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 3etl_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADVLTELPGV GPSTADKLIE GGYLDFMKIA TATIGELTDI EGISEKAAAK DATA SEQUENCE MIMAARDLCD LGFKSGVELL KQRQSVWRLS TGSTELDTVL AGGIESQSVT DATA SEQUENCE EFAGMFGSGK TQIMHQTCVN LQMREKIFAD LEGVVEEELE APKAVYIDTE DATA SEQUENCE GTFRPERVVQ MAEGAGIDGQ TVLDNTFVAR AYNSDMQMLF AEKIEDLIKG DATA SEQUENCE GNNIKLVIID SLTSTFRNEF TGRGKLAERQ QKLGRHMATL NKLADLYNCI DATA SEQUENCE VLVTNQVAXX XXXXXXXXXX XXXXXXXGHA ATFRFFLRKS KGDKRVAKLY DATA SEQUENCE DSPHLPDSEA VFRITEKGIQ D 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.148 177.584 -0.726 0.000 1.274 2 A CA 0.000 51.815 52.037 -0.370 0.000 0.836 2 A CB 0.000 19.003 19.000 0.005 0.000 0.831 3 D N 1.512 121.692 120.400 -0.366 0.000 4.399 3 D HA -0.247 4.393 4.640 -0.000 0.000 0.192 3 D C 0.744 176.871 176.300 -0.288 0.000 1.389 3 D CA 2.355 56.190 54.000 -0.275 0.000 0.883 3 D CB -1.096 39.627 40.800 -0.130 0.000 0.872 3 D HN 0.652 nan 8.370 nan 0.000 0.589 4 V N 1.467 121.221 119.914 -0.267 0.000 2.157 4 V HA 0.006 4.126 4.120 -0.000 0.000 0.241 4 V C 1.261 177.351 176.094 -0.007 0.000 1.349 4 V CA -0.173 62.073 62.300 -0.090 0.000 1.319 4 V CB -0.092 31.749 31.823 0.030 0.000 1.421 4 V HN 0.063 nan 8.190 nan 0.000 0.501 5 L N 2.957 124.160 121.223 -0.034 0.000 2.265 5 L HA -0.091 4.248 4.340 -0.000 0.000 0.215 5 L C 2.485 179.473 176.870 0.197 0.000 1.117 5 L CA 1.612 56.540 54.840 0.146 0.000 0.782 5 L CB -1.172 40.930 42.059 0.071 0.000 0.914 5 L HN 0.571 nan 8.230 nan 0.000 0.441 6 T N -1.034 113.595 114.554 0.124 0.000 3.007 6 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 6 T C 1.625 176.389 174.700 0.106 0.000 1.107 6 T CA 0.821 62.977 62.100 0.095 0.000 1.118 6 T CB -0.066 68.838 68.868 0.060 0.000 0.889 6 T HN 0.459 nan 8.240 nan 0.000 0.506 7 E N 0.213 120.514 120.200 0.168 0.000 2.347 7 E HA 0.080 4.429 4.350 -0.000 0.000 0.196 7 E C 0.331 176.964 176.600 0.056 0.000 1.008 7 E CA 0.047 56.522 56.400 0.124 0.000 0.852 7 E CB 0.022 29.833 29.700 0.186 0.000 0.783 7 E HN 0.437 nan 8.360 nan 0.000 0.505 8 L N 4.309 125.591 121.223 0.098 0.000 2.638 8 L HA 0.055 4.394 4.340 -0.000 0.000 0.273 8 L C -1.981 174.889 176.870 -0.001 0.000 1.147 8 L CA -1.578 53.270 54.840 0.013 0.000 0.941 8 L CB 0.020 42.133 42.059 0.090 0.000 1.251 8 L HN -0.137 nan 8.230 nan 0.000 0.479 9 P HA -0.062 nan 4.420 nan 0.000 0.263 9 P C 0.812 178.103 177.300 -0.015 0.000 1.175 9 P CA 0.944 64.031 63.100 -0.022 0.000 0.761 9 P CB 0.839 32.518 31.700 -0.036 0.000 0.794 10 G N 1.448 110.244 108.800 -0.007 0.000 2.199 10 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.254 10 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.254 10 G C -0.118 174.783 174.900 0.001 0.000 0.982 10 G CA -0.005 45.092 45.100 -0.006 0.000 0.632 10 G HN 0.567 nan 8.290 nan 0.000 0.529 11 V N 1.619 121.539 119.914 0.011 0.000 2.328 11 V HA 0.731 4.851 4.120 -0.000 0.000 0.278 11 V C 1.071 177.181 176.094 0.027 0.000 1.021 11 V CA -0.055 62.258 62.300 0.021 0.000 0.838 11 V CB 1.028 32.875 31.823 0.040 0.000 0.999 11 V HN 0.682 nan 8.190 nan 0.000 0.447 12 G N 5.221 114.033 108.800 0.020 0.000 2.537 12 G HA2 0.481 4.441 3.960 -0.000 0.000 0.297 12 G HA3 0.481 4.441 3.960 -0.000 0.000 0.297 12 G C -1.175 173.739 174.900 0.023 0.000 1.310 12 G CA -0.924 44.188 45.100 0.020 0.000 1.027 12 G HN 0.514 nan 8.290 nan 0.000 0.505 13 P HA -0.138 nan 4.420 nan 0.000 0.217 13 P C 2.023 179.334 177.300 0.018 0.000 1.150 13 P CA 2.061 65.173 63.100 0.020 0.000 0.832 13 P CB 0.062 31.772 31.700 0.017 0.000 0.787 14 S N -0.063 115.646 115.700 0.015 0.000 2.344 14 S HA -0.151 4.318 4.470 -0.000 0.000 0.217 14 S C 2.112 176.721 174.600 0.015 0.000 1.033 14 S CA 2.113 60.321 58.200 0.014 0.000 1.017 14 S CB -2.193 61.013 63.200 0.011 0.000 0.941 14 S HN 0.107 nan 8.310 nan 0.000 0.430 15 T N 3.345 117.907 114.554 0.014 0.000 2.620 15 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 15 T C 2.190 176.902 174.700 0.020 0.000 1.044 15 T CA 1.955 64.062 62.100 0.012 0.000 1.161 15 T CB -1.229 67.644 68.868 0.008 0.000 0.862 15 T HN 0.685 nan 8.240 nan 0.000 0.438 16 A N 2.072 124.908 122.820 0.026 0.000 1.948 16 A HA -0.236 4.083 4.320 -0.000 0.000 0.220 16 A C 2.129 179.734 177.584 0.035 0.000 1.177 16 A CA 2.037 54.096 52.037 0.036 0.000 0.636 16 A CB -0.743 18.279 19.000 0.038 0.000 0.815 16 A HN 0.459 nan 8.150 nan 0.000 0.449 17 D N -0.100 120.317 120.400 0.028 0.000 2.097 17 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 17 D C 1.881 178.201 176.300 0.033 0.000 0.989 17 D CA 1.661 55.677 54.000 0.026 0.000 0.827 17 D CB -0.367 40.445 40.800 0.020 0.000 0.966 17 D HN 0.543 nan 8.370 nan 0.000 0.456 18 K N 0.384 120.803 120.400 0.032 0.000 2.152 18 K HA -0.095 4.224 4.320 -0.000 0.000 0.206 18 K C 2.311 178.948 176.600 0.061 0.000 1.048 18 K CA 0.568 56.877 56.287 0.037 0.000 0.933 18 K CB -0.060 32.455 32.500 0.026 0.000 0.721 18 K HN 0.144 nan 8.250 nan 0.000 0.447 19 L N 0.525 121.788 121.223 0.067 0.000 1.993 19 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 19 L C 2.364 179.329 176.870 0.158 0.000 1.074 19 L CA 0.905 55.817 54.840 0.119 0.000 0.746 19 L CB -0.666 41.447 42.059 0.090 0.000 0.896 19 L HN 0.180 nan 8.230 nan 0.000 0.435 20 I N -1.305 119.324 120.570 0.098 0.000 2.300 20 I HA -0.295 3.875 4.170 -0.000 0.000 0.252 20 I C 2.023 178.172 176.117 0.054 0.000 1.119 20 I CA 1.631 62.972 61.300 0.068 0.000 1.384 20 I CB -0.820 37.200 38.000 0.032 0.000 1.062 20 I HN 0.280 nan 8.210 nan 0.000 0.426 21 E N 1.436 121.670 120.200 0.057 0.000 2.028 21 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 21 E C 2.338 178.971 176.600 0.054 0.000 0.984 21 E CA 1.041 57.467 56.400 0.043 0.000 0.800 21 E CB -0.609 29.115 29.700 0.040 0.000 0.758 21 E HN 0.671 nan 8.360 nan 0.000 0.448 22 G N -0.283 108.580 108.800 0.105 0.000 2.653 22 G HA2 0.017 3.977 3.960 -0.000 0.000 0.212 22 G HA3 0.017 3.977 3.960 -0.000 0.000 0.212 22 G C 1.028 175.972 174.900 0.074 0.000 1.138 22 G CA 0.563 45.750 45.100 0.144 0.000 0.782 22 G HN 0.455 nan 8.290 nan 0.000 0.535 23 G N -1.719 107.078 108.800 -0.004 0.000 2.195 23 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.224 23 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.224 23 G C 0.083 174.805 174.900 -0.297 0.000 0.990 23 G CA -0.025 44.970 45.100 -0.176 0.000 0.639 23 G HN 0.410 nan 8.290 nan 0.000 0.514 24 Y N 0.794 121.110 120.300 0.028 0.000 2.404 24 Y HA 0.641 5.191 4.550 -0.000 0.000 0.344 24 Y C 1.460 177.365 175.900 0.009 0.000 0.970 24 Y CA -0.440 57.677 58.100 0.029 0.000 1.180 24 Y CB 0.827 39.306 38.460 0.032 0.000 1.138 24 Y HN 0.097 nan 8.280 nan 0.000 0.510 25 L N 0.299 121.568 121.223 0.077 0.000 2.993 25 L HA 0.383 4.723 4.340 -0.000 0.000 0.264 25 L C -0.204 176.632 176.870 -0.056 0.000 1.154 25 L CA -0.086 54.760 54.840 0.009 0.000 0.972 25 L CB 0.694 42.750 42.059 -0.005 0.000 1.373 25 L HN 0.391 nan 8.230 nan 0.000 0.564 26 D N -0.973 119.426 120.400 -0.002 0.000 2.269 26 D HA 0.367 5.007 4.640 -0.000 0.000 0.244 26 D C 0.682 176.999 176.300 0.028 0.000 0.992 26 D CA -0.521 53.448 54.000 -0.051 0.000 0.894 26 D CB 1.591 42.413 40.800 0.037 0.000 1.248 26 D HN -0.060 nan 8.370 nan 0.000 0.468 27 F N 0.851 120.834 119.950 0.055 0.000 2.113 27 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 27 F C 2.294 178.114 175.800 0.033 0.000 1.103 27 F CA 0.223 58.248 58.000 0.041 0.000 1.248 27 F CB -0.068 38.946 39.000 0.023 0.000 0.999 27 F HN 0.357 nan 8.300 nan 0.000 0.475 28 M N 0.546 120.274 119.600 0.212 0.000 2.144 28 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 28 M C 2.084 178.427 176.300 0.072 0.000 1.067 28 M CA 1.667 57.023 55.300 0.094 0.000 1.095 28 M CB -1.009 31.603 32.600 0.021 0.000 1.365 28 M HN 0.076 nan 8.290 nan 0.000 0.406 29 K N -0.014 120.439 120.400 0.089 0.000 2.211 29 K HA -0.043 4.276 4.320 -0.000 0.000 0.203 29 K C 1.782 178.549 176.600 0.278 0.000 1.050 29 K CA 0.800 57.163 56.287 0.128 0.000 0.945 29 K CB 0.089 32.642 32.500 0.089 0.000 0.732 29 K HN 0.285 nan 8.250 nan 0.000 0.451 30 I N 0.198 120.923 120.570 0.258 0.000 2.400 30 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 30 I C 2.285 178.444 176.117 0.070 0.000 1.109 30 I CA 0.719 62.107 61.300 0.147 0.000 1.425 30 I CB -0.196 37.874 38.000 0.116 0.000 1.094 30 I HN 0.181 nan 8.210 nan 0.000 0.425 31 A N 0.679 123.545 122.820 0.077 0.000 1.933 31 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 31 A C 2.185 179.779 177.584 0.015 0.000 1.175 31 A CA 2.323 54.376 52.037 0.027 0.000 0.628 31 A CB -1.020 17.993 19.000 0.022 0.000 0.814 31 A HN 0.506 nan 8.150 nan 0.000 0.444 32 T N -3.024 111.550 114.554 0.034 0.000 3.163 32 T HA 0.628 4.978 4.350 -0.000 0.000 0.252 32 T C 0.536 175.261 174.700 0.043 0.000 1.056 32 T CA 0.330 62.443 62.100 0.021 0.000 0.947 32 T CB -0.239 68.633 68.868 0.006 0.000 1.016 32 T HN 0.553 nan 8.240 nan 0.000 0.554 33 A N 1.957 124.816 122.820 0.065 0.000 2.257 33 A HA 0.701 5.021 4.320 -0.000 0.000 0.289 33 A C 0.707 178.309 177.584 0.030 0.000 1.095 33 A CA -0.566 51.522 52.037 0.084 0.000 0.836 33 A CB 0.477 19.551 19.000 0.123 0.000 1.111 33 A HN 0.567 nan 8.150 nan 0.000 0.497 34 T N -1.586 112.988 114.554 0.032 0.000 2.945 34 T HA 0.527 4.876 4.350 -0.000 0.000 0.286 34 T C 1.099 175.796 174.700 -0.005 0.000 1.025 34 T CA -0.548 61.558 62.100 0.010 0.000 1.039 34 T CB 0.724 69.602 68.868 0.017 0.000 1.068 34 T HN 0.370 nan 8.240 nan 0.000 0.497 35 I N 1.023 121.585 120.570 -0.013 0.000 2.335 35 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 35 I C 2.692 178.801 176.117 -0.014 0.000 1.129 35 I CA 1.614 62.901 61.300 -0.022 0.000 1.402 35 I CB -0.859 37.130 38.000 -0.018 0.000 1.069 35 I HN 0.951 nan 8.210 nan 0.000 0.424 36 G N 1.665 110.467 108.800 0.002 0.000 2.484 36 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 36 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 36 G C 1.403 176.318 174.900 0.025 0.000 1.219 36 G CA 0.852 45.959 45.100 0.012 0.000 0.791 36 G HN 0.617 nan 8.290 nan 0.000 0.550 37 E N -0.007 120.221 120.200 0.046 0.000 2.396 37 E HA -0.055 4.295 4.350 -0.000 0.000 0.200 37 E C 2.193 178.847 176.600 0.090 0.000 1.023 37 E CA 0.576 57.031 56.400 0.092 0.000 0.857 37 E CB -0.130 29.654 29.700 0.139 0.000 0.775 37 E HN 0.400 nan 8.360 nan 0.000 0.525 38 L N 1.404 122.621 121.223 -0.010 0.000 2.221 38 L HA -0.018 4.321 4.340 -0.000 0.000 0.202 38 L C 2.478 179.308 176.870 -0.066 0.000 1.074 38 L CA 1.769 56.534 54.840 -0.125 0.000 0.795 38 L CB -0.189 41.749 42.059 -0.201 0.000 0.960 38 L HN 0.255 nan 8.230 nan 0.000 0.458 39 T N -4.313 110.220 114.554 -0.034 0.000 3.051 39 T HA -0.112 4.237 4.350 -0.000 0.000 0.269 39 T C 1.233 175.934 174.700 0.001 0.000 1.127 39 T CA 0.842 62.931 62.100 -0.019 0.000 1.107 39 T CB -0.474 68.386 68.868 -0.013 0.000 0.898 39 T HN 0.190 nan 8.240 nan 0.000 0.517 40 D N 1.000 121.410 120.400 0.017 0.000 2.378 40 D HA 0.197 4.836 4.640 -0.000 0.000 0.227 40 D C 0.544 176.867 176.300 0.038 0.000 1.012 40 D CA 0.279 54.298 54.000 0.032 0.000 0.905 40 D CB 0.020 40.849 40.800 0.048 0.000 0.895 40 D HN 0.532 nan 8.370 nan 0.000 0.532 41 I N 0.358 120.946 120.570 0.031 0.000 2.664 41 I HA 0.035 4.204 4.170 -0.000 0.000 0.308 41 I C 1.814 177.944 176.117 0.020 0.000 0.984 41 I CA -0.783 60.539 61.300 0.036 0.000 1.213 41 I CB 1.777 39.801 38.000 0.040 0.000 1.379 41 I HN -0.156 nan 8.210 nan 0.000 0.501 42 E N 3.434 123.648 120.200 0.023 0.000 2.295 42 E HA -0.282 4.068 4.350 -0.000 0.000 0.240 42 E C 0.853 177.459 176.600 0.009 0.000 0.917 42 E CA 2.021 58.431 56.400 0.016 0.000 0.956 42 E CB -0.216 29.494 29.700 0.017 0.000 0.956 42 E HN 0.861 nan 8.360 nan 0.000 0.549 43 G N 0.679 109.483 108.800 0.006 0.000 4.477 43 G HA2 0.491 4.451 3.960 -0.000 0.000 0.319 43 G HA3 0.491 4.451 3.960 -0.000 0.000 0.319 43 G C -0.520 174.377 174.900 -0.004 0.000 1.391 43 G CA -0.428 44.673 45.100 0.001 0.000 1.261 43 G HN 0.234 nan 8.290 nan 0.000 0.556 44 I N 2.378 122.943 120.570 -0.009 0.000 2.420 44 I HA 0.202 4.372 4.170 -0.000 0.000 0.282 44 I C 0.668 176.773 176.117 -0.019 0.000 1.019 44 I CA -0.654 60.634 61.300 -0.020 0.000 1.130 44 I CB 1.758 39.737 38.000 -0.035 0.000 1.262 44 I HN 0.377 nan 8.210 nan 0.000 0.454 45 S N 3.874 119.564 115.700 -0.017 0.000 2.626 45 S HA 0.249 4.718 4.470 -0.000 0.000 0.257 45 S C 0.888 175.476 174.600 -0.020 0.000 1.288 45 S CA -0.459 57.732 58.200 -0.015 0.000 0.980 45 S CB 1.180 64.373 63.200 -0.012 0.000 0.975 45 S HN 0.629 nan 8.310 nan 0.000 0.577 46 E N 0.963 121.153 120.200 -0.017 0.000 2.107 46 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 46 E C 2.104 178.691 176.600 -0.021 0.000 0.982 46 E CA 1.230 57.619 56.400 -0.019 0.000 0.809 46 E CB -0.212 29.480 29.700 -0.014 0.000 0.756 46 E HN 0.826 nan 8.360 nan 0.000 0.459 47 K N 1.047 121.437 120.400 -0.017 0.000 2.057 47 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 47 K C 2.225 178.812 176.600 -0.022 0.000 1.049 47 K CA 1.414 57.690 56.287 -0.018 0.000 0.931 47 K CB -0.240 32.252 32.500 -0.014 0.000 0.714 47 K HN 0.019 nan 8.250 nan 0.000 0.440 48 A N 1.608 124.415 122.820 -0.023 0.000 1.929 48 A HA 0.094 4.413 4.320 -0.000 0.000 0.216 48 A C 2.469 180.031 177.584 -0.037 0.000 1.176 48 A CA 1.414 53.435 52.037 -0.026 0.000 0.628 48 A CB -0.656 18.330 19.000 -0.023 0.000 0.816 48 A HN 0.487 nan 8.150 nan 0.000 0.444 49 A N 0.038 122.833 122.820 -0.043 0.000 1.855 49 A HA 0.207 4.527 4.320 -0.000 0.000 0.215 49 A C 2.523 180.074 177.584 -0.054 0.000 1.191 49 A CA 1.985 53.986 52.037 -0.060 0.000 0.613 49 A CB -1.115 17.850 19.000 -0.058 0.000 0.829 49 A HN 1.023 nan 8.150 nan 0.000 0.442 50 A N -0.289 122.507 122.820 -0.039 0.000 1.933 50 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 50 A C 2.140 179.703 177.584 -0.035 0.000 1.175 50 A CA 2.099 54.116 52.037 -0.034 0.000 0.628 50 A CB -0.455 18.529 19.000 -0.026 0.000 0.814 50 A HN 0.574 nan 8.150 nan 0.000 0.444 51 K N -0.140 120.241 120.400 -0.033 0.000 2.001 51 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 51 K C 2.279 178.857 176.600 -0.037 0.000 1.048 51 K CA 1.878 58.146 56.287 -0.032 0.000 0.932 51 K CB -0.338 32.146 32.500 -0.027 0.000 0.715 51 K HN 0.661 nan 8.250 nan 0.000 0.437 52 M N -0.313 119.264 119.600 -0.039 0.000 2.159 52 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 52 M C 1.939 178.214 176.300 -0.042 0.000 1.063 52 M CA 1.616 56.893 55.300 -0.038 0.000 1.110 52 M CB -0.577 32.002 32.600 -0.035 0.000 1.374 52 M HN 0.052 nan 8.290 nan 0.000 0.411 53 I N 0.672 121.213 120.570 -0.048 0.000 2.163 53 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 53 I C 2.901 178.993 176.117 -0.042 0.000 1.085 53 I CA 1.819 63.093 61.300 -0.043 0.000 1.347 53 I CB -0.321 37.651 38.000 -0.045 0.000 1.044 53 I HN 0.458 nan 8.210 nan 0.000 0.408 54 M N -0.073 119.501 119.600 -0.043 0.000 2.296 54 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 54 M C 2.221 178.488 176.300 -0.056 0.000 1.064 54 M CA 1.620 56.892 55.300 -0.046 0.000 1.109 54 M CB -0.044 32.532 32.600 -0.040 0.000 1.396 54 M HN 0.299 nan 8.290 nan 0.000 0.430 55 A N -0.324 122.460 122.820 -0.060 0.000 1.970 55 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 55 A C 2.192 179.707 177.584 -0.115 0.000 1.170 55 A CA 1.289 53.278 52.037 -0.080 0.000 0.645 55 A CB -0.708 18.248 19.000 -0.073 0.000 0.816 55 A HN 0.541 nan 8.150 nan 0.000 0.447 56 A N 0.264 123.027 122.820 -0.094 0.000 1.930 56 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 56 A C 2.193 179.719 177.584 -0.096 0.000 1.175 56 A CA 1.386 53.359 52.037 -0.107 0.000 0.627 56 A CB -0.426 18.570 19.000 -0.006 0.000 0.815 56 A HN 0.539 nan 8.150 nan 0.000 0.443 57 R N -0.336 120.121 120.500 -0.071 0.000 2.120 57 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 57 R C 1.634 177.886 176.300 -0.080 0.000 1.123 57 R CA 1.324 57.384 56.100 -0.067 0.000 0.975 57 R CB -0.337 29.924 30.300 -0.066 0.000 0.866 57 R HN 0.531 nan 8.270 nan 0.000 0.446 58 D N 0.554 120.900 120.400 -0.091 0.000 2.084 58 D HA -0.121 4.519 4.640 -0.000 0.000 0.196 58 D C 1.901 178.136 176.300 -0.109 0.000 0.985 58 D CA 1.058 55.004 54.000 -0.090 0.000 0.826 58 D CB 0.085 40.833 40.800 -0.087 0.000 0.978 58 D HN 0.003 nan 8.370 nan 0.000 0.456 59 L N 0.762 121.885 121.223 -0.168 0.000 2.013 59 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 59 L C 2.578 179.364 176.870 -0.139 0.000 1.073 59 L CA 1.360 56.066 54.840 -0.223 0.000 0.753 59 L CB -0.606 41.167 42.059 -0.477 0.000 0.890 59 L HN 0.176 nan 8.230 nan 0.000 0.432 60 C N -1.238 118.000 119.300 -0.103 0.000 2.562 60 C HA 0.093 4.553 4.460 -0.000 0.000 0.266 60 C C 1.087 176.055 174.990 -0.036 0.000 1.382 60 C CA -0.116 58.879 59.018 -0.039 0.000 1.742 60 C CB -1.214 26.519 27.740 -0.011 0.000 1.812 60 C HN 0.714 nan 8.230 nan 0.000 0.559 61 D N -0.110 120.259 120.400 -0.051 0.000 2.716 61 D HA -0.172 4.468 4.640 -0.000 0.000 0.239 61 D C -0.272 175.999 176.300 -0.049 0.000 1.125 61 D CA 0.289 54.263 54.000 -0.043 0.000 0.681 61 D CB -1.222 39.562 40.800 -0.026 0.000 1.070 61 D HN 0.521 nan 8.370 nan 0.000 0.432 62 L N 0.403 121.587 121.223 -0.065 0.000 2.384 62 L HA 0.508 4.848 4.340 -0.000 0.000 0.258 62 L C 1.614 178.403 176.870 -0.135 0.000 1.266 62 L CA 0.257 55.047 54.840 -0.084 0.000 1.162 62 L CB 0.027 42.039 42.059 -0.079 0.000 1.375 62 L HN 0.313 nan 8.230 nan 0.000 0.420 63 G N 0.492 109.211 108.800 -0.136 0.000 3.247 63 G HA2 0.526 4.486 3.960 -0.000 0.000 0.199 63 G HA3 0.526 4.486 3.960 -0.000 0.000 0.199 63 G C -0.991 173.767 174.900 -0.237 0.000 1.172 63 G CA -0.629 44.336 45.100 -0.224 0.000 0.844 63 G HN 0.073 nan 8.290 nan 0.000 0.619 64 F N 1.312 121.254 119.950 -0.013 0.000 2.396 64 F HA 0.496 5.023 4.527 -0.000 0.000 0.343 64 F C 0.697 176.491 175.800 -0.011 0.000 1.104 64 F CA -0.344 57.649 58.000 -0.012 0.000 1.161 64 F CB 1.591 40.584 39.000 -0.012 0.000 1.146 64 F HN -0.210 nan 8.300 nan 0.000 0.522 65 K N 1.973 122.487 120.400 0.190 0.000 2.328 65 K HA 0.707 5.027 4.320 -0.000 0.000 0.246 65 K C -0.814 175.834 176.600 0.080 0.000 0.955 65 K CA -0.694 55.652 56.287 0.098 0.000 0.817 65 K CB 2.133 34.666 32.500 0.056 0.000 1.208 65 K HN 0.731 nan 8.250 nan 0.000 0.432 66 S N -1.432 114.296 115.700 0.047 0.000 2.656 66 S HA 0.745 5.214 4.470 -0.000 0.000 0.273 66 S C 0.438 175.047 174.600 0.016 0.000 1.168 66 S CA -0.177 58.039 58.200 0.026 0.000 0.817 66 S CB 1.461 64.669 63.200 0.013 0.000 1.146 66 S HN 0.894 nan 8.310 nan 0.000 0.475 67 G N 0.688 109.493 108.800 0.008 0.000 2.634 67 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.309 67 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.309 67 G C 0.887 175.792 174.900 0.009 0.000 1.265 67 G CA 0.568 45.671 45.100 0.006 0.000 0.998 67 G HN 1.611 nan 8.290 nan 0.000 0.551 68 V N 1.459 121.379 119.914 0.009 0.000 2.568 68 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 68 V C 2.667 178.768 176.094 0.013 0.000 1.072 68 V CA 3.142 65.448 62.300 0.011 0.000 1.084 68 V CB -0.754 31.076 31.823 0.011 0.000 0.676 68 V HN 0.715 nan 8.190 nan 0.000 0.469 69 E N 0.119 120.328 120.200 0.015 0.000 2.265 69 E HA -0.167 4.183 4.350 -0.000 0.000 0.196 69 E C 2.064 178.674 176.600 0.016 0.000 0.996 69 E CA 0.963 57.373 56.400 0.018 0.000 0.832 69 E CB -0.208 29.505 29.700 0.022 0.000 0.756 69 E HN 0.554 nan 8.360 nan 0.000 0.491 70 L N 0.294 121.526 121.223 0.014 0.000 2.217 70 L HA -0.094 4.245 4.340 -0.000 0.000 0.211 70 L C 2.126 178.998 176.870 0.004 0.000 1.107 70 L CA 0.654 55.499 54.840 0.009 0.000 0.783 70 L CB -0.230 41.833 42.059 0.006 0.000 0.919 70 L HN 0.165 nan 8.230 nan 0.000 0.442 71 L N -0.756 120.471 121.223 0.007 0.000 2.341 71 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 71 L C 2.476 179.354 176.870 0.014 0.000 1.115 71 L CA 0.321 55.166 54.840 0.008 0.000 0.820 71 L CB -0.291 41.774 42.059 0.011 0.000 0.944 71 L HN 0.150 nan 8.230 nan 0.000 0.452 72 K N 0.315 120.725 120.400 0.016 0.000 2.031 72 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 72 K C 2.031 178.644 176.600 0.023 0.000 1.049 72 K CA 1.131 57.431 56.287 0.021 0.000 0.939 72 K CB -0.372 32.141 32.500 0.021 0.000 0.717 72 K HN 0.164 nan 8.250 nan 0.000 0.438 73 Q N 1.738 121.548 119.800 0.017 0.000 2.181 73 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 73 Q C 1.998 178.008 176.000 0.015 0.000 0.980 73 Q CA 1.702 57.514 55.803 0.015 0.000 0.862 73 Q CB -0.152 28.590 28.738 0.006 0.000 0.905 73 Q HN 0.058 nan 8.270 nan 0.000 0.429 74 R N 0.032 120.537 120.500 0.009 0.000 2.189 74 R HA 0.049 4.388 4.340 -0.000 0.000 0.218 74 R C 1.703 178.020 176.300 0.028 0.000 1.074 74 R CA 1.460 57.563 56.100 0.004 0.000 0.991 74 R CB -0.048 30.244 30.300 -0.012 0.000 0.883 74 R HN 0.516 nan 8.270 nan 0.000 0.457 75 Q N -0.713 119.111 119.800 0.039 0.000 2.472 75 Q HA -0.013 4.327 4.340 -0.000 0.000 0.208 75 Q C 1.317 177.367 176.000 0.083 0.000 0.958 75 Q CA 1.119 56.957 55.803 0.059 0.000 0.932 75 Q CB 0.330 29.099 28.738 0.052 0.000 1.007 75 Q HN 0.399 nan 8.270 nan 0.000 0.508 76 S N -1.025 114.722 115.700 0.078 0.000 2.527 76 S HA 0.048 4.518 4.470 -0.000 0.000 0.222 76 S C 0.836 175.528 174.600 0.152 0.000 0.985 76 S CA -0.337 57.928 58.200 0.109 0.000 0.921 76 S CB 0.141 63.391 63.200 0.083 0.000 0.772 76 S HN 0.006 nan 8.310 nan 0.000 0.529 77 V N 5.100 125.075 119.914 0.102 0.000 2.427 77 V HA 0.263 4.383 4.120 -0.000 0.000 0.268 77 V C 0.299 176.469 176.094 0.127 0.000 1.046 77 V CA -0.866 61.467 62.300 0.055 0.000 0.970 77 V CB -0.323 31.501 31.823 0.001 0.000 1.001 77 V HN 0.616 nan 8.190 nan 0.000 0.476 78 W N 5.513 126.839 121.300 0.043 0.000 2.509 78 W HA 0.794 5.455 4.660 0.001 0.000 0.351 78 W C -0.615 175.938 176.519 0.057 0.000 1.107 78 W CA -1.298 56.078 57.345 0.052 0.000 1.264 78 W CB 0.958 30.438 29.460 0.033 0.000 1.312 78 W HN 0.374 nan 8.180 nan 0.000 0.608 79 R N 1.387 122.076 120.500 0.316 0.000 2.803 79 R HA 0.694 5.034 4.340 -0.000 0.000 0.276 79 R C -1.387 175.103 176.300 0.316 0.000 0.978 79 R CA -1.268 54.929 56.100 0.161 0.000 0.939 79 R CB 2.404 32.818 30.300 0.190 0.000 1.179 79 R HN 0.416 nan 8.270 nan 0.000 0.472 80 L N 0.587 121.906 121.223 0.161 0.000 2.362 80 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 80 L C -0.353 176.611 176.870 0.157 0.000 0.998 80 L CA -0.120 54.816 54.840 0.161 0.000 0.820 80 L CB 2.105 44.258 42.059 0.157 0.000 1.270 80 L HN 0.631 nan 8.230 nan 0.000 0.415 81 S N 1.313 117.117 115.700 0.173 0.000 2.564 81 S HA 0.186 4.655 4.470 -0.000 0.000 0.278 81 S C 1.207 175.845 174.600 0.062 0.000 1.333 81 S CA 0.250 58.583 58.200 0.222 0.000 1.048 81 S CB 0.653 64.032 63.200 0.300 0.000 0.900 81 S HN 0.857 nan 8.310 nan 0.000 0.505 82 T N 1.418 115.978 114.554 0.010 0.000 3.081 82 T HA 0.360 4.710 4.350 -0.000 0.000 0.250 82 T C 1.459 176.090 174.700 -0.116 0.000 1.100 82 T CA 0.665 62.705 62.100 -0.101 0.000 1.038 82 T CB -0.231 68.523 68.868 -0.189 0.000 0.962 82 T HN 1.542 nan 8.240 nan 0.000 0.516 83 G N 0.692 109.468 108.800 -0.040 0.000 2.234 83 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.235 83 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.235 83 G C 0.212 175.096 174.900 -0.026 0.000 0.997 83 G CA 0.141 45.222 45.100 -0.031 0.000 0.623 83 G HN 0.977 nan 8.290 nan 0.000 0.514 84 S N -0.007 115.658 115.700 -0.057 0.000 2.451 84 S HA 0.640 5.110 4.470 -0.000 0.000 0.301 84 S C 1.528 176.142 174.600 0.024 0.000 1.116 84 S CA 0.854 59.048 58.200 -0.011 0.000 1.093 84 S CB 1.466 64.640 63.200 -0.043 0.000 1.017 84 S HN 0.313 nan 8.310 nan 0.000 0.482 85 T N 4.247 118.828 114.554 0.045 0.000 2.737 85 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 85 T C 1.494 176.222 174.700 0.046 0.000 1.038 85 T CA 1.577 63.700 62.100 0.039 0.000 1.144 85 T CB -0.302 68.589 68.868 0.038 0.000 0.866 85 T HN 0.770 nan 8.240 nan 0.000 0.434 86 E N 0.430 120.673 120.200 0.072 0.000 2.110 86 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 86 E C 2.099 178.762 176.600 0.105 0.000 0.988 86 E CA 0.734 57.188 56.400 0.089 0.000 0.804 86 E CB -0.190 29.580 29.700 0.116 0.000 0.745 86 E HN 0.204 nan 8.360 nan 0.000 0.458 87 L N 1.402 122.686 121.223 0.102 0.000 2.109 87 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 87 L C 1.368 178.284 176.870 0.077 0.000 1.086 87 L CA 1.812 56.709 54.840 0.094 0.000 0.760 87 L CB -0.155 41.894 42.059 -0.016 0.000 0.910 87 L HN -0.065 nan 8.230 nan 0.000 0.437 88 D N -1.351 119.075 120.400 0.044 0.000 2.183 88 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 88 D C 2.053 178.365 176.300 0.020 0.000 0.969 88 D CA 1.519 55.537 54.000 0.031 0.000 0.842 88 D CB -0.157 40.654 40.800 0.018 0.000 0.957 88 D HN 0.309 nan 8.370 nan 0.000 0.484 89 T N 0.279 114.849 114.554 0.025 0.000 2.821 89 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 89 T C 2.148 176.872 174.700 0.040 0.000 1.046 89 T CA 0.469 62.580 62.100 0.018 0.000 1.139 89 T CB -0.129 68.752 68.868 0.021 0.000 0.871 89 T HN -0.024 nan 8.240 nan 0.000 0.454 90 V N 1.212 121.175 119.914 0.081 0.000 2.626 90 V HA -0.001 4.119 4.120 -0.000 0.000 0.252 90 V C 1.991 178.146 176.094 0.103 0.000 1.067 90 V CA 1.317 63.682 62.300 0.108 0.000 1.081 90 V CB -0.434 31.508 31.823 0.199 0.000 0.686 90 V HN 0.455 nan 8.190 nan 0.000 0.468 91 L N 0.067 121.352 121.223 0.103 0.000 2.607 91 L HA 0.424 4.764 4.340 -0.000 0.000 0.228 91 L C 1.254 178.134 176.870 0.015 0.000 1.123 91 L CA 0.494 55.371 54.840 0.061 0.000 0.890 91 L CB -0.312 41.771 42.059 0.040 0.000 1.103 91 L HN 0.307 nan 8.230 nan 0.000 0.468 92 A N 0.383 123.212 122.820 0.015 0.000 2.687 92 A HA -0.080 4.240 4.320 -0.000 0.000 0.299 92 A C 1.259 178.838 177.584 -0.008 0.000 1.497 92 A CA 0.916 52.957 52.037 0.006 0.000 0.751 92 A CB -1.765 17.252 19.000 0.028 0.000 1.048 92 A HN 0.802 nan 8.150 nan 0.000 0.464 93 G N -2.956 105.821 108.800 -0.039 0.000 3.330 93 G HA2 0.573 4.532 3.960 -0.000 0.000 0.197 93 G HA3 0.573 4.532 3.960 -0.000 0.000 0.197 93 G C 0.754 175.662 174.900 0.013 0.000 1.284 93 G CA 1.148 46.201 45.100 -0.079 0.000 0.921 93 G HN 2.980 nan 8.290 nan 0.000 0.466 94 G N -0.622 108.202 108.800 0.041 0.000 2.351 94 G HA2 0.460 4.420 3.960 -0.000 0.000 0.279 94 G HA3 0.460 4.420 3.960 -0.000 0.000 0.279 94 G C -1.074 173.800 174.900 -0.043 0.000 1.297 94 G CA -0.302 44.838 45.100 0.067 0.000 0.886 94 G HN 0.882 nan 8.290 nan 0.000 0.493 95 I N 1.552 122.085 120.570 -0.061 0.000 2.556 95 I HA 0.200 4.370 4.170 -0.000 0.000 0.284 95 I C 0.641 176.589 176.117 -0.281 0.000 1.114 95 I CA 0.122 61.310 61.300 -0.185 0.000 1.418 95 I CB 0.771 38.709 38.000 -0.103 0.000 1.394 95 I HN 0.361 nan 8.210 nan 0.000 0.552 96 E N 4.615 124.577 120.200 -0.397 0.000 2.313 96 E HA 0.234 4.583 4.350 -0.000 0.000 0.272 96 E C -0.187 176.147 176.600 -0.443 0.000 1.038 96 E CA -0.512 55.666 56.400 -0.370 0.000 0.863 96 E CB 1.261 30.805 29.700 -0.260 0.000 1.060 96 E HN 0.701 nan 8.360 nan 0.000 0.402 97 S N 2.041 117.369 115.700 -0.620 0.000 2.632 97 S HA 0.103 4.573 4.470 -0.000 0.000 0.267 97 S C 0.280 174.719 174.600 -0.268 0.000 1.276 97 S CA -0.588 57.221 58.200 -0.652 0.000 0.998 97 S CB 1.135 63.654 63.200 -1.136 0.000 0.953 97 S HN 0.709 nan 8.310 nan 0.000 0.547 98 Q N -1.012 118.700 119.800 -0.147 0.000 2.489 98 Q HA -0.137 4.203 4.340 -0.000 0.000 0.259 98 Q C -0.602 175.379 176.000 -0.032 0.000 0.934 98 Q CA 0.961 56.730 55.803 -0.057 0.000 1.131 98 Q CB -2.137 26.577 28.738 -0.039 0.000 1.472 98 Q HN 0.704 nan 8.270 nan 0.000 0.560 99 S N -1.044 114.634 115.700 -0.036 0.000 2.596 99 S HA 0.623 5.093 4.470 -0.000 0.000 0.270 99 S C -0.844 173.765 174.600 0.016 0.000 1.155 99 S CA -0.665 57.551 58.200 0.027 0.000 0.827 99 S CB 2.521 65.812 63.200 0.151 0.000 1.130 99 S HN 0.069 nan 8.310 nan 0.000 0.467 100 V N 2.318 122.258 119.914 0.043 0.000 2.370 100 V HA 0.661 4.780 4.120 -0.000 0.000 0.283 100 V C 0.188 176.324 176.094 0.070 0.000 1.023 100 V CA -0.392 61.925 62.300 0.029 0.000 0.857 100 V CB 1.220 33.045 31.823 0.004 0.000 0.985 100 V HN 0.921 nan 8.190 nan 0.000 0.443 101 T N 3.627 118.214 114.554 0.055 0.000 2.792 101 T HA 0.503 4.853 4.350 -0.000 0.000 0.280 101 T C -0.681 174.025 174.700 0.011 0.000 0.990 101 T CA -0.561 61.570 62.100 0.051 0.000 0.960 101 T CB 1.457 70.334 68.868 0.014 0.000 0.939 101 T HN 0.799 nan 8.240 nan 0.000 0.439 102 E N 4.067 124.239 120.200 -0.047 0.000 2.179 102 E HA 0.440 4.790 4.350 -0.000 0.000 0.275 102 E C -1.485 175.062 176.600 -0.088 0.000 0.945 102 E CA -0.824 55.581 56.400 0.009 0.000 0.792 102 E CB 0.872 30.604 29.700 0.053 0.000 1.125 102 E HN 0.634 nan 8.360 nan 0.000 0.397 103 F N 2.687 122.764 119.950 0.211 0.000 2.382 103 F HA 0.470 4.996 4.527 -0.000 0.000 0.361 103 F C 0.315 176.259 175.800 0.241 0.000 1.109 103 F CA -0.472 57.668 58.000 0.233 0.000 1.031 103 F CB 1.735 40.800 39.000 0.109 0.000 1.234 103 F HN 0.458 nan 8.300 nan 0.000 0.445 104 A N 2.456 125.528 122.820 0.421 0.000 2.320 104 A HA 0.986 5.306 4.320 -0.000 0.000 0.334 104 A C 0.055 177.903 177.584 0.440 0.000 1.147 104 A CA -0.149 52.130 52.037 0.404 0.000 0.820 104 A CB 1.223 20.474 19.000 0.418 0.000 1.218 104 A HN 0.990 nan 8.150 nan 0.000 0.482 105 G N -0.227 108.769 108.800 0.327 0.000 2.316 105 G HA2 0.462 4.421 3.960 -0.000 0.000 0.296 105 G HA3 0.462 4.421 3.960 -0.000 0.000 0.296 105 G C -0.634 174.348 174.900 0.136 0.000 1.399 105 G CA -0.812 44.422 45.100 0.224 0.000 0.833 105 G HN 0.702 nan 8.290 nan 0.000 0.565 106 M N 0.000 119.625 119.600 0.042 0.000 1.921 106 M HA 0.460 4.939 4.480 -0.000 0.000 0.243 106 M C 0.904 177.213 176.300 0.015 0.000 1.280 106 M CA -0.392 54.922 55.300 0.024 0.000 0.988 106 M CB 0.333 32.891 32.600 -0.070 0.000 1.336 106 M HN 0.615 nan 8.290 nan 0.000 0.496 107 F N 0.022 120.008 119.950 0.059 0.000 2.602 107 F HA 0.393 4.920 4.527 -0.000 0.000 0.367 107 F C 1.042 176.873 175.800 0.052 0.000 1.126 107 F CA -0.084 57.950 58.000 0.057 0.000 1.321 107 F CB -0.731 38.296 39.000 0.044 0.000 1.094 107 F HN 0.823 nan 8.300 nan 0.000 0.594 108 G N 2.189 111.082 108.800 0.155 0.000 2.200 108 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.267 108 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.267 108 G C 1.057 175.914 174.900 -0.072 0.000 0.993 108 G CA 0.950 46.081 45.100 0.051 0.000 0.701 108 G HN 1.438 nan 8.290 nan 0.000 0.524 109 S N -1.234 114.421 115.700 -0.075 0.000 2.481 109 S HA 0.353 4.822 4.470 -0.000 0.000 0.231 109 S C 2.065 176.697 174.600 0.054 0.000 0.996 109 S CA 1.287 59.464 58.200 -0.040 0.000 0.942 109 S CB 0.096 63.295 63.200 -0.003 0.000 0.768 109 S HN 2.316 nan 8.310 nan 0.000 0.520 110 G N 1.044 109.890 108.800 0.076 0.000 2.145 110 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.145 110 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.145 110 G C 0.591 175.531 174.900 0.066 0.000 1.017 110 G CA 0.119 45.277 45.100 0.097 0.000 0.682 110 G HN 0.459 nan 8.290 nan 0.000 0.504 111 K N -0.230 120.223 120.400 0.088 0.000 2.026 111 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 111 K C 2.500 179.136 176.600 0.060 0.000 1.048 111 K CA 1.856 58.188 56.287 0.075 0.000 0.929 111 K CB -0.278 32.318 32.500 0.160 0.000 0.713 111 K HN 0.297 nan 8.250 nan 0.000 0.439 112 T N 1.488 116.118 114.554 0.126 0.000 2.821 112 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 112 T C 1.838 176.679 174.700 0.236 0.000 1.046 112 T CA 0.941 63.176 62.100 0.225 0.000 1.139 112 T CB -0.075 68.929 68.868 0.226 0.000 0.871 112 T HN 0.151 nan 8.240 nan 0.000 0.454 113 Q N 0.750 120.599 119.800 0.081 0.000 2.096 113 Q HA 0.013 4.353 4.340 -0.000 0.000 0.204 113 Q C 2.392 178.401 176.000 0.016 0.000 0.982 113 Q CA 1.221 57.040 55.803 0.025 0.000 0.850 113 Q CB -0.616 28.120 28.738 -0.002 0.000 0.901 113 Q HN 0.545 nan 8.270 nan 0.000 0.422 114 I N 0.131 120.645 120.570 -0.095 0.000 2.315 114 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 114 I C 2.120 178.156 176.117 -0.134 0.000 1.117 114 I CA 0.715 61.864 61.300 -0.252 0.000 1.404 114 I CB -0.229 37.413 38.000 -0.596 0.000 1.071 114 I HN 0.194 nan 8.210 nan 0.000 0.419 115 M N -0.326 119.266 119.600 -0.014 0.000 2.117 115 M HA -0.192 4.288 4.480 -0.000 0.000 0.262 115 M C 2.337 178.732 176.300 0.158 0.000 1.065 115 M CA 1.811 57.134 55.300 0.038 0.000 1.114 115 M CB -1.647 30.980 32.600 0.044 0.000 1.361 115 M HN 0.328 nan 8.290 nan 0.000 0.408 116 H N -0.611 118.567 119.070 0.180 0.000 2.353 116 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 116 H C 2.195 177.562 175.328 0.064 0.000 1.090 116 H CA 1.816 57.957 56.048 0.156 0.000 1.327 116 H CB -0.038 29.752 29.762 0.047 0.000 1.383 116 H HN 0.337 nan 8.280 nan 0.000 0.508 117 Q N 0.895 120.767 119.800 0.119 0.000 2.124 117 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 117 Q C 2.382 178.390 176.000 0.013 0.000 0.977 117 Q CA 2.274 58.095 55.803 0.029 0.000 0.850 117 Q CB -0.348 28.363 28.738 -0.044 0.000 0.901 117 Q HN 0.551 nan 8.270 nan 0.000 0.429 118 T N -2.957 111.599 114.554 0.004 0.000 2.915 118 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 118 T C 2.067 176.791 174.700 0.040 0.000 1.071 118 T CA 1.186 63.290 62.100 0.007 0.000 1.132 118 T CB -0.906 67.956 68.868 -0.011 0.000 0.878 118 T HN 0.346 nan 8.240 nan 0.000 0.479 119 C N 0.790 120.129 119.300 0.065 0.000 2.457 119 C HA 0.125 4.585 4.460 -0.000 0.000 0.278 119 C C 2.930 177.946 174.990 0.044 0.000 1.309 119 C CA 0.089 59.151 59.018 0.073 0.000 1.735 119 C CB -1.078 26.732 27.740 0.117 0.000 1.992 119 C HN 0.461 nan 8.230 nan 0.000 0.493 120 V N 2.107 122.045 119.914 0.040 0.000 2.307 120 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 120 V C 2.112 178.207 176.094 0.002 0.000 1.045 120 V CA 2.025 64.336 62.300 0.018 0.000 1.024 120 V CB -0.702 31.131 31.823 0.018 0.000 0.651 120 V HN 0.502 nan 8.190 nan 0.000 0.449 121 N N 0.196 118.896 118.700 0.001 0.000 2.289 121 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 121 N C 1.741 177.239 175.510 -0.021 0.000 1.016 121 N CA 0.903 53.945 53.050 -0.014 0.000 0.872 121 N CB -0.485 37.995 38.487 -0.013 0.000 0.973 121 N HN 0.372 nan 8.380 nan 0.000 0.433 122 L N 0.736 121.962 121.223 0.005 0.000 2.187 122 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 122 L C 0.910 177.756 176.870 -0.040 0.000 1.100 122 L CA 1.319 56.164 54.840 0.007 0.000 0.765 122 L CB -0.032 42.052 42.059 0.042 0.000 0.904 122 L HN 0.179 nan 8.230 nan 0.000 0.437 123 Q N -0.480 119.299 119.800 -0.036 0.000 2.322 123 Q HA 0.183 4.523 4.340 -0.000 0.000 0.203 123 Q C -0.251 175.715 176.000 -0.057 0.000 0.923 123 Q CA 0.378 56.152 55.803 -0.049 0.000 0.949 123 Q CB 0.350 29.066 28.738 -0.037 0.000 1.039 123 Q HN 0.488 nan 8.270 nan 0.000 0.496 124 M N -0.216 119.343 119.600 -0.067 0.000 2.142 124 M HA 0.351 4.831 4.480 -0.000 0.000 0.299 124 M C 0.746 176.980 176.300 -0.110 0.000 0.960 124 M CA -0.255 55.001 55.300 -0.073 0.000 0.920 124 M CB 2.349 34.915 32.600 -0.057 0.000 1.541 124 M HN -0.167 nan 8.290 nan 0.000 0.429 125 R N 1.068 121.502 120.500 -0.110 0.000 2.328 125 R HA -0.082 4.258 4.340 -0.000 0.000 0.207 125 R C 0.622 176.822 176.300 -0.167 0.000 1.056 125 R CA 1.232 57.246 56.100 -0.144 0.000 1.016 125 R CB 0.302 30.533 30.300 -0.115 0.000 0.872 125 R HN 0.675 nan 8.270 nan 0.000 0.471 126 E N -0.515 119.608 120.200 -0.127 0.000 2.427 126 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 126 E C 1.194 177.649 176.600 -0.242 0.000 1.028 126 E CA 0.668 57.007 56.400 -0.101 0.000 0.864 126 E CB 0.257 29.947 29.700 -0.017 0.000 0.813 126 E HN -0.008 nan 8.360 nan 0.000 0.514 127 K N 0.026 120.244 120.400 -0.303 0.000 2.356 127 K HA 0.230 4.549 4.320 -0.000 0.000 0.195 127 K C 0.083 176.224 176.600 -0.764 0.000 1.037 127 K CA 0.204 56.254 56.287 -0.396 0.000 1.014 127 K CB 0.482 32.887 32.500 -0.157 0.000 0.815 127 K HN 0.102 nan 8.250 nan 0.000 0.507 128 I N 1.665 121.842 120.570 -0.654 0.000 2.321 128 I HA 0.205 4.375 4.170 -0.000 0.000 0.291 128 I C -0.892 174.872 176.117 -0.588 0.000 0.998 128 I CA -0.744 60.266 61.300 -0.483 0.000 1.227 128 I CB 0.708 38.549 38.000 -0.266 0.000 1.368 128 I HN -0.162 nan 8.210 nan 0.000 0.466 129 F N 5.889 125.933 119.950 0.156 0.000 2.347 129 F HA 0.657 5.184 4.527 -0.000 0.000 0.366 129 F C 0.423 176.323 175.800 0.168 0.000 1.107 129 F CA -0.648 57.425 58.000 0.121 0.000 1.058 129 F CB 1.147 40.205 39.000 0.097 0.000 1.236 129 F HN 0.377 nan 8.300 nan 0.000 0.456 130 A N 2.115 125.077 122.820 0.236 0.000 2.386 130 A HA 0.515 4.835 4.320 -0.000 0.000 0.311 130 A C -1.078 176.593 177.584 0.145 0.000 1.068 130 A CA -0.749 51.410 52.037 0.202 0.000 0.743 130 A CB 1.167 20.227 19.000 0.099 0.000 1.258 130 A HN 0.554 nan 8.150 nan 0.000 0.429 131 D N 2.489 122.971 120.400 0.138 0.000 2.317 131 D HA 0.166 4.806 4.640 -0.000 0.000 0.252 131 D C 0.679 177.023 176.300 0.073 0.000 1.174 131 D CA -0.451 53.607 54.000 0.097 0.000 0.866 131 D CB 0.879 41.734 40.800 0.091 0.000 1.127 131 D HN 0.289 nan 8.370 nan 0.000 0.467 132 L N 3.448 124.703 121.223 0.054 0.000 2.275 132 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 132 L C 1.908 178.799 176.870 0.035 0.000 1.119 132 L CA 0.964 55.825 54.840 0.037 0.000 0.790 132 L CB -0.943 41.133 42.059 0.028 0.000 0.919 132 L HN 0.492 nan 8.230 nan 0.000 0.443 133 E N 0.019 120.243 120.200 0.040 0.000 2.418 133 E HA -0.007 4.343 4.350 -0.000 0.000 0.197 133 E C 1.806 178.429 176.600 0.040 0.000 1.026 133 E CA 0.870 57.292 56.400 0.036 0.000 0.862 133 E CB 0.189 29.909 29.700 0.034 0.000 0.799 133 E HN 0.488 nan 8.360 nan 0.000 0.518 134 G N -0.320 108.510 108.800 0.050 0.000 3.581 134 G HA2 0.217 4.177 3.960 -0.000 0.000 0.248 134 G HA3 0.217 4.177 3.960 -0.000 0.000 0.248 134 G C -0.111 174.830 174.900 0.067 0.000 1.037 134 G CA -0.104 45.030 45.100 0.057 0.000 0.902 134 G HN 0.020 nan 8.290 nan 0.000 0.512 135 V N 1.913 121.861 119.914 0.058 0.000 2.501 135 V HA 0.246 4.366 4.120 -0.000 0.000 0.277 135 V C -0.165 175.934 176.094 0.008 0.000 1.004 135 V CA -0.735 61.591 62.300 0.044 0.000 0.862 135 V CB 1.659 33.520 31.823 0.063 0.000 1.035 135 V HN -0.013 nan 8.190 nan 0.000 0.448 136 V N 4.005 123.920 119.914 0.003 0.000 2.485 136 V HA 0.051 4.171 4.120 -0.000 0.000 0.287 136 V C 1.651 177.722 176.094 -0.037 0.000 1.022 136 V CA 0.315 62.609 62.300 -0.009 0.000 1.067 136 V CB 0.770 32.592 31.823 -0.001 0.000 0.967 136 V HN 0.972 nan 8.190 nan 0.000 0.479 137 E N 2.971 123.145 120.200 -0.044 0.000 2.253 137 E HA -0.294 4.056 4.350 -0.000 0.000 0.202 137 E C 1.980 178.536 176.600 -0.074 0.000 1.014 137 E CA 1.793 58.151 56.400 -0.070 0.000 0.823 137 E CB 0.040 29.707 29.700 -0.055 0.000 0.736 137 E HN 0.964 nan 8.360 nan 0.000 0.478 138 E N 0.526 120.696 120.200 -0.050 0.000 2.409 138 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 138 E C 1.745 178.313 176.600 -0.054 0.000 1.024 138 E CA 0.931 57.304 56.400 -0.045 0.000 0.861 138 E CB -0.037 29.647 29.700 -0.026 0.000 0.788 138 E HN 0.321 nan 8.360 nan 0.000 0.521 139 E N 0.790 120.951 120.200 -0.065 0.000 2.299 139 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 139 E C 1.604 178.121 176.600 -0.137 0.000 0.998 139 E CA 0.175 56.532 56.400 -0.071 0.000 0.851 139 E CB 0.197 29.868 29.700 -0.050 0.000 0.795 139 E HN 0.352 nan 8.360 nan 0.000 0.492 140 L N 0.822 121.935 121.223 -0.184 0.000 2.640 140 L HA 0.223 4.563 4.340 -0.000 0.000 0.230 140 L C 0.868 177.625 176.870 -0.188 0.000 1.123 140 L CA -0.185 54.492 54.840 -0.272 0.000 0.900 140 L CB 0.155 42.014 42.059 -0.333 0.000 1.146 140 L HN 0.046 nan 8.230 nan 0.000 0.484 141 E N 1.844 121.969 120.200 -0.123 0.000 2.384 141 E HA 0.188 4.538 4.350 -0.000 0.000 0.266 141 E C 0.698 177.250 176.600 -0.079 0.000 1.012 141 E CA 0.424 56.770 56.400 -0.090 0.000 0.901 141 E CB 0.687 30.349 29.700 -0.063 0.000 0.967 141 E HN 0.234 nan 8.360 nan 0.000 0.435 142 A N 4.135 126.913 122.820 -0.071 0.000 2.415 142 A HA -0.127 4.193 4.320 -0.000 0.000 0.292 142 A C -2.228 175.324 177.584 -0.053 0.000 1.452 142 A CA 0.501 52.504 52.037 -0.056 0.000 0.750 142 A CB -1.593 17.384 19.000 -0.038 0.000 1.099 142 A HN 0.508 nan 8.150 nan 0.000 0.391 143 P HA 0.340 nan 4.420 nan 0.000 0.271 143 P C -0.222 177.065 177.300 -0.022 0.000 1.216 143 P CA 0.363 63.425 63.100 -0.063 0.000 0.771 143 P CB 0.882 32.509 31.700 -0.123 0.000 0.864 144 K N 1.583 121.998 120.400 0.025 0.000 2.267 144 K HA 0.757 5.077 4.320 -0.000 0.000 0.246 144 K C -0.428 176.229 176.600 0.094 0.000 0.954 144 K CA -0.936 55.381 56.287 0.051 0.000 0.824 144 K CB 2.406 34.989 32.500 0.138 0.000 1.167 144 K HN 0.466 nan 8.250 nan 0.000 0.431 145 A N 1.234 124.103 122.820 0.081 0.000 2.337 145 A HA 0.676 4.996 4.320 -0.000 0.000 0.331 145 A C -1.004 176.671 177.584 0.152 0.000 1.137 145 A CA -0.689 51.409 52.037 0.101 0.000 0.807 145 A CB 1.251 20.294 19.000 0.072 0.000 1.250 145 A HN 0.369 nan 8.150 nan 0.000 0.468 146 V N 1.469 121.453 119.914 0.115 0.000 2.407 146 V HA 0.280 4.400 4.120 -0.000 0.000 0.291 146 V C -1.316 174.803 176.094 0.041 0.000 1.018 146 V CA -0.201 62.157 62.300 0.097 0.000 0.842 146 V CB 1.051 32.900 31.823 0.045 0.000 0.996 146 V HN 0.797 nan 8.190 nan 0.000 0.426 147 Y N 5.564 125.784 120.300 -0.133 0.000 2.587 147 Y HA 0.557 5.106 4.550 -0.000 0.000 0.328 147 Y C 0.173 175.947 175.900 -0.210 0.000 0.980 147 Y CA -0.692 57.302 58.100 -0.177 0.000 1.272 147 Y CB 0.993 39.269 38.460 -0.306 0.000 1.094 147 Y HN 0.565 nan 8.280 nan 0.000 0.503 148 I N 5.427 126.004 120.570 0.012 0.000 2.329 148 I HA 0.037 4.206 4.170 -0.000 0.000 0.295 148 I C -0.180 176.010 176.117 0.121 0.000 1.109 148 I CA 0.026 61.334 61.300 0.012 0.000 1.297 148 I CB 0.109 38.142 38.000 0.054 0.000 1.433 148 I HN 0.564 nan 8.210 nan 0.000 0.509 149 D N 4.647 125.137 120.400 0.150 0.000 2.317 149 D HA 0.099 4.739 4.640 -0.000 0.000 0.252 149 D C 0.748 177.091 176.300 0.072 0.000 1.174 149 D CA 0.180 54.297 54.000 0.195 0.000 0.866 149 D CB 1.448 42.319 40.800 0.119 0.000 1.127 149 D HN 0.381 nan 8.370 nan 0.000 0.467 150 T N 2.886 117.497 114.554 0.095 0.000 3.014 150 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 150 T C 0.920 175.628 174.700 0.013 0.000 1.060 150 T CA 0.366 62.492 62.100 0.043 0.000 1.040 150 T CB 0.324 69.244 68.868 0.086 0.000 0.971 150 T HN 0.442 nan 8.240 nan 0.000 0.497 151 E N -0.065 120.166 120.200 0.051 0.000 2.539 151 E HA 0.361 4.711 4.350 -0.000 0.000 0.215 151 E C 0.961 177.583 176.600 0.036 0.000 0.965 151 E CA 0.056 56.486 56.400 0.049 0.000 1.019 151 E CB 1.036 30.791 29.700 0.091 0.000 1.059 151 E HN 0.288 nan 8.360 nan 0.000 0.496 152 G N 2.144 110.962 108.800 0.029 0.000 2.212 152 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.255 152 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.255 152 G C 0.792 175.745 174.900 0.087 0.000 1.062 152 G CA 0.693 45.815 45.100 0.037 0.000 0.815 152 G HN 0.352 nan 8.290 nan 0.000 0.497 153 T N -2.668 111.967 114.554 0.135 0.000 3.069 153 T HA 0.427 4.776 4.350 -0.000 0.000 0.252 153 T C 0.919 175.717 174.700 0.163 0.000 1.053 153 T CA 0.092 62.273 62.100 0.135 0.000 0.964 153 T CB 0.262 69.225 68.868 0.158 0.000 1.005 153 T HN 0.906 nan 8.240 nan 0.000 0.532 154 F N 3.838 123.792 119.950 0.006 0.000 2.608 154 F HA 0.382 4.909 4.527 -0.001 0.000 0.380 154 F C 0.215 176.024 175.800 0.015 0.000 1.083 154 F CA -0.743 57.190 58.000 -0.112 0.000 1.266 154 F CB 0.392 39.153 39.000 -0.399 0.000 1.076 154 F HN -0.090 nan 8.300 nan 0.000 0.574 155 R N 7.617 127.737 120.500 -0.633 0.000 2.412 155 R HA 0.225 4.565 4.340 -0.000 0.000 0.304 155 R C -2.143 173.730 176.300 -0.712 0.000 1.066 155 R CA -1.861 53.911 56.100 -0.548 0.000 0.923 155 R CB 1.109 31.190 30.300 -0.366 0.000 1.156 155 R HN 0.366 nan 8.270 nan 0.000 0.513 156 P HA -0.172 nan 4.420 nan 0.000 0.216 156 P C 0.385 177.564 177.300 -0.203 0.000 1.150 156 P CA 1.302 64.189 63.100 -0.355 0.000 0.843 156 P CB 0.524 32.161 31.700 -0.104 0.000 0.787 157 E N -1.021 119.070 120.200 -0.180 0.000 2.208 157 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 157 E C 2.033 178.557 176.600 -0.125 0.000 0.988 157 E CA 0.684 57.011 56.400 -0.122 0.000 0.828 157 E CB -0.562 29.077 29.700 -0.101 0.000 0.763 157 E HN 0.056 nan 8.360 nan 0.000 0.478 158 R N 0.697 121.090 120.500 -0.179 0.000 2.119 158 R HA 0.035 4.375 4.340 -0.000 0.000 0.222 158 R C 1.782 178.029 176.300 -0.088 0.000 1.088 158 R CA 0.711 56.709 56.100 -0.171 0.000 0.984 158 R CB -0.509 29.596 30.300 -0.326 0.000 0.884 158 R HN 0.137 nan 8.270 nan 0.000 0.447 159 V N -0.405 119.477 119.914 -0.054 0.000 2.379 159 V HA -0.153 3.966 4.120 -0.000 0.000 0.245 159 V C 2.172 178.258 176.094 -0.013 0.000 1.044 159 V CA 1.523 63.830 62.300 0.011 0.000 1.036 159 V CB -0.211 31.624 31.823 0.019 0.000 0.664 159 V HN 0.118 nan 8.190 nan 0.000 0.453 160 V N -0.147 119.744 119.914 -0.037 0.000 2.343 160 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 160 V C 2.402 178.479 176.094 -0.029 0.000 1.051 160 V CA 2.400 64.682 62.300 -0.031 0.000 1.036 160 V CB -0.575 31.225 31.823 -0.037 0.000 0.654 160 V HN 0.637 nan 8.190 nan 0.000 0.451 161 Q N -0.617 119.160 119.800 -0.039 0.000 2.079 161 Q HA -0.200 4.140 4.340 -0.000 0.000 0.200 161 Q C 2.226 178.211 176.000 -0.026 0.000 0.974 161 Q CA 1.814 57.596 55.803 -0.036 0.000 0.840 161 Q CB -0.105 28.604 28.738 -0.048 0.000 0.898 161 Q HN 0.577 nan 8.270 nan 0.000 0.430 162 M N -0.338 119.249 119.600 -0.023 0.000 2.229 162 M HA -0.081 4.399 4.480 -0.000 0.000 0.264 162 M C 2.205 178.501 176.300 -0.008 0.000 1.063 162 M CA 1.181 56.474 55.300 -0.012 0.000 1.114 162 M CB -0.083 32.518 32.600 0.001 0.000 1.387 162 M HN 0.318 nan 8.290 nan 0.000 0.420 163 A N 0.334 123.149 122.820 -0.008 0.000 1.898 163 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 163 A C 2.022 179.599 177.584 -0.011 0.000 1.181 163 A CA 1.242 53.274 52.037 -0.009 0.000 0.620 163 A CB -0.376 18.618 19.000 -0.010 0.000 0.819 163 A HN 0.377 nan 8.150 nan 0.000 0.442 164 E N -0.161 120.031 120.200 -0.013 0.000 2.051 164 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 164 E C 2.161 178.755 176.600 -0.010 0.000 0.991 164 E CA 1.242 57.634 56.400 -0.013 0.000 0.799 164 E CB -0.909 28.782 29.700 -0.015 0.000 0.748 164 E HN 0.560 nan 8.360 nan 0.000 0.449 165 G N 1.171 109.965 108.800 -0.010 0.000 2.450 165 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 165 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 165 G C 1.607 176.504 174.900 -0.004 0.000 1.130 165 G CA 1.044 46.140 45.100 -0.007 0.000 0.760 165 G HN 0.383 nan 8.290 nan 0.000 0.557 166 A N -0.690 122.126 122.820 -0.005 0.000 2.178 166 A HA 0.488 4.808 4.320 -0.000 0.000 0.211 166 A C 1.905 179.487 177.584 -0.005 0.000 1.157 166 A CA 1.274 53.309 52.037 -0.004 0.000 0.780 166 A CB -0.198 18.798 19.000 -0.006 0.000 0.828 166 A HN 1.594 nan 8.150 nan 0.000 0.476 167 G N -0.379 108.417 108.800 -0.007 0.000 2.140 167 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.211 167 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.211 167 G C 0.101 174.995 174.900 -0.010 0.000 1.013 167 G CA 0.306 45.402 45.100 -0.007 0.000 0.705 167 G HN 1.306 nan 8.290 nan 0.000 0.508 168 I N -3.663 116.900 120.570 -0.012 0.000 3.322 168 I HA 0.815 4.985 4.170 -0.000 0.000 0.313 168 I C -0.566 175.541 176.117 -0.016 0.000 1.129 168 I CA -1.558 59.733 61.300 -0.015 0.000 0.963 168 I CB 1.656 39.645 38.000 -0.019 0.000 1.273 168 I HN -0.077 nan 8.210 nan 0.000 0.473 169 D N 1.207 121.596 120.400 -0.018 0.000 2.317 169 D HA 0.345 4.985 4.640 -0.000 0.000 0.252 169 D C 1.191 177.480 176.300 -0.019 0.000 1.174 169 D CA 0.455 54.444 54.000 -0.019 0.000 0.866 169 D CB 1.744 42.532 40.800 -0.020 0.000 1.127 169 D HN 0.739 nan 8.370 nan 0.000 0.467 170 G N 2.876 111.665 108.800 -0.018 0.000 2.418 170 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.217 170 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.217 170 G C 1.338 176.227 174.900 -0.018 0.000 1.158 170 G CA 0.638 45.728 45.100 -0.017 0.000 0.771 170 G HN 0.518 nan 8.290 nan 0.000 0.545 171 Q N 0.517 120.304 119.800 -0.021 0.000 2.226 171 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 171 Q C 2.478 178.459 176.000 -0.032 0.000 0.975 171 Q CA 2.005 57.794 55.803 -0.024 0.000 0.866 171 Q CB -0.748 27.977 28.738 -0.023 0.000 0.915 171 Q HN 0.412 nan 8.270 nan 0.000 0.440 172 T N -0.649 113.886 114.554 -0.032 0.000 2.737 172 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 172 T C 1.754 176.426 174.700 -0.047 0.000 1.038 172 T CA 1.389 63.465 62.100 -0.040 0.000 1.144 172 T CB -0.344 68.503 68.868 -0.035 0.000 0.866 172 T HN 0.118 nan 8.240 nan 0.000 0.434 173 V N 1.780 121.674 119.914 -0.033 0.000 2.343 173 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 173 V C 2.482 178.555 176.094 -0.035 0.000 1.051 173 V CA 1.427 63.711 62.300 -0.027 0.000 1.036 173 V CB -0.755 31.065 31.823 -0.004 0.000 0.654 173 V HN 0.448 nan 8.190 nan 0.000 0.451 174 L N -0.334 120.874 121.223 -0.025 0.000 2.141 174 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 174 L C 2.277 179.090 176.870 -0.096 0.000 1.094 174 L CA 1.366 56.192 54.840 -0.024 0.000 0.763 174 L CB -0.699 41.359 42.059 -0.002 0.000 0.908 174 L HN 0.351 nan 8.230 nan 0.000 0.437 175 D N -0.028 120.309 120.400 -0.104 0.000 2.224 175 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 175 D C 1.220 177.375 176.300 -0.241 0.000 0.965 175 D CA 0.925 54.837 54.000 -0.148 0.000 0.852 175 D CB -0.072 40.667 40.800 -0.101 0.000 0.947 175 D HN 0.339 nan 8.370 nan 0.000 0.494 176 N N 0.228 118.803 118.700 -0.209 0.000 2.279 176 N HA 0.037 4.777 4.740 -0.000 0.000 0.226 176 N C -0.523 174.815 175.510 -0.287 0.000 1.126 176 N CA 0.198 53.100 53.050 -0.247 0.000 0.846 176 N CB 1.173 39.582 38.487 -0.130 0.000 1.050 176 N HN -0.059 nan 8.380 nan 0.000 0.502 177 T N 0.659 115.004 114.554 -0.349 0.000 2.841 177 T HA 0.426 4.775 4.350 -0.000 0.000 0.285 177 T C -0.497 173.960 174.700 -0.405 0.000 0.991 177 T CA -0.391 61.549 62.100 -0.266 0.000 0.966 177 T CB 1.005 69.814 68.868 -0.097 0.000 0.962 177 T HN -0.082 nan 8.240 nan 0.000 0.438 178 F N 2.117 122.001 119.950 -0.110 0.000 2.408 178 F HA 0.601 5.128 4.527 -0.000 0.000 0.344 178 F C 0.154 175.806 175.800 -0.247 0.000 1.112 178 F CA -0.812 57.094 58.000 -0.156 0.000 1.096 178 F CB 1.325 40.250 39.000 -0.124 0.000 1.129 178 F HN 0.161 nan 8.300 nan 0.000 0.486 179 V N 3.092 122.903 119.914 -0.171 0.000 2.487 179 V HA 0.754 4.874 4.120 -0.000 0.000 0.298 179 V C -0.502 175.393 176.094 -0.331 0.000 1.028 179 V CA -0.859 61.211 62.300 -0.384 0.000 0.860 179 V CB 1.575 32.918 31.823 -0.801 0.000 0.991 179 V HN 0.846 nan 8.190 nan 0.000 0.427 180 A N 4.320 126.892 122.820 -0.413 0.000 2.311 180 A HA 0.815 5.134 4.320 -0.000 0.000 0.306 180 A C -0.397 176.909 177.584 -0.465 0.000 1.189 180 A CA -0.778 50.833 52.037 -0.709 0.000 0.791 180 A CB 1.008 19.081 19.000 -1.546 0.000 1.172 180 A HN 0.758 nan 8.150 nan 0.000 0.481 181 R N 2.422 122.792 120.500 -0.217 0.000 2.242 181 R HA 0.567 4.907 4.340 -0.000 0.000 0.334 181 R C -0.194 176.151 176.300 0.075 0.000 1.071 181 R CA 0.358 56.397 56.100 -0.103 0.000 0.922 181 R CB 0.285 30.525 30.300 -0.100 0.000 1.023 181 R HN 0.819 nan 8.270 nan 0.000 0.458 182 A N 4.856 127.699 122.820 0.038 0.000 2.276 182 A HA 0.367 4.687 4.320 -0.000 0.000 0.316 182 A C -0.754 176.751 177.584 -0.131 0.000 1.229 182 A CA -0.585 51.545 52.037 0.155 0.000 0.851 182 A CB 0.362 19.509 19.000 0.244 0.000 1.165 182 A HN 0.912 nan 8.150 nan 0.000 0.513 183 Y N 1.697 122.046 120.300 0.081 0.000 2.449 183 Y HA 0.136 4.686 4.550 -0.000 0.000 0.254 183 Y C 1.085 176.978 175.900 -0.012 0.000 1.140 183 Y CA 0.501 58.622 58.100 0.035 0.000 1.272 183 Y CB 0.315 38.791 38.460 0.026 0.000 1.114 183 Y HN 0.865 nan 8.280 nan 0.000 0.525 184 N N -2.336 116.404 118.700 0.068 0.000 3.020 184 N HA 0.072 4.812 4.740 -0.000 0.000 0.248 184 N C 0.343 175.763 175.510 -0.150 0.000 1.480 184 N CA 0.163 53.188 53.050 -0.042 0.000 0.874 184 N CB 1.108 39.570 38.487 -0.041 0.000 1.433 184 N HN -0.076 nan 8.380 nan 0.000 0.530 185 S N -0.340 115.192 115.700 -0.281 0.000 2.382 185 S HA -0.184 4.285 4.470 -0.000 0.000 0.228 185 S C 0.879 175.297 174.600 -0.304 0.000 1.027 185 S CA 1.456 59.348 58.200 -0.513 0.000 0.991 185 S CB -0.494 62.200 63.200 -0.844 0.000 0.823 185 S HN 0.552 nan 8.310 nan 0.000 0.469 186 D N 1.552 121.840 120.400 -0.186 0.000 2.117 186 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 186 D C 2.027 178.225 176.300 -0.169 0.000 0.987 186 D CA 1.342 55.262 54.000 -0.134 0.000 0.829 186 D CB -0.290 40.450 40.800 -0.099 0.000 0.961 186 D HN 0.464 nan 8.370 nan 0.000 0.460 187 M N 0.352 119.841 119.600 -0.186 0.000 2.132 187 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 187 M C 2.379 178.530 176.300 -0.249 0.000 1.065 187 M CA 1.086 56.202 55.300 -0.306 0.000 1.122 187 M CB -0.209 32.274 32.600 -0.194 0.000 1.365 187 M HN -0.033 nan 8.290 nan 0.000 0.411 188 Q N 0.722 120.472 119.800 -0.085 0.000 2.030 188 Q HA -0.208 4.131 4.340 -0.000 0.000 0.204 188 Q C 2.038 178.035 176.000 -0.005 0.000 0.986 188 Q CA 1.786 57.607 55.803 0.029 0.000 0.843 188 Q CB -0.060 28.631 28.738 -0.078 0.000 0.904 188 Q HN 0.495 nan 8.270 nan 0.000 0.420 189 M N -0.045 119.456 119.600 -0.165 0.000 2.108 189 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 189 M C 2.219 178.538 176.300 0.031 0.000 1.066 189 M CA 0.955 56.207 55.300 -0.081 0.000 1.107 189 M CB -0.239 32.317 32.600 -0.073 0.000 1.356 189 M HN 0.303 nan 8.290 nan 0.000 0.406 190 L N -0.108 121.077 121.223 -0.064 0.000 2.056 190 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 190 L C 1.984 178.854 176.870 -0.000 0.000 1.078 190 L CA 1.836 56.627 54.840 -0.082 0.000 0.749 190 L CB -0.728 41.203 42.059 -0.213 0.000 0.901 190 L HN 0.156 nan 8.230 nan 0.000 0.433 191 F N -0.452 119.511 119.950 0.022 0.000 2.161 191 F HA -0.268 4.259 4.527 -0.000 0.000 0.300 191 F C 2.443 178.262 175.800 0.031 0.000 1.089 191 F CA 0.749 58.760 58.000 0.018 0.000 1.282 191 F CB -0.409 38.605 39.000 0.023 0.000 1.010 191 F HN 0.251 nan 8.300 nan 0.000 0.485 192 A N -0.075 122.909 122.820 0.273 0.000 1.969 192 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 192 A C 1.885 179.551 177.584 0.137 0.000 1.169 192 A CA 1.584 53.746 52.037 0.208 0.000 0.635 192 A CB -0.574 18.606 19.000 0.300 0.000 0.810 192 A HN 0.405 nan 8.150 nan 0.000 0.445 193 E N -0.448 119.824 120.200 0.120 0.000 2.285 193 E HA -0.039 4.310 4.350 -0.000 0.000 0.194 193 E C 1.580 178.206 176.600 0.043 0.000 0.997 193 E CA 0.644 57.089 56.400 0.074 0.000 0.845 193 E CB 0.020 29.755 29.700 0.057 0.000 0.782 193 E HN 0.509 nan 8.360 nan 0.000 0.491 194 K N 0.302 120.736 120.400 0.057 0.000 2.426 194 K HA 0.100 4.419 4.320 -0.000 0.000 0.193 194 K C 1.610 178.194 176.600 -0.027 0.000 1.028 194 K CA 0.103 56.406 56.287 0.025 0.000 1.047 194 K CB 0.262 32.808 32.500 0.076 0.000 0.821 194 K HN 0.143 nan 8.250 nan 0.000 0.513 195 I N 1.388 121.944 120.570 -0.023 0.000 2.454 195 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 195 I C 1.789 177.805 176.117 -0.169 0.000 1.156 195 I CA 1.283 62.526 61.300 -0.096 0.000 1.433 195 I CB -0.177 37.793 38.000 -0.051 0.000 1.082 195 I HN 0.218 nan 8.210 nan 0.000 0.432 196 E N 0.732 120.854 120.200 -0.130 0.000 2.204 196 E HA -0.217 4.132 4.350 -0.000 0.000 0.195 196 E C 1.477 177.969 176.600 -0.180 0.000 0.990 196 E CA 1.038 57.328 56.400 -0.184 0.000 0.821 196 E CB -0.070 29.591 29.700 -0.065 0.000 0.750 196 E HN 0.517 nan 8.360 nan 0.000 0.477 197 D N 0.739 121.055 120.400 -0.139 0.000 2.144 197 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 197 D C 2.127 178.321 176.300 -0.176 0.000 0.978 197 D CA 0.649 54.571 54.000 -0.129 0.000 0.833 197 D CB -0.075 40.667 40.800 -0.097 0.000 0.961 197 D HN 0.183 nan 8.370 nan 0.000 0.470 198 L N 0.657 121.734 121.223 -0.244 0.000 2.017 198 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 198 L C 2.571 179.298 176.870 -0.239 0.000 1.073 198 L CA 0.840 55.482 54.840 -0.329 0.000 0.745 198 L CB -0.382 41.370 42.059 -0.510 0.000 0.894 198 L HN 0.013 nan 8.230 nan 0.000 0.432 199 I N -0.027 120.391 120.570 -0.254 0.000 2.286 199 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 199 I C 2.651 178.669 176.117 -0.166 0.000 1.115 199 I CA 1.311 62.465 61.300 -0.242 0.000 1.392 199 I CB -0.388 37.345 38.000 -0.445 0.000 1.065 199 I HN 0.288 nan 8.210 nan 0.000 0.418 200 K N 1.514 121.823 120.400 -0.152 0.000 2.283 200 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 200 K C 1.606 178.161 176.600 -0.076 0.000 1.048 200 K CA 1.204 57.434 56.287 -0.096 0.000 0.948 200 K CB -0.114 32.336 32.500 -0.083 0.000 0.742 200 K HN 0.371 nan 8.250 nan 0.000 0.458 201 G N -0.316 108.431 108.800 -0.089 0.000 3.440 201 G HA2 0.221 4.181 3.960 -0.000 0.000 0.263 201 G HA3 0.221 4.181 3.960 -0.000 0.000 0.263 201 G C 0.682 175.559 174.900 -0.039 0.000 1.236 201 G CA 0.149 45.212 45.100 -0.062 0.000 0.927 201 G HN 0.443 nan 8.290 nan 0.000 0.530 202 G N 0.038 108.813 108.800 -0.041 0.000 2.179 202 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 202 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 202 G C 0.302 175.198 174.900 -0.007 0.000 0.977 202 G CA -0.104 44.983 45.100 -0.022 0.000 0.641 202 G HN 0.497 nan 8.290 nan 0.000 0.533 203 N N 0.884 119.577 118.700 -0.012 0.000 2.422 203 N HA 0.232 4.972 4.740 -0.000 0.000 0.264 203 N C -0.298 175.211 175.510 -0.001 0.000 1.063 203 N CA -0.294 52.778 53.050 0.038 0.000 0.959 203 N CB 1.002 39.540 38.487 0.085 0.000 1.087 203 N HN 0.251 nan 8.380 nan 0.000 0.483 204 N N 3.604 122.314 118.700 0.018 0.000 2.968 204 N HA 0.063 4.803 4.740 -0.000 0.000 0.271 204 N C -0.540 174.984 175.510 0.024 0.000 1.174 204 N CA -0.344 52.706 53.050 -0.000 0.000 1.096 204 N CB -0.160 38.318 38.487 -0.014 0.000 1.403 204 N HN 0.382 nan 8.380 nan 0.000 0.522 205 I N 2.555 123.132 120.570 0.012 0.000 2.576 205 I HA 0.014 4.184 4.170 -0.000 0.000 0.288 205 I C 1.173 177.347 176.117 0.094 0.000 1.126 205 I CA 0.289 61.617 61.300 0.048 0.000 1.362 205 I CB 0.531 38.521 38.000 -0.017 0.000 1.419 205 I HN 0.323 nan 8.210 nan 0.000 0.533 206 K N 4.726 125.209 120.400 0.137 0.000 2.373 206 K HA 0.273 4.593 4.320 -0.000 0.000 0.200 206 K C -0.310 176.482 176.600 0.320 0.000 1.054 206 K CA -0.097 56.351 56.287 0.269 0.000 1.065 206 K CB 0.794 33.407 32.500 0.190 0.000 0.886 206 K HN 0.404 nan 8.250 nan 0.000 0.546 207 L N 0.741 122.077 121.223 0.188 0.000 2.482 207 L HA 0.381 4.721 4.340 -0.000 0.000 0.269 207 L C -1.546 175.368 176.870 0.073 0.000 0.967 207 L CA -0.738 54.182 54.840 0.133 0.000 0.851 207 L CB 1.974 44.109 42.059 0.128 0.000 1.242 207 L HN -0.279 nan 8.230 nan 0.000 0.404 208 V N 6.596 126.534 119.914 0.040 0.000 2.409 208 V HA 0.564 4.684 4.120 -0.000 0.000 0.291 208 V C -0.079 175.990 176.094 -0.041 0.000 1.020 208 V CA -0.349 61.956 62.300 0.008 0.000 0.848 208 V CB 1.645 33.480 31.823 0.020 0.000 0.990 208 V HN 0.626 nan 8.190 nan 0.000 0.430 209 I N 5.719 126.222 120.570 -0.112 0.000 2.465 209 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 209 I C -1.099 174.885 176.117 -0.221 0.000 1.014 209 I CA -0.540 60.622 61.300 -0.230 0.000 1.093 209 I CB 2.159 39.847 38.000 -0.521 0.000 1.267 209 I HN 0.418 nan 8.210 nan 0.000 0.431 210 I N 5.140 125.639 120.570 -0.119 0.000 2.464 210 I HA 0.241 4.411 4.170 -0.000 0.000 0.277 210 I C -0.653 175.461 176.117 -0.005 0.000 1.040 210 I CA -0.110 61.182 61.300 -0.013 0.000 1.153 210 I CB 0.948 39.008 38.000 0.100 0.000 1.274 210 I HN 0.370 nan 8.210 nan 0.000 0.469 211 D N 4.271 124.649 120.400 -0.036 0.000 2.461 211 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 211 D C -0.226 176.161 176.300 0.145 0.000 1.094 211 D CA -0.185 53.849 54.000 0.057 0.000 0.868 211 D CB 1.017 41.835 40.800 0.029 0.000 1.062 211 D HN 0.437 nan 8.370 nan 0.000 0.530 212 S N 2.543 118.328 115.700 0.142 0.000 2.681 212 S HA 0.320 4.790 4.470 -0.000 0.000 0.299 212 S C 0.881 175.577 174.600 0.158 0.000 1.113 212 S CA -0.862 57.423 58.200 0.142 0.000 1.013 212 S CB 1.539 64.830 63.200 0.152 0.000 1.076 212 S HN 0.368 nan 8.310 nan 0.000 0.534 213 L N 1.301 122.617 121.223 0.155 0.000 2.240 213 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 213 L C 2.006 179.007 176.870 0.220 0.000 1.106 213 L CA 2.298 57.247 54.840 0.182 0.000 0.793 213 L CB -0.637 41.470 42.059 0.080 0.000 0.927 213 L HN 1.044 nan 8.230 nan 0.000 0.446 214 T N -5.062 109.593 114.554 0.170 0.000 3.003 214 T HA 0.099 4.449 4.350 -0.000 0.000 0.261 214 T C 1.801 176.652 174.700 0.251 0.000 1.003 214 T CA 0.395 62.619 62.100 0.206 0.000 0.917 214 T CB -0.394 68.507 68.868 0.055 0.000 1.084 214 T HN 0.385 nan 8.240 nan 0.000 0.522 215 S N 2.777 118.593 115.700 0.194 0.000 2.370 215 S HA -0.220 4.250 4.470 -0.000 0.000 0.226 215 S C 2.275 176.960 174.600 0.142 0.000 1.033 215 S CA 1.884 60.179 58.200 0.157 0.000 1.011 215 S CB -1.607 61.669 63.200 0.127 0.000 0.852 215 S HN 0.758 nan 8.310 nan 0.000 0.457 216 T N -0.154 114.462 114.554 0.104 0.000 2.701 216 T HA -0.023 4.326 4.350 -0.000 0.000 0.263 216 T C 1.540 176.258 174.700 0.029 0.000 1.040 216 T CA 1.142 63.237 62.100 -0.007 0.000 1.147 216 T CB -1.141 67.625 68.868 -0.170 0.000 0.865 216 T HN 0.352 nan 8.240 nan 0.000 0.426 217 F N 2.066 122.109 119.950 0.155 0.000 2.120 217 F HA 0.019 4.546 4.527 -0.000 0.000 0.300 217 F C 2.958 178.937 175.800 0.299 0.000 1.095 217 F CA 1.533 59.679 58.000 0.243 0.000 1.249 217 F CB -0.446 38.571 39.000 0.028 0.000 0.995 217 F HN 0.093 nan 8.300 nan 0.000 0.480 218 R N 0.714 121.426 120.500 0.354 0.000 2.189 218 R HA -0.172 4.168 4.340 -0.000 0.000 0.223 218 R C 1.913 178.332 176.300 0.198 0.000 1.092 218 R CA 1.594 57.842 56.100 0.247 0.000 0.989 218 R CB -0.548 29.862 30.300 0.183 0.000 0.876 218 R HN 0.474 nan 8.270 nan 0.000 0.457 219 N N -0.093 118.707 118.700 0.166 0.000 2.305 219 N HA -0.098 4.642 4.740 -0.000 0.000 0.179 219 N C 0.887 176.422 175.510 0.042 0.000 1.019 219 N CA 0.602 53.706 53.050 0.089 0.000 0.869 219 N CB 0.209 38.731 38.487 0.057 0.000 1.000 219 N HN 0.310 nan 8.380 nan 0.000 0.431 220 E N -0.792 119.425 120.200 0.028 0.000 2.435 220 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 220 E C -0.449 175.849 176.600 -0.503 0.000 1.029 220 E CA 0.463 56.708 56.400 -0.258 0.000 0.865 220 E CB 0.291 29.734 29.700 -0.428 0.000 0.833 220 E HN 0.369 nan 8.360 nan 0.000 0.510 221 F N 0.150 120.133 119.950 0.054 0.000 2.623 221 F HA 0.141 4.667 4.527 -0.000 0.000 0.361 221 F C 1.407 177.243 175.800 0.060 0.000 1.469 221 F CA -0.477 57.561 58.000 0.063 0.000 1.126 221 F CB 0.171 39.227 39.000 0.094 0.000 1.221 221 F HN -0.111 nan 8.300 nan 0.000 0.536 222 T N -2.442 112.199 114.554 0.145 0.000 2.833 222 T HA -0.030 4.319 4.350 -0.000 0.000 0.269 222 T C 1.377 176.136 174.700 0.098 0.000 1.054 222 T CA 0.856 63.023 62.100 0.110 0.000 1.135 222 T CB -0.383 68.523 68.868 0.063 0.000 0.869 222 T HN 0.381 nan 8.240 nan 0.000 0.466 223 G N 1.052 109.907 108.800 0.092 0.000 2.356 223 G HA2 0.306 4.266 3.960 -0.000 0.000 0.273 223 G HA3 0.306 4.266 3.960 -0.000 0.000 0.273 223 G C 0.290 175.247 174.900 0.094 0.000 1.213 223 G CA -0.811 44.336 45.100 0.077 0.000 0.955 223 G HN 0.399 nan 8.290 nan 0.000 0.454 224 R N 2.255 122.800 120.500 0.076 0.000 2.858 224 R HA 0.040 4.380 4.340 -0.000 0.000 0.228 224 R C 1.811 178.148 176.300 0.062 0.000 1.471 224 R CA 0.431 56.574 56.100 0.072 0.000 1.342 224 R CB 0.142 30.477 30.300 0.058 0.000 1.152 224 R HN 0.623 nan 8.270 nan 0.000 0.521 225 G N 0.969 109.810 108.800 0.068 0.000 2.662 225 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.207 225 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.207 225 G C 0.621 175.564 174.900 0.071 0.000 1.154 225 G CA -0.297 44.838 45.100 0.059 0.000 0.837 225 G HN 0.260 nan 8.290 nan 0.000 0.580 226 K N 1.876 122.336 120.400 0.099 0.000 3.226 226 K HA 0.341 4.661 4.320 -0.000 0.000 0.268 226 K C 1.017 177.703 176.600 0.145 0.000 1.217 226 K CA -0.357 56.007 56.287 0.129 0.000 1.242 226 K CB 0.306 32.908 32.500 0.171 0.000 1.389 226 K HN 0.221 nan 8.250 nan 0.000 0.406 227 L N 0.286 121.563 121.223 0.091 0.000 2.478 227 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 227 L C 1.652 178.528 176.870 0.010 0.000 1.140 227 L CA 1.275 56.149 54.840 0.057 0.000 0.842 227 L CB -0.580 41.508 42.059 0.049 0.000 0.953 227 L HN 0.494 nan 8.230 nan 0.000 0.452 228 A N -0.424 122.409 122.820 0.022 0.000 1.975 228 A HA -0.138 4.181 4.320 -0.000 0.000 0.215 228 A C 2.164 179.739 177.584 -0.016 0.000 1.170 228 A CA 0.866 52.904 52.037 0.001 0.000 0.656 228 A CB -0.285 18.725 19.000 0.017 0.000 0.821 228 A HN 0.514 nan 8.150 nan 0.000 0.449 229 E N -0.106 120.103 120.200 0.015 0.000 2.208 229 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 229 E C 2.190 178.686 176.600 -0.174 0.000 0.988 229 E CA 0.812 57.223 56.400 0.019 0.000 0.828 229 E CB -0.078 29.726 29.700 0.172 0.000 0.763 229 E HN 0.602 nan 8.360 nan 0.000 0.478 230 R N 0.189 120.484 120.500 -0.343 0.000 2.062 230 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 230 R C 2.327 178.400 176.300 -0.378 0.000 1.136 230 R CA 1.477 57.162 56.100 -0.691 0.000 0.948 230 R CB -0.045 29.964 30.300 -0.485 0.000 0.845 230 R HN 0.136 nan 8.270 nan 0.000 0.430 231 Q N 0.379 120.048 119.800 -0.218 0.000 2.181 231 Q HA -0.230 4.109 4.340 -0.000 0.000 0.205 231 Q C 1.953 177.873 176.000 -0.132 0.000 0.980 231 Q CA 1.458 57.165 55.803 -0.160 0.000 0.862 231 Q CB -0.117 28.570 28.738 -0.086 0.000 0.905 231 Q HN 0.555 nan 8.270 nan 0.000 0.429 232 Q N 0.707 120.445 119.800 -0.103 0.000 2.049 232 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 232 Q C 2.045 178.020 176.000 -0.043 0.000 0.971 232 Q CA 1.128 56.899 55.803 -0.053 0.000 0.833 232 Q CB 0.110 28.836 28.738 -0.019 0.000 0.896 232 Q HN 0.193 nan 8.270 nan 0.000 0.434 233 K N 0.062 120.433 120.400 -0.049 0.000 2.026 233 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 233 K C 2.159 178.766 176.600 0.012 0.000 1.048 233 K CA 1.011 57.330 56.287 0.053 0.000 0.929 233 K CB -0.142 32.452 32.500 0.157 0.000 0.713 233 K HN 0.151 nan 8.250 nan 0.000 0.439 234 L N 0.757 121.809 121.223 -0.284 0.000 2.131 234 L HA -0.021 4.318 4.340 -0.000 0.000 0.210 234 L C 2.035 178.782 176.870 -0.205 0.000 1.092 234 L CA 2.014 56.501 54.840 -0.589 0.000 0.759 234 L CB -0.882 40.634 42.059 -0.906 0.000 0.903 234 L HN 0.295 nan 8.230 nan 0.000 0.435 235 G N -0.812 107.913 108.800 -0.126 0.000 2.422 235 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 235 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 235 G C 1.688 176.583 174.900 -0.008 0.000 1.146 235 G CA 0.586 45.653 45.100 -0.055 0.000 0.769 235 G HN 0.397 nan 8.290 nan 0.000 0.547 236 R N -0.703 119.812 120.500 0.024 0.000 2.090 236 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 236 R C 2.197 178.564 176.300 0.111 0.000 1.110 236 R CA 0.927 57.064 56.100 0.061 0.000 0.973 236 R CB -0.797 29.548 30.300 0.075 0.000 0.869 236 R HN 0.543 nan 8.270 nan 0.000 0.440 237 H N 0.615 119.697 119.070 0.020 0.000 2.319 237 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 237 H C 1.916 177.258 175.328 0.022 0.000 1.092 237 H CA 1.416 57.494 56.048 0.050 0.000 1.302 237 H CB 0.283 30.097 29.762 0.087 0.000 1.373 237 H HN 0.030 nan 8.280 nan 0.000 0.497 238 M N 0.350 119.923 119.600 -0.045 0.000 2.159 238 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 238 M C 2.698 178.961 176.300 -0.061 0.000 1.063 238 M CA 1.147 56.386 55.300 -0.101 0.000 1.110 238 M CB -1.148 31.426 32.600 -0.044 0.000 1.374 238 M HN 0.382 nan 8.290 nan 0.000 0.411 239 A N -0.311 122.495 122.820 -0.023 0.000 1.929 239 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 239 A C 2.344 179.925 177.584 -0.006 0.000 1.176 239 A CA 1.952 53.982 52.037 -0.013 0.000 0.628 239 A CB -1.008 17.992 19.000 0.001 0.000 0.816 239 A HN 0.443 nan 8.150 nan 0.000 0.444 240 T N 0.592 115.153 114.554 0.010 0.000 2.746 240 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 240 T C 1.805 176.509 174.700 0.006 0.000 1.039 240 T CA 1.496 63.613 62.100 0.028 0.000 1.142 240 T CB -0.367 68.547 68.868 0.077 0.000 0.866 240 T HN 0.370 nan 8.240 nan 0.000 0.444 241 L N 0.614 121.805 121.223 -0.053 0.000 2.027 241 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 241 L C 2.434 179.287 176.870 -0.029 0.000 1.074 241 L CA 1.419 56.220 54.840 -0.065 0.000 0.745 241 L CB -0.617 41.346 42.059 -0.161 0.000 0.898 241 L HN 0.284 nan 8.230 nan 0.000 0.433 242 N N -0.160 118.519 118.700 -0.036 0.000 2.166 242 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 242 N C 1.823 177.322 175.510 -0.018 0.000 1.019 242 N CA 1.107 54.141 53.050 -0.026 0.000 0.856 242 N CB 0.004 38.472 38.487 -0.032 0.000 0.993 242 N HN 0.204 nan 8.380 nan 0.000 0.426 243 K N 0.872 121.263 120.400 -0.014 0.000 2.057 243 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 243 K C 1.763 178.350 176.600 -0.021 0.000 1.050 243 K CA 1.048 57.323 56.287 -0.021 0.000 0.935 243 K CB -0.069 32.424 32.500 -0.012 0.000 0.715 243 K HN 0.183 nan 8.250 nan 0.000 0.439 244 L N -1.193 120.052 121.223 0.036 0.000 2.376 244 L HA 0.173 4.513 4.340 -0.000 0.000 0.219 244 L C 1.963 178.912 176.870 0.131 0.000 1.133 244 L CA 1.558 56.477 54.840 0.131 0.000 0.816 244 L CB -0.529 41.659 42.059 0.215 0.000 0.933 244 L HN 0.035 nan 8.230 nan 0.000 0.449 245 A N -0.356 122.498 122.820 0.056 0.000 1.975 245 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 245 A C 1.860 179.455 177.584 0.019 0.000 1.170 245 A CA 1.169 53.233 52.037 0.045 0.000 0.656 245 A CB -0.477 18.527 19.000 0.006 0.000 0.821 245 A HN 0.444 nan 8.150 nan 0.000 0.449 246 D N -0.273 120.117 120.400 -0.017 0.000 2.103 246 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 246 D C 1.790 178.044 176.300 -0.077 0.000 0.978 246 D CA 0.818 54.795 54.000 -0.038 0.000 0.829 246 D CB -0.319 40.453 40.800 -0.047 0.000 0.981 246 D HN 0.248 nan 8.370 nan 0.000 0.464 247 L N -0.270 120.846 121.223 -0.179 0.000 2.056 247 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 247 L C 1.186 177.787 176.870 -0.450 0.000 1.078 247 L CA 1.546 56.148 54.840 -0.396 0.000 0.749 247 L CB -0.396 41.249 42.059 -0.690 0.000 0.901 247 L HN 0.116 nan 8.230 nan 0.000 0.433 248 Y N -1.640 118.688 120.300 0.046 0.000 2.607 248 Y HA 0.274 4.824 4.550 -0.000 0.000 0.266 248 Y C 1.016 176.984 175.900 0.113 0.000 1.178 248 Y CA -0.874 57.264 58.100 0.064 0.000 1.226 248 Y CB -0.692 37.797 38.460 0.048 0.000 1.144 248 Y HN 0.157 nan 8.280 nan 0.000 0.528 249 N N 1.043 119.859 118.700 0.194 0.000 2.707 249 N HA -0.207 4.533 4.740 -0.000 0.000 0.253 249 N C -0.722 175.009 175.510 0.369 0.000 0.998 249 N CA 0.844 54.037 53.050 0.237 0.000 0.751 249 N CB -1.263 37.394 38.487 0.284 0.000 0.920 249 N HN 0.494 nan 8.380 nan 0.000 0.539 250 C N -0.988 118.455 119.300 0.239 0.000 2.595 250 C HA 0.880 5.340 4.460 -0.000 0.000 0.338 250 C C 0.938 175.921 174.990 -0.011 0.000 1.219 250 C CA -1.720 57.443 59.018 0.242 0.000 1.811 250 C CB 0.493 28.379 27.740 0.244 0.000 2.313 250 C HN 0.486 nan 8.230 nan 0.000 0.499 251 I N 0.951 121.453 120.570 -0.114 0.000 2.440 251 I HA 0.722 4.892 4.170 -0.000 0.000 0.294 251 I C -0.487 175.596 176.117 -0.056 0.000 0.995 251 I CA -0.159 61.025 61.300 -0.192 0.000 1.306 251 I CB 1.103 38.909 38.000 -0.323 0.000 1.407 251 I HN 0.570 nan 8.210 nan 0.000 0.501 252 V N 7.579 127.466 119.914 -0.045 0.000 2.384 252 V HA 0.460 4.580 4.120 -0.000 0.000 0.287 252 V C -0.096 175.996 176.094 -0.003 0.000 1.020 252 V CA -0.543 61.748 62.300 -0.015 0.000 0.850 252 V CB 1.307 33.122 31.823 -0.013 0.000 0.987 252 V HN 0.671 nan 8.190 nan 0.000 0.436 253 L N 6.222 127.448 121.223 0.005 0.000 2.341 253 L HA 0.805 5.145 4.340 -0.000 0.000 0.278 253 L C -0.586 176.310 176.870 0.044 0.000 1.005 253 L CA -0.694 54.174 54.840 0.048 0.000 0.818 253 L CB 2.047 44.133 42.059 0.045 0.000 1.259 253 L HN 0.606 nan 8.230 nan 0.000 0.418 254 V N -0.083 119.895 119.914 0.106 0.000 3.007 254 V HA 0.834 4.954 4.120 -0.000 0.000 0.311 254 V C -0.317 175.887 176.094 0.182 0.000 1.120 254 V CA -0.513 61.851 62.300 0.106 0.000 0.980 254 V CB 1.944 33.823 31.823 0.094 0.000 1.033 254 V HN 0.776 nan 8.190 nan 0.000 0.429 255 T N 0.191 114.844 114.554 0.165 0.000 2.912 255 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 255 T C -0.750 174.068 174.700 0.197 0.000 1.030 255 T CA -0.558 61.669 62.100 0.212 0.000 1.020 255 T CB 1.821 70.800 68.868 0.186 0.000 1.056 255 T HN 1.014 nan 8.240 nan 0.000 0.480 256 N N 1.060 119.896 118.700 0.227 0.000 2.397 256 N HA 0.236 4.976 4.740 -0.000 0.000 0.291 256 N C -1.458 174.183 175.510 0.218 0.000 1.065 256 N CA -0.453 52.724 53.050 0.213 0.000 0.884 256 N CB 2.620 41.258 38.487 0.251 0.000 1.551 256 N HN 0.808 nan 8.380 nan 0.000 0.487 257 Q N 1.766 121.680 119.800 0.189 0.000 2.235 257 Q HA 0.620 4.960 4.340 -0.000 0.000 0.250 257 Q C -0.823 175.282 176.000 0.175 0.000 0.909 257 Q CA -0.671 55.241 55.803 0.182 0.000 0.910 257 Q CB 1.219 30.056 28.738 0.165 0.000 1.223 257 Q HN 0.515 nan 8.270 nan 0.000 0.432 258 V N -0.842 119.171 119.914 0.165 0.000 3.048 258 V HA 0.974 5.094 4.120 -0.000 0.000 0.303 258 V C -1.412 174.743 176.094 0.100 0.000 1.214 258 V CA -0.695 61.691 62.300 0.142 0.000 0.984 258 V CB 1.382 33.309 31.823 0.173 0.000 1.054 258 V HN 0.874 nan 8.190 nan 0.000 0.430 280 H N 0.119 119.157 119.070 -0.054 0.000 2.928 280 H HA 0.852 5.408 4.556 -0.000 0.000 0.371 280 H C 0.258 175.539 175.328 -0.079 0.000 1.186 280 H CA -0.427 55.574 56.048 -0.079 0.000 1.134 280 H CB 1.323 31.024 29.762 -0.101 0.000 1.824 280 H HN 0.991 nan 8.280 nan 0.000 0.554 281 A N 0.958 123.725 122.820 -0.088 0.000 2.409 281 A HA 0.591 4.910 4.320 -0.000 0.000 0.246 281 A C 0.173 177.671 177.584 -0.144 0.000 1.099 281 A CA 0.621 52.579 52.037 -0.132 0.000 0.789 281 A CB -0.584 18.373 19.000 -0.071 0.000 1.053 281 A HN 1.752 nan 8.150 nan 0.000 0.503 282 A N -0.847 121.883 122.820 -0.151 0.000 2.259 282 A HA 0.445 4.765 4.320 -0.000 0.000 0.276 282 A C 0.281 177.757 177.584 -0.181 0.000 0.938 282 A CA 0.436 52.398 52.037 -0.125 0.000 0.750 282 A CB -0.722 18.193 19.000 -0.142 0.000 0.919 282 A HN 1.922 nan 8.150 nan 0.000 0.346 283 T N 0.864 115.340 114.554 -0.131 0.000 2.896 283 T HA 0.333 4.682 4.350 -0.000 0.000 0.263 283 T C 0.180 174.583 174.700 -0.494 0.000 1.050 283 T CA 1.589 63.533 62.100 -0.260 0.000 1.140 283 T CB -0.377 68.394 68.868 -0.162 0.000 0.877 283 T HN 0.650 nan 8.240 nan 0.000 0.457 284 F N 1.497 121.298 119.950 -0.249 0.000 2.482 284 F HA 0.650 5.177 4.527 0.000 0.000 0.331 284 F C 0.187 175.699 175.800 -0.479 0.000 1.115 284 F CA -1.104 56.676 58.000 -0.367 0.000 0.955 284 F CB 1.778 40.626 39.000 -0.255 0.000 1.136 284 F HN -0.207 nan 8.300 nan 0.000 0.452 285 R N 3.126 123.256 120.500 -0.615 0.000 2.575 285 R HA 0.637 4.977 4.340 -0.000 0.000 0.293 285 R C -1.768 174.019 176.300 -0.855 0.000 0.983 285 R CA -0.744 54.925 56.100 -0.718 0.000 0.887 285 R CB 2.001 31.670 30.300 -1.052 0.000 1.184 285 R HN 0.446 nan 8.270 nan 0.000 0.445 286 F N 1.674 121.447 119.950 -0.296 0.000 2.561 286 F HA 0.523 5.049 4.527 -0.000 0.000 0.321 286 F C -0.395 175.559 175.800 0.257 0.000 1.065 286 F CA -0.831 57.166 58.000 -0.007 0.000 0.934 286 F CB 1.384 40.332 39.000 -0.087 0.000 1.215 286 F HN 0.254 nan 8.300 nan 0.000 0.471 287 F N 2.816 123.077 119.950 0.519 0.000 2.426 287 F HA 0.547 5.074 4.527 -0.000 0.000 0.348 287 F C -0.749 175.226 175.800 0.292 0.000 1.124 287 F CA -1.155 57.013 58.000 0.281 0.000 1.008 287 F CB 1.397 40.426 39.000 0.049 0.000 1.139 287 F HN 0.068 nan 8.300 nan 0.000 0.452 288 L N 5.140 126.641 121.223 0.464 0.000 2.317 288 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 288 L C -0.463 176.495 176.870 0.147 0.000 1.024 288 L CA -0.475 54.557 54.840 0.320 0.000 0.810 288 L CB 1.423 43.678 42.059 0.327 0.000 1.240 288 L HN 0.531 nan 8.230 nan 0.000 0.427 289 R N 2.911 123.448 120.500 0.061 0.000 2.673 289 R HA 0.486 4.826 4.340 -0.000 0.000 0.281 289 R C -0.932 175.312 176.300 -0.094 0.000 0.991 289 R CA -1.088 54.989 56.100 -0.038 0.000 0.896 289 R CB 1.942 32.213 30.300 -0.048 0.000 1.201 289 R HN 0.390 nan 8.270 nan 0.000 0.457 290 K N 0.971 121.294 120.400 -0.128 0.000 2.355 290 K HA 0.186 4.506 4.320 -0.000 0.000 0.270 290 K C 0.086 176.613 176.600 -0.122 0.000 1.003 290 K CA 0.220 56.422 56.287 -0.141 0.000 0.957 290 K CB 1.219 33.623 32.500 -0.161 0.000 0.939 290 K HN 0.455 nan 8.250 nan 0.000 0.482 291 S N 0.836 116.462 115.700 -0.123 0.000 2.921 291 S HA 0.353 4.823 4.470 -0.000 0.000 0.315 291 S C -1.089 173.463 174.600 -0.079 0.000 1.087 291 S CA -0.763 57.378 58.200 -0.099 0.000 0.877 291 S CB 0.696 63.826 63.200 -0.116 0.000 1.340 291 S HN 0.299 nan 8.310 nan 0.000 0.622 292 K N 1.465 121.827 120.400 -0.063 0.000 2.326 292 K HA 0.423 4.743 4.320 -0.000 0.000 0.275 292 K C 1.122 177.693 176.600 -0.047 0.000 1.018 292 K CA 1.097 57.357 56.287 -0.046 0.000 0.962 292 K CB -0.034 32.446 32.500 -0.035 0.000 0.953 292 K HN 0.949 nan 8.250 nan 0.000 0.475 293 G N 3.514 112.293 108.800 -0.035 0.000 2.611 293 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.301 293 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.301 293 G C 0.345 175.222 174.900 -0.037 0.000 1.233 293 G CA 0.734 45.816 45.100 -0.029 0.000 0.993 293 G HN 0.733 nan 8.290 nan 0.000 0.553 294 D N 1.157 121.537 120.400 -0.033 0.000 2.349 294 D HA 0.157 4.797 4.640 -0.000 0.000 0.224 294 D C 0.865 177.125 176.300 -0.065 0.000 1.029 294 D CA 0.546 54.527 54.000 -0.032 0.000 0.879 294 D CB 0.103 40.897 40.800 -0.010 0.000 0.906 294 D HN 0.412 nan 8.370 nan 0.000 0.528 295 K N 0.805 121.148 120.400 -0.094 0.000 2.219 295 K HA 0.370 4.690 4.320 -0.000 0.000 0.258 295 K C 0.548 176.988 176.600 -0.268 0.000 1.008 295 K CA -0.287 55.902 56.287 -0.164 0.000 0.928 295 K CB 1.043 33.468 32.500 -0.126 0.000 0.983 295 K HN 0.060 nan 8.250 nan 0.000 0.484 296 R N 0.030 120.234 120.500 -0.494 0.000 2.739 296 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 296 R C -1.186 174.713 176.300 -0.668 0.000 1.010 296 R CA -0.939 54.768 56.100 -0.655 0.000 0.897 296 R CB 1.620 31.272 30.300 -1.081 0.000 1.236 296 R HN 0.292 nan 8.270 nan 0.000 0.466 297 V N 0.845 120.544 119.914 -0.358 0.000 2.577 297 V HA 0.651 4.770 4.120 -0.000 0.000 0.303 297 V C -0.605 175.551 176.094 0.102 0.000 1.042 297 V CA -0.921 61.308 62.300 -0.117 0.000 0.872 297 V CB 1.823 33.625 31.823 -0.036 0.000 0.998 297 V HN 0.876 nan 8.190 nan 0.000 0.423 298 A N 4.571 127.562 122.820 0.285 0.000 2.273 298 A HA 0.735 5.055 4.320 -0.000 0.000 0.315 298 A C -0.371 177.500 177.584 0.478 0.000 1.256 298 A CA -0.609 51.709 52.037 0.468 0.000 0.851 298 A CB 0.776 20.101 19.000 0.542 0.000 1.172 298 A HN 0.770 nan 8.150 nan 0.000 0.508 299 K N 3.285 123.982 120.400 0.496 0.000 2.265 299 K HA 0.479 4.799 4.320 -0.000 0.000 0.267 299 K C -1.230 175.579 176.600 0.348 0.000 0.994 299 K CA -0.689 55.834 56.287 0.393 0.000 0.860 299 K CB 0.938 33.630 32.500 0.319 0.000 1.099 299 K HN 0.586 nan 8.250 nan 0.000 0.448 300 L N 6.846 128.139 121.223 0.116 0.000 2.342 300 L HA 0.167 4.507 4.340 -0.000 0.000 0.285 300 L C -0.338 176.431 176.870 -0.169 0.000 1.095 300 L CA 0.114 54.733 54.840 -0.368 0.000 0.843 300 L CB 0.058 41.862 42.059 -0.425 0.000 1.201 300 L HN 0.735 nan 8.230 nan 0.000 0.445 301 Y N 0.936 121.031 120.300 -0.341 0.000 2.467 301 Y HA 0.558 5.108 4.550 -0.000 0.000 0.250 301 Y C -0.292 175.440 175.900 -0.280 0.000 1.155 301 Y CA -1.049 56.901 58.100 -0.250 0.000 1.249 301 Y CB 0.053 38.376 38.460 -0.229 0.000 1.146 301 Y HN 0.532 nan 8.280 nan 0.000 0.524 302 D N 0.533 120.483 120.400 -0.750 0.000 2.977 302 D HA 0.494 5.134 4.640 -0.000 0.000 0.220 302 D C -1.302 174.637 176.300 -0.602 0.000 1.267 302 D CA -0.079 53.541 54.000 -0.633 0.000 0.884 302 D CB 1.990 42.339 40.800 -0.752 0.000 1.667 302 D HN 0.237 nan 8.370 nan 0.000 0.536 303 S N 2.408 117.802 115.700 -0.510 0.000 2.611 303 S HA 0.564 5.034 4.470 -0.000 0.000 0.270 303 S C -2.479 171.865 174.600 -0.427 0.000 1.131 303 S CA -0.805 57.005 58.200 -0.651 0.000 0.826 303 S CB 1.752 64.583 63.200 -0.615 0.000 1.095 303 S HN 0.240 nan 8.310 nan 0.000 0.461 304 P HA 0.101 nan 4.420 nan 0.000 0.226 304 P C 0.626 177.917 177.300 -0.016 0.000 1.161 304 P CA 1.097 64.096 63.100 -0.169 0.000 0.804 304 P CB -0.228 31.374 31.700 -0.164 0.000 0.829 305 H N -2.310 116.651 119.070 -0.183 0.000 3.398 305 H HA 0.378 4.934 4.556 -0.000 0.000 0.260 305 H C 0.120 175.412 175.328 -0.060 0.000 1.189 305 H CA -0.422 55.570 56.048 -0.092 0.000 1.145 305 H CB -0.415 29.318 29.762 -0.048 0.000 1.599 305 H HN 0.067 nan 8.280 nan 0.000 0.615 306 L N 3.165 124.162 121.223 -0.378 0.000 2.334 306 L HA 0.512 4.851 4.340 -0.000 0.000 0.273 306 L C -2.271 174.493 176.870 -0.176 0.000 1.013 306 L CA -2.044 52.621 54.840 -0.292 0.000 0.816 306 L CB 2.129 44.016 42.059 -0.287 0.000 1.278 306 L HN -0.013 nan 8.230 nan 0.000 0.431 307 P HA 0.161 nan 4.420 nan 0.000 0.278 307 P C -1.302 175.954 177.300 -0.072 0.000 1.258 307 P CA -0.630 62.422 63.100 -0.080 0.000 0.811 307 P CB 0.889 32.560 31.700 -0.048 0.000 1.063 308 D N 0.290 120.659 120.400 -0.052 0.000 2.425 308 D HA 0.221 4.861 4.640 -0.000 0.000 0.247 308 D C 0.241 176.546 176.300 0.008 0.000 1.147 308 D CA 0.901 54.886 54.000 -0.025 0.000 0.879 308 D CB 0.608 41.413 40.800 0.008 0.000 1.179 308 D HN 0.202 nan 8.370 nan 0.000 0.456 309 S N 1.263 116.982 115.700 0.033 0.000 2.625 309 S HA 0.383 4.852 4.470 -0.000 0.000 0.271 309 S C -1.408 173.264 174.600 0.120 0.000 1.161 309 S CA -0.775 57.464 58.200 0.065 0.000 0.820 309 S CB 1.598 64.831 63.200 0.055 0.000 1.137 309 S HN 0.344 nan 8.310 nan 0.000 0.470 310 E N 0.391 120.666 120.200 0.125 0.000 2.277 310 E HA 0.736 5.086 4.350 -0.000 0.000 0.266 310 E C -1.157 175.541 176.600 0.163 0.000 0.901 310 E CA -1.105 55.392 56.400 0.161 0.000 0.782 310 E CB 2.059 31.831 29.700 0.120 0.000 1.228 310 E HN 0.640 nan 8.360 nan 0.000 0.424 311 A N 1.618 124.562 122.820 0.207 0.000 2.398 311 A HA 0.550 4.870 4.320 -0.000 0.000 0.301 311 A C -0.977 176.720 177.584 0.189 0.000 1.041 311 A CA -0.630 51.530 52.037 0.205 0.000 0.711 311 A CB 1.232 20.387 19.000 0.258 0.000 1.240 311 A HN 0.316 nan 8.150 nan 0.000 0.420 312 V N 2.997 122.985 119.914 0.123 0.000 2.427 312 V HA 0.738 4.858 4.120 -0.000 0.000 0.286 312 V C -0.352 175.807 176.094 0.108 0.000 1.034 312 V CA -0.124 62.190 62.300 0.023 0.000 0.893 312 V CB 0.375 32.196 31.823 -0.003 0.000 0.982 312 V HN 0.938 nan 8.190 nan 0.000 0.452 313 F N 2.859 122.818 119.950 0.015 0.000 2.715 313 F HA 0.896 5.423 4.527 -0.000 0.000 0.318 313 F C -0.697 175.100 175.800 -0.005 0.000 1.141 313 F CA -1.587 56.414 58.000 0.002 0.000 0.950 313 F CB 1.644 40.639 39.000 -0.008 0.000 1.374 313 F HN 0.269 nan 8.300 nan 0.000 0.477 314 R N 0.986 121.662 120.500 0.294 0.000 2.854 314 R HA 0.736 5.076 4.340 -0.000 0.000 0.271 314 R C -1.596 174.853 176.300 0.248 0.000 0.994 314 R CA -1.131 55.056 56.100 0.146 0.000 0.945 314 R CB 2.410 32.751 30.300 0.069 0.000 1.194 314 R HN 0.525 nan 8.270 nan 0.000 0.476 315 I N 1.883 122.533 120.570 0.134 0.000 2.389 315 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 315 I C 0.190 176.335 176.117 0.048 0.000 0.999 315 I CA -0.286 61.078 61.300 0.107 0.000 1.129 315 I CB 1.428 39.485 38.000 0.095 0.000 1.288 315 I HN 0.821 nan 8.210 nan 0.000 0.444 316 T N 1.229 115.803 114.554 0.032 0.000 2.754 316 T HA 0.367 4.717 4.350 -0.000 0.000 0.296 316 T C 0.809 175.509 174.700 0.000 0.000 1.205 316 T CA -0.608 61.501 62.100 0.014 0.000 1.009 316 T CB 1.611 70.489 68.868 0.016 0.000 1.368 316 T HN 0.439 nan 8.240 nan 0.000 0.509 317 E N 0.797 120.994 120.200 -0.005 0.000 2.171 317 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 317 E C 1.699 178.291 176.600 -0.013 0.000 0.997 317 E CA 1.403 57.794 56.400 -0.014 0.000 0.810 317 E CB -0.382 29.311 29.700 -0.012 0.000 0.738 317 E HN 0.663 nan 8.360 nan 0.000 0.467 318 K N -0.044 120.353 120.400 -0.005 0.000 2.103 318 K HA 0.115 4.435 4.320 -0.000 0.000 0.204 318 K C 1.078 177.675 176.600 -0.006 0.000 1.052 318 K CA 0.870 57.155 56.287 -0.004 0.000 0.945 318 K CB 0.060 32.561 32.500 0.003 0.000 0.722 318 K HN 0.290 nan 8.250 nan 0.000 0.443 319 G N 0.448 109.246 108.800 -0.002 0.000 2.217 319 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.173 319 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.173 319 G C -1.205 173.700 174.900 0.008 0.000 1.324 319 G CA -0.839 44.258 45.100 -0.006 0.000 1.225 319 G HN 0.031 nan 8.290 nan 0.000 0.494 320 I N 2.748 123.309 120.570 -0.015 0.000 2.365 320 I HA 0.529 4.698 4.170 -0.000 0.000 0.291 320 I C 0.632 176.751 176.117 0.003 0.000 1.004 320 I CA -0.137 61.152 61.300 -0.018 0.000 1.311 320 I CB 1.402 39.299 38.000 -0.173 0.000 1.401 320 I HN 0.787 nan 8.210 nan 0.000 0.491 321 Q N 4.066 123.908 119.800 0.070 0.000 2.707 321 Q HA 0.706 5.046 4.340 -0.000 0.000 0.307 321 Q C -1.540 174.526 176.000 0.110 0.000 0.934 321 Q CA -1.010 54.832 55.803 0.065 0.000 0.753 321 Q CB 2.448 31.215 28.738 0.048 0.000 1.478 321 Q HN 0.501 nan 8.270 nan 0.000 0.458 322 D N 0.000 120.448 120.400 0.081 0.000 6.856 322 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 322 D CA 0.000 54.050 54.000 0.084 0.000 0.868 322 D CB 0.000 40.863 40.800 0.105 0.000 0.688 322 D HN 0.000 nan 8.370 nan 0.000 0.683