 4.170 4.340 -0.003 0.000 0.209 372 L C 2.356 179.169 176.870 -0.094 0.000 1.083 372 L CA 1.428 56.228 54.840 -0.067 0.000 0.752 372 L CB -0.743 41.299 42.059 -0.028 0.000 0.899 372 L HN 0.339 nan 8.230 nan 0.000 0.433 373 D N 0.317 120.665 120.400 -0.087 0.000 2.117 373 D HA -0.140 4.498 4.640 -0.003 0.000 0.198 373 D C 2.272 178.313 176.300 -0.430 0.000 0.982 373 D CA 1.438 55.391 54.000 -0.079 0.000 0.828 373 D CB -0.093 40.781 40.800 0.124 0.000 0.967 373 D HN 0.287 nan 8.370 nan 0.000 0.464 374 A N 0.915 123.202 122.820 -0.888 0.000 1.883 374 A HA -0.275 4.043 4.320 -0.003 0.000 0.217 374 A C 2.136 179.327 177.584 -0.654 0.000 1.186 374 A CA 1.750 52.886 52.037 -1.503 0.000 0.624 374 A CB -0.734 17.633 19.000 -1.055 0.000 0.822 374 A HN 0.243 nan 8.150 nan 0.000 0.444 375 Q N -1.229 118.371 119.800 -0.334 0.000 2.119 375 Q HA -0.154 4.184 4.340 -0.003 0.000 0.201 375 Q C 2.377 178.327 176.000 -0.084 0.000 0.972 375 Q CA 1.492 57.202 55.803 -0.155 0.000 0.847 375 Q CB -0.169 28.506 28.738 -0.105 0.000 0.903 375 Q HN 0.670 nan 8.270 nan 0.000 0.433 376 R N -0.106 120.352 120.500 -0.070 0.000 2.083 376 R HA -0.206 4.133 4.340 -0.003 0.000 0.237 376 R C 1.900 178.230 176.300 0.051 0.000 1.137 376 R CA 1.796 57.894 56.100 -0.004 0.000 0.951 376 R CB -0.341 29.973 30.300 0.023 0.000 0.851 376 R HN 0.394 nan 8.270 nan 0.000 0.434 377 W N 0.559 121.793 121.300 -0.109 0.000 2.355 377 W HA -0.199 4.452 4.660 -0.016 0.000 0.309 377 W C 2.058 178.557 176.519 -0.034 0.000 1.206 377 W CA 2.104 59.445 57.345 -0.007 0.000 1.284 377 W CB -0.314 29.223 29.460 0.128 0.000 1.145 377 W HN 0.216 nan 8.180 nan 0.000 0.502 378 A N 0.545 123.510 122.820 0.243 0.000 1.902 378 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 378 A C 2.036 179.573 177.584 -0.078 0.000 1.181 378 A CA 1.693 53.801 52.037 0.119 0.000 0.623 378 A CB -0.781 18.293 19.000 0.123 0.000 0.818 378 A HN 0.369 nan 8.150 nan 0.000 0.443 379 R N -0.802 119.657 120.500 -0.068 0.000 2.073 379 R HA -0.126 4.213 4.340 -0.003 0.000 0.234 379 R C 2.281 178.508 176.300 -0.123 0.000 1.134 379 R CA 1.341 57.391 56.100 -0.083 0.000 0.952 379 R CB -0.294 29.971 30.300 -0.059 0.000 0.850 379 R HN 0.600 nan 8.270 nan 0.000 0.433 380 E N 0.871 120.977 120.200 -0.157 0.000 2.077 380 E HA -0.212 4.136 4.350 -0.003 0.000 0.193 380 E C 1.961 178.400 176.600 -0.269 0.000 0.989 380 E CA 1.209 57.495 56.400 -0.189 0.000 0.800 380 E CB 0.065 29.652 29.700 -0.189 0.000 0.746 380 E HN 0.023 nan 8.360 nan 0.000 0.452 381 R N 0.502 120.740 120.500 -0.437 0.000 2.073 381 R HA -0.055 4.283 4.340 -0.003 0.000 0.234 381 R C 2.244 178.395 176.300 -0.248 0.000 1.134 381 R CA 1.768 57.583 56.100 -0.475 0.000 0.952 381 R CB -0.734 29.055 30.300 -0.853 0.000 0.850 381 R HN 0.170 nan 8.270 nan 0.000 0.433 382 A N 0.130 122.839 122.820 -0.186 0.000 1.902 382 A HA -0.224 4.094 4.320 -0.003 0.000 0.217 382 A C 2.082 179.608 177.584 -0.096 0.000 1.181 382 A CA 1.642 53.610 52.037 -0.114 0.000 0.623 382 A CB -0.531 18.414 19.000 -0.091 0.000 0.818 382 A HN 0.516 nan 8.150 nan 0.000 0.443 383 Q N -0.839 118.899 119.800 -0.102 0.000 2.096 383 Q HA -0.165 4.173 4.340 -0.003 0.000 0.204 383 Q C 2.381 178.336 176.000 -0.074 0.000 0.982 383 Q CA 1.383 57.139 55.803 -0.078 0.000 0.850 383 Q CB -0.170 28.522 28.738 -0.076 0.000 0.901 383 Q HN 0.503 nan 8.270 nan 0.000 0.422 384 R N 0.059 120.502 120.500 -0.096 0.000 2.081 384 R HA -0.099 4.239 4.340 -0.003 0.000 0.235 384 R C 2.174 178.436 176.300 -0.064 0.000 1.131 384 R CA 1.276 57.327 56.100 -0.082 0.000 0.960 384 R CB -0.637 29.600 30.300 -0.105 0.000 0.856 384 R HN 0.258 nan 8.270 nan 0.000 0.436 385 A N 0.708 123.486 122.820 -0.070 0.000 1.902 385 A HA -0.098 4.220 4.320 -0.003 0.000 0.217 385 A C 2.448 180.008 177.584 -0.040 0.000 1.181 385 A CA 1.433 53.439 52.037 -0.051 0.000 0.623 385 A CB -0.462 18.505 19.000 -0.054 0.000 0.818 385 A HN 0.113 nan 8.150 nan 0.000 0.443 386 V N 0.723 120.612 119.914 -0.040 0.000 2.548 386 V HA -0.176 3.943 4.120 -0.003 0.000 0.249 386 V C 2.851 178.932 176.094 -0.022 0.000 1.055 386 V CA 2.240 64.524 62.300 -0.027 0.000 1.065 386 V CB -0.510 31.298 31.823 -0.024 0.000 0.681 386 V HN 0.805 nan 8.190 nan 0.000 0.462 387 S N -0.405 115.278 115.700 -0.028 0.000 2.470 387 S HA 0.263 4.731 4.470 -0.003 0.000 0.222 387 S C 1.572 176.159 174.600 -0.021 0.000 1.024 387 S CA 0.671 58.856 58.200 -0.024 0.000 0.931 387 S CB 0.552 63.735 63.200 -0.028 0.000 0.791 387 S HN 1.264 nan 8.310 nan 0.000 0.513 388 G N 1.538 110.323 108.800 -0.024 0.000 2.303 388 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.260 388 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.260 388 G C -0.248 174.640 174.900 -0.021 0.000 1.106 388 G CA 0.357 45.444 45.100 -0.021 0.000 0.900 388 G HN 0.478 nan 8.290 nan 0.000 0.495 389 M N 0.000 119.583 119.600 -0.028 0.000 2.572 389 M HA 0.000 4.478 4.480 -0.003 0.000 0.227 389 M CA 0.000 55.284 55.300 -0.027 0.000 0.988 389 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411