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 2qpx_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXDDLSEFVD QVPLLDHHCH FLIDGKVPNR DDRLAQVSTE ADKDYPLADT DATA SEQUENCE KNRLAYHGFL ALAKEFALDA NNPLAAXNDP GYATYNHRIF GHFHFKELLI DATA SEQUENCE DTGFVPDDPI LDLDQTAELV GIPVKAIYRL ETHAEDFXLE HDNFAAWWQA DATA SEQUENCE FSNDVKQAKA HGFVGFXSIA AYRVGLHLEP VNVIEAAAGF DTWKHSGEKR DATA SEQUENCE LTSKPLIDYX LYHVAPFIIA QDXPLQFHVG YGDADTDXYL GNPLLXRDYL DATA SEQUENCE KAFTKKGLKV VLLHCYPYHR EAGYLASVFP NLYFDISLLD NLGPSGASRV DATA SEQUENCE FNEAVELAPY TRILFASDAS TYPEXYGLAA RQFKQALVAH FNQLPFVDLA DATA SEQUENCE QKKAWINAIC WQTSAKLYHQ ERELRV 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 0 G C 0.000 174.880 174.900 -0.033 0.000 0.946 0 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 3 D N 1.098 121.503 120.400 0.009 0.000 2.420 3 D HA 0.348 4.990 4.640 0.003 0.000 0.255 3 D C 0.144 176.468 176.300 0.040 0.000 1.185 3 D CA -0.310 53.706 54.000 0.026 0.000 0.904 3 D CB 0.720 41.534 40.800 0.023 0.000 1.102 3 D HN 0.225 nan 8.370 nan 0.000 0.534 4 L N 1.984 123.245 121.223 0.063 0.000 2.592 4 L HA 0.084 4.425 4.340 0.003 0.000 0.227 4 L C 2.024 178.975 176.870 0.136 0.000 1.127 4 L CA 0.051 54.955 54.840 0.105 0.000 0.884 4 L CB 0.079 42.210 42.059 0.119 0.000 1.065 4 L HN 0.240 nan 8.230 nan 0.000 0.457 5 S N 0.255 116.008 115.700 0.088 0.000 2.359 5 S HA -0.291 4.180 4.470 0.003 0.000 0.223 5 S C 1.888 176.521 174.600 0.054 0.000 1.039 5 S CA 1.958 60.198 58.200 0.068 0.000 1.042 5 S CB -0.129 63.101 63.200 0.050 0.000 0.915 5 S HN 0.557 nan 8.310 nan 0.000 0.439 6 E N -0.004 120.230 120.200 0.058 0.000 2.106 6 E HA -0.173 4.179 4.350 0.003 0.000 0.192 6 E C 1.891 178.505 176.600 0.023 0.000 0.984 6 E CA 0.884 57.302 56.400 0.029 0.000 0.806 6 E CB -0.224 29.497 29.700 0.035 0.000 0.750 6 E HN 0.500 nan 8.360 nan 0.000 0.458 7 F N 0.997 120.920 119.950 -0.045 0.000 2.095 7 F HA -0.203 4.325 4.527 0.002 0.000 0.298 7 F C 2.037 177.797 175.800 -0.067 0.000 1.104 7 F CA 1.478 59.445 58.000 -0.055 0.000 1.232 7 F CB -0.403 38.571 39.000 -0.043 0.000 0.987 7 F HN -0.107 nan 8.300 nan 0.000 0.475 8 V N 0.455 120.348 119.914 -0.035 0.000 2.515 8 V HA -0.267 3.855 4.120 0.003 0.000 0.250 8 V C 2.027 178.001 176.094 -0.200 0.000 1.058 8 V CA 1.995 64.223 62.300 -0.119 0.000 1.064 8 V CB -0.780 31.070 31.823 0.045 0.000 0.675 8 V HN 0.290 nan 8.190 nan 0.000 0.461 9 D N -0.138 120.163 120.400 -0.165 0.000 2.158 9 D HA -0.164 4.478 4.640 0.003 0.000 0.197 9 D C 2.226 178.261 176.300 -0.442 0.000 0.995 9 D CA 1.157 55.032 54.000 -0.209 0.000 0.846 9 D CB -0.116 40.595 40.800 -0.149 0.000 0.941 9 D HN 0.399 nan 8.370 nan 0.000 0.456 10 Q N -0.039 119.442 119.800 -0.532 0.000 2.425 10 Q HA 0.082 4.423 4.340 0.003 0.000 0.204 10 Q C 0.458 176.015 176.000 -0.739 0.000 0.933 10 Q CA -0.107 55.233 55.803 -0.771 0.000 0.939 10 Q CB 0.340 28.790 28.738 -0.480 0.000 1.044 10 Q HN 0.141 nan 8.270 nan 0.000 0.513 11 V N 4.212 123.772 119.914 -0.591 0.000 2.572 11 V HA 0.124 4.246 4.120 0.003 0.000 0.291 11 V C -2.189 173.747 176.094 -0.264 0.000 1.039 11 V CA -1.662 60.391 62.300 -0.412 0.000 1.055 11 V CB 1.009 32.653 31.823 -0.299 0.000 0.969 11 V HN 0.061 nan 8.190 nan 0.000 0.482 12 P HA 0.265 nan 4.420 nan 0.000 0.274 12 P C -1.116 176.150 177.300 -0.056 0.000 1.237 12 P CA -0.150 62.834 63.100 -0.193 0.000 0.793 12 P CB 0.705 32.163 31.700 -0.404 0.000 0.977 13 L N 1.812 122.977 121.223 -0.098 0.000 2.341 13 L HA 0.486 4.828 4.340 0.003 0.000 0.278 13 L C 0.143 177.078 176.870 0.108 0.000 1.005 13 L CA -0.775 53.988 54.840 -0.129 0.000 0.818 13 L CB 1.829 43.442 42.059 -0.743 0.000 1.259 13 L HN 0.240 nan 8.230 nan 0.000 0.418 14 L N 3.395 124.785 121.223 0.278 0.000 2.277 14 L HA 0.366 4.708 4.340 0.003 0.000 0.284 14 L C -0.576 176.521 176.870 0.379 0.000 1.028 14 L CA -0.410 54.608 54.840 0.296 0.000 0.835 14 L CB 1.035 43.265 42.059 0.285 0.000 1.215 14 L HN 0.554 nan 8.230 nan 0.000 0.425 15 D N 2.990 123.631 120.400 0.400 0.000 2.422 15 D HA 0.017 4.659 4.640 0.003 0.000 0.227 15 D C 1.052 177.399 176.300 0.079 0.000 1.190 15 D CA -0.063 54.151 54.000 0.356 0.000 0.905 15 D CB 0.725 41.881 40.800 0.594 0.000 1.034 15 D HN 0.683 nan 8.370 nan 0.000 0.507 16 H N 1.679 120.718 119.070 -0.050 0.000 2.547 16 H HA 0.050 4.608 4.556 0.003 0.000 0.272 16 H C -0.225 175.012 175.328 -0.153 0.000 0.989 16 H CA 0.468 56.388 56.048 -0.214 0.000 1.214 16 H CB 0.057 29.708 29.762 -0.185 0.000 1.389 16 H HN 0.323 nan 8.280 nan 0.000 0.577 17 H N 0.038 118.636 119.070 -0.787 0.000 3.181 17 H HA 0.462 5.019 4.556 0.003 0.000 0.331 17 H C -1.206 173.867 175.328 -0.425 0.000 0.988 17 H CA -0.690 54.994 56.048 -0.606 0.000 1.449 17 H CB 0.656 30.018 29.762 -0.667 0.000 1.749 17 H HN 0.517 nan 8.280 nan 0.000 0.501 18 C N 2.666 121.420 119.300 -0.910 0.000 3.251 18 C HA 0.710 5.172 4.460 0.003 0.000 0.376 18 C C -1.378 173.070 174.990 -0.903 0.000 1.791 18 C CA -0.753 57.834 59.018 -0.719 0.000 1.163 18 C CB 1.833 29.469 27.740 -0.174 0.000 2.128 18 C HN 0.855 nan 8.230 nan 0.000 0.429 19 H N -1.254 117.738 119.070 -0.131 0.000 2.985 19 H HA 0.563 5.120 4.556 0.003 0.000 0.360 19 H C -1.085 174.288 175.328 0.076 0.000 1.221 19 H CA -0.334 55.668 56.048 -0.076 0.000 1.121 19 H CB 1.152 30.972 29.762 0.096 0.000 1.854 19 H HN 0.618 nan 8.280 nan 0.000 0.551 20 F N 1.003 121.119 119.950 0.277 0.000 2.602 20 F HA -0.006 4.522 4.527 0.003 0.000 0.367 20 F C 1.136 177.042 175.800 0.176 0.000 1.126 20 F CA 0.156 58.248 58.000 0.153 0.000 1.321 20 F CB 0.046 39.077 39.000 0.052 0.000 1.094 20 F HN 0.109 nan 8.300 nan 0.000 0.594 21 L N 3.863 125.304 121.223 0.363 0.000 2.456 21 L HA 0.439 4.781 4.340 0.003 0.000 0.257 21 L C 0.327 177.302 176.870 0.175 0.000 1.162 21 L CA -0.767 54.234 54.840 0.269 0.000 0.808 21 L CB 0.756 42.963 42.059 0.247 0.000 1.136 21 L HN 0.549 nan 8.230 nan 0.000 0.466 22 I N -2.674 117.965 120.570 0.116 0.000 2.822 22 I HA 0.393 4.565 4.170 0.003 0.000 0.312 22 I C -0.195 175.990 176.117 0.114 0.000 1.011 22 I CA -0.885 60.430 61.300 0.025 0.000 1.105 22 I CB 1.460 39.379 38.000 -0.136 0.000 1.291 22 I HN 0.411 nan 8.210 nan 0.000 0.474 23 D N 3.204 123.612 120.400 0.014 0.000 2.502 23 D HA 0.034 4.675 4.640 0.003 0.000 0.249 23 D C 1.288 177.464 176.300 -0.207 0.000 1.188 23 D CA 0.696 54.671 54.000 -0.043 0.000 0.890 23 D CB 1.476 42.243 40.800 -0.056 0.000 1.140 23 D HN 0.798 nan 8.370 nan 0.000 0.505 24 G N 3.909 112.301 108.800 -0.680 0.000 2.498 24 G HA2 -0.232 3.730 3.960 0.003 0.000 0.219 24 G HA3 -0.232 3.730 3.960 0.003 0.000 0.219 24 G C 1.269 175.891 174.900 -0.463 0.000 1.119 24 G CA 0.298 44.651 45.100 -1.244 0.000 0.766 24 G HN 0.527 nan 8.290 nan 0.000 0.552 25 K N 0.016 120.259 120.400 -0.261 0.000 2.459 25 K HA 0.145 4.467 4.320 0.003 0.000 0.193 25 K C 0.483 177.037 176.600 -0.077 0.000 1.030 25 K CA -0.337 55.870 56.287 -0.133 0.000 1.026 25 K CB 0.406 32.852 32.500 -0.090 0.000 0.809 25 K HN 0.127 nan 8.250 nan 0.000 0.504 26 V N 4.087 123.967 119.914 -0.056 0.000 2.557 26 V HA -0.072 4.050 4.120 0.003 0.000 0.301 26 V C -0.992 175.111 176.094 0.015 0.000 1.026 26 V CA -0.501 61.794 62.300 -0.008 0.000 1.137 26 V CB 0.779 32.612 31.823 0.017 0.000 0.917 26 V HN 0.206 nan 8.190 nan 0.000 0.484 27 P HA -0.067 nan 4.420 nan 0.000 0.220 27 P C 0.441 177.759 177.300 0.030 0.000 1.152 27 P CA 0.766 63.872 63.100 0.009 0.000 0.812 27 P CB 0.068 31.769 31.700 0.003 0.000 0.792 28 N N 0.577 119.308 118.700 0.052 0.000 3.209 28 N HA 0.050 4.792 4.740 0.003 0.000 0.309 28 N C 1.159 176.740 175.510 0.118 0.000 1.384 28 N CA -0.307 52.783 53.050 0.068 0.000 1.173 28 N CB -0.333 38.189 38.487 0.058 0.000 1.460 28 N HN 0.087 nan 8.380 nan 0.000 0.534 29 R N 0.469 121.038 120.500 0.115 0.000 2.083 29 R HA -0.187 4.155 4.340 0.003 0.000 0.237 29 R C 1.170 177.579 176.300 0.182 0.000 1.137 29 R CA 1.610 57.808 56.100 0.163 0.000 0.951 29 R CB -0.153 30.144 30.300 -0.005 0.000 0.851 29 R HN 0.256 nan 8.270 nan 0.000 0.434 30 D N 0.407 120.886 120.400 0.132 0.000 2.104 30 D HA -0.183 4.459 4.640 0.003 0.000 0.194 30 D C 1.237 177.674 176.300 0.229 0.000 0.994 30 D CA 1.685 55.798 54.000 0.189 0.000 0.830 30 D CB -0.321 40.569 40.800 0.151 0.000 0.959 30 D HN 0.233 nan 8.370 nan 0.000 0.452 31 D N -0.456 120.038 120.400 0.156 0.000 2.144 31 D HA -0.095 4.547 4.640 0.003 0.000 0.200 31 D C 2.231 178.627 176.300 0.160 0.000 0.978 31 D CA 0.550 54.620 54.000 0.116 0.000 0.833 31 D CB -0.063 40.782 40.800 0.075 0.000 0.961 31 D HN 0.159 nan 8.370 nan 0.000 0.470 32 R N 0.280 120.909 120.500 0.214 0.000 2.092 32 R HA -0.006 4.336 4.340 0.003 0.000 0.231 32 R C 2.533 179.041 176.300 0.347 0.000 1.119 32 R CA 0.267 56.510 56.100 0.238 0.000 0.970 32 R CB -0.899 29.538 30.300 0.228 0.000 0.864 32 R HN 0.306 nan 8.270 nan 0.000 0.440 33 L N 0.277 121.788 121.223 0.481 0.000 2.017 33 L HA -0.165 4.177 4.340 0.003 0.000 0.208 33 L C 2.632 179.835 176.870 0.555 0.000 1.073 33 L CA 1.486 56.672 54.840 0.577 0.000 0.745 33 L CB -0.612 41.754 42.059 0.512 0.000 0.894 33 L HN 0.155 nan 8.230 nan 0.000 0.432 34 A N -0.580 122.472 122.820 0.387 0.000 1.883 34 A HA -0.277 4.045 4.320 0.003 0.000 0.217 34 A C 2.186 179.838 177.584 0.114 0.000 1.186 34 A CA 1.765 53.886 52.037 0.139 0.000 0.624 34 A CB -0.528 18.340 19.000 -0.220 0.000 0.822 34 A HN 0.492 nan 8.150 nan 0.000 0.444 35 Q N -1.138 118.739 119.800 0.129 0.000 2.124 35 Q HA -0.065 4.277 4.340 0.003 0.000 0.202 35 Q C 1.939 178.007 176.000 0.114 0.000 0.977 35 Q CA 1.406 57.266 55.803 0.095 0.000 0.850 35 Q CB -0.261 28.529 28.738 0.085 0.000 0.901 35 Q HN 0.457 nan 8.270 nan 0.000 0.429 36 V N 0.747 120.780 119.914 0.197 0.000 3.306 36 V HA -0.097 4.025 4.120 0.003 0.000 0.264 36 V C 1.803 178.054 176.094 0.261 0.000 1.149 36 V CA 1.424 63.849 62.300 0.208 0.000 1.143 36 V CB -0.086 31.873 31.823 0.227 0.000 0.767 36 V HN 0.442 nan 8.190 nan 0.000 0.476 37 S N -1.348 114.502 115.700 0.250 0.000 2.607 37 S HA 0.035 4.506 4.470 0.003 0.000 0.224 37 S C 0.815 175.396 174.600 -0.032 0.000 0.969 37 S CA 0.735 58.935 58.200 0.000 0.000 0.927 37 S CB -0.194 62.830 63.200 -0.294 0.000 0.772 37 S HN 0.589 nan 8.310 nan 0.000 0.533 38 T N -0.122 114.433 114.554 0.000 0.000 2.868 38 T HA 0.367 4.718 4.350 0.003 0.000 0.306 38 T C -0.624 174.038 174.700 -0.064 0.000 1.224 38 T CA -0.564 61.520 62.100 -0.027 0.000 1.012 38 T CB 1.669 70.487 68.868 -0.084 0.000 1.221 38 T HN -0.054 nan 8.240 nan 0.000 0.499 39 E N 0.977 121.134 120.200 -0.072 0.000 2.489 39 E HA 0.288 4.640 4.350 0.003 0.000 0.193 39 E C 0.897 177.440 176.600 -0.094 0.000 1.057 39 E CA -0.016 56.321 56.400 -0.105 0.000 0.866 39 E CB 0.009 29.633 29.700 -0.128 0.000 0.916 39 E HN 0.687 nan 8.360 nan 0.000 0.500 40 A N 2.410 125.125 122.820 -0.176 0.000 2.466 40 A HA 0.120 4.442 4.320 0.003 0.000 0.238 40 A C 0.364 177.893 177.584 -0.091 0.000 1.074 40 A CA -0.238 51.645 52.037 -0.257 0.000 0.774 40 A CB 0.175 18.715 19.000 -0.767 0.000 1.015 40 A HN 0.116 nan 8.150 nan 0.000 0.498 41 D N -0.176 120.218 120.400 -0.010 0.000 2.451 41 D HA 0.273 4.915 4.640 0.003 0.000 0.259 41 D C 1.129 177.475 176.300 0.078 0.000 1.201 41 D CA 0.084 54.106 54.000 0.036 0.000 1.028 41 D CB 0.444 41.270 40.800 0.044 0.000 1.095 41 D HN 0.367 nan 8.370 nan 0.000 0.539 42 K N -1.079 119.359 120.400 0.063 0.000 2.360 42 K HA -0.085 4.236 4.320 0.003 0.000 0.201 42 K C 0.655 177.301 176.600 0.077 0.000 1.046 42 K CA 1.219 57.545 56.287 0.065 0.000 0.945 42 K CB -0.857 31.669 32.500 0.043 0.000 0.750 42 K HN 0.489 nan 8.250 nan 0.000 0.464 43 D N -0.960 119.493 120.400 0.089 0.000 2.348 43 D HA 0.100 4.742 4.640 0.003 0.000 0.211 43 D C 0.036 176.401 176.300 0.108 0.000 0.998 43 D CA 0.097 54.144 54.000 0.079 0.000 0.873 43 D CB -0.283 40.556 40.800 0.065 0.000 0.925 43 D HN 0.523 nan 8.370 nan 0.000 0.524 44 Y N 2.137 122.444 120.300 0.012 0.000 2.425 44 Y HA 0.222 4.773 4.550 0.003 0.000 0.331 44 Y C -2.114 173.788 175.900 0.004 0.000 1.157 44 Y CA -2.002 56.105 58.100 0.012 0.000 1.372 44 Y CB 0.604 39.075 38.460 0.019 0.000 1.253 44 Y HN -0.197 nan 8.280 nan 0.000 0.536 45 P HA -0.033 nan 4.420 nan 0.000 0.267 45 P C 0.289 177.579 177.300 -0.018 0.000 1.209 45 P CA 0.040 63.043 63.100 -0.162 0.000 0.763 45 P CB 0.812 32.362 31.700 -0.249 0.000 0.816 46 L N 4.589 125.825 121.223 0.021 0.000 2.131 46 L HA -0.163 4.178 4.340 0.003 0.000 0.210 46 L C 2.148 179.003 176.870 -0.024 0.000 1.092 46 L CA 2.028 56.882 54.840 0.023 0.000 0.759 46 L CB -1.166 40.888 42.059 -0.008 0.000 0.903 46 L HN 0.432 nan 8.230 nan 0.000 0.435 47 A N -0.869 121.931 122.820 -0.034 0.000 1.940 47 A HA -0.224 4.098 4.320 0.003 0.000 0.219 47 A C 1.945 179.526 177.584 -0.006 0.000 1.176 47 A CA 1.940 53.957 52.037 -0.032 0.000 0.631 47 A CB -0.677 18.308 19.000 -0.026 0.000 0.814 47 A HN 0.498 nan 8.150 nan 0.000 0.446 48 D N -0.646 119.753 120.400 -0.002 0.000 2.117 48 D HA -0.075 4.567 4.640 0.003 0.000 0.198 48 D C 2.000 178.405 176.300 0.174 0.000 0.982 48 D CA 1.768 55.804 54.000 0.059 0.000 0.828 48 D CB -0.860 39.905 40.800 -0.059 0.000 0.967 48 D HN 0.365 nan 8.370 nan 0.000 0.464 49 T N 0.975 115.671 114.554 0.236 0.000 2.720 49 T HA -0.148 4.204 4.350 0.003 0.000 0.268 49 T C 1.680 176.380 174.700 0.000 0.000 1.037 49 T CA 1.197 63.377 62.100 0.133 0.000 1.144 49 T CB -0.101 68.817 68.868 0.084 0.000 0.864 49 T HN 0.173 nan 8.240 nan 0.000 0.444 50 K N 0.857 121.191 120.400 -0.110 0.000 2.525 50 K HA 0.098 4.419 4.320 0.003 0.000 0.192 50 K C 1.126 177.827 176.600 0.169 0.000 1.029 50 K CA 0.476 56.625 56.287 -0.229 0.000 1.029 50 K CB -0.001 32.200 32.500 -0.498 0.000 0.814 50 K HN 0.312 nan 8.250 nan 0.000 0.503 51 N N 0.516 119.311 118.700 0.158 0.000 2.251 51 N HA 0.057 4.799 4.740 0.003 0.000 0.217 51 N C -0.616 174.994 175.510 0.166 0.000 1.124 51 N CA -0.159 53.005 53.050 0.191 0.000 0.843 51 N CB 0.517 39.072 38.487 0.113 0.000 1.024 51 N HN -0.011 nan 8.380 nan 0.000 0.501 52 R N 0.155 120.767 120.500 0.186 0.000 2.573 52 R HA 0.232 4.574 4.340 0.003 0.000 0.272 52 R C 0.695 177.119 176.300 0.207 0.000 1.009 52 R CA -0.769 55.416 56.100 0.142 0.000 1.059 52 R CB 1.086 31.440 30.300 0.090 0.000 1.112 52 R HN 0.010 nan 8.270 nan 0.000 0.517 53 L N 2.292 123.584 121.223 0.116 0.000 2.141 53 L HA -0.070 4.271 4.340 0.003 0.000 0.209 53 L C 2.039 178.965 176.870 0.094 0.000 1.094 53 L CA 1.898 56.806 54.840 0.114 0.000 0.763 53 L CB -0.615 41.473 42.059 0.048 0.000 0.908 53 L HN 0.899 nan 8.230 nan 0.000 0.437 54 A N -1.075 121.744 122.820 -0.001 0.000 1.883 54 A HA -0.331 3.991 4.320 0.003 0.000 0.217 54 A C 2.301 179.675 177.584 -0.351 0.000 1.186 54 A CA 2.033 53.960 52.037 -0.184 0.000 0.624 54 A CB -1.256 17.589 19.000 -0.258 0.000 0.822 54 A HN 0.606 nan 8.150 nan 0.000 0.444 55 Y N 0.477 120.585 120.300 -0.319 0.000 2.128 55 Y HA -0.283 4.269 4.550 0.003 0.000 0.284 55 Y C 2.473 178.269 175.900 -0.174 0.000 1.154 55 Y CA 2.228 60.147 58.100 -0.301 0.000 1.149 55 Y CB -0.583 37.757 38.460 -0.199 0.000 0.976 55 Y HN 0.525 nan 8.280 nan 0.000 0.505 56 H N -1.041 117.957 119.070 -0.121 0.000 2.421 56 H HA -0.084 4.473 4.556 0.003 0.000 0.298 56 H C 2.380 177.666 175.328 -0.071 0.000 1.087 56 H CA 1.146 57.105 56.048 -0.148 0.000 1.330 56 H CB -0.691 29.058 29.762 -0.021 0.000 1.388 56 H HN 0.552 nan 8.280 nan 0.000 0.526 57 G N 0.835 109.687 108.800 0.087 0.000 2.418 57 G HA2 -0.226 3.735 3.960 0.003 0.000 0.217 57 G HA3 -0.226 3.735 3.960 0.003 0.000 0.217 57 G C 1.346 176.396 174.900 0.250 0.000 1.158 57 G CA 0.373 45.561 45.100 0.145 0.000 0.771 57 G HN 0.195 nan 8.290 nan 0.000 0.545 58 F N 0.910 120.862 119.950 0.002 0.000 2.134 58 F HA 0.082 4.611 4.527 0.002 0.000 0.299 58 F C 2.695 178.466 175.800 -0.048 0.000 1.097 58 F CA 0.160 58.164 58.000 0.007 0.000 1.264 58 F CB -0.995 38.023 39.000 0.030 0.000 1.001 58 F HN 0.045 nan 8.300 nan 0.000 0.479 59 L N -0.578 120.640 121.223 -0.007 0.000 2.083 59 L HA -0.209 4.133 4.340 0.003 0.000 0.209 59 L C 2.675 179.552 176.870 0.012 0.000 1.083 59 L CA 1.185 55.967 54.840 -0.097 0.000 0.752 59 L CB -1.000 40.871 42.059 -0.314 0.000 0.899 59 L HN 0.100 nan 8.230 nan 0.000 0.433 60 A N -0.042 122.807 122.820 0.049 0.000 1.902 60 A HA -0.192 4.130 4.320 0.003 0.000 0.217 60 A C 2.148 179.793 177.584 0.102 0.000 1.181 60 A CA 1.536 53.615 52.037 0.070 0.000 0.623 60 A CB -0.558 18.495 19.000 0.088 0.000 0.818 60 A HN 0.280 nan 8.150 nan 0.000 0.443 61 L N -0.538 120.790 121.223 0.175 0.000 2.093 61 L HA -0.061 4.281 4.340 0.003 0.000 0.208 61 L C 2.981 180.037 176.870 0.310 0.000 1.085 61 L CA 1.595 56.603 54.840 0.279 0.000 0.755 61 L CB -0.659 41.589 42.059 0.315 0.000 0.904 61 L HN 0.381 nan 8.230 nan 0.000 0.435 62 A N -0.462 122.494 122.820 0.227 0.000 1.908 62 A HA -0.258 4.064 4.320 0.003 0.000 0.218 62 A C 2.347 180.040 177.584 0.181 0.000 1.181 62 A CA 1.938 54.120 52.037 0.242 0.000 0.627 62 A CB -0.415 18.655 19.000 0.115 0.000 0.818 62 A HN 0.387 nan 8.150 nan 0.000 0.445 63 K N -0.721 119.734 120.400 0.092 0.000 2.057 63 K HA -0.148 4.173 4.320 0.003 0.000 0.206 63 K C 2.150 178.750 176.600 0.000 0.000 1.050 63 K CA 1.369 57.678 56.287 0.037 0.000 0.935 63 K CB -0.164 32.343 32.500 0.011 0.000 0.715 63 K HN 0.704 nan 8.250 nan 0.000 0.439 64 E N 0.191 120.354 120.200 -0.061 0.000 2.085 64 E HA -0.185 4.167 4.350 0.003 0.000 0.194 64 E C 0.905 177.240 176.600 -0.442 0.000 0.994 64 E CA 1.266 57.476 56.400 -0.317 0.000 0.801 64 E CB 0.063 29.453 29.700 -0.516 0.000 0.743 64 E HN 0.244 nan 8.360 nan 0.000 0.453 65 F N 0.247 120.235 119.950 0.063 0.000 2.678 65 F HA 0.387 4.916 4.527 0.003 0.000 0.305 65 F C 0.632 176.600 175.800 0.281 0.000 1.090 65 F CA -0.096 57.966 58.000 0.103 0.000 1.272 65 F CB 0.240 39.233 39.000 -0.013 0.000 1.060 65 F HN -0.052 nan 8.300 nan 0.000 0.576 66 A N 0.965 123.970 122.820 0.308 0.000 2.565 66 A HA 0.068 4.390 4.320 0.003 0.000 0.237 66 A C 1.518 179.175 177.584 0.123 0.000 1.053 66 A CA -0.025 52.108 52.037 0.161 0.000 0.755 66 A CB 0.099 19.124 19.000 0.042 0.000 0.980 66 A HN 0.495 nan 8.150 nan 0.000 0.506 67 L N 0.742 121.993 121.223 0.046 0.000 2.012 67 L HA -0.099 4.242 4.340 0.003 0.000 0.210 67 L C 0.794 177.674 176.870 0.017 0.000 1.073 67 L CA 1.558 56.425 54.840 0.044 0.000 0.748 67 L CB -0.212 41.846 42.059 -0.003 0.000 0.891 67 L HN 0.782 nan 8.230 nan 0.000 0.431 68 D N -0.809 119.583 120.400 -0.014 0.000 2.454 68 D HA 0.337 4.979 4.640 0.003 0.000 0.247 68 D C 0.642 176.934 176.300 -0.014 0.000 1.129 68 D CA -0.041 53.952 54.000 -0.013 0.000 0.877 68 D CB 1.787 42.574 40.800 -0.023 0.000 1.082 68 D HN 0.071 nan 8.370 nan 0.000 0.537 69 A N 4.150 126.967 122.820 -0.005 0.000 2.076 69 A HA -0.204 4.117 4.320 0.003 0.000 0.220 69 A C 1.582 179.161 177.584 -0.008 0.000 1.160 69 A CA 1.136 53.170 52.037 -0.005 0.000 0.653 69 A CB -0.188 18.808 19.000 -0.005 0.000 0.801 69 A HN 0.588 nan 8.150 nan 0.000 0.455 70 N N 0.116 118.811 118.700 -0.009 0.000 2.422 70 N HA -0.000 4.742 4.740 0.003 0.000 0.181 70 N C -0.277 175.226 175.510 -0.012 0.000 1.080 70 N CA 0.380 53.425 53.050 -0.008 0.000 0.893 70 N CB 0.076 38.559 38.487 -0.007 0.000 0.973 70 N HN 0.454 nan 8.380 nan 0.000 0.456 71 N N 0.685 119.374 118.700 -0.020 0.000 2.687 71 N HA 0.140 4.881 4.740 0.003 0.000 0.275 71 N C -2.130 173.353 175.510 -0.044 0.000 1.789 71 N CA -0.713 52.321 53.050 -0.027 0.000 0.806 71 N CB 2.066 40.535 38.487 -0.029 0.000 1.256 71 N HN 0.079 nan 8.380 nan 0.000 0.500 72 P HA -0.028 nan 4.420 nan 0.000 0.223 72 P C 0.909 178.161 177.300 -0.081 0.000 1.151 72 P CA 0.569 63.640 63.100 -0.048 0.000 0.787 72 P CB 0.757 32.447 31.700 -0.018 0.000 0.788 73 L N -1.058 120.127 121.223 -0.063 0.000 2.741 73 L HA 0.320 4.661 4.340 0.003 0.000 0.237 73 L C 0.981 177.801 176.870 -0.084 0.000 1.178 73 L CA -0.531 54.267 54.840 -0.071 0.000 0.973 73 L CB -1.042 41.006 42.059 -0.019 0.000 1.255 73 L HN -0.146 nan 8.230 nan 0.000 0.498 74 A N 0.494 123.256 122.820 -0.096 0.000 2.498 74 A HA 0.505 4.827 4.320 0.003 0.000 0.239 74 A C 1.036 178.550 177.584 -0.118 0.000 1.068 74 A CA 0.373 52.358 52.037 -0.087 0.000 0.766 74 A CB 0.337 19.290 19.000 -0.079 0.000 1.003 74 A HN 0.370 nan 8.150 nan 0.000 0.497 78 D N -0.419 120.014 120.400 0.055 0.000 2.097 78 D HA -0.022 4.619 4.640 0.003 0.000 0.195 78 D C -0.924 175.439 176.300 0.105 0.000 0.989 78 D CA 1.831 55.892 54.000 0.102 0.000 0.827 78 D CB -1.304 39.535 40.800 0.065 0.000 0.966 78 D HN 0.516 nan 8.370 nan 0.000 0.456 79 P HA -0.046 nan 4.420 nan 0.000 0.216 79 P C 1.688 179.021 177.300 0.054 0.000 1.153 79 P CA 1.594 64.713 63.100 0.033 0.000 0.848 79 P CB -0.243 31.463 31.700 0.011 0.000 0.787 80 G N -1.195 107.651 108.800 0.076 0.000 2.418 80 G HA2 -0.309 3.653 3.960 0.003 0.000 0.217 80 G HA3 -0.309 3.653 3.960 0.003 0.000 0.217 80 G C 1.601 176.620 174.900 0.198 0.000 1.158 80 G CA 0.533 45.692 45.100 0.099 0.000 0.771 80 G HN 0.174 nan 8.290 nan 0.000 0.545 81 Y N 2.058 122.396 120.300 0.063 0.000 2.181 81 Y HA 0.042 4.594 4.550 0.003 0.000 0.288 81 Y C 2.921 178.914 175.900 0.156 0.000 1.146 81 Y CA 0.815 58.990 58.100 0.126 0.000 1.164 81 Y CB -0.564 37.957 38.460 0.102 0.000 0.982 81 Y HN 0.252 nan 8.280 nan 0.000 0.515 82 A N -0.984 121.909 122.820 0.123 0.000 1.877 82 A HA -0.192 4.130 4.320 0.003 0.000 0.216 82 A C 2.292 179.881 177.584 0.009 0.000 1.186 82 A CA 2.321 54.371 52.037 0.022 0.000 0.620 82 A CB -1.330 17.647 19.000 -0.038 0.000 0.822 82 A HN 0.460 nan 8.150 nan 0.000 0.443 83 T N -1.460 113.094 114.554 0.001 0.000 2.684 83 T HA -0.209 4.143 4.350 0.003 0.000 0.267 83 T C 1.815 176.593 174.700 0.130 0.000 1.036 83 T CA 1.869 63.980 62.100 0.018 0.000 1.148 83 T CB -0.447 68.448 68.868 0.046 0.000 0.863 83 T HN 0.551 nan 8.240 nan 0.000 0.436 84 Y N 2.536 122.855 120.300 0.032 0.000 2.145 84 Y HA -0.110 4.441 4.550 0.003 0.000 0.286 84 Y C 2.369 178.257 175.900 -0.019 0.000 1.145 84 Y CA 1.005 59.124 58.100 0.031 0.000 1.148 84 Y CB -0.641 37.861 38.460 0.070 0.000 0.981 84 Y HN 0.168 nan 8.280 nan 0.000 0.507 85 N N -0.610 118.047 118.700 -0.072 0.000 2.069 85 N HA -0.232 4.510 4.740 0.003 0.000 0.191 85 N C 1.586 177.118 175.510 0.038 0.000 1.031 85 N CA 1.855 54.850 53.050 -0.090 0.000 0.852 85 N CB -0.578 37.841 38.487 -0.113 0.000 1.018 85 N HN 0.480 nan 8.380 nan 0.000 0.423 86 H N 0.950 119.974 119.070 -0.076 0.000 2.387 86 H HA 0.028 4.585 4.556 0.003 0.000 0.299 86 H C 2.147 177.427 175.328 -0.080 0.000 1.099 86 H CA 1.261 57.275 56.048 -0.056 0.000 1.315 86 H CB 0.015 29.746 29.762 -0.051 0.000 1.380 86 H HN 0.166 nan 8.280 nan 0.000 0.513 87 R N -0.295 120.202 120.500 -0.005 0.000 2.081 87 R HA -0.081 4.261 4.340 0.003 0.000 0.235 87 R C 2.211 178.306 176.300 -0.341 0.000 1.131 87 R CA 1.605 57.655 56.100 -0.084 0.000 0.960 87 R CB -0.197 30.096 30.300 -0.013 0.000 0.856 87 R HN 0.320 nan 8.270 nan 0.000 0.436 88 I N -0.496 119.725 120.570 -0.581 0.000 2.235 88 I HA -0.204 3.967 4.170 0.003 0.000 0.241 88 I C 1.797 177.723 176.117 -0.319 0.000 1.085 88 I CA 1.167 61.998 61.300 -0.782 0.000 1.378 88 I CB -0.251 37.195 38.000 -0.922 0.000 1.076 88 I HN 0.010 nan 8.210 nan 0.000 0.415 89 F N 1.143 120.938 119.950 -0.259 0.000 2.126 89 F HA -0.150 4.379 4.527 0.003 0.000 0.299 89 F C 2.536 178.341 175.800 0.009 0.000 1.096 89 F CA 1.641 59.546 58.000 -0.159 0.000 1.255 89 F CB -1.153 37.611 39.000 -0.395 0.000 0.997 89 F HN 0.036 nan 8.300 nan 0.000 0.479 90 G N -1.734 107.086 108.800 0.034 0.000 2.408 90 G HA2 -0.310 3.652 3.960 0.003 0.000 0.217 90 G HA3 -0.310 3.652 3.960 0.003 0.000 0.217 90 G C 1.371 176.160 174.900 -0.184 0.000 1.150 90 G CA 1.086 46.130 45.100 -0.093 0.000 0.776 90 G HN 0.434 nan 8.290 nan 0.000 0.542 91 H N -0.145 118.786 119.070 -0.230 0.000 2.352 91 H HA -0.031 4.527 4.556 0.002 0.000 0.299 91 H C 1.679 176.817 175.328 -0.318 0.000 1.097 91 H CA 1.570 57.425 56.048 -0.322 0.000 1.311 91 H CB -0.197 29.305 29.762 -0.433 0.000 1.377 91 H HN 0.353 nan 8.280 nan 0.000 0.504 92 F N -0.479 119.544 119.950 0.121 0.000 2.797 92 F HA 0.135 4.663 4.527 0.002 0.000 0.302 92 F C 0.543 176.398 175.800 0.092 0.000 1.130 92 F CA 0.755 58.823 58.000 0.113 0.000 1.387 92 F CB -0.043 39.066 39.000 0.182 0.000 1.107 92 F HN 0.316 nan 8.300 nan 0.000 0.577 93 H N -1.762 117.353 119.070 0.074 0.000 2.886 93 H HA -0.179 4.378 4.556 0.003 0.000 0.294 93 H C -0.066 175.278 175.328 0.026 0.000 1.246 93 H CA -0.077 55.967 56.048 -0.008 0.000 1.142 93 H CB -2.129 27.559 29.762 -0.123 0.000 1.358 93 H HN 0.119 nan 8.280 nan 0.000 0.406 94 F N 1.051 121.074 119.950 0.122 0.000 2.608 94 F HA -0.015 4.514 4.527 0.003 0.000 0.380 94 F C 1.730 177.551 175.800 0.035 0.000 1.083 94 F CA 0.634 58.714 58.000 0.132 0.000 1.266 94 F CB 0.644 39.822 39.000 0.298 0.000 1.076 94 F HN -0.019 nan 8.300 nan 0.000 0.574 95 K N 1.617 122.127 120.400 0.184 0.000 2.425 95 K HA 0.186 4.508 4.320 0.003 0.000 0.201 95 K C -0.168 176.461 176.600 0.048 0.000 1.128 95 K CA 0.259 56.582 56.287 0.060 0.000 1.000 95 K CB 0.886 33.378 32.500 -0.014 0.000 0.961 95 K HN 0.711 nan 8.250 nan 0.000 0.555 96 E N 0.321 120.587 120.200 0.110 0.000 2.380 96 E HA 0.330 4.682 4.350 0.003 0.000 0.281 96 E C -1.590 175.067 176.600 0.095 0.000 0.999 96 E CA -0.378 56.053 56.400 0.052 0.000 0.800 96 E CB 1.485 31.212 29.700 0.046 0.000 1.228 96 E HN -0.109 nan 8.360 nan 0.000 0.436 97 L N 4.187 125.408 121.223 -0.004 0.000 2.341 97 L HA 0.519 4.861 4.340 0.003 0.000 0.278 97 L C -0.665 176.163 176.870 -0.070 0.000 1.005 97 L CA -0.932 53.906 54.840 -0.003 0.000 0.818 97 L CB 1.334 43.340 42.059 -0.090 0.000 1.259 97 L HN 0.406 nan 8.230 nan 0.000 0.418 98 L N 5.002 126.160 121.223 -0.110 0.000 2.277 98 L HA 0.527 4.868 4.340 0.003 0.000 0.284 98 L C -0.374 176.356 176.870 -0.233 0.000 1.028 98 L CA -0.310 54.424 54.840 -0.177 0.000 0.835 98 L CB 1.429 43.321 42.059 -0.277 0.000 1.215 98 L HN 0.507 nan 8.230 nan 0.000 0.425 99 I N 2.670 123.106 120.570 -0.223 0.000 2.315 99 I HA 0.111 4.283 4.170 0.003 0.000 0.291 99 I C 0.155 176.096 176.117 -0.293 0.000 1.006 99 I CA -0.412 60.684 61.300 -0.340 0.000 1.265 99 I CB 1.617 39.386 38.000 -0.385 0.000 1.387 99 I HN 0.538 nan 8.210 nan 0.000 0.475 100 D N 5.233 125.411 120.400 -0.369 0.000 2.342 100 D HA -0.022 4.620 4.640 0.003 0.000 0.260 100 D C 1.223 177.485 176.300 -0.063 0.000 1.278 100 D CA -0.097 53.843 54.000 -0.100 0.000 0.910 100 D CB 0.939 41.740 40.800 0.001 0.000 1.079 100 D HN 0.640 nan 8.370 nan 0.000 0.496 101 T N 0.114 114.669 114.554 0.002 0.000 3.148 101 T HA 0.142 4.493 4.350 0.003 0.000 0.253 101 T C 1.673 176.508 174.700 0.224 0.000 1.134 101 T CA 0.171 62.279 62.100 0.013 0.000 1.051 101 T CB 0.160 69.170 68.868 0.237 0.000 0.959 101 T HN 0.302 nan 8.240 nan 0.000 0.525 102 G N 0.512 109.435 108.800 0.205 0.000 2.712 102 G HA2 0.185 4.147 3.960 0.003 0.000 0.212 102 G HA3 0.185 4.147 3.960 0.003 0.000 0.212 102 G C -0.000 175.033 174.900 0.221 0.000 1.142 102 G CA -0.369 44.841 45.100 0.182 0.000 0.789 102 G HN 0.563 nan 8.290 nan 0.000 0.535 103 F N 1.664 121.689 119.950 0.125 0.000 2.415 103 F HA 0.623 5.152 4.527 0.003 0.000 0.348 103 F C -0.778 175.132 175.800 0.184 0.000 1.119 103 F CA -1.690 56.336 58.000 0.043 0.000 1.069 103 F CB 1.917 40.810 39.000 -0.179 0.000 1.124 103 F HN -0.206 nan 8.300 nan 0.000 0.472 104 V N 8.605 128.098 119.914 -0.701 0.000 2.349 104 V HA 0.361 4.482 4.120 0.003 0.000 0.284 104 V C -2.026 173.552 176.094 -0.861 0.000 1.014 104 V CA -1.459 60.515 62.300 -0.543 0.000 0.826 104 V CB 1.093 32.762 31.823 -0.256 0.000 1.009 104 V HN 0.683 nan 8.190 nan 0.000 0.431 105 P HA 0.275 nan 4.420 nan 0.000 0.274 105 P C -0.667 176.482 177.300 -0.251 0.000 1.237 105 P CA -0.456 62.368 63.100 -0.461 0.000 0.793 105 P CB 0.874 32.470 31.700 -0.174 0.000 0.977 106 D N 0.863 121.173 120.400 -0.150 0.000 2.443 106 D HA 0.003 4.644 4.640 0.003 0.000 0.239 106 D C 0.316 176.549 176.300 -0.111 0.000 1.136 106 D CA 0.828 54.759 54.000 -0.114 0.000 0.879 106 D CB -0.211 40.548 40.800 -0.069 0.000 1.195 106 D HN 0.391 nan 8.370 nan 0.000 0.443 107 D N -0.156 120.181 120.400 -0.106 0.000 2.699 107 D HA -0.114 4.528 4.640 0.003 0.000 0.239 107 D C -2.240 173.994 176.300 -0.110 0.000 1.136 107 D CA 0.135 54.077 54.000 -0.097 0.000 0.668 107 D CB -0.981 39.773 40.800 -0.075 0.000 1.060 107 D HN 0.316 nan 8.370 nan 0.000 0.429 108 P HA 0.245 nan 4.420 nan 0.000 0.276 108 P C 0.471 177.666 177.300 -0.175 0.000 1.244 108 P CA -0.427 62.560 63.100 -0.189 0.000 0.801 108 P CB 0.917 32.416 31.700 -0.335 0.000 1.006 109 I N 2.676 123.164 120.570 -0.137 0.000 2.287 109 I HA 0.130 4.301 4.170 0.003 0.000 0.290 109 I C 1.579 177.508 176.117 -0.314 0.000 1.069 109 I CA -0.242 60.983 61.300 -0.125 0.000 1.237 109 I CB 0.257 38.267 38.000 0.018 0.000 1.418 109 I HN 0.195 nan 8.210 nan 0.000 0.481 110 L N 3.561 124.530 121.223 -0.423 0.000 2.375 110 L HA 0.092 4.433 4.340 0.003 0.000 0.215 110 L C 1.134 177.869 176.870 -0.225 0.000 1.108 110 L CA 0.453 54.893 54.840 -0.667 0.000 0.830 110 L CB -0.090 41.662 42.059 -0.511 0.000 0.959 110 L HN 0.600 nan 8.230 nan 0.000 0.457 111 D N 0.860 121.194 120.400 -0.111 0.000 2.343 111 D HA 0.058 4.700 4.640 0.003 0.000 0.255 111 D C 1.047 177.359 176.300 0.021 0.000 1.187 111 D CA -0.037 53.944 54.000 -0.032 0.000 0.875 111 D CB 1.695 42.470 40.800 -0.042 0.000 1.136 111 D HN 0.092 nan 8.370 nan 0.000 0.469 112 L N 3.127 124.375 121.223 0.042 0.000 2.156 112 L HA -0.112 4.229 4.340 0.003 0.000 0.208 112 L C 1.839 178.699 176.870 -0.015 0.000 1.095 112 L CA 0.565 55.426 54.840 0.034 0.000 0.770 112 L CB -0.161 41.906 42.059 0.015 0.000 0.914 112 L HN 0.408 nan 8.230 nan 0.000 0.439 113 D N 0.068 120.454 120.400 -0.023 0.000 2.117 113 D HA -0.180 4.462 4.640 0.003 0.000 0.198 113 D C 2.242 178.523 176.300 -0.032 0.000 0.982 113 D CA 1.151 55.131 54.000 -0.033 0.000 0.828 113 D CB -0.071 40.712 40.800 -0.029 0.000 0.967 113 D HN 0.435 nan 8.370 nan 0.000 0.464 114 Q N 0.136 119.922 119.800 -0.022 0.000 2.084 114 Q HA -0.098 4.243 4.340 0.003 0.000 0.202 114 Q C 2.186 178.171 176.000 -0.025 0.000 0.978 114 Q CA 1.367 57.160 55.803 -0.017 0.000 0.844 114 Q CB -0.139 28.593 28.738 -0.010 0.000 0.898 114 Q HN 0.221 nan 8.270 nan 0.000 0.426 115 T N 0.978 115.516 114.554 -0.027 0.000 2.708 115 T HA -0.169 4.182 4.350 0.003 0.000 0.266 115 T C 1.955 176.569 174.700 -0.144 0.000 1.037 115 T CA 1.269 63.330 62.100 -0.064 0.000 1.146 115 T CB -0.344 68.511 68.868 -0.022 0.000 0.865 115 T HN 0.407 nan 8.240 nan 0.000 0.435 116 A N 1.677 124.423 122.820 -0.124 0.000 1.940 116 A HA -0.164 4.158 4.320 0.003 0.000 0.219 116 A C 2.240 179.745 177.584 -0.130 0.000 1.176 116 A CA 1.580 53.524 52.037 -0.155 0.000 0.631 116 A CB -0.514 18.420 19.000 -0.110 0.000 0.814 116 A HN 0.565 nan 8.150 nan 0.000 0.446 117 E N -0.857 119.303 120.200 -0.067 0.000 2.106 117 E HA -0.167 4.185 4.350 0.003 0.000 0.192 117 E C 1.962 178.589 176.600 0.045 0.000 0.984 117 E CA 1.130 57.524 56.400 -0.010 0.000 0.806 117 E CB -0.258 29.440 29.700 -0.003 0.000 0.750 117 E HN 0.522 nan 8.360 nan 0.000 0.458 118 L N 0.994 122.206 121.223 -0.020 0.000 2.046 118 L HA -0.151 4.191 4.340 0.003 0.000 0.208 118 L C 2.345 179.180 176.870 -0.059 0.000 1.077 118 L CA 1.511 56.338 54.840 -0.021 0.000 0.747 118 L CB -0.204 41.805 42.059 -0.083 0.000 0.896 118 L HN 0.094 nan 8.230 nan 0.000 0.432 119 V N -3.853 115.863 119.914 -0.328 0.000 3.471 119 V HA 0.480 4.602 4.120 0.003 0.000 0.258 119 V C 1.571 177.157 176.094 -0.848 0.000 1.192 119 V CA 0.506 62.399 62.300 -0.679 0.000 1.116 119 V CB -0.391 30.692 31.823 -1.233 0.000 0.792 119 V HN 0.599 nan 8.190 nan 0.000 0.459 120 G N 1.414 109.834 108.800 -0.633 0.000 2.141 120 G HA2 -0.210 3.751 3.960 0.003 0.000 0.242 120 G HA3 -0.210 3.751 3.960 0.003 0.000 0.242 120 G C -0.037 174.664 174.900 -0.331 0.000 0.982 120 G CA 0.444 45.207 45.100 -0.562 0.000 0.662 120 G HN 1.433 nan 8.290 nan 0.000 0.527 121 I N -3.502 116.878 120.570 -0.317 0.000 3.095 121 I HA 0.761 4.932 4.170 0.003 0.000 0.310 121 I C -2.529 173.477 176.117 -0.186 0.000 1.196 121 I CA -3.215 57.954 61.300 -0.218 0.000 0.985 121 I CB 2.082 39.958 38.000 -0.206 0.000 1.250 121 I HN -0.117 nan 8.210 nan 0.000 0.446 122 P HA 0.188 nan 4.420 nan 0.000 0.269 122 P C -0.854 176.379 177.300 -0.111 0.000 1.209 122 P CA -0.081 62.961 63.100 -0.097 0.000 0.776 122 P CB 1.324 32.989 31.700 -0.057 0.000 0.876 123 V N 3.390 123.243 119.914 -0.102 0.000 2.569 123 V HA 0.364 4.485 4.120 0.003 0.000 0.301 123 V C 0.154 176.200 176.094 -0.079 0.000 1.044 123 V CA -0.563 61.673 62.300 -0.105 0.000 0.874 123 V CB 1.954 33.704 31.823 -0.122 0.000 1.002 123 V HN 0.499 nan 8.190 nan 0.000 0.424 124 K N 2.489 122.842 120.400 -0.077 0.000 2.350 124 K HA 0.903 5.224 4.320 0.003 0.000 0.241 124 K C -0.503 176.054 176.600 -0.072 0.000 0.994 124 K CA -0.794 55.452 56.287 -0.069 0.000 0.839 124 K CB 2.981 35.455 32.500 -0.044 0.000 1.244 124 K HN 0.718 nan 8.250 nan 0.000 0.443 125 A N 1.797 124.579 122.820 -0.063 0.000 2.312 125 A HA 0.588 4.910 4.320 0.003 0.000 0.326 125 A C -0.397 177.306 177.584 0.199 0.000 1.172 125 A CA -0.706 51.340 52.037 0.015 0.000 0.821 125 A CB 0.402 19.332 19.000 -0.117 0.000 1.166 125 A HN 0.499 nan 8.150 nan 0.000 0.493 126 I N 1.730 122.435 120.570 0.226 0.000 2.377 126 I HA 0.149 4.321 4.170 0.003 0.000 0.293 126 I C -0.779 175.532 176.117 0.324 0.000 0.987 126 I CA -0.334 61.112 61.300 0.244 0.000 1.185 126 I CB 1.277 39.361 38.000 0.141 0.000 1.341 126 I HN 0.749 nan 8.210 nan 0.000 0.455 127 Y N 6.633 126.905 120.300 -0.046 0.000 2.452 127 Y HA 0.258 4.810 4.550 0.003 0.000 0.348 127 Y C 0.676 176.606 175.900 0.049 0.000 0.985 127 Y CA -0.323 57.580 58.100 -0.329 0.000 1.214 127 Y CB 0.379 38.268 38.460 -0.952 0.000 1.136 127 Y HN 0.504 nan 8.280 nan 0.000 0.523 128 R N 6.567 127.162 120.500 0.159 0.000 2.248 128 R HA 0.177 4.519 4.340 0.003 0.000 0.328 128 R C 0.406 176.924 176.300 0.363 0.000 1.067 128 R CA -0.064 56.196 56.100 0.266 0.000 0.924 128 R CB 0.427 30.860 30.300 0.223 0.000 1.013 128 R HN 1.031 nan 8.270 nan 0.000 0.454 129 L N 3.525 125.021 121.223 0.455 0.000 1.994 129 L HA -0.210 4.131 4.340 0.003 0.000 0.208 129 L C 1.731 178.909 176.870 0.512 0.000 1.071 129 L CA 1.549 56.752 54.840 0.605 0.000 0.745 129 L CB -0.216 42.134 42.059 0.486 0.000 0.892 129 L HN 0.661 nan 8.230 nan 0.000 0.431 130 E N -0.309 120.086 120.200 0.325 0.000 2.106 130 E HA -0.172 4.180 4.350 0.003 0.000 0.192 130 E C 2.175 178.917 176.600 0.238 0.000 0.984 130 E CA 1.810 58.350 56.400 0.234 0.000 0.806 130 E CB -0.429 29.360 29.700 0.148 0.000 0.750 130 E HN 0.572 nan 8.360 nan 0.000 0.458 131 T N -1.985 112.693 114.554 0.206 0.000 2.821 131 T HA -0.140 4.212 4.350 0.003 0.000 0.267 131 T C 1.533 176.305 174.700 0.120 0.000 1.046 131 T CA 1.375 63.549 62.100 0.123 0.000 1.139 131 T CB -0.476 68.413 68.868 0.036 0.000 0.871 131 T HN 0.191 nan 8.240 nan 0.000 0.454 132 H N 1.744 120.943 119.070 0.215 0.000 2.357 132 H HA 0.328 4.886 4.556 0.003 0.000 0.301 132 H C 2.687 178.390 175.328 0.625 0.000 1.082 132 H CA 1.424 57.694 56.048 0.371 0.000 1.342 132 H CB -0.537 29.436 29.762 0.351 0.000 1.389 132 H HN 0.519 nan 8.280 nan 0.000 0.511 133 A N 0.998 124.150 122.820 0.552 0.000 1.908 133 A HA -0.247 4.075 4.320 0.003 0.000 0.218 133 A C 2.098 180.140 177.584 0.763 0.000 1.181 133 A CA 2.004 54.253 52.037 0.353 0.000 0.627 133 A CB -0.419 18.636 19.000 0.091 0.000 0.818 133 A HN 0.515 nan 8.150 nan 0.000 0.445 134 E N -0.230 120.322 120.200 0.588 0.000 2.051 134 E HA -0.189 4.162 4.350 0.003 0.000 0.192 134 E C 1.528 178.314 176.600 0.311 0.000 0.991 134 E CA 1.255 57.975 56.400 0.534 0.000 0.799 134 E CB -0.186 29.740 29.700 0.378 0.000 0.748 134 E HN 0.533 nan 8.360 nan 0.000 0.449 135 D N -0.113 120.429 120.400 0.235 0.000 2.144 135 D HA -0.067 4.575 4.640 0.003 0.000 0.200 135 D C 0.593 176.938 176.300 0.076 0.000 0.978 135 D CA 0.697 54.733 54.000 0.061 0.000 0.833 135 D CB -0.111 40.636 40.800 -0.088 0.000 0.961 135 D HN -0.033 nan 8.370 nan 0.000 0.470 139 E N 0.022 120.243 120.200 0.035 0.000 2.474 139 E HA 0.189 4.541 4.350 0.003 0.000 0.195 139 E C -0.187 176.167 176.600 -0.409 0.000 1.039 139 E CA 0.198 56.509 56.400 -0.149 0.000 0.881 139 E CB 0.610 30.220 29.700 -0.150 0.000 0.970 139 E HN 0.364 nan 8.360 nan 0.000 0.486 140 H N -0.241 118.959 119.070 0.216 0.000 2.806 140 H HA 0.152 4.709 4.556 0.003 0.000 0.367 140 H C -0.209 175.269 175.328 0.249 0.000 1.136 140 H CA -0.556 55.636 56.048 0.240 0.000 1.178 140 H CB 1.845 31.799 29.762 0.320 0.000 1.718 140 H HN -0.019 nan 8.280 nan 0.000 0.540 141 D N 0.831 121.413 120.400 0.302 0.000 2.346 141 D HA -0.028 4.613 4.640 0.003 0.000 0.206 141 D C 0.189 176.699 176.300 0.350 0.000 1.001 141 D CA 0.601 54.755 54.000 0.257 0.000 0.871 141 D CB 0.701 41.605 40.800 0.172 0.000 0.943 141 D HN 0.616 nan 8.370 nan 0.000 0.518 142 N N -1.687 117.205 118.700 0.321 0.000 2.284 142 N HA 0.150 4.892 4.740 0.003 0.000 0.289 142 N C 0.215 175.637 175.510 -0.146 0.000 1.179 142 N CA -0.839 52.335 53.050 0.206 0.000 0.774 142 N CB 1.172 39.757 38.487 0.163 0.000 1.548 142 N HN -0.264 nan 8.380 nan 0.000 0.473 143 F N 1.552 121.235 119.950 -0.445 0.000 2.091 143 F HA -0.143 4.386 4.527 0.003 0.000 0.299 143 F C 2.198 177.933 175.800 -0.107 0.000 1.103 143 F CA 2.220 59.861 58.000 -0.598 0.000 1.228 143 F CB -0.430 38.395 39.000 -0.291 0.000 0.984 143 F HN 0.724 nan 8.300 nan 0.000 0.477 144 A N 0.332 123.213 122.820 0.103 0.000 1.902 144 A HA -0.065 4.257 4.320 0.003 0.000 0.217 144 A C 2.388 179.933 177.584 -0.064 0.000 1.181 144 A CA 1.896 53.975 52.037 0.071 0.000 0.623 144 A CB -1.584 17.508 19.000 0.153 0.000 0.818 144 A HN 0.551 nan 8.150 nan 0.000 0.443 145 A N -1.624 121.158 122.820 -0.064 0.000 1.929 145 A HA -0.078 4.244 4.320 0.003 0.000 0.216 145 A C 1.969 179.269 177.584 -0.475 0.000 1.176 145 A CA 1.461 53.403 52.037 -0.159 0.000 0.628 145 A CB -0.862 18.164 19.000 0.043 0.000 0.816 145 A HN 0.883 nan 8.150 nan 0.000 0.444 146 W N -0.292 120.692 121.300 -0.525 0.000 2.355 146 W HA -0.203 4.459 4.660 0.003 0.000 0.309 146 W C 2.200 178.518 176.519 -0.335 0.000 1.206 146 W CA 1.813 58.883 57.345 -0.458 0.000 1.284 146 W CB -0.551 28.672 29.460 -0.395 0.000 1.145 146 W HN 0.498 nan 8.180 nan 0.000 0.502 147 W N 1.650 122.473 121.300 -0.795 0.000 2.358 147 W HA -0.260 4.401 4.660 0.003 0.000 0.303 147 W C 2.249 178.406 176.519 -0.604 0.000 1.208 147 W CA 2.092 58.879 57.345 -0.930 0.000 1.274 147 W CB -0.815 28.126 29.460 -0.864 0.000 1.138 147 W HN 0.156 nan 8.180 nan 0.000 0.515 148 Q N 0.592 120.086 119.800 -0.510 0.000 2.061 148 Q HA -0.201 4.141 4.340 0.003 0.000 0.204 148 Q C 2.380 178.008 176.000 -0.620 0.000 0.984 148 Q CA 2.420 57.923 55.803 -0.499 0.000 0.846 148 Q CB -0.476 28.103 28.738 -0.264 0.000 0.902 148 Q HN 0.194 nan 8.270 nan 0.000 0.421 149 A N 0.208 122.645 122.820 -0.638 0.000 1.873 149 A HA -0.165 4.156 4.320 0.003 0.000 0.215 149 A C 1.838 178.785 177.584 -1.061 0.000 1.186 149 A CA 1.272 52.931 52.037 -0.631 0.000 0.616 149 A CB -0.924 17.837 19.000 -0.398 0.000 0.823 149 A HN 0.625 nan 8.150 nan 0.000 0.442 150 F N 2.083 121.215 119.950 -1.363 0.000 2.113 150 F HA -0.160 4.369 4.527 0.003 0.000 0.297 150 F C 2.730 177.926 175.800 -1.007 0.000 1.103 150 F CA 1.976 59.165 58.000 -1.353 0.000 1.248 150 F CB -0.596 37.666 39.000 -1.231 0.000 0.999 150 F HN 0.302 nan 8.300 nan 0.000 0.475 151 S N 0.482 115.352 115.700 -1.384 0.000 2.382 151 S HA -0.226 4.245 4.470 0.003 0.000 0.228 151 S C 1.866 175.846 174.600 -1.034 0.000 1.027 151 S CA 1.363 58.760 58.200 -1.340 0.000 0.991 151 S CB -0.960 61.348 63.200 -1.487 0.000 0.823 151 S HN 0.471 nan 8.310 nan 0.000 0.469 152 N N 2.160 120.361 118.700 -0.832 0.000 2.104 152 N HA -0.099 4.643 4.740 0.003 0.000 0.190 152 N C 1.458 176.678 175.510 -0.482 0.000 1.024 152 N CA 1.651 54.350 53.050 -0.584 0.000 0.853 152 N CB -0.910 37.329 38.487 -0.413 0.000 1.008 152 N HN 0.605 nan 8.380 nan 0.000 0.424 153 D N -0.005 120.092 120.400 -0.506 0.000 2.117 153 D HA -0.070 4.572 4.640 0.003 0.000 0.197 153 D C 1.858 177.941 176.300 -0.361 0.000 0.987 153 D CA 0.559 54.417 54.000 -0.236 0.000 0.829 153 D CB 0.171 40.946 40.800 -0.041 0.000 0.961 153 D HN -0.052 nan 8.370 nan 0.000 0.460 154 V N 0.387 119.901 119.914 -0.666 0.000 2.295 154 V HA -0.221 3.901 4.120 0.003 0.000 0.246 154 V C 2.243 178.058 176.094 -0.466 0.000 1.049 154 V CA 1.683 63.549 62.300 -0.724 0.000 1.024 154 V CB -0.392 30.964 31.823 -0.778 0.000 0.648 154 V HN 0.209 nan 8.190 nan 0.000 0.447 155 K N -0.256 119.838 120.400 -0.511 0.000 2.209 155 K HA -0.188 4.134 4.320 0.003 0.000 0.204 155 K C 1.977 178.411 176.600 -0.277 0.000 1.048 155 K CA 1.313 57.355 56.287 -0.407 0.000 0.940 155 K CB -0.145 32.029 32.500 -0.544 0.000 0.729 155 K HN 0.545 nan 8.250 nan 0.000 0.451 156 Q N -0.469 119.159 119.800 -0.287 0.000 2.360 156 Q HA 0.147 4.489 4.340 0.003 0.000 0.202 156 Q C 1.672 177.529 176.000 -0.239 0.000 0.915 156 Q CA 0.094 55.708 55.803 -0.315 0.000 0.943 156 Q CB 0.513 29.013 28.738 -0.397 0.000 1.064 156 Q HN 0.275 nan 8.270 nan 0.000 0.511 157 A N 1.769 124.516 122.820 -0.121 0.000 1.877 157 A HA -0.252 4.070 4.320 0.003 0.000 0.216 157 A C 2.011 179.686 177.584 0.151 0.000 1.186 157 A CA 1.705 53.754 52.037 0.020 0.000 0.620 157 A CB -0.310 18.427 19.000 -0.438 0.000 0.822 157 A HN 0.249 nan 8.150 nan 0.000 0.443 158 K N -0.280 120.140 120.400 0.035 0.000 2.026 158 K HA -0.103 4.219 4.320 0.003 0.000 0.208 158 K C 2.114 178.730 176.600 0.025 0.000 1.048 158 K CA 1.361 57.674 56.287 0.044 0.000 0.929 158 K CB -0.380 32.136 32.500 0.026 0.000 0.713 158 K HN 0.341 nan 8.250 nan 0.000 0.439 159 A N 0.455 123.244 122.820 -0.052 0.000 1.978 159 A HA -0.182 4.140 4.320 0.003 0.000 0.220 159 A C 1.461 179.040 177.584 -0.008 0.000 1.170 159 A CA 1.638 53.623 52.037 -0.086 0.000 0.636 159 A CB -0.825 18.058 19.000 -0.194 0.000 0.810 159 A HN 0.569 nan 8.150 nan 0.000 0.448 160 H N -1.971 117.156 119.070 0.095 0.000 2.547 160 H HA 0.298 4.856 4.556 0.003 0.000 0.266 160 H C 1.557 176.871 175.328 -0.023 0.000 0.988 160 H CA 0.174 56.281 56.048 0.098 0.000 1.147 160 H CB 0.267 30.180 29.762 0.252 0.000 1.365 160 H HN 0.661 nan 8.280 nan 0.000 0.589 161 G N 0.120 108.972 108.800 0.086 0.000 2.179 161 G HA2 -0.258 3.704 3.960 0.003 0.000 0.220 161 G HA3 -0.258 3.704 3.960 0.003 0.000 0.220 161 G C -0.035 174.799 174.900 -0.109 0.000 0.990 161 G CA -0.441 44.630 45.100 -0.048 0.000 0.646 161 G HN 0.185 nan 8.290 nan 0.000 0.517 162 F N 0.143 120.112 119.950 0.031 0.000 2.496 162 F HA 0.409 4.938 4.527 0.003 0.000 0.344 162 F C 1.752 177.515 175.800 -0.062 0.000 1.155 162 F CA 0.566 58.551 58.000 -0.025 0.000 1.302 162 F CB 1.347 40.303 39.000 -0.074 0.000 1.159 162 F HN 0.232 nan 8.300 nan 0.000 0.595 163 V N -0.729 119.279 119.914 0.156 0.000 3.528 163 V HA 0.740 4.862 4.120 0.003 0.000 0.294 163 V C 0.422 176.634 176.094 0.198 0.000 1.404 163 V CA 0.573 62.967 62.300 0.157 0.000 1.065 163 V CB -0.197 31.724 31.823 0.164 0.000 0.904 163 V HN 0.946 nan 8.190 nan 0.000 0.435 164 G N -0.511 108.303 108.800 0.023 0.000 2.342 164 G HA2 0.557 4.519 3.960 0.003 0.000 0.297 164 G HA3 0.557 4.519 3.960 0.003 0.000 0.297 164 G C -1.735 172.975 174.900 -0.317 0.000 1.313 164 G CA -0.608 44.500 45.100 0.015 0.000 0.830 164 G HN 0.098 nan 8.290 nan 0.000 0.506 168 I N 2.848 123.529 120.570 0.185 0.000 3.858 168 I HA 0.528 4.700 4.170 0.003 0.000 0.325 168 I C 1.657 177.929 176.117 0.258 0.000 1.403 168 I CA 0.061 61.544 61.300 0.306 0.000 1.169 168 I CB -0.087 38.116 38.000 0.338 0.000 1.077 168 I HN 0.558 nan 8.210 nan 0.000 0.403 169 A N 1.894 124.836 122.820 0.204 0.000 1.958 169 A HA -0.207 4.115 4.320 0.003 0.000 0.221 169 A C 2.602 180.278 177.584 0.154 0.000 1.178 169 A CA 2.216 54.358 52.037 0.176 0.000 0.642 169 A CB -0.776 18.342 19.000 0.197 0.000 0.816 169 A HN 0.668 nan 8.150 nan 0.000 0.453 170 A N -1.683 121.229 122.820 0.154 0.000 1.940 170 A HA -0.109 4.212 4.320 0.003 0.000 0.219 170 A C 2.014 179.619 177.584 0.035 0.000 1.176 170 A CA 1.645 53.730 52.037 0.081 0.000 0.631 170 A CB -0.750 18.316 19.000 0.109 0.000 0.814 170 A HN 0.625 nan 8.150 nan 0.000 0.446 171 Y N -0.749 119.575 120.300 0.040 0.000 2.457 171 Y HA -0.017 4.535 4.550 0.003 0.000 0.292 171 Y C 2.562 178.466 175.900 0.007 0.000 1.125 171 Y CA 1.084 59.170 58.100 -0.023 0.000 1.254 171 Y CB 0.117 38.517 38.460 -0.100 0.000 1.012 171 Y HN 0.188 nan 8.280 nan 0.000 0.555 172 R N -1.066 119.533 120.500 0.165 0.000 2.140 172 R HA 0.154 4.496 4.340 0.003 0.000 0.200 172 R C 1.560 177.898 176.300 0.064 0.000 1.069 172 R CA 1.562 57.715 56.100 0.089 0.000 1.088 172 R CB -0.404 29.928 30.300 0.053 0.000 1.012 172 R HN 0.317 nan 8.270 nan 0.000 0.500 173 V N -4.216 115.741 119.914 0.073 0.000 3.392 173 V HA 0.501 4.623 4.120 0.003 0.000 0.285 173 V C 0.619 176.758 176.094 0.075 0.000 1.582 173 V CA 0.314 62.652 62.300 0.062 0.000 1.034 173 V CB 0.468 32.321 31.823 0.050 0.000 0.846 173 V HN 0.449 nan 8.190 nan 0.000 0.431 174 G N 1.023 109.871 108.800 0.080 0.000 2.685 174 G HA2 -0.134 3.828 3.960 0.003 0.000 0.387 174 G HA3 -0.134 3.828 3.960 0.003 0.000 0.387 174 G C -0.339 174.594 174.900 0.055 0.000 1.324 174 G CA -0.158 44.984 45.100 0.070 0.000 0.878 174 G HN 0.567 nan 8.290 nan 0.000 0.527 175 L N 0.246 121.482 121.223 0.022 0.000 2.857 175 L HA 0.270 4.612 4.340 0.003 0.000 0.249 175 L C 1.148 178.011 176.870 -0.012 0.000 1.172 175 L CA -0.272 54.545 54.840 -0.038 0.000 0.980 175 L CB 0.270 42.262 42.059 -0.113 0.000 1.299 175 L HN 0.714 nan 8.230 nan 0.000 0.535 176 H N 2.249 121.290 119.070 -0.049 0.000 2.998 176 H HA 0.237 4.795 4.556 0.003 0.000 0.241 176 H C -0.322 175.020 175.328 0.023 0.000 1.852 176 H CA -0.481 55.551 56.048 -0.027 0.000 1.419 176 H CB 0.007 29.761 29.762 -0.013 0.000 1.793 176 H HN 0.199 nan 8.280 nan 0.000 0.553 177 L N 4.018 125.170 121.223 -0.118 0.000 2.360 177 L HA 0.213 4.555 4.340 0.003 0.000 0.276 177 L C 0.187 177.090 176.870 0.054 0.000 1.121 177 L CA 0.370 55.211 54.840 0.002 0.000 0.845 177 L CB 0.768 42.806 42.059 -0.035 0.000 1.143 177 L HN 0.529 nan 8.230 nan 0.000 0.452 178 E N 3.935 124.188 120.200 0.087 0.000 2.340 178 E HA 0.419 4.770 4.350 0.003 0.000 0.273 178 E C -2.530 173.922 176.600 -0.247 0.000 0.891 178 E CA -2.117 54.251 56.400 -0.053 0.000 0.757 178 E CB 2.372 31.977 29.700 -0.158 0.000 1.231 178 E HN 0.298 nan 8.360 nan 0.000 0.439 179 P HA 0.054 nan 4.420 nan 0.000 0.269 179 P C -0.933 176.212 177.300 -0.258 0.000 1.209 179 P CA -0.130 62.519 63.100 -0.751 0.000 0.776 179 P CB 0.546 31.877 31.700 -0.614 0.000 0.876 180 V N 2.507 122.352 119.914 -0.114 0.000 2.638 180 V HA 0.317 4.439 4.120 0.003 0.000 0.306 180 V C 0.168 176.344 176.094 0.136 0.000 1.052 180 V CA -0.877 61.447 62.300 0.041 0.000 0.885 180 V CB 1.759 33.661 31.823 0.133 0.000 0.999 180 V HN 0.622 nan 8.190 nan 0.000 0.424 181 N N 3.509 122.243 118.700 0.058 0.000 2.467 181 N HA 0.112 4.853 4.740 0.003 0.000 0.262 181 N C 0.897 176.394 175.510 -0.021 0.000 1.234 181 N CA -0.079 53.006 53.050 0.059 0.000 0.952 181 N CB 1.580 40.069 38.487 0.003 0.000 1.158 181 N HN 0.313 nan 8.380 nan 0.000 0.463 182 V N 2.235 122.113 119.914 -0.059 0.000 2.469 182 V HA -0.207 3.915 4.120 0.003 0.000 0.251 182 V C 1.988 177.796 176.094 -0.476 0.000 1.064 182 V CA 1.551 63.607 62.300 -0.406 0.000 1.066 182 V CB -0.756 30.905 31.823 -0.269 0.000 0.667 182 V HN 0.682 nan 8.190 nan 0.000 0.461 183 I N -0.208 120.208 120.570 -0.258 0.000 2.163 183 I HA -0.249 3.923 4.170 0.003 0.000 0.243 183 I C 2.515 178.494 176.117 -0.229 0.000 1.085 183 I CA 2.024 63.194 61.300 -0.218 0.000 1.347 183 I CB -0.390 37.539 38.000 -0.118 0.000 1.044 183 I HN 0.317 nan 8.210 nan 0.000 0.408 184 E N 0.850 120.941 120.200 -0.182 0.000 2.106 184 E HA -0.124 4.228 4.350 0.003 0.000 0.192 184 E C 2.228 178.715 176.600 -0.188 0.000 0.984 184 E CA 1.291 57.609 56.400 -0.138 0.000 0.806 184 E CB -0.312 29.344 29.700 -0.074 0.000 0.750 184 E HN 0.470 nan 8.360 nan 0.000 0.458 185 A N 0.893 123.517 122.820 -0.326 0.000 1.877 185 A HA -0.101 4.221 4.320 0.003 0.000 0.216 185 A C 2.351 179.664 177.584 -0.452 0.000 1.186 185 A CA 1.913 53.697 52.037 -0.421 0.000 0.620 185 A CB -0.833 17.603 19.000 -0.941 0.000 0.822 185 A HN 0.291 nan 8.150 nan 0.000 0.443 186 A N -0.328 122.029 122.820 -0.772 0.000 1.930 186 A HA 0.240 4.561 4.320 0.003 0.000 0.217 186 A C 2.467 179.969 177.584 -0.137 0.000 1.175 186 A CA 1.836 53.498 52.037 -0.624 0.000 0.627 186 A CB -0.901 17.630 19.000 -0.782 0.000 0.815 186 A HN 1.011 nan 8.150 nan 0.000 0.443 187 A N -0.324 122.409 122.820 -0.144 0.000 1.902 187 A HA 0.126 4.448 4.320 0.003 0.000 0.217 187 A C 2.389 179.962 177.584 -0.018 0.000 1.181 187 A CA 1.874 53.879 52.037 -0.054 0.000 0.623 187 A CB -1.346 17.620 19.000 -0.058 0.000 0.818 187 A HN 0.693 nan 8.150 nan 0.000 0.443 188 G N -1.196 107.591 108.800 -0.020 0.000 2.418 188 G HA2 -0.239 3.722 3.960 0.003 0.000 0.217 188 G HA3 -0.239 3.722 3.960 0.003 0.000 0.217 188 G C 1.471 176.416 174.900 0.076 0.000 1.158 188 G CA 1.147 46.254 45.100 0.012 0.000 0.771 188 G HN 0.504 nan 8.290 nan 0.000 0.545 189 F N 2.035 121.990 119.950 0.008 0.000 2.095 189 F HA -0.092 4.437 4.527 0.003 0.000 0.298 189 F C 2.271 178.042 175.800 -0.050 0.000 1.104 189 F CA 2.032 60.066 58.000 0.057 0.000 1.232 189 F CB -0.065 38.989 39.000 0.089 0.000 0.987 189 F HN 0.084 nan 8.300 nan 0.000 0.475 190 D N -0.395 120.005 120.400 0.000 0.000 2.097 190 D HA -0.153 4.489 4.640 0.003 0.000 0.195 190 D C 2.327 178.311 176.300 -0.527 0.000 0.989 190 D CA 2.018 55.830 54.000 -0.314 0.000 0.827 190 D CB -0.853 39.859 40.800 -0.146 0.000 0.966 190 D HN 0.283 nan 8.370 nan 0.000 0.456 191 T N 0.332 114.768 114.554 -0.196 0.000 2.720 191 T HA -0.184 4.167 4.350 0.003 0.000 0.268 191 T C 1.530 176.205 174.700 -0.041 0.000 1.037 191 T CA 1.153 63.211 62.100 -0.069 0.000 1.144 191 T CB -0.288 68.582 68.868 0.004 0.000 0.864 191 T HN 0.267 nan 8.240 nan 0.000 0.444 192 W N 2.785 123.900 121.300 -0.307 0.000 2.354 192 W HA -0.109 4.553 4.660 0.003 0.000 0.315 192 W C 2.321 178.613 176.519 -0.377 0.000 1.206 192 W CA 1.147 58.297 57.345 -0.326 0.000 1.290 192 W CB -0.854 28.369 29.460 -0.394 0.000 1.152 192 W HN 0.048 nan 8.180 nan 0.000 0.489 193 K N -0.201 119.798 120.400 -0.669 0.000 2.044 193 K HA -0.252 4.070 4.320 0.003 0.000 0.210 193 K C 2.081 178.511 176.600 -0.283 0.000 1.049 193 K CA 2.484 58.346 56.287 -0.710 0.000 0.927 193 K CB -1.208 30.792 32.500 -0.834 0.000 0.713 193 K HN 0.489 nan 8.250 nan 0.000 0.443 194 H N -0.942 118.026 119.070 -0.171 0.000 2.495 194 H HA 0.011 4.568 4.556 0.003 0.000 0.287 194 H C 1.858 177.150 175.328 -0.060 0.000 1.033 194 H CA 0.762 56.756 56.048 -0.089 0.000 1.307 194 H CB 0.183 29.916 29.762 -0.049 0.000 1.401 194 H HN 0.394 nan 8.280 nan 0.000 0.555 195 S N -0.356 115.381 115.700 0.061 0.000 2.453 195 S HA 0.008 4.479 4.470 0.003 0.000 0.231 195 S C 2.109 176.728 174.600 0.031 0.000 1.005 195 S CA 0.606 58.841 58.200 0.058 0.000 0.949 195 S CB -0.092 63.158 63.200 0.084 0.000 0.774 195 S HN 0.639 nan 8.310 nan 0.000 0.510 196 G N 1.039 109.835 108.800 -0.007 0.000 2.212 196 G HA2 -0.356 3.606 3.960 0.003 0.000 0.266 196 G HA3 -0.356 3.606 3.960 0.003 0.000 0.266 196 G C -0.085 174.814 174.900 -0.001 0.000 0.978 196 G CA 0.516 45.604 45.100 -0.021 0.000 0.632 196 G HN 0.881 nan 8.290 nan 0.000 0.537 197 E N 0.466 120.696 120.200 0.051 0.000 2.229 197 E HA 0.578 4.930 4.350 0.003 0.000 0.283 197 E C 1.351 178.054 176.600 0.173 0.000 1.030 197 E CA -0.307 56.153 56.400 0.099 0.000 0.836 197 E CB 0.765 30.534 29.700 0.115 0.000 1.068 197 E HN 0.234 nan 8.360 nan 0.000 0.401 198 K N 4.165 124.648 120.400 0.139 0.000 2.103 198 K HA -0.079 4.242 4.320 0.003 0.000 0.204 198 K C 0.854 177.691 176.600 0.395 0.000 1.052 198 K CA 0.335 56.736 56.287 0.191 0.000 0.945 198 K CB 0.095 32.655 32.500 0.099 0.000 0.722 198 K HN 0.486 nan 8.250 nan 0.000 0.443 199 R N 1.836 122.480 120.500 0.240 0.000 2.522 199 R HA -0.044 4.298 4.340 0.003 0.000 0.284 199 R C -0.693 175.616 176.300 0.015 0.000 1.032 199 R CA -0.217 55.967 56.100 0.139 0.000 1.049 199 R CB 0.253 30.586 30.300 0.055 0.000 0.956 199 R HN 0.061 nan 8.270 nan 0.000 0.422 200 L N 5.747 126.864 121.223 -0.176 0.000 2.325 200 L HA 0.149 4.491 4.340 0.003 0.000 0.284 200 L C 0.581 177.201 176.870 -0.418 0.000 1.089 200 L CA 0.851 55.253 54.840 -0.730 0.000 0.836 200 L CB 1.136 42.782 42.059 -0.689 0.000 1.184 200 L HN 0.890 nan 8.230 nan 0.000 0.444 201 T N -0.739 113.551 114.554 -0.439 0.000 3.087 201 T HA 0.164 4.515 4.350 0.003 0.000 0.283 201 T C 0.617 175.207 174.700 -0.183 0.000 0.956 201 T CA 0.215 62.188 62.100 -0.212 0.000 0.894 201 T CB -0.167 68.629 68.868 -0.121 0.000 1.160 201 T HN 0.517 nan 8.240 nan 0.000 0.532 202 S N 1.633 117.169 115.700 -0.275 0.000 2.430 202 S HA 0.288 4.760 4.470 0.003 0.000 0.282 202 S C 1.313 175.866 174.600 -0.077 0.000 1.186 202 S CA -0.573 57.532 58.200 -0.158 0.000 1.060 202 S CB 0.988 64.080 63.200 -0.181 0.000 0.966 202 S HN 0.531 nan 8.310 nan 0.000 0.501 203 K N 5.555 125.941 120.400 -0.023 0.000 2.026 203 K HA -0.019 4.303 4.320 0.003 0.000 0.208 203 K C -1.056 175.573 176.600 0.048 0.000 1.048 203 K CA 1.606 57.906 56.287 0.022 0.000 0.929 203 K CB -0.783 31.738 32.500 0.035 0.000 0.713 203 K HN 0.457 nan 8.250 nan 0.000 0.439 204 P HA -0.178 nan 4.420 nan 0.000 0.215 204 P C 1.284 178.645 177.300 0.101 0.000 1.153 204 P CA 0.965 64.097 63.100 0.052 0.000 0.853 204 P CB 0.024 31.729 31.700 0.009 0.000 0.788 205 L N -1.061 120.206 121.223 0.074 0.000 2.072 205 L HA -0.034 4.308 4.340 0.003 0.000 0.205 205 L C 2.247 179.259 176.870 0.236 0.000 1.079 205 L CA 1.516 56.447 54.840 0.151 0.000 0.752 205 L CB -1.131 40.979 42.059 0.086 0.000 0.906 205 L HN -0.153 nan 8.230 nan 0.000 0.436 206 I N -0.354 120.297 120.570 0.135 0.000 2.179 206 I HA -0.290 3.882 4.170 0.003 0.000 0.242 206 I C 1.941 178.205 176.117 0.246 0.000 1.088 206 I CA 1.423 62.825 61.300 0.170 0.000 1.357 206 I CB -0.427 37.625 38.000 0.086 0.000 1.051 206 I HN 0.267 nan 8.210 nan 0.000 0.409 207 D N -0.196 120.344 120.400 0.233 0.000 2.117 207 D HA -0.149 4.493 4.640 0.003 0.000 0.198 207 D C 0.946 177.502 176.300 0.428 0.000 0.982 207 D CA 0.742 54.924 54.000 0.303 0.000 0.828 207 D CB -0.362 40.577 40.800 0.232 0.000 0.967 207 D HN 0.206 nan 8.370 nan 0.000 0.464 211 Y N 1.074 121.530 120.300 0.259 0.000 2.242 211 Y HA -0.098 4.454 4.550 0.003 0.000 0.291 211 Y C 2.696 178.461 175.900 -0.224 0.000 1.137 211 Y CA 1.906 60.099 58.100 0.154 0.000 1.181 211 Y CB -0.152 38.408 38.460 0.167 0.000 0.989 211 Y HN 0.227 nan 8.280 nan 0.000 0.527 212 H N -1.424 117.584 119.070 -0.103 0.000 2.470 212 H HA -0.030 4.528 4.556 0.003 0.000 0.289 212 H C 2.238 177.242 175.328 -0.541 0.000 1.033 212 H CA 1.569 57.463 56.048 -0.256 0.000 1.331 212 H CB 0.055 29.636 29.762 -0.302 0.000 1.414 212 H HN 0.365 nan 8.280 nan 0.000 0.545 213 V N -1.392 118.356 119.914 -0.276 0.000 3.129 213 V HA 0.143 4.265 4.120 0.003 0.000 0.259 213 V C 2.560 178.256 176.094 -0.664 0.000 1.116 213 V CA 0.970 62.933 62.300 -0.562 0.000 1.127 213 V CB -0.667 31.064 31.823 -0.152 0.000 0.742 213 V HN 0.257 nan 8.190 nan 0.000 0.474 214 A N 1.732 124.152 122.820 -0.666 0.000 1.873 214 A HA -0.102 4.220 4.320 0.003 0.000 0.218 214 A C 0.771 178.004 177.584 -0.584 0.000 1.193 214 A CA 2.445 54.004 52.037 -0.796 0.000 0.629 214 A CB -2.083 15.866 19.000 -1.753 0.000 0.826 214 A HN 0.633 nan 8.150 nan 0.000 0.447 215 P HA -0.115 nan 4.420 nan 0.000 0.218 215 P C 1.002 178.246 177.300 -0.093 0.000 1.149 215 P CA 0.941 63.894 63.100 -0.246 0.000 0.817 215 P CB -0.246 31.346 31.700 -0.179 0.000 0.785 216 F N -0.801 119.021 119.950 -0.213 0.000 2.171 216 F HA -0.072 4.457 4.527 0.003 0.000 0.300 216 F C 2.366 177.997 175.800 -0.283 0.000 1.090 216 F CA 0.242 58.096 58.000 -0.244 0.000 1.293 216 F CB -1.822 36.986 39.000 -0.319 0.000 1.013 216 F HN -0.119 nan 8.300 nan 0.000 0.486 217 I N -0.318 120.116 120.570 -0.226 0.000 2.233 217 I HA -0.242 3.930 4.170 0.003 0.000 0.243 217 I C 2.369 178.433 176.117 -0.088 0.000 1.093 217 I CA 1.054 62.168 61.300 -0.309 0.000 1.380 217 I CB -0.470 37.213 38.000 -0.528 0.000 1.067 217 I HN 0.012 nan 8.210 nan 0.000 0.413 218 I N 1.154 121.665 120.570 -0.098 0.000 2.194 218 I HA -0.335 3.836 4.170 0.003 0.000 0.246 218 I C 2.778 178.898 176.117 0.004 0.000 1.093 218 I CA 1.568 62.849 61.300 -0.031 0.000 1.355 218 I CB -0.486 37.491 38.000 -0.038 0.000 1.046 218 I HN 0.200 nan 8.210 nan 0.000 0.413 219 A N -0.138 122.684 122.820 0.003 0.000 2.019 219 A HA -0.230 4.091 4.320 0.003 0.000 0.219 219 A C 2.175 179.768 177.584 0.015 0.000 1.164 219 A CA 1.479 53.523 52.037 0.013 0.000 0.644 219 A CB -0.468 18.542 19.000 0.017 0.000 0.805 219 A HN 0.535 nan 8.150 nan 0.000 0.449 220 Q N -1.125 118.696 119.800 0.034 0.000 2.425 220 Q HA 0.117 4.459 4.340 0.003 0.000 0.204 220 Q C -0.018 176.034 176.000 0.086 0.000 0.933 220 Q CA 0.157 55.995 55.803 0.060 0.000 0.939 220 Q CB 0.065 28.875 28.738 0.120 0.000 1.044 220 Q HN 0.689 nan 8.270 nan 0.000 0.513 224 L N 1.258 122.581 121.223 0.168 0.000 2.319 224 L HA 0.483 4.824 4.340 0.003 0.000 0.281 224 L C -0.544 176.418 176.870 0.155 0.000 1.005 224 L CA 0.012 54.950 54.840 0.164 0.000 0.828 224 L CB 1.402 43.510 42.059 0.080 0.000 1.227 224 L HN 0.299 nan 8.230 nan 0.000 0.415 225 Q N 4.216 124.088 119.800 0.121 0.000 2.235 225 Q HA 0.498 4.840 4.340 0.003 0.000 0.250 225 Q C -1.460 174.497 176.000 -0.071 0.000 0.909 225 Q CA -0.172 55.705 55.803 0.123 0.000 0.910 225 Q CB 1.721 30.541 28.738 0.137 0.000 1.223 225 Q HN 0.530 nan 8.270 nan 0.000 0.432 226 F N 0.120 120.088 119.950 0.030 0.000 2.507 226 F HA 0.197 4.725 4.527 0.003 0.000 0.325 226 F C 0.046 175.816 175.800 -0.049 0.000 1.116 226 F CA -0.959 57.049 58.000 0.014 0.000 0.930 226 F CB 1.338 40.326 39.000 -0.021 0.000 1.146 226 F HN 0.579 nan 8.300 nan 0.000 0.447 227 H N 2.320 121.443 119.070 0.087 0.000 2.964 227 H HA 0.479 5.037 4.556 0.003 0.000 0.328 227 H C -1.167 174.179 175.328 0.031 0.000 1.030 227 H CA 0.318 56.370 56.048 0.007 0.000 1.445 227 H CB 0.596 30.365 29.762 0.012 0.000 1.449 227 H HN 0.368 nan 8.280 nan 0.000 0.581 228 V N 5.691 125.408 119.914 -0.327 0.000 2.638 228 V HA 0.527 4.649 4.120 0.003 0.000 0.306 228 V C 0.844 176.905 176.094 -0.054 0.000 1.052 228 V CA 0.061 62.309 62.300 -0.086 0.000 0.885 228 V CB 1.153 32.961 31.823 -0.025 0.000 0.999 228 V HN 1.285 nan 8.190 nan 0.000 0.424 229 G N 3.349 112.250 108.800 0.168 0.000 2.512 229 G HA2 -0.282 3.679 3.960 0.003 0.000 0.254 229 G HA3 -0.282 3.679 3.960 0.003 0.000 0.254 229 G C -0.138 174.975 174.900 0.354 0.000 1.199 229 G CA 0.212 45.500 45.100 0.314 0.000 0.941 229 G HN 1.513 nan 8.290 nan 0.000 0.569 230 Y N 3.183 123.611 120.300 0.213 0.000 2.585 230 Y HA 0.259 4.811 4.550 0.003 0.000 0.413 230 Y C 1.046 177.118 175.900 0.286 0.000 1.201 230 Y CA 1.341 59.572 58.100 0.218 0.000 1.634 230 Y CB -0.690 37.886 38.460 0.193 0.000 1.116 230 Y HN 1.499 nan 8.280 nan 0.000 0.474 231 G N 4.678 113.738 108.800 0.434 0.000 3.086 231 G HA2 0.467 4.429 3.960 0.003 0.000 0.282 231 G HA3 0.467 4.429 3.960 0.003 0.000 0.282 231 G C -1.006 174.035 174.900 0.235 0.000 1.343 231 G CA -0.486 44.775 45.100 0.269 0.000 0.895 231 G HN 0.568 nan 8.290 nan 0.000 0.557 232 D N -1.092 119.430 120.400 0.204 0.000 2.433 232 D HA 0.460 5.102 4.640 0.003 0.000 0.255 232 D C 1.461 177.835 176.300 0.122 0.000 1.226 232 D CA 0.179 54.247 54.000 0.114 0.000 1.015 232 D CB 0.914 41.737 40.800 0.039 0.000 1.091 232 D HN 0.515 nan 8.370 nan 0.000 0.527 233 A N -0.396 122.475 122.820 0.086 0.000 2.121 233 A HA -0.126 4.196 4.320 0.003 0.000 0.218 233 A C 1.369 179.005 177.584 0.086 0.000 1.154 233 A CA 1.168 53.258 52.037 0.088 0.000 0.679 233 A CB -0.501 18.546 19.000 0.079 0.000 0.795 233 A HN 0.528 nan 8.150 nan 0.000 0.458 234 D N -0.427 120.023 120.400 0.083 0.000 2.340 234 D HA 0.048 4.690 4.640 0.003 0.000 0.220 234 D C 0.012 176.375 176.300 0.105 0.000 1.039 234 D CA 0.501 54.549 54.000 0.080 0.000 0.866 234 D CB 0.064 40.899 40.800 0.059 0.000 0.913 234 D HN 0.230 nan 8.370 nan 0.000 0.523 235 T N 1.046 115.683 114.554 0.139 0.000 2.856 235 T HA 0.120 4.471 4.350 0.003 0.000 0.292 235 T C 0.104 174.885 174.700 0.135 0.000 0.980 235 T CA -0.484 61.709 62.100 0.155 0.000 1.091 235 T CB 2.051 71.028 68.868 0.181 0.000 0.936 235 T HN -0.072 nan 8.240 nan 0.000 0.503 239 L N 0.104 121.402 121.223 0.126 0.000 2.611 239 L HA 0.324 4.666 4.340 0.003 0.000 0.229 239 L C 1.736 178.578 176.870 -0.047 0.000 1.137 239 L CA 0.925 55.779 54.840 0.024 0.000 0.901 239 L CB 0.133 42.246 42.059 0.089 0.000 1.098 239 L HN 0.413 nan 8.230 nan 0.000 0.456 240 G N -0.723 108.049 108.800 -0.047 0.000 3.189 240 G HA2 -0.100 3.862 3.960 0.003 0.000 0.225 240 G HA3 -0.100 3.862 3.960 0.003 0.000 0.225 240 G C 0.498 175.187 174.900 -0.351 0.000 1.159 240 G CA -0.286 44.785 45.100 -0.049 0.000 0.763 240 G HN 0.158 nan 8.290 nan 0.000 0.549 241 N N 1.662 119.907 118.700 -0.759 0.000 2.431 241 N HA 0.112 4.854 4.740 0.003 0.000 0.265 241 N C -1.215 173.976 175.510 -0.532 0.000 1.184 241 N CA -1.871 50.464 53.050 -1.192 0.000 0.943 241 N CB 2.058 39.900 38.487 -1.075 0.000 1.080 241 N HN -0.013 nan 8.380 nan 0.000 0.477 242 P HA -0.060 nan 4.420 nan 0.000 0.233 242 P C 1.430 178.606 177.300 -0.207 0.000 1.167 242 P CA 0.578 63.528 63.100 -0.251 0.000 0.770 242 P CB 0.365 31.951 31.700 -0.189 0.000 0.837 243 L N -1.280 119.827 121.223 -0.194 0.000 2.187 243 L HA -0.111 4.231 4.340 0.003 0.000 0.213 243 L C 1.781 178.598 176.870 -0.088 0.000 1.100 243 L CA 0.738 55.514 54.840 -0.108 0.000 0.765 243 L CB -0.870 41.123 42.059 -0.110 0.000 0.904 243 L HN -0.010 nan 8.230 nan 0.000 0.437 247 D N -0.192 120.218 120.400 0.017 0.000 2.104 247 D HA -0.219 4.423 4.640 0.003 0.000 0.194 247 D C 1.527 177.851 176.300 0.039 0.000 0.994 247 D CA 1.748 55.777 54.000 0.048 0.000 0.830 247 D CB -0.033 40.821 40.800 0.089 0.000 0.959 247 D HN 0.335 nan 8.370 nan 0.000 0.452 248 Y N 0.530 120.769 120.300 -0.102 0.000 2.181 248 Y HA -0.088 4.464 4.550 0.003 0.000 0.288 248 Y C 1.944 177.728 175.900 -0.194 0.000 1.146 248 Y CA 1.360 59.346 58.100 -0.191 0.000 1.164 248 Y CB -0.145 38.151 38.460 -0.274 0.000 0.982 248 Y HN 0.038 nan 8.280 nan 0.000 0.515 249 L N -0.102 121.013 121.223 -0.179 0.000 2.046 249 L HA -0.238 4.104 4.340 0.003 0.000 0.208 249 L C 2.379 179.082 176.870 -0.279 0.000 1.077 249 L CA 1.603 56.194 54.840 -0.414 0.000 0.747 249 L CB -0.538 40.902 42.059 -1.032 0.000 0.896 249 L HN 0.133 nan 8.230 nan 0.000 0.432 250 K N 0.111 120.439 120.400 -0.120 0.000 2.097 250 K HA -0.133 4.189 4.320 0.003 0.000 0.206 250 K C 2.225 178.738 176.600 -0.145 0.000 1.049 250 K CA 1.325 57.651 56.287 0.064 0.000 0.933 250 K CB -0.209 32.346 32.500 0.091 0.000 0.717 250 K HN 0.285 nan 8.250 nan 0.000 0.442 251 A N 0.204 122.815 122.820 -0.349 0.000 1.930 251 A HA -0.090 4.232 4.320 0.003 0.000 0.217 251 A C 1.522 178.555 177.584 -0.919 0.000 1.175 251 A CA 1.344 52.954 52.037 -0.712 0.000 0.627 251 A CB -0.193 18.188 19.000 -1.031 0.000 0.815 251 A HN 0.219 nan 8.150 nan 0.000 0.443 252 F N -1.112 118.653 119.950 -0.308 0.000 2.747 252 F HA 0.064 4.593 4.527 0.003 0.000 0.305 252 F C 2.583 178.282 175.800 -0.169 0.000 1.065 252 F CA 0.919 58.739 58.000 -0.299 0.000 1.230 252 F CB -0.648 38.046 39.000 -0.511 0.000 1.027 252 F HN 0.223 nan 8.300 nan 0.000 0.607 253 T N -0.260 114.305 114.554 0.019 0.000 2.759 253 T HA -0.250 4.102 4.350 0.003 0.000 0.269 253 T C 1.772 176.504 174.700 0.054 0.000 1.042 253 T CA 1.763 63.895 62.100 0.053 0.000 1.140 253 T CB -0.583 68.331 68.868 0.076 0.000 0.864 253 T HN 0.372 nan 8.240 nan 0.000 0.455 254 K N 1.405 121.826 120.400 0.034 0.000 2.288 254 K HA 0.100 4.422 4.320 0.003 0.000 0.201 254 K C 2.051 178.657 176.600 0.010 0.000 1.048 254 K CA 0.830 57.126 56.287 0.016 0.000 0.956 254 K CB -0.131 32.365 32.500 -0.007 0.000 0.746 254 K HN 0.260 nan 8.250 nan 0.000 0.461 255 K N 0.046 120.455 120.400 0.016 0.000 2.487 255 K HA 0.105 4.427 4.320 0.003 0.000 0.192 255 K C 0.577 177.202 176.600 0.041 0.000 1.027 255 K CA 0.564 56.870 56.287 0.030 0.000 1.054 255 K CB 0.409 32.945 32.500 0.059 0.000 0.824 255 K HN 0.524 nan 8.250 nan 0.000 0.510 256 G N 1.461 110.288 108.800 0.046 0.000 2.184 256 G HA2 -0.200 3.761 3.960 0.003 0.000 0.206 256 G HA3 -0.200 3.761 3.960 0.003 0.000 0.206 256 G C -0.269 174.661 174.900 0.051 0.000 0.995 256 G CA -0.513 44.615 45.100 0.048 0.000 0.651 256 G HN 0.171 nan 8.290 nan 0.000 0.511 257 L N 1.930 123.183 121.223 0.050 0.000 2.410 257 L HA 0.518 4.859 4.340 0.003 0.000 0.273 257 L C 0.543 177.461 176.870 0.079 0.000 1.144 257 L CA 0.080 54.942 54.840 0.036 0.000 0.863 257 L CB 0.301 42.359 42.059 -0.002 0.000 1.140 257 L HN 0.157 nan 8.230 nan 0.000 0.463 258 K N 5.134 125.586 120.400 0.086 0.000 2.263 258 K HA 0.391 4.713 4.320 0.003 0.000 0.282 258 K C -1.048 175.646 176.600 0.157 0.000 1.089 258 K CA -0.517 55.850 56.287 0.133 0.000 0.907 258 K CB 1.031 33.556 32.500 0.042 0.000 1.148 258 K HN 0.396 nan 8.250 nan 0.000 0.470 259 V N 3.765 123.810 119.914 0.219 0.000 2.435 259 V HA 0.289 4.411 4.120 0.003 0.000 0.290 259 V C -0.199 176.067 176.094 0.285 0.000 1.030 259 V CA -0.921 61.533 62.300 0.258 0.000 0.881 259 V CB 1.792 33.745 31.823 0.216 0.000 0.983 259 V HN 0.391 nan 8.190 nan 0.000 0.445 260 V N 6.144 126.233 119.914 0.292 0.000 2.407 260 V HA 0.438 4.560 4.120 0.003 0.000 0.291 260 V C -0.246 176.002 176.094 0.257 0.000 1.018 260 V CA -0.549 61.918 62.300 0.278 0.000 0.842 260 V CB 1.622 33.598 31.823 0.255 0.000 0.996 260 V HN 0.640 nan 8.190 nan 0.000 0.426 261 L N 6.087 127.442 121.223 0.221 0.000 2.261 261 L HA 0.476 4.817 4.340 0.003 0.000 0.289 261 L C -0.346 176.570 176.870 0.077 0.000 1.059 261 L CA -0.200 54.722 54.840 0.138 0.000 0.816 261 L CB 0.651 42.767 42.059 0.096 0.000 1.191 261 L HN 0.447 nan 8.230 nan 0.000 0.431 262 L N 4.822 125.959 121.223 -0.143 0.000 2.326 262 L HA 0.380 4.722 4.340 0.003 0.000 0.278 262 L C 0.745 177.216 176.870 -0.664 0.000 1.092 262 L CA -0.404 54.126 54.840 -0.517 0.000 0.810 262 L CB 0.584 42.029 42.059 -1.023 0.000 1.153 262 L HN 0.718 nan 8.230 nan 0.000 0.439 263 H N 1.130 120.220 119.070 0.034 0.000 4.823 263 H HA -0.301 4.256 4.556 0.003 0.000 0.064 263 H C 1.625 177.061 175.328 0.180 0.000 0.599 263 H CA 0.859 56.945 56.048 0.063 0.000 0.956 263 H CB -1.185 28.541 29.762 -0.060 0.000 0.432 263 H HN 0.878 nan 8.280 nan 0.000 0.798 264 C N -1.512 117.940 119.300 0.253 0.000 5.885 264 C HA -0.329 4.132 4.460 0.003 0.000 0.328 264 C C 1.493 176.696 174.990 0.355 0.000 2.432 264 C CA 1.147 60.332 59.018 0.278 0.000 2.196 264 C CB -2.368 25.558 27.740 0.310 0.000 3.235 264 C HN 0.773 nan 8.230 nan 0.000 0.261 265 Y N 5.664 126.122 120.300 0.263 0.000 2.895 265 Y HA 0.162 4.714 4.550 0.003 0.000 0.334 265 Y C -0.807 175.117 175.900 0.039 0.000 1.261 265 Y CA 0.110 58.339 58.100 0.216 0.000 1.560 265 Y CB 0.606 39.135 38.460 0.115 0.000 1.253 265 Y HN 0.386 nan 8.280 nan 0.000 0.582 266 P HA -0.016 nan 4.420 nan 0.000 0.257 266 P C -0.757 176.173 177.300 -0.618 0.000 1.325 266 P CA 0.764 63.270 63.100 -0.990 0.000 0.850 266 P CB -0.116 30.919 31.700 -1.108 0.000 1.324 267 Y N -0.090 120.149 120.300 -0.102 0.000 2.746 267 Y HA 0.101 4.652 4.550 0.003 0.000 0.312 267 Y C 2.437 178.244 175.900 -0.156 0.000 1.117 267 Y CA -0.624 57.371 58.100 -0.174 0.000 1.324 267 Y CB -1.022 37.365 38.460 -0.122 0.000 1.173 267 Y HN 0.166 nan 8.280 nan 0.000 0.529 268 H N -1.013 118.094 119.070 0.062 0.000 2.423 268 H HA -0.027 4.530 4.556 0.003 0.000 0.297 268 H C 1.563 176.875 175.328 -0.027 0.000 1.075 268 H CA 1.102 57.193 56.048 0.071 0.000 1.342 268 H CB -0.032 29.838 29.762 0.179 0.000 1.395 268 H HN 0.320 nan 8.280 nan 0.000 0.530 269 R N 0.642 120.891 120.500 -0.419 0.000 2.092 269 R HA -0.093 4.249 4.340 0.003 0.000 0.231 269 R C 2.239 178.453 176.300 -0.144 0.000 1.119 269 R CA 1.510 57.477 56.100 -0.221 0.000 0.970 269 R CB 0.097 30.260 30.300 -0.229 0.000 0.864 269 R HN 0.358 nan 8.270 nan 0.000 0.440 270 E N 0.545 120.668 120.200 -0.128 0.000 2.072 270 E HA -0.131 4.221 4.350 0.003 0.000 0.191 270 E C 1.907 178.449 176.600 -0.097 0.000 0.985 270 E CA 1.430 57.797 56.400 -0.055 0.000 0.801 270 E CB -0.220 29.448 29.700 -0.053 0.000 0.750 270 E HN 0.334 nan 8.360 nan 0.000 0.452 271 A N 0.618 123.302 122.820 -0.226 0.000 1.902 271 A HA -0.093 4.228 4.320 0.003 0.000 0.217 271 A C 2.446 179.544 177.584 -0.811 0.000 1.181 271 A CA 1.851 53.612 52.037 -0.460 0.000 0.623 271 A CB -1.270 17.442 19.000 -0.480 0.000 0.818 271 A HN 0.357 nan 8.150 nan 0.000 0.443 272 G N -1.710 106.586 108.800 -0.840 0.000 2.408 272 G HA2 -0.245 3.717 3.960 0.003 0.000 0.217 272 G HA3 -0.245 3.717 3.960 0.003 0.000 0.217 272 G C 1.523 176.242 174.900 -0.301 0.000 1.150 272 G CA 1.241 45.946 45.100 -0.659 0.000 0.776 272 G HN 0.614 nan 8.290 nan 0.000 0.542 273 Y N 1.381 121.526 120.300 -0.258 0.000 2.081 273 Y HA -0.139 4.412 4.550 0.003 0.000 0.280 273 Y C 2.512 178.338 175.900 -0.124 0.000 1.163 273 Y CA 1.642 59.644 58.100 -0.164 0.000 1.135 273 Y CB -0.464 37.915 38.460 -0.134 0.000 0.970 273 Y HN 0.116 nan 8.280 nan 0.000 0.498 274 L N 0.067 121.054 121.223 -0.394 0.000 2.079 274 L HA -0.241 4.100 4.340 0.003 0.000 0.210 274 L C 2.807 179.551 176.870 -0.210 0.000 1.081 274 L CA 1.223 55.889 54.840 -0.290 0.000 0.752 274 L CB -1.025 40.966 42.059 -0.113 0.000 0.896 274 L HN 0.396 nan 8.230 nan 0.000 0.433 275 A N -0.107 122.558 122.820 -0.259 0.000 1.972 275 A HA -0.201 4.121 4.320 0.003 0.000 0.219 275 A C 2.498 179.966 177.584 -0.193 0.000 1.169 275 A CA 1.818 53.749 52.037 -0.177 0.000 0.635 275 A CB -0.579 18.370 19.000 -0.084 0.000 0.810 275 A HN 0.521 nan 8.150 nan 0.000 0.446 276 S N -0.550 114.993 115.700 -0.262 0.000 2.489 276 S HA 0.004 4.475 4.470 0.003 0.000 0.228 276 S C 1.336 175.764 174.600 -0.286 0.000 0.995 276 S CA 1.265 59.319 58.200 -0.244 0.000 0.934 276 S CB -0.348 62.722 63.200 -0.216 0.000 0.771 276 S HN 1.108 nan 8.310 nan 0.000 0.522 277 V N -3.859 115.820 119.914 -0.392 0.000 3.548 277 V HA 0.573 4.695 4.120 0.003 0.000 0.279 277 V C -0.159 175.594 176.094 -0.569 0.000 1.446 277 V CA -0.688 61.329 62.300 -0.471 0.000 1.023 277 V CB -0.697 30.767 31.823 -0.599 0.000 0.820 277 V HN 0.258 nan 8.190 nan 0.000 0.438 278 F N 2.987 122.795 119.950 -0.237 0.000 2.480 278 F HA 0.807 5.336 4.527 0.003 0.000 0.329 278 F C -2.256 173.446 175.800 -0.163 0.000 1.091 278 F CA -2.731 55.164 58.000 -0.175 0.000 0.972 278 F CB 1.799 40.701 39.000 -0.163 0.000 1.150 278 F HN -0.087 nan 8.300 nan 0.000 0.467 279 P HA 0.065 nan 4.420 nan 0.000 0.274 279 P C -0.496 176.803 177.300 -0.002 0.000 1.237 279 P CA -0.039 63.059 63.100 -0.004 0.000 0.793 279 P CB 0.607 32.314 31.700 0.012 0.000 0.977 280 N N -1.794 116.867 118.700 -0.066 0.000 2.741 280 N HA -0.189 4.553 4.740 0.003 0.000 0.250 280 N C -0.569 174.922 175.510 -0.032 0.000 1.115 280 N CA 0.655 53.716 53.050 0.018 0.000 0.724 280 N CB -1.662 36.889 38.487 0.107 0.000 1.090 280 N HN 0.370 nan 8.380 nan 0.000 0.558 281 L N 1.043 122.095 121.223 -0.286 0.000 2.319 281 L HA 0.498 4.840 4.340 0.003 0.000 0.281 281 L C -0.807 175.874 176.870 -0.315 0.000 1.005 281 L CA -0.711 54.037 54.840 -0.153 0.000 0.828 281 L CB 0.755 42.768 42.059 -0.077 0.000 1.227 281 L HN 0.039 nan 8.230 nan 0.000 0.415 282 Y N 4.853 125.217 120.300 0.107 0.000 2.587 282 Y HA 0.787 5.338 4.550 0.003 0.000 0.337 282 Y C -0.316 175.752 175.900 0.280 0.000 1.065 282 Y CA -0.691 57.498 58.100 0.150 0.000 1.126 282 Y CB 1.844 40.313 38.460 0.014 0.000 1.279 282 Y HN 0.533 nan 8.280 nan 0.000 0.489 283 F N -0.902 119.134 119.950 0.143 0.000 2.713 283 F HA 0.722 5.250 4.527 0.003 0.000 0.311 283 F C -2.013 173.855 175.800 0.113 0.000 1.141 283 F CA -1.398 56.660 58.000 0.097 0.000 0.939 283 F CB 1.392 40.427 39.000 0.058 0.000 1.325 283 F HN 0.453 nan 8.300 nan 0.000 0.453 284 D N 0.566 121.038 120.400 0.119 0.000 2.552 284 D HA 0.582 5.223 4.640 0.003 0.000 0.239 284 D C -1.007 175.404 176.300 0.185 0.000 1.139 284 D CA -0.712 53.312 54.000 0.040 0.000 0.914 284 D CB 2.170 43.029 40.800 0.099 0.000 1.461 284 D HN 0.912 nan 8.370 nan 0.000 0.462 285 I N -0.698 119.991 120.570 0.198 0.000 2.555 285 I HA 0.508 4.679 4.170 0.003 0.000 0.275 285 I C -0.284 175.949 176.117 0.195 0.000 1.082 285 I CA -0.556 60.898 61.300 0.258 0.000 1.167 285 I CB 0.707 38.884 38.000 0.296 0.000 1.312 285 I HN 0.439 nan 8.210 nan 0.000 0.493 286 S N 4.503 120.306 115.700 0.171 0.000 2.505 286 S HA 0.472 4.943 4.470 0.003 0.000 0.273 286 S C 1.065 175.746 174.600 0.136 0.000 1.123 286 S CA -0.182 58.077 58.200 0.099 0.000 1.006 286 S CB 0.760 64.027 63.200 0.111 0.000 1.243 286 S HN 0.674 nan 8.310 nan 0.000 0.498 287 L N -0.540 120.722 121.223 0.066 0.000 3.275 287 L HA -0.245 4.097 4.340 0.003 0.000 0.212 287 L C 1.853 178.794 176.870 0.117 0.000 3.334 287 L CA 2.398 57.227 54.840 -0.019 0.000 0.606 287 L CB -1.377 40.491 42.059 -0.318 0.000 2.475 287 L HN 0.758 nan 8.230 nan 0.000 0.415 288 L N -0.702 120.611 121.223 0.151 0.000 2.012 288 L HA -0.222 4.119 4.340 0.003 0.000 0.210 288 L C 1.919 178.798 176.870 0.016 0.000 1.073 288 L CA 2.819 57.656 54.840 -0.005 0.000 0.748 288 L CB -1.135 40.830 42.059 -0.157 0.000 0.891 288 L HN 0.483 nan 8.230 nan 0.000 0.431 289 D N -0.228 120.228 120.400 0.094 0.000 2.348 289 D HA -0.106 4.536 4.640 0.003 0.000 0.216 289 D C 1.659 178.040 176.300 0.135 0.000 0.970 289 D CA 0.779 54.864 54.000 0.140 0.000 0.889 289 D CB 0.140 41.106 40.800 0.277 0.000 0.912 289 D HN 0.634 nan 8.370 nan 0.000 0.524 290 N N -0.509 118.264 118.700 0.122 0.000 2.499 290 N HA -0.001 4.741 4.740 0.003 0.000 0.182 290 N C 1.480 177.061 175.510 0.118 0.000 1.034 290 N CA 0.326 53.468 53.050 0.154 0.000 0.882 290 N CB -0.512 38.096 38.487 0.202 0.000 1.125 290 N HN 0.128 nan 8.380 nan 0.000 0.436 291 L N -0.443 120.838 121.223 0.097 0.000 2.558 291 L HA 0.374 4.716 4.340 0.003 0.000 0.225 291 L C 0.682 177.572 176.870 0.033 0.000 1.128 291 L CA 0.414 55.296 54.840 0.070 0.000 0.868 291 L CB -0.000 42.144 42.059 0.143 0.000 1.006 291 L HN 0.311 nan 8.230 nan 0.000 0.454 292 G N 0.373 109.167 108.800 -0.010 0.000 5.001 292 G HA2 0.241 4.203 3.960 0.003 0.000 0.304 292 G HA3 0.241 4.203 3.960 0.003 0.000 0.304 292 G C -1.804 173.064 174.900 -0.053 0.000 1.400 292 G CA -0.469 44.573 45.100 -0.098 0.000 1.029 292 G HN -0.052 nan 8.290 nan 0.000 0.584 293 P HA -0.142 nan 4.420 nan 0.000 0.218 293 P C 2.034 179.353 177.300 0.031 0.000 1.149 293 P CA 1.441 64.563 63.100 0.037 0.000 0.817 293 P CB 0.261 31.997 31.700 0.060 0.000 0.785 294 S N -0.826 114.883 115.700 0.016 0.000 2.507 294 S HA 0.008 4.480 4.470 0.003 0.000 0.235 294 S C 2.111 176.721 174.600 0.017 0.000 0.988 294 S CA 1.068 59.281 58.200 0.021 0.000 0.944 294 S CB -1.536 61.674 63.200 0.018 0.000 0.762 294 S HN 0.243 nan 8.310 nan 0.000 0.526 295 G N 0.140 108.935 108.800 -0.008 0.000 2.986 295 G HA2 0.470 4.432 3.960 0.003 0.000 0.213 295 G HA3 0.470 4.432 3.960 0.003 0.000 0.213 295 G C 1.377 176.282 174.900 0.007 0.000 1.156 295 G CA 0.276 45.370 45.100 -0.010 0.000 0.763 295 G HN 0.632 nan 8.290 nan 0.000 0.547 296 A N 1.202 124.039 122.820 0.029 0.000 1.883 296 A HA -0.042 4.280 4.320 0.003 0.000 0.217 296 A C 2.645 180.289 177.584 0.100 0.000 1.186 296 A CA 2.353 54.437 52.037 0.077 0.000 0.624 296 A CB -0.590 18.475 19.000 0.109 0.000 0.822 296 A HN 0.285 nan 8.150 nan 0.000 0.444 297 S N -0.454 115.291 115.700 0.075 0.000 2.355 297 S HA -0.163 4.308 4.470 0.003 0.000 0.222 297 S C 2.123 176.805 174.600 0.137 0.000 1.031 297 S CA 1.443 59.696 58.200 0.089 0.000 0.993 297 S CB -0.383 62.852 63.200 0.059 0.000 0.859 297 S HN 0.826 nan 8.310 nan 0.000 0.453 298 R N 1.182 121.745 120.500 0.104 0.000 2.092 298 R HA 0.019 4.361 4.340 0.003 0.000 0.231 298 R C 1.893 178.262 176.300 0.114 0.000 1.119 298 R CA 1.294 57.460 56.100 0.111 0.000 0.970 298 R CB -0.859 29.497 30.300 0.093 0.000 0.864 298 R HN 0.222 nan 8.270 nan 0.000 0.440 299 V N 1.134 121.089 119.914 0.068 0.000 2.343 299 V HA -0.213 3.908 4.120 0.003 0.000 0.247 299 V C 2.178 178.285 176.094 0.022 0.000 1.051 299 V CA 1.923 64.185 62.300 -0.064 0.000 1.036 299 V CB -0.757 30.946 31.823 -0.201 0.000 0.654 299 V HN 0.292 nan 8.190 nan 0.000 0.451 300 F N 1.881 121.820 119.950 -0.019 0.000 2.095 300 F HA -0.214 4.315 4.527 0.003 0.000 0.298 300 F C 2.361 178.126 175.800 -0.057 0.000 1.104 300 F CA 2.094 60.070 58.000 -0.040 0.000 1.232 300 F CB -0.354 38.560 39.000 -0.143 0.000 0.987 300 F HN 0.195 nan 8.300 nan 0.000 0.475 301 N N 0.750 119.511 118.700 0.102 0.000 2.069 301 N HA -0.189 4.552 4.740 0.003 0.000 0.191 301 N C 1.758 177.271 175.510 0.005 0.000 1.031 301 N CA 1.870 54.966 53.050 0.076 0.000 0.852 301 N CB -0.610 38.005 38.487 0.212 0.000 1.018 301 N HN 0.502 nan 8.380 nan 0.000 0.423 302 E N 0.663 120.912 120.200 0.081 0.000 2.077 302 E HA -0.065 4.287 4.350 0.003 0.000 0.193 302 E C 1.943 178.605 176.600 0.103 0.000 0.989 302 E CA 1.075 57.551 56.400 0.126 0.000 0.800 302 E CB -0.118 29.743 29.700 0.268 0.000 0.746 302 E HN 0.364 nan 8.360 nan 0.000 0.452 303 A N 1.069 123.971 122.820 0.137 0.000 1.978 303 A HA -0.142 4.180 4.320 0.003 0.000 0.220 303 A C 2.297 179.874 177.584 -0.013 0.000 1.170 303 A CA 1.616 53.742 52.037 0.149 0.000 0.636 303 A CB -0.454 18.667 19.000 0.203 0.000 0.810 303 A HN 0.246 nan 8.150 nan 0.000 0.448 304 V N -3.293 116.463 119.914 -0.263 0.000 3.444 304 V HA 0.203 4.325 4.120 0.003 0.000 0.308 304 V C 1.161 177.098 176.094 -0.261 0.000 1.371 304 V CA 0.699 62.772 62.300 -0.378 0.000 1.141 304 V CB -0.440 30.944 31.823 -0.733 0.000 1.037 304 V HN 0.491 nan 8.190 nan 0.000 0.433 305 E N 1.074 121.203 120.200 -0.119 0.000 2.085 305 E HA -0.114 4.238 4.350 0.003 0.000 0.194 305 E C 1.762 178.320 176.600 -0.070 0.000 0.994 305 E CA 2.017 58.386 56.400 -0.053 0.000 0.801 305 E CB -0.047 29.644 29.700 -0.016 0.000 0.743 305 E HN 0.638 nan 8.360 nan 0.000 0.453 306 L N -0.778 120.392 121.223 -0.089 0.000 2.749 306 L HA 0.294 4.636 4.340 0.003 0.000 0.242 306 L C 0.843 177.630 176.870 -0.139 0.000 1.103 306 L CA -0.443 54.350 54.840 -0.079 0.000 0.906 306 L CB 0.370 42.423 42.059 -0.010 0.000 1.228 306 L HN -0.058 nan 8.230 nan 0.000 0.517 307 A N 1.206 123.922 122.820 -0.173 0.000 2.425 307 A HA 0.431 4.752 4.320 0.003 0.000 0.242 307 A C -2.271 175.143 177.584 -0.283 0.000 1.077 307 A CA -0.796 51.145 52.037 -0.160 0.000 0.781 307 A CB -0.510 18.507 19.000 0.027 0.000 1.020 307 A HN -0.070 nan 8.150 nan 0.000 0.494 308 P HA 0.183 nan 4.420 nan 0.000 0.275 308 P C -0.303 176.821 177.300 -0.294 0.000 1.227 308 P CA 0.041 63.004 63.100 -0.229 0.000 0.781 308 P CB 0.161 31.803 31.700 -0.097 0.000 0.906 309 Y N 0.214 120.298 120.300 -0.361 0.000 2.497 309 Y HA -0.136 4.416 4.550 0.003 0.000 0.292 309 Y C 2.191 178.004 175.900 -0.145 0.000 1.137 309 Y CA 1.702 59.571 58.100 -0.385 0.000 1.285 309 Y CB -1.037 36.817 38.460 -1.010 0.000 0.991 309 Y HN 0.334 nan 8.280 nan 0.000 0.556 310 T N -2.881 111.705 114.554 0.053 0.000 3.194 310 T HA 0.090 4.442 4.350 0.003 0.000 0.251 310 T C 1.503 176.282 174.700 0.130 0.000 1.132 310 T CA 0.148 62.325 62.100 0.128 0.000 1.028 310 T CB 0.072 69.034 68.868 0.157 0.000 0.976 310 T HN 0.098 nan 8.240 nan 0.000 0.535 311 R N -0.105 120.432 120.500 0.061 0.000 2.419 311 R HA 0.478 4.820 4.340 0.003 0.000 0.235 311 R C 0.368 176.702 176.300 0.056 0.000 0.899 311 R CA -0.247 55.893 56.100 0.068 0.000 1.048 311 R CB 0.310 30.587 30.300 -0.039 0.000 1.182 311 R HN 0.452 nan 8.270 nan 0.000 0.544 312 I N 1.871 122.373 120.570 -0.113 0.000 2.385 312 I HA 0.301 4.473 4.170 0.003 0.000 0.294 312 I C -0.875 175.204 176.117 -0.064 0.000 0.988 312 I CA -0.595 60.458 61.300 -0.412 0.000 1.265 312 I CB 0.803 38.452 38.000 -0.585 0.000 1.388 312 I HN -0.155 nan 8.210 nan 0.000 0.480 313 L N 6.879 128.047 121.223 -0.092 0.000 2.341 313 L HA 0.430 4.772 4.340 0.003 0.000 0.267 313 L C -0.781 176.105 176.870 0.027 0.000 1.009 313 L CA -0.857 53.983 54.840 -0.001 0.000 0.819 313 L CB 1.844 43.780 42.059 -0.204 0.000 1.323 313 L HN 0.474 nan 8.230 nan 0.000 0.425 314 F N 2.163 122.043 119.950 -0.117 0.000 2.456 314 F HA 0.617 5.146 4.527 0.003 0.000 0.358 314 F C 0.072 175.823 175.800 -0.081 0.000 1.095 314 F CA -0.288 57.440 58.000 -0.454 0.000 1.216 314 F CB 0.773 39.523 39.000 -0.417 0.000 1.125 314 F HN 0.500 nan 8.300 nan 0.000 0.549 315 A N 3.626 125.707 122.820 -1.232 0.000 2.587 315 A HA 0.501 4.822 4.320 0.003 0.000 0.293 315 A C 0.053 176.948 177.584 -1.149 0.000 1.087 315 A CA -0.030 51.360 52.037 -1.079 0.000 0.692 315 A CB 1.010 19.769 19.000 -0.402 0.000 1.291 315 A HN 0.910 nan 8.150 nan 0.000 0.407 316 S N -0.144 115.148 115.700 -0.681 0.000 2.456 316 S HA 0.119 4.591 4.470 0.003 0.000 0.224 316 S C 0.628 175.120 174.600 -0.180 0.000 1.035 316 S CA 1.332 59.352 58.200 -0.300 0.000 0.940 316 S CB -0.160 62.967 63.200 -0.123 0.000 0.799 316 S HN 1.255 nan 8.310 nan 0.000 0.508 317 D N 1.161 121.478 120.400 -0.139 0.000 2.983 317 D HA -0.160 4.482 4.640 0.003 0.000 0.225 317 D C 0.079 176.325 176.300 -0.091 0.000 1.174 317 D CA 0.866 54.874 54.000 0.012 0.000 0.831 317 D CB -1.496 39.411 40.800 0.178 0.000 1.104 317 D HN 0.816 nan 8.370 nan 0.000 0.421 318 A N -0.284 122.304 122.820 -0.387 0.000 2.340 318 A HA 0.645 4.967 4.320 0.003 0.000 0.268 318 A C 0.715 178.109 177.584 -0.315 0.000 1.100 318 A CA 0.438 52.158 52.037 -0.528 0.000 0.803 318 A CB 0.991 19.265 19.000 -1.211 0.000 1.043 318 A HN 0.669 nan 8.150 nan 0.000 0.488 319 S N 0.362 116.037 115.700 -0.041 0.000 2.704 319 S HA 0.804 5.276 4.470 0.003 0.000 0.296 319 S C 0.531 175.253 174.600 0.202 0.000 1.138 319 S CA 0.394 58.717 58.200 0.206 0.000 0.875 319 S CB 1.354 64.754 63.200 0.333 0.000 1.151 319 S HN 1.597 nan 8.310 nan 0.000 0.500 320 T N -0.392 114.297 114.554 0.225 0.000 13.229 320 T HA -0.199 4.153 4.350 0.003 0.000 0.418 320 T C -0.729 173.997 174.700 0.044 0.000 1.449 320 T CA 2.021 64.139 62.100 0.029 0.000 2.373 320 T CB -1.984 66.834 68.868 -0.083 0.000 2.798 320 T HN 0.820 nan 8.240 nan 0.000 0.615 321 Y N 0.877 121.299 120.300 0.203 0.000 2.553 321 Y HA 0.473 5.024 4.550 0.003 0.000 0.347 321 Y C -2.148 173.819 175.900 0.112 0.000 1.019 321 Y CA -2.153 56.057 58.100 0.183 0.000 1.032 321 Y CB 1.368 39.898 38.460 0.118 0.000 1.284 321 Y HN -0.056 nan 8.280 nan 0.000 0.466 322 P HA -0.079 nan 4.420 nan 0.000 0.223 322 P C -0.223 176.936 177.300 -0.234 0.000 1.151 322 P CA 0.960 63.987 63.100 -0.120 0.000 0.787 322 P CB 0.674 32.181 31.700 -0.323 0.000 0.788 326 G N 0.800 109.476 108.800 -0.206 0.000 2.440 326 G HA2 -0.254 3.708 3.960 0.003 0.000 0.218 326 G HA3 -0.254 3.708 3.960 0.003 0.000 0.218 326 G C 1.495 176.141 174.900 -0.423 0.000 1.154 326 G CA 1.477 46.333 45.100 -0.408 0.000 0.767 326 G HN 0.212 nan 8.290 nan 0.000 0.552 327 L N 1.341 122.512 121.223 -0.088 0.000 2.083 327 L HA 0.163 4.504 4.340 0.003 0.000 0.209 327 L C 3.076 179.981 176.870 0.059 0.000 1.083 327 L CA 1.985 56.859 54.840 0.057 0.000 0.752 327 L CB -0.726 41.493 42.059 0.267 0.000 0.899 327 L HN 0.246 nan 8.230 nan 0.000 0.433 328 A N -0.484 122.392 122.820 0.094 0.000 1.883 328 A HA -0.151 4.170 4.320 0.003 0.000 0.217 328 A C 2.469 180.196 177.584 0.237 0.000 1.186 328 A CA 2.007 54.156 52.037 0.186 0.000 0.624 328 A CB -1.246 17.866 19.000 0.187 0.000 0.822 328 A HN 0.551 nan 8.150 nan 0.000 0.444 329 A N -0.400 122.462 122.820 0.071 0.000 1.883 329 A HA -0.198 4.124 4.320 0.003 0.000 0.217 329 A C 2.276 179.766 177.584 -0.158 0.000 1.186 329 A CA 1.887 53.803 52.037 -0.201 0.000 0.624 329 A CB -0.559 18.114 19.000 -0.545 0.000 0.822 329 A HN 0.578 nan 8.150 nan 0.000 0.444 330 R N -0.963 119.363 120.500 -0.290 0.000 2.080 330 R HA -0.186 4.156 4.340 0.003 0.000 0.236 330 R C 2.262 178.641 176.300 0.132 0.000 1.137 330 R CA 1.848 57.990 56.100 0.070 0.000 0.943 330 R CB -0.272 30.114 30.300 0.144 0.000 0.846 330 R HN 0.498 nan 8.270 nan 0.000 0.431 331 Q N -0.428 119.450 119.800 0.129 0.000 2.123 331 Q HA -0.146 4.196 4.340 0.003 0.000 0.199 331 Q C 1.881 177.977 176.000 0.159 0.000 0.966 331 Q CA 1.216 57.104 55.803 0.142 0.000 0.845 331 Q CB -0.383 28.442 28.738 0.146 0.000 0.907 331 Q HN 0.340 nan 8.270 nan 0.000 0.439 332 F N 1.841 121.835 119.950 0.073 0.000 2.113 332 F HA -0.138 4.391 4.527 0.004 0.000 0.297 332 F C 2.099 177.881 175.800 -0.029 0.000 1.103 332 F CA 1.364 59.403 58.000 0.066 0.000 1.248 332 F CB 0.125 39.264 39.000 0.233 0.000 0.999 332 F HN -0.048 nan 8.300 nan 0.000 0.475 333 K N -0.255 120.216 120.400 0.119 0.000 2.097 333 K HA -0.216 4.106 4.320 0.003 0.000 0.206 333 K C 2.083 178.670 176.600 -0.022 0.000 1.049 333 K CA 1.735 58.038 56.287 0.026 0.000 0.933 333 K CB -0.296 32.252 32.500 0.080 0.000 0.717 333 K HN 0.414 nan 8.250 nan 0.000 0.442 334 Q N 0.035 119.845 119.800 0.017 0.000 2.124 334 Q HA -0.143 4.199 4.340 0.003 0.000 0.202 334 Q C 2.133 178.094 176.000 -0.066 0.000 0.977 334 Q CA 1.486 57.294 55.803 0.009 0.000 0.850 334 Q CB -0.148 28.621 28.738 0.052 0.000 0.901 334 Q HN 0.342 nan 8.270 nan 0.000 0.429 335 A N 0.735 123.455 122.820 -0.166 0.000 1.902 335 A HA -0.174 4.147 4.320 0.003 0.000 0.217 335 A C 2.037 179.356 177.584 -0.442 0.000 1.181 335 A CA 1.140 53.001 52.037 -0.294 0.000 0.623 335 A CB -0.669 18.083 19.000 -0.413 0.000 0.818 335 A HN 0.297 nan 8.150 nan 0.000 0.443 336 L N -0.600 120.306 121.223 -0.530 0.000 2.017 336 L HA -0.166 4.176 4.340 0.003 0.000 0.208 336 L C 2.541 179.459 176.870 0.080 0.000 1.073 336 L CA 1.173 55.834 54.840 -0.297 0.000 0.745 336 L CB -0.680 41.283 42.059 -0.160 0.000 0.894 336 L HN 0.246 nan 8.230 nan 0.000 0.432 337 V N 0.206 120.145 119.914 0.042 0.000 2.295 337 V HA -0.306 3.816 4.120 0.003 0.000 0.246 337 V C 2.762 178.904 176.094 0.080 0.000 1.049 337 V CA 1.905 64.263 62.300 0.098 0.000 1.024 337 V CB -0.960 30.903 31.823 0.066 0.000 0.648 337 V HN 0.491 nan 8.190 nan 0.000 0.447 338 A N -0.784 122.056 122.820 0.033 0.000 1.930 338 A HA -0.271 4.050 4.320 0.003 0.000 0.217 338 A C 2.097 179.699 177.584 0.031 0.000 1.175 338 A CA 2.230 54.286 52.037 0.030 0.000 0.627 338 A CB -0.730 18.285 19.000 0.026 0.000 0.815 338 A HN 0.746 nan 8.150 nan 0.000 0.443 339 H N -1.868 117.148 119.070 -0.089 0.000 2.307 339 H HA 0.005 4.563 4.556 0.003 0.000 0.303 339 H C 1.456 176.665 175.328 -0.197 0.000 1.073 339 H CA 1.979 57.932 56.048 -0.159 0.000 1.338 339 H CB -0.221 29.385 29.762 -0.259 0.000 1.389 339 H HN 0.414 nan 8.280 nan 0.000 0.503 340 F N 0.067 120.074 119.950 0.096 0.000 2.512 340 F HA -0.015 4.513 4.527 0.002 0.000 0.296 340 F C 2.129 177.914 175.800 -0.026 0.000 1.110 340 F CA 0.408 58.429 58.000 0.034 0.000 1.446 340 F CB -0.321 38.731 39.000 0.087 0.000 1.092 340 F HN 0.192 nan 8.300 nan 0.000 0.554 341 N N 0.450 119.225 118.700 0.126 0.000 2.104 341 N HA -0.196 4.546 4.740 0.003 0.000 0.190 341 N C 1.964 177.481 175.510 0.010 0.000 1.024 341 N CA 1.869 54.956 53.050 0.061 0.000 0.853 341 N CB -0.614 37.898 38.487 0.041 0.000 1.008 341 N HN 0.459 nan 8.380 nan 0.000 0.424 342 Q N -0.254 119.525 119.800 -0.035 0.000 2.198 342 Q HA 0.314 4.656 4.340 0.003 0.000 0.209 342 Q C 0.355 176.288 176.000 -0.112 0.000 0.848 342 Q CA -0.274 55.490 55.803 -0.066 0.000 0.974 342 Q CB -0.394 28.304 28.738 -0.066 0.000 1.115 342 Q HN 0.269 nan 8.270 nan 0.000 0.494 343 L N 2.984 124.136 121.223 -0.117 0.000 2.513 343 L HA 0.282 4.623 4.340 0.003 0.000 0.272 343 L C -2.052 174.741 176.870 -0.129 0.000 1.187 343 L CA -1.511 53.242 54.840 -0.145 0.000 0.895 343 L CB 0.988 43.008 42.059 -0.066 0.000 1.147 343 L HN 0.166 nan 8.230 nan 0.000 0.483 344 P HA 0.230 nan 4.420 nan 0.000 0.276 344 P C 0.055 177.131 177.300 -0.373 0.000 1.261 344 P CA -0.127 62.650 63.100 -0.539 0.000 0.800 344 P CB 0.637 31.640 31.700 -1.162 0.000 1.066 345 F N -4.138 115.850 119.950 0.064 0.000 2.511 345 F HA -0.252 4.277 4.527 0.005 0.000 0.625 345 F C 0.852 176.681 175.800 0.048 0.000 0.499 345 F CA 1.074 59.114 58.000 0.066 0.000 1.029 345 F CB -2.396 36.664 39.000 0.101 0.000 1.823 345 F HN 0.276 nan 8.300 nan 0.000 0.261 346 V N -0.237 119.786 119.914 0.182 0.000 2.769 346 V HA 0.807 4.929 4.120 0.003 0.000 0.312 346 V C 0.112 176.196 176.094 -0.018 0.000 1.058 346 V CA -0.559 61.779 62.300 0.063 0.000 0.952 346 V CB 2.007 33.841 31.823 0.018 0.000 1.019 346 V HN 0.248 nan 8.190 nan 0.000 0.445 347 D N 2.091 122.441 120.400 -0.084 0.000 2.423 347 D HA 0.202 4.843 4.640 0.003 0.000 0.255 347 D C 0.904 177.119 176.300 -0.143 0.000 1.174 347 D CA -0.701 53.242 54.000 -0.094 0.000 1.008 347 D CB 1.026 41.772 40.800 -0.090 0.000 1.101 347 D HN 0.486 nan 8.370 nan 0.000 0.516 348 L N 0.859 122.003 121.223 -0.133 0.000 2.042 348 L HA -0.097 4.244 4.340 0.003 0.000 0.210 348 L C 2.183 178.900 176.870 -0.254 0.000 1.076 348 L CA 2.522 57.257 54.840 -0.175 0.000 0.749 348 L CB -1.241 40.729 42.059 -0.148 0.000 0.893 348 L HN 0.615 nan 8.230 nan 0.000 0.432 349 A N -1.156 121.527 122.820 -0.229 0.000 1.908 349 A HA -0.295 4.026 4.320 0.003 0.000 0.218 349 A C 2.272 179.659 177.584 -0.327 0.000 1.181 349 A CA 1.847 53.733 52.037 -0.251 0.000 0.627 349 A CB -0.708 18.181 19.000 -0.184 0.000 0.818 349 A HN 0.589 nan 8.150 nan 0.000 0.445 350 Q N 0.149 119.723 119.800 -0.376 0.000 2.079 350 Q HA -0.126 4.216 4.340 0.003 0.000 0.200 350 Q C 1.888 177.469 176.000 -0.698 0.000 0.974 350 Q CA 2.148 57.578 55.803 -0.622 0.000 0.840 350 Q CB -0.299 28.024 28.738 -0.692 0.000 0.898 350 Q HN 0.692 nan 8.270 nan 0.000 0.430 351 K N 0.090 120.215 120.400 -0.460 0.000 2.032 351 K HA -0.173 4.149 4.320 0.003 0.000 0.209 351 K C 2.148 178.439 176.600 -0.515 0.000 1.048 351 K CA 1.774 57.810 56.287 -0.418 0.000 0.927 351 K CB -0.141 32.220 32.500 -0.230 0.000 0.712 351 K HN 0.149 nan 8.250 nan 0.000 0.441 352 K N 0.494 120.594 120.400 -0.500 0.000 2.097 352 K HA -0.105 4.217 4.320 0.003 0.000 0.206 352 K C 2.271 178.750 176.600 -0.201 0.000 1.049 352 K CA 1.199 57.157 56.287 -0.548 0.000 0.933 352 K CB -0.169 31.804 32.500 -0.880 0.000 0.717 352 K HN 0.153 nan 8.250 nan 0.000 0.442 353 A N 1.011 123.688 122.820 -0.238 0.000 1.902 353 A HA -0.169 4.152 4.320 0.003 0.000 0.217 353 A C 1.718 179.296 177.584 -0.010 0.000 1.181 353 A CA 1.178 53.132 52.037 -0.138 0.000 0.623 353 A CB -0.692 18.164 19.000 -0.240 0.000 0.818 353 A HN 0.373 nan 8.150 nan 0.000 0.443 354 W N -0.195 120.985 121.300 -0.201 0.000 2.381 354 W HA -0.007 4.654 4.660 0.002 0.000 0.301 354 W C 2.119 178.536 176.519 -0.169 0.000 1.205 354 W CA 0.405 57.645 57.345 -0.175 0.000 1.285 354 W CB -1.073 28.213 29.460 -0.289 0.000 1.133 354 W HN 0.289 nan 8.180 nan 0.000 0.521 355 I N 0.702 121.215 120.570 -0.096 0.000 2.179 355 I HA -0.362 3.810 4.170 0.003 0.000 0.242 355 I C 2.252 178.445 176.117 0.127 0.000 1.088 355 I CA 1.314 62.623 61.300 0.014 0.000 1.357 355 I CB -0.641 37.383 38.000 0.039 0.000 1.051 355 I HN -0.077 nan 8.210 nan 0.000 0.409 356 N N 1.045 119.821 118.700 0.127 0.000 2.104 356 N HA -0.167 4.575 4.740 0.003 0.000 0.190 356 N C 1.918 177.154 175.510 -0.458 0.000 1.024 356 N CA 1.688 54.719 53.050 -0.030 0.000 0.853 356 N CB -0.399 38.143 38.487 0.091 0.000 1.008 356 N HN 0.377 nan 8.380 nan 0.000 0.424 357 A N 1.436 124.132 122.820 -0.206 0.000 1.873 357 A HA -0.133 4.189 4.320 0.003 0.000 0.218 357 A C 2.370 179.910 177.584 -0.073 0.000 1.193 357 A CA 1.253 53.195 52.037 -0.158 0.000 0.629 357 A CB -0.800 18.245 19.000 0.076 0.000 0.826 357 A HN 0.248 nan 8.150 nan 0.000 0.447 358 I N -0.870 119.756 120.570 0.094 0.000 2.252 358 I HA -0.288 3.884 4.170 0.003 0.000 0.245 358 I C 2.472 178.733 176.117 0.240 0.000 1.102 358 I CA 1.145 62.583 61.300 0.230 0.000 1.385 358 I CB -0.425 37.826 38.000 0.418 0.000 1.064 358 I HN 0.384 nan 8.210 nan 0.000 0.414 359 C N 0.055 119.478 119.300 0.205 0.000 2.457 359 C HA -0.074 4.388 4.460 0.003 0.000 0.278 359 C C 2.056 177.226 174.990 0.300 0.000 1.309 359 C CA 0.650 59.821 59.018 0.254 0.000 1.735 359 C CB -0.828 27.063 27.740 0.252 0.000 1.992 359 C HN 0.842 nan 8.230 nan 0.000 0.493 360 W N -1.780 119.585 121.300 0.109 0.000 3.641 360 W HA 0.155 4.816 4.660 0.002 0.000 0.167 360 W C 1.750 178.325 176.519 0.093 0.000 0.978 360 W CA 0.296 57.696 57.345 0.092 0.000 1.440 360 W CB -0.873 28.617 29.460 0.050 0.000 0.602 360 W HN 0.168 nan 8.180 nan 0.000 0.907 361 Q N 1.767 121.029 119.800 -0.896 0.000 2.083 361 Q HA -0.066 4.275 4.340 0.003 0.000 0.198 361 Q C 1.856 177.694 176.000 -0.269 0.000 0.969 361 Q CA 2.670 57.964 55.803 -0.849 0.000 0.838 361 Q CB -0.071 27.850 28.738 -1.362 0.000 0.900 361 Q HN 0.098 nan 8.270 nan 0.000 0.436 362 T N 0.239 114.678 114.554 -0.192 0.000 2.708 362 T HA -0.105 4.247 4.350 0.003 0.000 0.266 362 T C 2.009 176.656 174.700 -0.088 0.000 1.037 362 T CA 1.495 63.545 62.100 -0.084 0.000 1.146 362 T CB -0.237 68.626 68.868 -0.008 0.000 0.865 362 T HN 0.209 nan 8.240 nan 0.000 0.435 363 S N 1.240 116.931 115.700 -0.014 0.000 2.382 363 S HA -0.010 4.462 4.470 0.003 0.000 0.228 363 S C 2.560 177.267 174.600 0.179 0.000 1.027 363 S CA 0.864 59.133 58.200 0.115 0.000 0.991 363 S CB -0.520 62.790 63.200 0.184 0.000 0.823 363 S HN 0.585 nan 8.310 nan 0.000 0.469 364 A N 1.724 124.635 122.820 0.153 0.000 1.908 364 A HA -0.156 4.166 4.320 0.003 0.000 0.218 364 A C 2.065 179.703 177.584 0.091 0.000 1.181 364 A CA 1.535 53.680 52.037 0.179 0.000 0.627 364 A CB -0.379 18.794 19.000 0.288 0.000 0.818 364 A HN 0.455 nan 8.150 nan 0.000 0.445 365 K N -1.110 119.298 120.400 0.014 0.000 2.031 365 K HA -0.022 4.300 4.320 0.003 0.000 0.205 365 K C 1.900 178.360 176.600 -0.235 0.000 1.049 365 K CA 1.143 57.398 56.287 -0.054 0.000 0.939 365 K CB -0.335 32.144 32.500 -0.035 0.000 0.717 365 K HN 0.334 nan 8.250 nan 0.000 0.438 366 L N 0.216 121.268 121.223 -0.286 0.000 2.046 366 L HA -0.166 4.175 4.340 0.003 0.000 0.208 366 L C 1.377 177.853 176.870 -0.656 0.000 1.077 366 L CA 1.831 56.356 54.840 -0.524 0.000 0.747 366 L CB -0.273 41.374 42.059 -0.686 0.000 0.896 366 L HN 0.184 nan 8.230 nan 0.000 0.432 367 Y N -1.363 118.763 120.300 -0.290 0.000 2.458 367 Y HA 0.188 4.740 4.550 0.003 0.000 0.256 367 Y C 0.379 176.237 175.900 -0.070 0.000 1.159 367 Y CA -0.311 57.696 58.100 -0.155 0.000 1.261 367 Y CB -0.133 38.320 38.460 -0.012 0.000 1.119 367 Y HN 0.237 nan 8.280 nan 0.000 0.524 368 H N -0.400 118.752 119.070 0.136 0.000 2.826 368 H HA -0.165 4.393 4.556 0.003 0.000 0.306 368 H C -0.093 175.302 175.328 0.112 0.000 1.235 368 H CA 0.715 56.824 56.048 0.102 0.000 1.150 368 H CB -1.647 28.160 29.762 0.075 0.000 1.409 368 H HN 0.472 nan 8.280 nan 0.000 0.420 369 Q N 0.052 119.967 119.800 0.191 0.000 2.186 369 Q HA 0.104 4.446 4.340 0.003 0.000 0.241 369 Q C 1.304 177.393 176.000 0.150 0.000 0.849 369 Q CA -0.048 55.850 55.803 0.158 0.000 1.053 369 Q CB 0.629 29.453 28.738 0.144 0.000 1.146 369 Q HN 0.520 nan 8.270 nan 0.000 0.475 370 E N 1.075 121.368 120.200 0.156 0.000 2.097 370 E HA -0.205 4.147 4.350 0.003 0.000 0.196 370 E C 1.861 178.531 176.600 0.117 0.000 1.000 370 E CA 1.250 57.745 56.400 0.159 0.000 0.804 370 E CB -0.037 29.752 29.700 0.148 0.000 0.740 370 E HN 0.251 nan 8.360 nan 0.000 0.454 371 R N 0.792 121.346 120.500 0.090 0.000 2.105 371 R HA -0.206 4.136 4.340 0.003 0.000 0.239 371 R C 1.528 177.849 176.300 0.036 0.000 1.135 371 R CA 1.577 57.711 56.100 0.056 0.000 0.967 371 R CB 0.022 30.351 30.300 0.047 0.000 0.861 371 R HN 0.076 nan 8.270 nan 0.000 0.442 372 E N -0.015 120.211 120.200 0.043 0.000 2.274 372 E HA -0.065 4.287 4.350 0.003 0.000 0.194 372 E C 1.191 177.790 176.600 -0.001 0.000 0.996 372 E CA 0.526 56.938 56.400 0.020 0.000 0.840 372 E CB 0.164 29.882 29.700 0.030 0.000 0.772 372 E HN 0.223 nan 8.360 nan 0.000 0.491 373 L N 0.653 121.887 121.223 0.018 0.000 2.592 373 L HA 0.166 4.508 4.340 0.003 0.000 0.227 373 L C 0.152 176.924 176.870 -0.164 0.000 1.127 373 L CA 0.296 55.098 54.840 -0.064 0.000 0.884 373 L CB -0.336 41.775 42.059 0.087 0.000 1.065 373 L HN 0.015 nan 8.230 nan 0.000 0.457 374 R N -0.293 120.164 120.500 -0.072 0.000 2.570 374 R HA 0.166 4.508 4.340 0.003 0.000 0.277 374 R C 0.185 176.417 176.300 -0.114 0.000 1.039 374 R CA -0.250 55.804 56.100 -0.076 0.000 1.065 374 R CB 1.015 31.300 30.300 -0.024 0.000 0.964 374 R HN -0.140 nan 8.270 nan 0.000 0.428 375 V N 0.000 119.839 119.914 -0.125 0.000 2.409 375 V HA 0.000 4.122 4.120 0.003 0.000 0.244 375 V CA 0.000 62.230 62.300 -0.116 0.000 1.235 375 V CB 0.000 31.754 31.823 -0.115 0.000 1.184 375 V HN 0.000 nan 8.190 nan 0.000 0.556