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 3m74_1_A DATA FIRST_RESID 8 DATA SEQUENCE PLPTGYFGIP LGLAALSLAW FHLENLFPAA RMVSDVLGIV ASAVWILFIL DATA SEQUENCE MYAYKLRYYF EEVRAEYHSP VRFSFIALIP ITTMLVGDIL YRWNPLIAEV DATA SEQUENCE LIWIGTIGQL LFSTLRVSEL WQGGVFEQKS THPSFYLPAV AANFTSASSL DATA SEQUENCE ALLGYHDLGY LFFGAGMIAW IIFEPVLLQH LRISSLEPQF RATMGIVLAP DATA SEQUENCE AFVCVSAYLS INHGEVDTLA KILWGYGFLQ LFFLLRLFPW IVEKGLNIGL DATA SEQUENCE WAFSLGLASM ANSATAFYHG NVLQGVSIFA FVFSNVMIGL LVLMTIYKLT DATA SEQUENCE KGQFFL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.090 177.300 -0.351 0.000 1.155 8 P CA 0.000 62.802 63.100 -0.497 0.000 0.800 8 P CB 0.000 31.510 31.700 -0.317 0.000 0.726 9 L N 2.041 123.077 121.223 -0.312 0.000 3.184 9 L HA -0.010 4.331 4.340 0.001 0.000 0.355 9 L C -2.162 174.502 176.870 -0.343 0.000 1.167 9 L CA 0.126 54.755 54.840 -0.351 0.000 0.816 9 L CB -0.621 41.242 42.059 -0.326 0.000 1.165 9 L HN 0.137 nan 8.230 nan 0.000 0.603 10 P HA 0.086 nan 4.420 nan 0.000 0.268 10 P C 0.604 177.816 177.300 -0.146 0.000 1.204 10 P CA -0.066 62.831 63.100 -0.338 0.000 0.768 10 P CB 0.670 32.098 31.700 -0.453 0.000 0.842 11 T N 1.940 116.516 114.554 0.037 0.000 2.803 11 T HA -0.121 4.230 4.350 0.001 0.000 0.269 11 T C 2.011 176.850 174.700 0.231 0.000 1.052 11 T CA 1.882 64.112 62.100 0.216 0.000 1.136 11 T CB -0.793 68.211 68.868 0.227 0.000 0.864 11 T HN 0.637 nan 8.240 nan 0.000 0.467 12 G N -0.126 108.702 108.800 0.045 0.000 2.501 12 G HA2 -0.204 3.757 3.960 0.001 0.000 0.220 12 G HA3 -0.204 3.757 3.960 0.001 0.000 0.220 12 G C 1.063 176.105 174.900 0.237 0.000 1.114 12 G CA 0.272 45.411 45.100 0.065 0.000 0.757 12 G HN 0.452 nan 8.290 nan 0.000 0.559 13 Y N -0.195 120.050 120.300 -0.092 0.000 2.497 13 Y HA 0.096 4.647 4.550 0.002 0.000 0.292 13 Y C 2.105 178.013 175.900 0.014 0.000 1.137 13 Y CA -0.567 57.426 58.100 -0.178 0.000 1.285 13 Y CB -0.546 37.607 38.460 -0.512 0.000 0.991 13 Y HN 0.248 nan 8.280 nan 0.000 0.556 14 F N -0.610 119.477 119.950 0.228 0.000 2.373 14 F HA -0.132 4.396 4.527 0.002 0.000 0.300 14 F C 2.429 178.336 175.800 0.178 0.000 1.080 14 F CA 1.158 59.328 58.000 0.282 0.000 1.417 14 F CB -0.735 38.379 39.000 0.190 0.000 1.070 14 F HN 0.039 nan 8.300 nan 0.000 0.546 15 G N 0.169 109.130 108.800 0.269 0.000 2.479 15 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 15 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 15 G C 1.706 176.616 174.900 0.016 0.000 1.115 15 G CA 0.832 46.050 45.100 0.197 0.000 0.757 15 G HN 0.380 nan 8.290 nan 0.000 0.560 16 I N 1.460 121.858 120.570 -0.288 0.000 2.162 16 I HA -0.066 4.105 4.170 0.001 0.000 0.238 16 I C 0.016 175.886 176.117 -0.411 0.000 1.076 16 I CA 0.881 61.653 61.300 -0.880 0.000 1.353 16 I CB -0.840 36.606 38.000 -0.924 0.000 1.063 16 I HN 0.098 nan 8.210 nan 0.000 0.408 17 P HA -0.151 nan 4.420 nan 0.000 0.221 17 P C 2.009 179.333 177.300 0.040 0.000 1.150 17 P CA 1.291 64.353 63.100 -0.063 0.000 0.800 17 P CB 0.035 31.747 31.700 0.019 0.000 0.787 18 L N 0.124 121.410 121.223 0.105 0.000 1.989 18 L HA -0.099 4.241 4.340 0.001 0.000 0.211 18 L C 2.538 179.487 176.870 0.132 0.000 1.071 18 L CA 2.361 57.277 54.840 0.126 0.000 0.749 18 L CB -1.317 40.845 42.059 0.171 0.000 0.890 18 L HN -0.007 nan 8.230 nan 0.000 0.431 19 G N -0.308 108.611 108.800 0.199 0.000 2.418 19 G HA2 -0.234 3.727 3.960 0.001 0.000 0.217 19 G HA3 -0.234 3.727 3.960 0.001 0.000 0.217 19 G C 1.539 176.585 174.900 0.244 0.000 1.158 19 G CA 0.959 46.242 45.100 0.304 0.000 0.771 19 G HN 0.386 nan 8.290 nan 0.000 0.545 20 L N 0.516 121.854 121.223 0.192 0.000 2.093 20 L HA 0.011 4.352 4.340 0.001 0.000 0.208 20 L C 3.392 180.312 176.870 0.083 0.000 1.085 20 L CA 0.905 55.827 54.840 0.136 0.000 0.755 20 L CB -0.381 41.718 42.059 0.067 0.000 0.904 20 L HN 0.303 nan 8.230 nan 0.000 0.435 21 A N 0.174 123.023 122.820 0.049 0.000 1.873 21 A HA -0.148 4.172 4.320 0.001 0.000 0.215 21 A C 2.548 180.146 177.584 0.023 0.000 1.186 21 A CA 1.661 53.703 52.037 0.009 0.000 0.616 21 A CB -0.755 18.223 19.000 -0.036 0.000 0.823 21 A HN 0.373 nan 8.150 nan 0.000 0.442 22 A N -0.666 122.186 122.820 0.053 0.000 1.940 22 A HA -0.078 4.243 4.320 0.001 0.000 0.219 22 A C 2.133 179.774 177.584 0.095 0.000 1.176 22 A CA 1.810 53.886 52.037 0.064 0.000 0.631 22 A CB -0.589 18.460 19.000 0.082 0.000 0.814 22 A HN 0.628 nan 8.150 nan 0.000 0.446 23 L N -0.296 121.000 121.223 0.122 0.000 2.093 23 L HA -0.070 4.271 4.340 0.001 0.000 0.208 23 L C 2.637 179.673 176.870 0.276 0.000 1.085 23 L CA 2.289 57.237 54.840 0.180 0.000 0.755 23 L CB -0.668 41.496 42.059 0.174 0.000 0.904 23 L HN 0.384 nan 8.230 nan 0.000 0.435 24 S N -0.751 115.053 115.700 0.173 0.000 2.365 24 S HA -0.214 4.257 4.470 0.001 0.000 0.225 24 S C 2.048 176.734 174.600 0.144 0.000 1.039 24 S CA 1.848 60.138 58.200 0.151 0.000 1.033 24 S CB -0.418 62.808 63.200 0.043 0.000 0.887 24 S HN 0.496 nan 8.310 nan 0.000 0.447 25 L N 1.013 122.259 121.223 0.038 0.000 2.083 25 L HA -0.043 4.297 4.340 0.001 0.000 0.209 25 L C 2.985 179.828 176.870 -0.046 0.000 1.083 25 L CA 1.093 55.882 54.840 -0.085 0.000 0.752 25 L CB -0.755 41.246 42.059 -0.097 0.000 0.899 25 L HN 0.428 nan 8.230 nan 0.000 0.433 26 A N -0.321 122.587 122.820 0.147 0.000 1.883 26 A HA -0.239 4.081 4.320 0.001 0.000 0.217 26 A C 1.922 179.665 177.584 0.267 0.000 1.186 26 A CA 1.658 53.838 52.037 0.239 0.000 0.624 26 A CB -1.029 18.093 19.000 0.203 0.000 0.822 26 A HN 0.500 nan 8.150 nan 0.000 0.444 27 W N -1.498 119.947 121.300 0.241 0.000 2.374 27 W HA -0.076 4.584 4.660 0.001 0.000 0.288 27 W C 1.964 178.559 176.519 0.127 0.000 1.218 27 W CA 1.022 58.518 57.345 0.252 0.000 1.245 27 W CB -0.564 29.023 29.460 0.213 0.000 1.126 27 W HN 0.423 nan 8.180 nan 0.000 0.545 28 F N 0.240 120.253 119.950 0.106 0.000 2.154 28 F HA -0.266 4.261 4.527 0.001 0.000 0.301 28 F C 2.056 177.824 175.800 -0.054 0.000 1.087 28 F CA 2.149 60.107 58.000 -0.070 0.000 1.274 28 F CB -0.704 38.134 39.000 -0.270 0.000 1.009 28 F HN -0.016 nan 8.300 nan 0.000 0.485 29 H N -0.871 118.285 119.070 0.143 0.000 2.556 29 H HA 0.116 4.672 4.556 0.001 0.000 0.268 29 H C 1.627 176.918 175.328 -0.061 0.000 0.996 29 H CA 0.213 56.268 56.048 0.012 0.000 1.157 29 H CB 0.022 29.822 29.762 0.065 0.000 1.355 29 H HN 0.291 nan 8.280 nan 0.000 0.597 30 L N 0.028 121.274 121.223 0.037 0.000 2.640 30 L HA 0.031 4.372 4.340 0.001 0.000 0.230 30 L C 2.135 179.011 176.870 0.010 0.000 1.123 30 L CA 0.177 55.013 54.840 -0.007 0.000 0.900 30 L CB 0.151 42.162 42.059 -0.079 0.000 1.146 30 L HN 0.355 nan 8.230 nan 0.000 0.484 31 E N 1.651 121.802 120.200 -0.083 0.000 2.118 31 E HA -0.256 4.094 4.350 0.001 0.000 0.195 31 E C 1.518 178.076 176.600 -0.071 0.000 0.992 31 E CA 1.806 58.129 56.400 -0.129 0.000 0.804 31 E CB 0.163 29.689 29.700 -0.291 0.000 0.741 31 E HN 0.585 nan 8.360 nan 0.000 0.458 32 N N 0.123 118.790 118.700 -0.055 0.000 2.573 32 N HA -0.131 4.609 4.740 0.001 0.000 0.187 32 N C 1.457 177.010 175.510 0.071 0.000 1.107 32 N CA 0.845 53.897 53.050 0.003 0.000 0.918 32 N CB -0.131 38.362 38.487 0.009 0.000 0.966 32 N HN 0.333 nan 8.380 nan 0.000 0.448 33 L N -2.578 118.703 121.223 0.096 0.000 2.624 33 L HA 0.356 4.697 4.340 0.001 0.000 0.222 33 L C -0.460 176.530 176.870 0.199 0.000 1.046 33 L CA -0.011 54.913 54.840 0.141 0.000 0.872 33 L CB 0.421 42.564 42.059 0.140 0.000 1.190 33 L HN 0.043 nan 8.230 nan 0.000 0.487 34 F N 1.374 121.317 119.950 -0.011 0.000 2.949 34 F HA 0.457 4.983 4.527 -0.001 0.000 0.376 34 F C -2.418 173.396 175.800 0.024 0.000 1.205 34 F CA -2.755 55.247 58.000 0.004 0.000 1.155 34 F CB 1.099 40.091 39.000 -0.014 0.000 1.495 34 F HN -0.237 nan 8.300 nan 0.000 0.551 35 P HA -0.184 nan 4.420 nan 0.000 0.216 35 P C 1.506 178.556 177.300 -0.417 0.000 1.150 35 P CA 2.265 65.217 63.100 -0.247 0.000 0.843 35 P CB 0.156 31.775 31.700 -0.135 0.000 0.787 36 A N -0.261 122.083 122.820 -0.793 0.000 2.125 36 A HA -0.059 4.262 4.320 0.001 0.000 0.219 36 A C 2.228 179.499 177.584 -0.523 0.000 1.156 36 A CA 1.618 53.246 52.037 -0.682 0.000 0.671 36 A CB -1.381 17.184 19.000 -0.725 0.000 0.794 36 A HN 0.207 nan 8.150 nan 0.000 0.459 37 A N 0.054 122.554 122.820 -0.533 0.000 2.019 37 A HA -0.131 4.190 4.320 0.001 0.000 0.219 37 A C 2.121 179.757 177.584 0.088 0.000 1.164 37 A CA 1.909 54.028 52.037 0.136 0.000 0.644 37 A CB -0.392 18.825 19.000 0.362 0.000 0.805 37 A HN 0.463 nan 8.150 nan 0.000 0.449 38 R N -0.214 120.255 120.500 -0.052 0.000 2.081 38 R HA -0.086 4.254 4.340 0.001 0.000 0.235 38 R C 2.049 178.359 176.300 0.016 0.000 1.131 38 R CA 2.235 58.326 56.100 -0.015 0.000 0.960 38 R CB -0.685 29.577 30.300 -0.064 0.000 0.856 38 R HN 0.570 nan 8.270 nan 0.000 0.436 39 M N -0.664 118.912 119.600 -0.041 0.000 2.132 39 M HA -0.120 4.361 4.480 0.001 0.000 0.263 39 M C 1.650 177.907 176.300 -0.072 0.000 1.065 39 M CA 1.576 56.856 55.300 -0.033 0.000 1.122 39 M CB 0.028 32.593 32.600 -0.058 0.000 1.365 39 M HN 0.058 nan 8.290 nan 0.000 0.411 40 V N -0.312 119.503 119.914 -0.165 0.000 2.287 40 V HA -0.280 3.840 4.120 0.001 0.000 0.248 40 V C 2.499 178.441 176.094 -0.254 0.000 1.053 40 V CA 2.184 64.268 62.300 -0.360 0.000 1.027 40 V CB -1.149 30.166 31.823 -0.847 0.000 0.646 40 V HN 0.669 nan 8.190 nan 0.000 0.447 41 S N -0.343 115.327 115.700 -0.050 0.000 2.359 41 S HA -0.261 4.210 4.470 0.001 0.000 0.224 41 S C 1.775 176.424 174.600 0.082 0.000 1.035 41 S CA 2.035 60.297 58.200 0.104 0.000 1.018 41 S CB -0.492 62.868 63.200 0.267 0.000 0.876 41 S HN 0.662 nan 8.310 nan 0.000 0.448 42 D N 0.552 121.019 120.400 0.111 0.000 2.117 42 D HA -0.057 4.583 4.640 0.001 0.000 0.197 42 D C 2.109 178.505 176.300 0.161 0.000 0.987 42 D CA 1.132 55.261 54.000 0.215 0.000 0.829 42 D CB -0.644 40.329 40.800 0.289 0.000 0.961 42 D HN 0.308 nan 8.370 nan 0.000 0.460 43 V N 0.972 120.916 119.914 0.051 0.000 2.295 43 V HA -0.213 3.907 4.120 0.001 0.000 0.246 43 V C 2.657 178.752 176.094 0.001 0.000 1.049 43 V CA 1.175 63.480 62.300 0.007 0.000 1.024 43 V CB -0.495 31.298 31.823 -0.050 0.000 0.648 43 V HN 0.189 nan 8.190 nan 0.000 0.447 44 L N 0.356 121.563 121.223 -0.027 0.000 2.083 44 L HA -0.106 4.234 4.340 0.001 0.000 0.209 44 L C 2.605 179.491 176.870 0.026 0.000 1.083 44 L CA 1.758 56.590 54.840 -0.012 0.000 0.752 44 L CB -1.068 40.978 42.059 -0.022 0.000 0.899 44 L HN 0.481 nan 8.230 nan 0.000 0.433 45 G N -0.004 108.829 108.800 0.055 0.000 2.408 45 G HA2 -0.179 3.782 3.960 0.001 0.000 0.217 45 G HA3 -0.179 3.782 3.960 0.001 0.000 0.217 45 G C 1.589 176.559 174.900 0.116 0.000 1.150 45 G CA 0.505 45.649 45.100 0.073 0.000 0.776 45 G HN 0.278 nan 8.290 nan 0.000 0.542 46 I N 0.332 120.985 120.570 0.139 0.000 2.252 46 I HA -0.125 4.046 4.170 0.001 0.000 0.245 46 I C 2.728 178.865 176.117 0.033 0.000 1.102 46 I CA 0.400 61.752 61.300 0.087 0.000 1.385 46 I CB -0.141 37.884 38.000 0.042 0.000 1.064 46 I HN 0.015 nan 8.210 nan 0.000 0.414 47 V N 0.993 120.915 119.914 0.012 0.000 2.358 47 V HA -0.271 3.850 4.120 0.001 0.000 0.246 47 V C 2.710 178.785 176.094 -0.031 0.000 1.047 47 V CA 1.969 64.256 62.300 -0.021 0.000 1.035 47 V CB -0.990 30.816 31.823 -0.029 0.000 0.658 47 V HN 0.483 nan 8.190 nan 0.000 0.452 48 A N -0.464 122.350 122.820 -0.010 0.000 1.902 48 A HA -0.201 4.120 4.320 0.001 0.000 0.217 48 A C 2.488 180.088 177.584 0.027 0.000 1.181 48 A CA 2.250 54.277 52.037 -0.017 0.000 0.623 48 A CB -0.655 18.342 19.000 -0.005 0.000 0.818 48 A HN 0.502 nan 8.150 nan 0.000 0.443 49 S N -0.236 115.497 115.700 0.055 0.000 2.368 49 S HA -0.002 4.469 4.470 0.001 0.000 0.224 49 S C 2.321 177.031 174.600 0.182 0.000 1.029 49 S CA 1.105 59.386 58.200 0.134 0.000 0.988 49 S CB -0.439 62.829 63.200 0.114 0.000 0.838 49 S HN 0.790 nan 8.310 nan 0.000 0.462 50 A N 1.170 124.030 122.820 0.066 0.000 1.902 50 A HA -0.052 4.269 4.320 0.001 0.000 0.217 50 A C 2.327 179.874 177.584 -0.061 0.000 1.181 50 A CA 1.540 53.585 52.037 0.014 0.000 0.623 50 A CB -0.913 18.071 19.000 -0.026 0.000 0.818 50 A HN 0.343 nan 8.150 nan 0.000 0.443 51 V N -2.043 117.781 119.914 -0.150 0.000 2.343 51 V HA -0.260 3.861 4.120 0.001 0.000 0.247 51 V C 2.186 178.004 176.094 -0.460 0.000 1.051 51 V CA 1.871 63.913 62.300 -0.429 0.000 1.036 51 V CB -1.022 30.480 31.823 -0.535 0.000 0.654 51 V HN 0.868 nan 8.190 nan 0.000 0.451 52 W N 0.746 121.861 121.300 -0.308 0.000 2.335 52 W HA -0.201 4.459 4.660 0.001 0.000 0.311 52 W C 2.179 178.700 176.519 0.003 0.000 1.213 52 W CA 1.879 59.159 57.345 -0.108 0.000 1.274 52 W CB -0.302 29.168 29.460 0.016 0.000 1.148 52 W HN 0.187 nan 8.180 nan 0.000 0.498 53 I N 0.271 120.841 120.570 0.000 0.000 2.163 53 I HA -0.340 3.831 4.170 0.001 0.000 0.243 53 I C 2.457 178.478 176.117 -0.160 0.000 1.085 53 I CA 1.580 62.772 61.300 -0.180 0.000 1.347 53 I CB -0.976 37.033 38.000 0.016 0.000 1.044 53 I HN 0.100 nan 8.210 nan 0.000 0.408 54 L N 0.328 121.494 121.223 -0.096 0.000 2.012 54 L HA -0.228 4.113 4.340 0.001 0.000 0.210 54 L C 2.219 179.172 176.870 0.138 0.000 1.073 54 L CA 2.050 56.892 54.840 0.003 0.000 0.748 54 L CB -0.703 41.360 42.059 0.008 0.000 0.891 54 L HN 0.044 nan 8.230 nan 0.000 0.431 55 F N -0.617 119.219 119.950 -0.191 0.000 2.234 55 F HA -0.118 4.409 4.527 0.001 0.000 0.299 55 F C 2.488 178.234 175.800 -0.090 0.000 1.087 55 F CA 0.403 58.221 58.000 -0.303 0.000 1.340 55 F CB -0.889 37.605 39.000 -0.844 0.000 1.031 55 F HN 0.062 nan 8.300 nan 0.000 0.500 56 I N -0.190 120.399 120.570 0.032 0.000 2.179 56 I HA -0.269 3.902 4.170 0.001 0.000 0.242 56 I C 2.481 178.649 176.117 0.084 0.000 1.088 56 I CA 1.235 62.547 61.300 0.021 0.000 1.357 56 I CB -1.231 36.474 38.000 -0.492 0.000 1.051 56 I HN 0.128 nan 8.210 nan 0.000 0.409 57 L N -0.376 120.860 121.223 0.021 0.000 2.046 57 L HA -0.224 4.117 4.340 0.001 0.000 0.208 57 L C 2.697 179.643 176.870 0.127 0.000 1.077 57 L CA 1.313 56.191 54.840 0.064 0.000 0.747 57 L CB -0.431 41.644 42.059 0.028 0.000 0.896 57 L HN 0.205 nan 8.230 nan 0.000 0.432 58 M N -1.922 117.747 119.600 0.115 0.000 2.175 58 M HA -0.240 4.241 4.480 0.001 0.000 0.264 58 M C 2.316 178.715 176.300 0.165 0.000 1.063 58 M CA 1.812 57.161 55.300 0.081 0.000 1.119 58 M CB -0.477 32.120 32.600 -0.005 0.000 1.377 58 M HN 0.143 nan 8.290 nan 0.000 0.415 59 Y N 0.821 121.202 120.300 0.135 0.000 2.314 59 Y HA -0.094 4.457 4.550 0.001 0.000 0.293 59 Y C 2.459 178.447 175.900 0.146 0.000 1.129 59 Y CA 1.284 59.480 58.100 0.160 0.000 1.201 59 Y CB -0.197 38.413 38.460 0.250 0.000 0.999 59 Y HN 0.172 nan 8.280 nan 0.000 0.541 60 A N -0.744 122.221 122.820 0.241 0.000 1.902 60 A HA -0.280 4.041 4.320 0.001 0.000 0.217 60 A C 2.068 179.730 177.584 0.131 0.000 1.181 60 A CA 1.798 53.929 52.037 0.156 0.000 0.623 60 A CB -1.462 17.618 19.000 0.134 0.000 0.818 60 A HN 0.686 nan 8.150 nan 0.000 0.443 61 Y N 0.290 120.633 120.300 0.072 0.000 2.224 61 Y HA -0.180 4.371 4.550 0.002 0.000 0.289 61 Y C 2.412 178.416 175.900 0.173 0.000 1.146 61 Y CA 2.226 60.422 58.100 0.161 0.000 1.182 61 Y CB -0.069 38.484 38.460 0.155 0.000 0.983 61 Y HN 0.301 nan 8.280 nan 0.000 0.524 62 K N 0.120 120.633 120.400 0.188 0.000 2.097 62 K HA -0.166 4.155 4.320 0.001 0.000 0.205 62 K C 1.933 178.532 176.600 -0.003 0.000 1.050 62 K CA 1.528 57.837 56.287 0.036 0.000 0.938 62 K CB -0.289 32.010 32.500 -0.335 0.000 0.718 62 K HN 0.395 nan 8.250 nan 0.000 0.442 63 L N 0.426 121.595 121.223 -0.090 0.000 2.093 63 L HA -0.156 4.185 4.340 0.001 0.000 0.208 63 L C 2.668 179.560 176.870 0.037 0.000 1.085 63 L CA 1.005 55.868 54.840 0.038 0.000 0.755 63 L CB -0.256 41.840 42.059 0.061 0.000 0.904 63 L HN 0.137 nan 8.230 nan 0.000 0.435 64 R N -0.551 119.852 120.500 -0.162 0.000 2.080 64 R HA -0.116 4.224 4.340 0.001 0.000 0.222 64 R C 1.477 177.399 176.300 -0.629 0.000 1.107 64 R CA 1.723 57.530 56.100 -0.489 0.000 0.980 64 R CB -0.295 29.546 30.300 -0.764 0.000 0.879 64 R HN 0.288 nan 8.270 nan 0.000 0.439 65 Y N -2.379 117.826 120.300 -0.159 0.000 2.445 65 Y HA 0.290 4.841 4.550 0.001 0.000 0.247 65 Y C -0.065 175.692 175.900 -0.238 0.000 1.129 65 Y CA -0.228 57.726 58.100 -0.243 0.000 1.251 65 Y CB 0.567 38.749 38.460 -0.462 0.000 1.176 65 Y HN -0.041 nan 8.280 nan 0.000 0.522 66 Y N -1.696 118.641 120.300 0.062 0.000 2.629 66 Y HA 0.145 4.696 4.550 0.002 0.000 0.282 66 Y C 1.036 176.955 175.900 0.031 0.000 0.994 66 Y CA -0.978 57.153 58.100 0.051 0.000 1.126 66 Y CB -0.266 38.211 38.460 0.027 0.000 1.187 66 Y HN 0.041 nan 8.280 nan 0.000 0.600 67 F N 1.297 121.265 119.950 0.030 0.000 2.171 67 F HA -0.177 4.351 4.527 0.001 0.000 0.300 67 F C 1.938 177.760 175.800 0.037 0.000 1.090 67 F CA 1.813 59.813 58.000 -0.000 0.000 1.293 67 F CB 0.331 39.307 39.000 -0.041 0.000 1.013 67 F HN 0.097 nan 8.300 nan 0.000 0.486 68 E N 0.498 120.745 120.200 0.079 0.000 2.204 68 E HA -0.201 4.150 4.350 0.001 0.000 0.195 68 E C 2.028 178.609 176.600 -0.031 0.000 0.990 68 E CA 1.282 57.691 56.400 0.014 0.000 0.821 68 E CB -0.369 29.383 29.700 0.088 0.000 0.750 68 E HN 0.636 nan 8.360 nan 0.000 0.477 69 E N 0.243 120.446 120.200 0.005 0.000 2.072 69 E HA -0.101 4.250 4.350 0.001 0.000 0.191 69 E C 2.197 178.770 176.600 -0.045 0.000 0.985 69 E CA 0.921 57.331 56.400 0.016 0.000 0.801 69 E CB 0.093 29.835 29.700 0.070 0.000 0.750 69 E HN 0.023 nan 8.360 nan 0.000 0.452 70 V N 1.264 121.079 119.914 -0.164 0.000 2.307 70 V HA -0.245 3.876 4.120 0.001 0.000 0.245 70 V C 2.428 178.400 176.094 -0.204 0.000 1.045 70 V CA 1.715 63.901 62.300 -0.191 0.000 1.024 70 V CB -0.510 31.112 31.823 -0.334 0.000 0.651 70 V HN 0.216 nan 8.190 nan 0.000 0.449 71 R N 0.263 120.508 120.500 -0.425 0.000 2.083 71 R HA -0.209 4.132 4.340 0.001 0.000 0.237 71 R C 2.304 178.642 176.300 0.064 0.000 1.137 71 R CA 1.872 57.835 56.100 -0.228 0.000 0.951 71 R CB -0.461 29.728 30.300 -0.185 0.000 0.851 71 R HN 0.499 nan 8.270 nan 0.000 0.434 72 A N 1.639 124.499 122.820 0.066 0.000 1.902 72 A HA -0.220 4.101 4.320 0.001 0.000 0.217 72 A C 1.969 179.643 177.584 0.151 0.000 1.181 72 A CA 1.749 53.866 52.037 0.133 0.000 0.623 72 A CB -0.533 18.525 19.000 0.096 0.000 0.818 72 A HN 0.716 nan 8.150 nan 0.000 0.443 73 E N -1.748 118.533 120.200 0.136 0.000 2.106 73 E HA -0.257 4.094 4.350 0.001 0.000 0.192 73 E C 1.960 178.698 176.600 0.229 0.000 0.984 73 E CA 1.401 57.913 56.400 0.186 0.000 0.806 73 E CB -0.645 29.171 29.700 0.193 0.000 0.750 73 E HN 0.668 nan 8.360 nan 0.000 0.458 74 Y N 1.721 122.063 120.300 0.070 0.000 2.128 74 Y HA -0.239 4.312 4.550 0.001 0.000 0.284 74 Y C 2.148 178.016 175.900 -0.053 0.000 1.154 74 Y CA 2.208 60.324 58.100 0.027 0.000 1.149 74 Y CB -0.165 38.196 38.460 -0.166 0.000 0.976 74 Y HN 0.132 nan 8.280 nan 0.000 0.505 75 H N -0.867 118.259 119.070 0.093 0.000 2.547 75 H HA 0.089 4.645 4.556 0.001 0.000 0.272 75 H C 1.004 176.313 175.328 -0.032 0.000 0.989 75 H CA 0.823 56.855 56.048 -0.026 0.000 1.214 75 H CB -0.309 29.503 29.762 0.083 0.000 1.389 75 H HN 0.143 nan 8.280 nan 0.000 0.577 76 S N 2.888 118.676 115.700 0.146 0.000 2.533 76 S HA 0.024 4.495 4.470 0.001 0.000 0.282 76 S C -1.287 173.416 174.600 0.172 0.000 1.304 76 S CA -1.230 57.055 58.200 0.141 0.000 1.063 76 S CB 1.077 64.376 63.200 0.165 0.000 0.881 76 S HN 0.136 nan 8.310 nan 0.000 0.493 77 P HA 0.049 nan 4.420 nan 0.000 0.245 77 P C 0.891 178.378 177.300 0.311 0.000 1.212 77 P CA 0.312 63.533 63.100 0.202 0.000 0.774 77 P CB 0.172 31.941 31.700 0.115 0.000 0.999 78 V N 0.137 120.130 119.914 0.133 0.000 2.854 78 V HA 0.124 4.244 4.120 0.001 0.000 0.236 78 V C 2.532 178.648 176.094 0.037 0.000 1.157 78 V CA 0.737 63.017 62.300 -0.032 0.000 1.187 78 V CB -0.536 31.115 31.823 -0.286 0.000 0.949 78 V HN -0.046 nan 8.190 nan 0.000 0.488 79 R N 0.572 121.178 120.500 0.176 0.000 2.235 79 R HA -0.072 4.269 4.340 0.001 0.000 0.213 79 R C 2.247 178.694 176.300 0.244 0.000 1.059 79 R CA 1.497 57.777 56.100 0.300 0.000 0.997 79 R CB -0.440 30.037 30.300 0.295 0.000 0.884 79 R HN 0.718 nan 8.270 nan 0.000 0.462 80 F N 0.266 120.275 119.950 0.098 0.000 2.202 80 F HA -0.107 4.421 4.527 0.002 0.000 0.301 80 F C 1.937 177.846 175.800 0.183 0.000 1.082 80 F CA 0.948 59.017 58.000 0.114 0.000 1.313 80 F CB -0.607 38.340 39.000 -0.089 0.000 1.024 80 F HN -0.225 nan 8.300 nan 0.000 0.495 81 S N 0.750 115.813 115.700 -1.062 0.000 2.400 81 S HA -0.151 4.320 4.470 0.001 0.000 0.232 81 S C 1.564 175.852 174.600 -0.521 0.000 1.025 81 S CA 1.530 59.127 58.200 -1.006 0.000 0.993 81 S CB -0.778 61.756 63.200 -1.110 0.000 0.808 81 S HN 0.440 nan 8.310 nan 0.000 0.478 82 F N 1.341 121.202 119.950 -0.148 0.000 2.365 82 F HA 0.095 4.622 4.527 0.001 0.000 0.300 82 F C 1.853 177.561 175.800 -0.154 0.000 1.090 82 F CA 0.166 58.119 58.000 -0.077 0.000 1.408 82 F CB -0.711 38.298 39.000 0.014 0.000 1.060 82 F HN 0.169 nan 8.300 nan 0.000 0.534 83 I N 0.009 120.547 120.570 -0.053 0.000 2.335 83 I HA -0.312 3.859 4.170 0.001 0.000 0.251 83 I C 2.552 178.327 176.117 -0.570 0.000 1.129 83 I CA 1.068 62.173 61.300 -0.326 0.000 1.402 83 I CB -0.711 37.120 38.000 -0.281 0.000 1.069 83 I HN 0.112 nan 8.210 nan 0.000 0.424 84 A N 0.831 123.340 122.820 -0.518 0.000 2.125 84 A HA -0.133 4.187 4.320 0.001 0.000 0.219 84 A C 2.245 179.673 177.584 -0.260 0.000 1.156 84 A CA 1.150 52.937 52.037 -0.416 0.000 0.671 84 A CB -0.731 18.148 19.000 -0.202 0.000 0.794 84 A HN 0.437 nan 8.150 nan 0.000 0.459 85 L N -0.747 120.356 121.223 -0.199 0.000 2.191 85 L HA -0.187 4.154 4.340 0.001 0.000 0.212 85 L C 2.302 179.037 176.870 -0.225 0.000 1.103 85 L CA 0.920 55.704 54.840 -0.094 0.000 0.769 85 L CB -0.527 41.577 42.059 0.075 0.000 0.908 85 L HN 0.419 nan 8.230 nan 0.000 0.438 86 I N 0.193 120.458 120.570 -0.508 0.000 2.133 86 I HA -0.166 4.004 4.170 0.001 0.000 0.238 86 I C -0.213 175.784 176.117 -0.200 0.000 1.074 86 I CA 1.297 62.219 61.300 -0.630 0.000 1.342 86 I CB -1.543 35.940 38.000 -0.862 0.000 1.053 86 I HN 0.194 nan 8.210 nan 0.000 0.404 87 P HA -0.120 nan 4.420 nan 0.000 0.219 87 P C 1.898 179.160 177.300 -0.064 0.000 1.150 87 P CA 1.581 64.632 63.100 -0.081 0.000 0.814 87 P CB -0.055 31.586 31.700 -0.097 0.000 0.787 88 I N -0.024 120.502 120.570 -0.074 0.000 2.127 88 I HA -0.229 3.942 4.170 0.001 0.000 0.241 88 I C 2.270 178.365 176.117 -0.036 0.000 1.075 88 I CA 1.953 63.226 61.300 -0.046 0.000 1.334 88 I CB -1.306 36.683 38.000 -0.018 0.000 1.040 88 I HN -0.015 nan 8.210 nan 0.000 0.405 89 T N -0.306 114.262 114.554 0.025 0.000 2.867 89 T HA -0.141 4.210 4.350 0.001 0.000 0.268 89 T C 1.876 176.432 174.700 -0.240 0.000 1.057 89 T CA 1.790 63.904 62.100 0.023 0.000 1.136 89 T CB -0.341 68.729 68.868 0.337 0.000 0.874 89 T HN 0.369 nan 8.240 nan 0.000 0.466 90 T N 2.329 116.832 114.554 -0.086 0.000 2.746 90 T HA -0.018 4.333 4.350 0.001 0.000 0.267 90 T C 2.042 176.560 174.700 -0.302 0.000 1.039 90 T CA 1.139 63.109 62.100 -0.217 0.000 1.142 90 T CB -0.329 68.635 68.868 0.160 0.000 0.866 90 T HN 0.348 nan 8.240 nan 0.000 0.444 91 M N 0.380 119.865 119.600 -0.191 0.000 2.132 91 M HA 0.021 4.502 4.480 0.001 0.000 0.263 91 M C 2.228 178.392 176.300 -0.228 0.000 1.065 91 M CA 1.463 56.642 55.300 -0.202 0.000 1.122 91 M CB -0.579 31.915 32.600 -0.177 0.000 1.365 91 M HN 0.194 nan 8.290 nan 0.000 0.411 92 L N -0.647 120.447 121.223 -0.214 0.000 2.046 92 L HA -0.171 4.170 4.340 0.001 0.000 0.208 92 L C 2.442 179.158 176.870 -0.256 0.000 1.077 92 L CA 0.806 55.530 54.840 -0.194 0.000 0.747 92 L CB -0.740 41.242 42.059 -0.127 0.000 0.896 92 L HN 0.121 nan 8.230 nan 0.000 0.432 93 V N 0.334 120.009 119.914 -0.398 0.000 2.343 93 V HA -0.222 3.899 4.120 0.001 0.000 0.247 93 V C 2.660 178.564 176.094 -0.317 0.000 1.051 93 V CA 1.987 64.017 62.300 -0.449 0.000 1.036 93 V CB -1.317 29.957 31.823 -0.915 0.000 0.654 93 V HN 0.579 nan 8.190 nan 0.000 0.451 94 G N -0.127 108.490 108.800 -0.304 0.000 2.446 94 G HA2 -0.295 3.666 3.960 0.001 0.000 0.217 94 G HA3 -0.295 3.666 3.960 0.001 0.000 0.217 94 G C 1.210 176.024 174.900 -0.143 0.000 1.168 94 G CA 1.215 46.210 45.100 -0.175 0.000 0.771 94 G HN 0.511 nan 8.290 nan 0.000 0.551 95 D N 0.483 120.764 120.400 -0.198 0.000 2.117 95 D HA -0.072 4.569 4.640 0.001 0.000 0.197 95 D C 2.507 178.647 176.300 -0.265 0.000 0.987 95 D CA 0.456 54.320 54.000 -0.227 0.000 0.829 95 D CB -0.218 40.441 40.800 -0.235 0.000 0.961 95 D HN 0.396 nan 8.370 nan 0.000 0.460 96 I N 0.375 120.788 120.570 -0.261 0.000 2.179 96 I HA -0.235 3.935 4.170 0.001 0.000 0.242 96 I C 2.257 178.181 176.117 -0.320 0.000 1.088 96 I CA 0.836 61.944 61.300 -0.321 0.000 1.357 96 I CB -0.154 37.733 38.000 -0.189 0.000 1.051 96 I HN -0.007 nan 8.210 nan 0.000 0.409 97 L N -0.780 120.375 121.223 -0.112 0.000 2.275 97 L HA -0.221 4.119 4.340 0.001 0.000 0.215 97 L C 2.520 179.383 176.870 -0.012 0.000 1.119 97 L CA 0.907 55.778 54.840 0.052 0.000 0.790 97 L CB -0.679 41.437 42.059 0.095 0.000 0.919 97 L HN 0.293 nan 8.230 nan 0.000 0.443 98 Y N 1.891 122.067 120.300 -0.207 0.000 2.256 98 Y HA -0.293 4.257 4.550 0.001 0.000 0.288 98 Y C 2.772 178.540 175.900 -0.221 0.000 1.155 98 Y CA 1.707 59.698 58.100 -0.182 0.000 1.203 98 Y CB -0.151 38.182 38.460 -0.211 0.000 0.980 98 Y HN 0.198 nan 8.280 nan 0.000 0.530 99 R N -1.536 118.753 120.500 -0.352 0.000 2.189 99 R HA -0.150 4.190 4.340 0.001 0.000 0.223 99 R C 1.241 177.295 176.300 -0.411 0.000 1.092 99 R CA 1.538 57.355 56.100 -0.471 0.000 0.989 99 R CB -0.698 29.119 30.300 -0.804 0.000 0.876 99 R HN 0.378 nan 8.270 nan 0.000 0.457 100 W N -0.114 121.134 121.300 -0.087 0.000 2.866 100 W HA 0.323 4.983 4.660 0.000 0.000 0.258 100 W C 0.295 176.755 176.519 -0.098 0.000 1.183 100 W CA -0.432 56.872 57.345 -0.069 0.000 1.451 100 W CB 0.163 29.597 29.460 -0.043 0.000 0.959 100 W HN 0.024 nan 8.180 nan 0.000 0.622 101 N N 0.298 119.048 118.700 0.083 0.000 2.732 101 N HA 0.159 4.899 4.740 0.001 0.000 0.247 101 N C -2.488 172.971 175.510 -0.085 0.000 1.305 101 N CA -1.188 51.867 53.050 0.010 0.000 0.762 101 N CB 1.650 40.181 38.487 0.074 0.000 1.361 101 N HN -0.331 nan 8.380 nan 0.000 0.545 102 P HA -0.024 nan 4.420 nan 0.000 0.219 102 P C 1.583 178.876 177.300 -0.010 0.000 1.146 102 P CA 0.779 63.682 63.100 -0.329 0.000 0.808 102 P CB 0.588 31.971 31.700 -0.527 0.000 0.779 103 L N -1.461 119.767 121.223 0.008 0.000 2.044 103 L HA -0.111 4.229 4.340 0.001 0.000 0.205 103 L C 2.415 179.339 176.870 0.090 0.000 1.075 103 L CA 1.416 56.297 54.840 0.068 0.000 0.747 103 L CB -0.861 41.230 42.059 0.053 0.000 0.903 103 L HN -0.062 nan 8.230 nan 0.000 0.435 104 I N 0.219 120.833 120.570 0.073 0.000 2.252 104 I HA -0.244 3.927 4.170 0.001 0.000 0.245 104 I C 2.883 179.052 176.117 0.086 0.000 1.102 104 I CA 1.001 62.352 61.300 0.084 0.000 1.385 104 I CB -0.486 37.562 38.000 0.080 0.000 1.064 104 I HN 0.192 nan 8.210 nan 0.000 0.414 105 A N 0.732 123.602 122.820 0.083 0.000 1.892 105 A HA -0.312 4.009 4.320 0.001 0.000 0.218 105 A C 2.292 179.923 177.584 0.080 0.000 1.188 105 A CA 2.327 54.415 52.037 0.084 0.000 0.631 105 A CB -0.728 18.381 19.000 0.181 0.000 0.822 105 A HN 0.526 nan 8.150 nan 0.000 0.447 106 E N -0.442 119.842 120.200 0.140 0.000 2.106 106 E HA -0.110 4.240 4.350 0.001 0.000 0.192 106 E C 1.831 178.552 176.600 0.202 0.000 0.984 106 E CA 1.256 57.746 56.400 0.150 0.000 0.806 106 E CB -0.148 29.710 29.700 0.265 0.000 0.750 106 E HN 0.307 nan 8.360 nan 0.000 0.458 107 V N 1.297 121.330 119.914 0.198 0.000 2.255 107 V HA -0.290 3.831 4.120 0.001 0.000 0.247 107 V C 2.466 178.657 176.094 0.161 0.000 1.051 107 V CA 1.718 64.142 62.300 0.207 0.000 1.018 107 V CB -0.507 31.407 31.823 0.152 0.000 0.641 107 V HN 0.371 nan 8.190 nan 0.000 0.445 108 L N -0.781 120.498 121.223 0.092 0.000 2.046 108 L HA -0.201 4.140 4.340 0.001 0.000 0.208 108 L C 2.380 179.241 176.870 -0.015 0.000 1.077 108 L CA 1.691 56.558 54.840 0.045 0.000 0.747 108 L CB -0.522 41.517 42.059 -0.034 0.000 0.896 108 L HN 0.284 nan 8.230 nan 0.000 0.432 109 I N -1.542 118.976 120.570 -0.086 0.000 2.226 109 I HA -0.291 3.880 4.170 0.001 0.000 0.245 109 I C 2.264 178.239 176.117 -0.236 0.000 1.100 109 I CA 1.726 62.887 61.300 -0.231 0.000 1.374 109 I CB -0.269 37.514 38.000 -0.362 0.000 1.057 109 I HN 0.306 nan 8.210 nan 0.000 0.413 110 W N 0.727 122.005 121.300 -0.036 0.000 2.388 110 W HA -0.085 4.576 4.660 0.002 0.000 0.294 110 W C 2.428 178.933 176.519 -0.023 0.000 1.212 110 W CA 0.471 57.792 57.345 -0.041 0.000 1.271 110 W CB -0.229 29.219 29.460 -0.021 0.000 1.126 110 W HN 0.002 nan 8.180 nan 0.000 0.535 111 I N 0.124 120.822 120.570 0.214 0.000 2.163 111 I HA -0.235 3.936 4.170 0.001 0.000 0.243 111 I C 2.658 178.830 176.117 0.091 0.000 1.085 111 I CA 1.686 63.073 61.300 0.145 0.000 1.347 111 I CB -1.125 36.956 38.000 0.136 0.000 1.044 111 I HN 0.084 nan 8.210 nan 0.000 0.408 112 G N -0.270 108.554 108.800 0.039 0.000 2.408 112 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 112 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 112 G C 1.648 176.527 174.900 -0.036 0.000 1.150 112 G CA 1.187 46.280 45.100 -0.012 0.000 0.776 112 G HN 0.270 nan 8.290 nan 0.000 0.542 113 T N 1.387 115.901 114.554 -0.068 0.000 2.701 113 T HA -0.035 4.316 4.350 0.001 0.000 0.263 113 T C 2.409 177.143 174.700 0.057 0.000 1.040 113 T CA 0.996 63.029 62.100 -0.112 0.000 1.147 113 T CB -0.174 68.538 68.868 -0.260 0.000 0.865 113 T HN 0.229 nan 8.240 nan 0.000 0.426 114 I N 1.183 121.839 120.570 0.145 0.000 2.226 114 I HA -0.099 4.072 4.170 0.001 0.000 0.245 114 I C 2.864 179.057 176.117 0.126 0.000 1.100 114 I CA 1.244 62.640 61.300 0.161 0.000 1.374 114 I CB -0.720 37.374 38.000 0.156 0.000 1.057 114 I HN 0.313 nan 8.210 nan 0.000 0.413 115 G N 1.067 109.926 108.800 0.099 0.000 2.421 115 G HA2 -0.311 3.650 3.960 0.001 0.000 0.216 115 G HA3 -0.311 3.650 3.960 0.001 0.000 0.216 115 G C 1.535 176.503 174.900 0.114 0.000 1.171 115 G CA 1.100 46.254 45.100 0.090 0.000 0.775 115 G HN 0.522 nan 8.290 nan 0.000 0.543 116 Q N -0.036 119.814 119.800 0.083 0.000 2.119 116 Q HA 0.079 4.420 4.340 0.001 0.000 0.201 116 Q C 2.267 178.377 176.000 0.184 0.000 0.972 116 Q CA 1.324 57.197 55.803 0.116 0.000 0.847 116 Q CB -0.678 28.085 28.738 0.042 0.000 0.903 116 Q HN 0.355 nan 8.270 nan 0.000 0.433 117 L N 0.031 121.360 121.223 0.177 0.000 2.056 117 L HA 0.018 4.359 4.340 0.001 0.000 0.207 117 L C 2.071 179.019 176.870 0.130 0.000 1.078 117 L CA 1.564 56.513 54.840 0.181 0.000 0.749 117 L CB -0.470 41.739 42.059 0.248 0.000 0.901 117 L HN 0.379 nan 8.230 nan 0.000 0.433 118 L N -1.839 119.468 121.223 0.140 0.000 2.046 118 L HA -0.234 4.106 4.340 0.001 0.000 0.208 118 L C 2.450 179.402 176.870 0.138 0.000 1.077 118 L CA 1.435 56.345 54.840 0.116 0.000 0.747 118 L CB -0.706 41.423 42.059 0.117 0.000 0.896 118 L HN 0.289 nan 8.230 nan 0.000 0.432 119 F N 0.479 120.460 119.950 0.052 0.000 2.069 119 F HA -0.270 4.258 4.527 0.002 0.000 0.298 119 F C 2.671 178.494 175.800 0.039 0.000 1.113 119 F CA 1.966 60.013 58.000 0.078 0.000 1.214 119 F CB -0.284 38.761 39.000 0.076 0.000 0.978 119 F HN -0.086 nan 8.300 nan 0.000 0.474 120 S N -0.738 114.972 115.700 0.017 0.000 2.368 120 S HA -0.160 4.310 4.470 0.001 0.000 0.224 120 S C 1.954 176.428 174.600 -0.210 0.000 1.029 120 S CA 1.616 59.730 58.200 -0.143 0.000 0.988 120 S CB -0.539 62.633 63.200 -0.046 0.000 0.838 120 S HN 0.478 nan 8.310 nan 0.000 0.462 121 T N 2.706 117.188 114.554 -0.121 0.000 2.759 121 T HA 0.003 4.354 4.350 0.001 0.000 0.269 121 T C 1.680 176.273 174.700 -0.178 0.000 1.042 121 T CA 0.993 63.007 62.100 -0.143 0.000 1.140 121 T CB -0.319 68.508 68.868 -0.068 0.000 0.864 121 T HN 0.254 nan 8.240 nan 0.000 0.455 122 L N -0.219 120.913 121.223 -0.151 0.000 2.044 122 L HA 0.064 4.405 4.340 0.001 0.000 0.205 122 L C 2.772 179.489 176.870 -0.254 0.000 1.075 122 L CA 1.137 55.897 54.840 -0.134 0.000 0.747 122 L CB -0.223 41.828 42.059 -0.013 0.000 0.903 122 L HN 0.055 nan 8.230 nan 0.000 0.435 123 R N -0.733 119.495 120.500 -0.452 0.000 2.123 123 R HA 0.041 4.381 4.340 0.001 0.000 0.209 123 R C 1.977 177.856 176.300 -0.702 0.000 1.078 123 R CA 0.698 56.379 56.100 -0.699 0.000 1.028 123 R CB -0.345 29.262 30.300 -1.154 0.000 0.939 123 R HN -0.014 nan 8.270 nan 0.000 0.463 124 V N 1.086 120.664 119.914 -0.560 0.000 2.358 124 V HA -0.224 3.897 4.120 0.001 0.000 0.246 124 V C 2.218 177.991 176.094 -0.535 0.000 1.047 124 V CA 2.074 64.125 62.300 -0.414 0.000 1.035 124 V CB -0.589 31.068 31.823 -0.277 0.000 0.658 124 V HN 0.583 nan 8.190 nan 0.000 0.452 125 S N 0.021 115.347 115.700 -0.624 0.000 2.382 125 S HA -0.286 4.185 4.470 0.001 0.000 0.228 125 S C 1.938 176.178 174.600 -0.599 0.000 1.027 125 S CA 1.745 59.415 58.200 -0.883 0.000 0.991 125 S CB -0.535 62.278 63.200 -0.646 0.000 0.823 125 S HN 0.711 nan 8.310 nan 0.000 0.469 126 E N 1.235 121.197 120.200 -0.395 0.000 2.160 126 E HA -0.114 4.237 4.350 0.001 0.000 0.195 126 E C 1.918 178.411 176.600 -0.178 0.000 0.991 126 E CA 1.157 57.412 56.400 -0.242 0.000 0.810 126 E CB -0.376 29.187 29.700 -0.228 0.000 0.742 126 E HN 0.649 nan 8.360 nan 0.000 0.466 127 L N -0.307 120.777 121.223 -0.231 0.000 2.127 127 L HA -0.186 4.154 4.340 0.001 0.000 0.211 127 L C 1.903 178.814 176.870 0.068 0.000 1.089 127 L CA 0.743 55.524 54.840 -0.098 0.000 0.757 127 L CB -0.512 41.466 42.059 -0.135 0.000 0.899 127 L HN 0.340 nan 8.230 nan 0.000 0.434 128 W N 0.590 121.810 121.300 -0.133 0.000 2.721 128 W HA -0.071 4.590 4.660 0.001 0.000 0.245 128 W C 2.308 178.782 176.519 -0.076 0.000 1.276 128 W CA 0.138 57.418 57.345 -0.108 0.000 1.342 128 W CB -0.973 28.434 29.460 -0.088 0.000 1.135 128 W HN 0.360 nan 8.180 nan 0.000 0.654 129 Q N -0.002 119.873 119.800 0.125 0.000 2.369 129 Q HA 0.214 4.555 4.340 0.001 0.000 0.206 129 Q C 1.340 177.370 176.000 0.051 0.000 0.963 129 Q CA 0.856 56.700 55.803 0.068 0.000 0.894 129 Q CB -0.198 28.556 28.738 0.027 0.000 0.965 129 Q HN 0.134 nan 8.270 nan 0.000 0.475 130 G N -0.843 107.991 108.800 0.057 0.000 2.787 130 G HA2 -0.047 3.914 3.960 0.001 0.000 0.685 130 G HA3 -0.047 3.914 3.960 0.001 0.000 0.685 130 G C 0.501 175.430 174.900 0.049 0.000 1.437 130 G CA -0.382 44.748 45.100 0.050 0.000 0.872 130 G HN 0.656 nan 8.290 nan 0.000 0.566 131 G N -2.325 106.509 108.800 0.057 0.000 2.176 131 G HA2 -0.069 3.892 3.960 0.001 0.000 0.253 131 G HA3 -0.069 3.892 3.960 0.001 0.000 0.253 131 G C 1.180 176.108 174.900 0.046 0.000 0.979 131 G CA 1.523 46.649 45.100 0.044 0.000 0.641 131 G HN 1.934 nan 8.290 nan 0.000 0.530 132 V N -0.441 119.514 119.914 0.069 0.000 2.950 132 V HA 0.460 4.581 4.120 0.001 0.000 0.231 132 V C 1.259 177.408 176.094 0.091 0.000 1.205 132 V CA 0.675 63.011 62.300 0.060 0.000 1.239 132 V CB -0.443 31.406 31.823 0.042 0.000 1.050 132 V HN 0.340 nan 8.190 nan 0.000 0.498 133 F N 2.139 122.071 119.950 -0.030 0.000 2.572 133 F HA 0.208 4.736 4.527 0.001 0.000 0.370 133 F C 0.592 176.370 175.800 -0.038 0.000 1.103 133 F CA 0.546 58.525 58.000 -0.035 0.000 1.286 133 F CB 0.284 39.268 39.000 -0.028 0.000 1.105 133 F HN 0.213 nan 8.300 nan 0.000 0.583 134 E N 2.822 122.858 120.200 -0.273 0.000 2.355 134 E HA 0.087 4.438 4.350 0.001 0.000 0.261 134 E C 0.171 176.603 176.600 -0.281 0.000 0.943 134 E CA -0.840 55.467 56.400 -0.154 0.000 0.806 134 E CB 1.614 31.232 29.700 -0.136 0.000 1.286 134 E HN 0.613 nan 8.360 nan 0.000 0.424 135 Q N 1.620 121.352 119.800 -0.113 0.000 2.096 135 Q HA -0.222 4.119 4.340 0.001 0.000 0.204 135 Q C 1.679 177.466 176.000 -0.355 0.000 0.982 135 Q CA 2.220 57.939 55.803 -0.140 0.000 0.850 135 Q CB -0.111 28.623 28.738 -0.006 0.000 0.901 135 Q HN 0.472 nan 8.270 nan 0.000 0.422 136 K N -1.116 119.159 120.400 -0.209 0.000 2.515 136 K HA 0.040 4.361 4.320 0.001 0.000 0.196 136 K C 1.308 177.711 176.600 -0.329 0.000 1.038 136 K CA 1.249 57.462 56.287 -0.125 0.000 0.967 136 K CB 0.022 32.529 32.500 0.011 0.000 0.780 136 K HN -0.016 nan 8.250 nan 0.000 0.483 137 S N 0.918 116.222 115.700 -0.659 0.000 2.603 137 S HA -0.009 4.462 4.470 0.001 0.000 0.220 137 S C 0.137 174.289 174.600 -0.747 0.000 0.967 137 S CA 0.330 57.963 58.200 -0.944 0.000 0.920 137 S CB 0.126 62.428 63.200 -1.496 0.000 0.773 137 S HN 0.329 nan 8.310 nan 0.000 0.529 138 T N 3.190 117.456 114.554 -0.480 0.000 3.455 138 T HA 0.174 4.525 4.350 0.001 0.000 0.286 138 T C -0.187 174.654 174.700 0.235 0.000 1.157 138 T CA 0.172 62.231 62.100 -0.069 0.000 1.090 138 T CB -0.371 68.321 68.868 -0.295 0.000 1.112 138 T HN 0.422 nan 8.240 nan 0.000 0.779 139 H N 2.005 121.136 119.070 0.102 0.000 2.621 139 H HA 0.200 4.757 4.556 0.001 0.000 0.360 139 H C -1.714 173.715 175.328 0.169 0.000 1.163 139 H CA -2.811 53.296 56.048 0.097 0.000 1.194 139 H CB 2.287 32.032 29.762 -0.030 0.000 1.649 139 H HN 0.110 nan 8.280 nan 0.000 0.532 140 P HA -0.186 nan 4.420 nan 0.000 0.219 140 P C 1.397 178.788 177.300 0.151 0.000 1.146 140 P CA 1.418 64.643 63.100 0.209 0.000 0.808 140 P CB 0.165 32.017 31.700 0.254 0.000 0.779 141 S N -1.297 114.452 115.700 0.082 0.000 2.440 141 S HA -0.215 4.256 4.470 0.001 0.000 0.238 141 S C 1.760 176.211 174.600 -0.248 0.000 1.010 141 S CA 0.724 58.820 58.200 -0.173 0.000 0.972 141 S CB -1.853 61.017 63.200 -0.549 0.000 0.774 141 S HN 0.105 nan 8.310 nan 0.000 0.501 142 F N 1.812 121.561 119.950 -0.336 0.000 2.250 142 F HA -0.099 4.429 4.527 0.001 0.000 0.301 142 F C 1.766 177.327 175.800 -0.398 0.000 1.077 142 F CA 0.938 58.646 58.000 -0.486 0.000 1.348 142 F CB -0.419 38.142 39.000 -0.732 0.000 1.040 142 F HN 0.095 nan 8.300 nan 0.000 0.509 143 Y N 0.239 120.487 120.300 -0.087 0.000 2.403 143 Y HA -0.195 4.356 4.550 0.001 0.000 0.291 143 Y C 2.125 177.916 175.900 -0.182 0.000 1.143 143 Y CA 1.001 59.057 58.100 -0.073 0.000 1.257 143 Y CB -0.935 37.575 38.460 0.084 0.000 0.984 143 Y HN 0.119 nan 8.280 nan 0.000 0.550 144 L N 0.275 121.443 121.223 -0.091 0.000 2.005 144 L HA -0.151 4.190 4.340 0.001 0.000 0.207 144 L C -0.188 176.588 176.870 -0.156 0.000 1.072 144 L CA 1.319 56.090 54.840 -0.115 0.000 0.744 144 L CB -1.816 40.143 42.059 -0.166 0.000 0.895 144 L HN 0.121 nan 8.230 nan 0.000 0.433 145 P HA -0.037 nan 4.420 nan 0.000 0.224 145 P C 1.197 178.380 177.300 -0.194 0.000 1.157 145 P CA 1.460 64.482 63.100 -0.131 0.000 0.799 145 P CB 0.206 31.881 31.700 -0.041 0.000 0.809 146 A N -0.639 121.958 122.820 -0.372 0.000 1.975 146 A HA 0.087 4.408 4.320 0.001 0.000 0.215 146 A C 2.106 179.581 177.584 -0.182 0.000 1.170 146 A CA 1.429 53.261 52.037 -0.341 0.000 0.656 146 A CB -0.748 17.886 19.000 -0.610 0.000 0.821 146 A HN 0.072 nan 8.150 nan 0.000 0.449 147 V N -2.064 117.753 119.914 -0.161 0.000 3.278 147 V HA 0.199 4.320 4.120 0.001 0.000 0.215 147 V C 2.668 178.563 176.094 -0.332 0.000 1.287 147 V CA 0.697 62.836 62.300 -0.269 0.000 1.302 147 V CB -0.765 31.027 31.823 -0.052 0.000 1.228 147 V HN 0.401 nan 8.190 nan 0.000 0.523 148 A N 0.529 123.293 122.820 -0.093 0.000 1.940 148 A HA -0.102 4.219 4.320 0.001 0.000 0.219 148 A C 2.276 179.868 177.584 0.013 0.000 1.176 148 A CA 2.411 54.468 52.037 0.033 0.000 0.631 148 A CB -0.774 18.259 19.000 0.054 0.000 0.814 148 A HN 0.654 nan 8.150 nan 0.000 0.446 149 A N 0.196 122.992 122.820 -0.040 0.000 1.933 149 A HA -0.189 4.131 4.320 0.001 0.000 0.218 149 A C 1.956 179.534 177.584 -0.009 0.000 1.175 149 A CA 1.684 53.706 52.037 -0.025 0.000 0.628 149 A CB -0.568 18.419 19.000 -0.022 0.000 0.814 149 A HN 0.572 nan 8.150 nan 0.000 0.444 150 N N -0.705 117.975 118.700 -0.034 0.000 2.142 150 N HA -0.090 4.651 4.740 0.001 0.000 0.186 150 N C 1.358 176.942 175.510 0.123 0.000 1.023 150 N CA 1.266 54.350 53.050 0.057 0.000 0.852 150 N CB -0.502 37.967 38.487 -0.029 0.000 0.998 150 N HN 0.434 nan 8.380 nan 0.000 0.424 151 F N 1.755 121.754 119.950 0.082 0.000 2.171 151 F HA -0.053 4.475 4.527 0.001 0.000 0.300 151 F C 2.531 178.358 175.800 0.045 0.000 1.090 151 F CA 0.772 58.834 58.000 0.103 0.000 1.293 151 F CB -1.224 37.822 39.000 0.078 0.000 1.013 151 F HN -0.003 nan 8.300 nan 0.000 0.486 152 T N -1.171 113.486 114.554 0.172 0.000 2.777 152 T HA -0.145 4.206 4.350 0.001 0.000 0.266 152 T C 2.317 176.969 174.700 -0.080 0.000 1.040 152 T CA 1.615 63.736 62.100 0.035 0.000 1.141 152 T CB -0.460 68.407 68.868 -0.002 0.000 0.868 152 T HN 0.143 nan 8.240 nan 0.000 0.444 153 S N 1.310 116.918 115.700 -0.153 0.000 2.383 153 S HA -0.063 4.407 4.470 0.001 0.000 0.229 153 S C 2.559 176.973 174.600 -0.310 0.000 1.030 153 S CA 0.976 58.937 58.200 -0.398 0.000 1.002 153 S CB -0.556 62.149 63.200 -0.824 0.000 0.829 153 S HN 0.591 nan 8.310 nan 0.000 0.467 154 A N 1.257 124.052 122.820 -0.040 0.000 1.883 154 A HA -0.109 4.212 4.320 0.001 0.000 0.217 154 A C 2.369 179.912 177.584 -0.067 0.000 1.186 154 A CA 2.045 54.128 52.037 0.077 0.000 0.624 154 A CB -1.011 18.196 19.000 0.346 0.000 0.822 154 A HN 0.455 nan 8.150 nan 0.000 0.444 155 S N -0.026 115.641 115.700 -0.055 0.000 2.368 155 S HA -0.108 4.363 4.470 0.001 0.000 0.225 155 S C 2.319 176.793 174.600 -0.209 0.000 1.030 155 S CA 1.487 59.613 58.200 -0.124 0.000 0.999 155 S CB -0.298 62.864 63.200 -0.063 0.000 0.844 155 S HN 0.638 nan 8.310 nan 0.000 0.459 156 S N 1.637 117.200 115.700 -0.228 0.000 2.368 156 S HA 0.086 4.556 4.470 0.001 0.000 0.224 156 S C 1.800 176.186 174.600 -0.357 0.000 1.029 156 S CA 0.814 58.833 58.200 -0.301 0.000 0.988 156 S CB -0.359 62.653 63.200 -0.313 0.000 0.838 156 S HN 0.349 nan 8.310 nan 0.000 0.462 157 L N 1.063 122.074 121.223 -0.354 0.000 2.093 157 L HA -0.065 4.276 4.340 0.001 0.000 0.208 157 L C 2.750 179.461 176.870 -0.266 0.000 1.085 157 L CA 1.007 55.667 54.840 -0.299 0.000 0.755 157 L CB -0.646 41.257 42.059 -0.259 0.000 0.904 157 L HN 0.315 nan 8.230 nan 0.000 0.435 158 A N 0.122 122.724 122.820 -0.364 0.000 1.933 158 A HA -0.225 4.095 4.320 0.001 0.000 0.218 158 A C 2.206 179.453 177.584 -0.562 0.000 1.175 158 A CA 1.508 53.178 52.037 -0.613 0.000 0.628 158 A CB -0.652 18.029 19.000 -0.532 0.000 0.814 158 A HN 0.323 nan 8.150 nan 0.000 0.444 159 L N -0.256 120.711 121.223 -0.428 0.000 2.079 159 L HA -0.105 4.235 4.340 0.001 0.000 0.210 159 L C 1.957 178.512 176.870 -0.525 0.000 1.081 159 L CA 1.735 56.291 54.840 -0.473 0.000 0.752 159 L CB -0.365 41.376 42.059 -0.531 0.000 0.896 159 L HN 0.406 nan 8.230 nan 0.000 0.433 160 L N -0.891 120.086 121.223 -0.411 0.000 2.599 160 L HA 0.225 4.566 4.340 0.001 0.000 0.230 160 L C 1.528 178.183 176.870 -0.359 0.000 1.141 160 L CA 0.566 55.245 54.840 -0.268 0.000 0.877 160 L CB -0.610 41.413 42.059 -0.060 0.000 1.009 160 L HN 0.557 nan 8.230 nan 0.000 0.447 161 G N -1.024 107.536 108.800 -0.400 0.000 2.157 161 G HA2 -0.309 3.652 3.960 0.001 0.000 0.239 161 G HA3 -0.309 3.652 3.960 0.001 0.000 0.239 161 G C -0.093 174.594 174.900 -0.356 0.000 0.982 161 G CA -0.467 44.429 45.100 -0.341 0.000 0.650 161 G HN 0.293 nan 8.290 nan 0.000 0.527 162 Y N 1.411 121.607 120.300 -0.174 0.000 2.812 162 Y HA 0.493 5.044 4.550 0.001 0.000 0.354 162 Y C 1.700 177.551 175.900 -0.082 0.000 1.276 162 Y CA -0.416 57.667 58.100 -0.029 0.000 1.639 162 Y CB -0.231 38.245 38.460 0.026 0.000 1.741 162 Y HN 0.361 nan 8.280 nan 0.000 0.479 163 H N -0.944 118.183 119.070 0.095 0.000 2.357 163 H HA -0.137 4.420 4.556 0.001 0.000 0.301 163 H C 1.401 176.807 175.328 0.130 0.000 1.082 163 H CA 2.020 58.072 56.048 0.007 0.000 1.342 163 H CB 0.313 30.069 29.762 -0.010 0.000 1.389 163 H HN 0.394 nan 8.280 nan 0.000 0.511 164 D N 0.189 120.807 120.400 0.364 0.000 2.117 164 D HA -0.102 4.539 4.640 0.001 0.000 0.198 164 D C 2.246 178.745 176.300 0.331 0.000 0.982 164 D CA 0.606 54.835 54.000 0.382 0.000 0.828 164 D CB -0.244 40.728 40.800 0.288 0.000 0.967 164 D HN 0.291 nan 8.370 nan 0.000 0.464 165 L N 0.606 122.006 121.223 0.296 0.000 2.046 165 L HA -0.096 4.245 4.340 0.001 0.000 0.208 165 L C 2.547 179.630 176.870 0.356 0.000 1.077 165 L CA 1.362 56.384 54.840 0.303 0.000 0.747 165 L CB -0.722 41.516 42.059 0.299 0.000 0.896 165 L HN 0.098 nan 8.230 nan 0.000 0.432 166 G N -1.103 107.836 108.800 0.232 0.000 2.440 166 G HA2 -0.304 3.657 3.960 0.001 0.000 0.218 166 G HA3 -0.304 3.657 3.960 0.001 0.000 0.218 166 G C 1.382 176.426 174.900 0.239 0.000 1.154 166 G CA 0.655 45.847 45.100 0.154 0.000 0.767 166 G HN 0.322 nan 8.290 nan 0.000 0.552 167 Y N 0.449 120.903 120.300 0.256 0.000 2.274 167 Y HA -0.018 4.533 4.550 0.001 0.000 0.290 167 Y C 2.807 178.898 175.900 0.319 0.000 1.145 167 Y CA 0.546 58.822 58.100 0.294 0.000 1.203 167 Y CB -0.052 38.536 38.460 0.212 0.000 0.984 167 Y HN 0.087 nan 8.280 nan 0.000 0.533 168 L N -1.726 119.718 121.223 0.368 0.000 2.017 168 L HA -0.247 4.093 4.340 0.001 0.000 0.208 168 L C 2.042 178.970 176.870 0.097 0.000 1.073 168 L CA 1.401 56.341 54.840 0.166 0.000 0.745 168 L CB -0.744 41.322 42.059 0.013 0.000 0.894 168 L HN 0.183 nan 8.230 nan 0.000 0.432 169 F N -0.773 119.289 119.950 0.186 0.000 2.186 169 F HA -0.237 4.291 4.527 0.002 0.000 0.299 169 F C 2.374 178.291 175.800 0.195 0.000 1.090 169 F CA 1.447 59.530 58.000 0.139 0.000 1.307 169 F CB -0.612 38.449 39.000 0.102 0.000 1.019 169 F HN -0.063 nan 8.300 nan 0.000 0.489 170 F N 0.902 121.072 119.950 0.367 0.000 2.069 170 F HA -0.131 4.397 4.527 0.001 0.000 0.298 170 F C 2.410 178.439 175.800 0.382 0.000 1.113 170 F CA 1.848 60.108 58.000 0.432 0.000 1.214 170 F CB -1.024 38.214 39.000 0.397 0.000 0.978 170 F HN -0.058 nan 8.300 nan 0.000 0.474 171 G N -0.457 108.511 108.800 0.280 0.000 2.418 171 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 171 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 171 G C 1.823 176.724 174.900 0.002 0.000 1.158 171 G CA 0.872 46.041 45.100 0.116 0.000 0.771 171 G HN 0.651 nan 8.290 nan 0.000 0.545 172 A N 0.891 123.711 122.820 -0.000 0.000 1.883 172 A HA 0.112 4.433 4.320 0.001 0.000 0.217 172 A C 2.710 180.224 177.584 -0.116 0.000 1.186 172 A CA 2.235 54.245 52.037 -0.047 0.000 0.624 172 A CB -1.100 17.859 19.000 -0.069 0.000 0.822 172 A HN 0.539 nan 8.150 nan 0.000 0.444 173 G N -1.028 107.615 108.800 -0.261 0.000 2.402 173 G HA2 -0.178 3.783 3.960 0.001 0.000 0.216 173 G HA3 -0.178 3.783 3.960 0.001 0.000 0.216 173 G C 1.667 176.288 174.900 -0.466 0.000 1.162 173 G CA 1.141 45.843 45.100 -0.662 0.000 0.777 173 G HN 0.498 nan 8.290 nan 0.000 0.539 174 M N -0.067 119.425 119.600 -0.181 0.000 2.099 174 M HA 0.101 4.582 4.480 0.001 0.000 0.262 174 M C 2.413 178.799 176.300 0.143 0.000 1.067 174 M CA 1.382 56.794 55.300 0.187 0.000 1.124 174 M CB -0.144 32.422 32.600 -0.057 0.000 1.353 174 M HN 0.212 nan 8.290 nan 0.000 0.410 175 I N 0.243 120.833 120.570 0.033 0.000 2.353 175 I HA -0.177 3.994 4.170 0.001 0.000 0.248 175 I C 2.623 178.784 176.117 0.073 0.000 1.119 175 I CA 0.911 62.226 61.300 0.025 0.000 1.417 175 I CB -0.653 37.357 38.000 0.015 0.000 1.078 175 I HN 0.364 nan 8.210 nan 0.000 0.421 176 A N 0.730 123.604 122.820 0.090 0.000 1.940 176 A HA -0.275 4.045 4.320 0.001 0.000 0.219 176 A C 2.097 179.876 177.584 0.325 0.000 1.176 176 A CA 1.760 53.898 52.037 0.168 0.000 0.631 176 A CB -1.103 17.954 19.000 0.096 0.000 0.814 176 A HN 0.694 nan 8.150 nan 0.000 0.446 177 W N 1.065 122.440 121.300 0.126 0.000 2.354 177 W HA -0.180 4.481 4.660 0.002 0.000 0.315 177 W C 1.612 178.279 176.519 0.246 0.000 1.206 177 W CA 1.679 59.171 57.345 0.245 0.000 1.290 177 W CB -0.616 28.933 29.460 0.148 0.000 1.152 177 W HN 0.247 nan 8.180 nan 0.000 0.489 178 I N 0.798 121.229 120.570 -0.231 0.000 2.454 178 I HA -0.242 3.929 4.170 0.001 0.000 0.254 178 I C 2.358 178.395 176.117 -0.133 0.000 1.156 178 I CA 1.417 62.445 61.300 -0.453 0.000 1.433 178 I CB -1.435 36.295 38.000 -0.450 0.000 1.082 178 I HN 0.099 nan 8.210 nan 0.000 0.432 179 I N -0.709 119.881 120.570 0.033 0.000 2.716 179 I HA -0.249 3.922 4.170 0.001 0.000 0.259 179 I C 2.275 178.494 176.117 0.170 0.000 1.172 179 I CA 0.759 62.105 61.300 0.077 0.000 1.478 179 I CB -0.075 37.979 38.000 0.090 0.000 1.104 179 I HN 0.042 nan 8.210 nan 0.000 0.439 180 F N 1.190 121.226 119.950 0.143 0.000 2.262 180 F HA -0.028 4.500 4.527 0.001 0.000 0.292 180 F C 2.363 178.250 175.800 0.145 0.000 1.081 180 F CA 1.187 59.272 58.000 0.142 0.000 1.355 180 F CB -0.159 39.009 39.000 0.280 0.000 1.069 180 F HN -0.036 nan 8.300 nan 0.000 0.506 181 E N 0.440 120.759 120.200 0.198 0.000 2.118 181 E HA -0.196 4.154 4.350 0.001 0.000 0.195 181 E C -0.715 175.856 176.600 -0.048 0.000 0.992 181 E CA 1.502 57.995 56.400 0.155 0.000 0.804 181 E CB -0.945 29.020 29.700 0.440 0.000 0.741 181 E HN 0.261 nan 8.360 nan 0.000 0.458 182 P HA -0.191 nan 4.420 nan 0.000 0.216 182 P C 1.620 178.857 177.300 -0.105 0.000 1.153 182 P CA 2.002 65.062 63.100 -0.066 0.000 0.858 182 P CB -0.166 31.492 31.700 -0.070 0.000 0.789 183 V N -3.103 116.689 119.914 -0.203 0.000 2.719 183 V HA -0.113 4.007 4.120 0.001 0.000 0.252 183 V C 2.141 178.094 176.094 -0.235 0.000 1.065 183 V CA 1.104 63.285 62.300 -0.198 0.000 1.086 183 V CB -1.729 29.978 31.823 -0.193 0.000 0.700 183 V HN -0.047 nan 8.190 nan 0.000 0.467 184 L N 0.325 121.271 121.223 -0.462 0.000 1.994 184 L HA -0.031 4.309 4.340 0.001 0.000 0.208 184 L C 2.363 179.222 176.870 -0.018 0.000 1.071 184 L CA 2.114 56.770 54.840 -0.306 0.000 0.745 184 L CB -0.631 41.156 42.059 -0.453 0.000 0.892 184 L HN 0.289 nan 8.230 nan 0.000 0.431 185 L N -0.927 120.303 121.223 0.012 0.000 2.093 185 L HA -0.191 4.150 4.340 0.001 0.000 0.208 185 L C 2.616 179.516 176.870 0.049 0.000 1.085 185 L CA 1.320 56.207 54.840 0.078 0.000 0.755 185 L CB -0.644 41.489 42.059 0.123 0.000 0.904 185 L HN 0.414 nan 8.230 nan 0.000 0.435 186 Q N -0.029 119.789 119.800 0.030 0.000 2.084 186 Q HA -0.271 4.070 4.340 0.001 0.000 0.202 186 Q C 2.153 178.183 176.000 0.051 0.000 0.978 186 Q CA 1.910 57.730 55.803 0.028 0.000 0.844 186 Q CB -0.217 28.530 28.738 0.016 0.000 0.898 186 Q HN 0.497 nan 8.270 nan 0.000 0.426 187 H N -0.458 118.601 119.070 -0.018 0.000 2.353 187 H HA -0.053 4.504 4.556 0.001 0.000 0.300 187 H C 1.632 176.974 175.328 0.025 0.000 1.090 187 H CA 1.987 58.037 56.048 0.004 0.000 1.327 187 H CB -0.201 29.564 29.762 0.004 0.000 1.383 187 H HN 0.309 nan 8.280 nan 0.000 0.508 188 L N -0.193 121.007 121.223 -0.038 0.000 2.083 188 L HA -0.163 4.178 4.340 0.001 0.000 0.209 188 L C 2.766 179.578 176.870 -0.096 0.000 1.083 188 L CA 1.402 56.203 54.840 -0.065 0.000 0.752 188 L CB -0.398 41.691 42.059 0.050 0.000 0.899 188 L HN 0.283 nan 8.230 nan 0.000 0.433 189 R N 0.012 120.472 120.500 -0.067 0.000 2.091 189 R HA -0.138 4.202 4.340 0.001 0.000 0.238 189 R C 2.227 178.475 176.300 -0.086 0.000 1.136 189 R CA 1.455 57.509 56.100 -0.076 0.000 0.959 189 R CB -0.272 30.002 30.300 -0.044 0.000 0.856 189 R HN 0.377 nan 8.270 nan 0.000 0.437 190 I N -0.939 119.576 120.570 -0.091 0.000 2.429 190 I HA -0.125 4.046 4.170 0.001 0.000 0.247 190 I C 1.678 177.736 176.117 -0.099 0.000 1.099 190 I CA 1.097 62.353 61.300 -0.074 0.000 1.422 190 I CB 0.162 38.138 38.000 -0.039 0.000 1.112 190 I HN 0.021 nan 8.210 nan 0.000 0.430 191 S N -1.535 114.044 115.700 -0.202 0.000 2.613 191 S HA 0.160 4.630 4.470 0.001 0.000 0.235 191 S C 0.710 175.222 174.600 -0.147 0.000 1.073 191 S CA 0.288 58.378 58.200 -0.183 0.000 0.899 191 S CB 0.624 63.672 63.200 -0.253 0.000 0.818 191 S HN 0.394 nan 8.310 nan 0.000 0.484 192 S N -0.006 115.555 115.700 -0.231 0.000 3.330 192 S HA -0.221 4.250 4.470 0.001 0.000 0.630 192 S C -0.890 173.741 174.600 0.052 0.000 2.776 192 S CA 1.004 59.187 58.200 -0.028 0.000 3.494 192 S CB -1.264 62.019 63.200 0.138 0.000 0.291 192 S HN 0.406 nan 8.310 nan 0.000 1.451 193 L N 1.151 122.502 121.223 0.213 0.000 2.401 193 L HA 0.537 4.877 4.340 0.001 0.000 0.266 193 L C -0.036 176.939 176.870 0.175 0.000 0.991 193 L CA -0.809 54.140 54.840 0.181 0.000 0.818 193 L CB 1.826 43.956 42.059 0.118 0.000 1.321 193 L HN 0.668 nan 8.230 nan 0.000 0.413 194 E N 2.655 122.984 120.200 0.215 0.000 2.404 194 E HA 0.025 4.375 4.350 0.001 0.000 0.261 194 E C -1.681 174.885 176.600 -0.057 0.000 1.074 194 E CA -1.339 55.115 56.400 0.091 0.000 0.917 194 E CB 0.553 30.323 29.700 0.116 0.000 0.965 194 E HN 0.337 nan 8.360 nan 0.000 0.433 195 P HA -0.281 nan 4.420 nan 0.000 0.217 195 P C 1.207 178.363 177.300 -0.240 0.000 1.148 195 P CA 1.359 64.318 63.100 -0.236 0.000 0.834 195 P CB 0.082 31.661 31.700 -0.202 0.000 0.783 196 Q N -1.478 118.123 119.800 -0.332 0.000 2.364 196 Q HA -0.101 4.240 4.340 0.001 0.000 0.207 196 Q C 1.019 176.760 176.000 -0.432 0.000 0.970 196 Q CA 1.530 57.070 55.803 -0.437 0.000 0.888 196 Q CB -0.893 27.485 28.738 -0.600 0.000 0.951 196 Q HN 0.286 nan 8.270 nan 0.000 0.469 197 F N 0.235 120.165 119.950 -0.034 0.000 2.678 197 F HA 0.376 4.904 4.527 0.001 0.000 0.305 197 F C 2.204 177.967 175.800 -0.063 0.000 1.090 197 F CA -0.618 57.371 58.000 -0.019 0.000 1.272 197 F CB 0.080 39.045 39.000 -0.058 0.000 1.060 197 F HN -0.049 nan 8.300 nan 0.000 0.576 198 R N 0.584 121.080 120.500 -0.007 0.000 2.148 198 R HA -0.043 4.298 4.340 0.001 0.000 0.227 198 R C 2.272 178.551 176.300 -0.034 0.000 1.103 198 R CA 0.956 56.989 56.100 -0.112 0.000 0.983 198 R CB -0.193 29.866 30.300 -0.402 0.000 0.874 198 R HN 0.238 nan 8.270 nan 0.000 0.451 199 A N 0.164 122.989 122.820 0.008 0.000 2.019 199 A HA -0.150 4.171 4.320 0.001 0.000 0.219 199 A C 2.015 179.649 177.584 0.083 0.000 1.164 199 A CA 1.858 53.942 52.037 0.078 0.000 0.644 199 A CB -0.736 18.322 19.000 0.096 0.000 0.805 199 A HN 0.534 nan 8.150 nan 0.000 0.449 200 T N -2.982 111.642 114.554 0.118 0.000 3.098 200 T HA -0.073 4.278 4.350 0.001 0.000 0.266 200 T C 1.634 176.373 174.700 0.066 0.000 1.145 200 T CA 1.142 63.326 62.100 0.139 0.000 1.092 200 T CB -0.452 68.563 68.868 0.244 0.000 0.908 200 T HN 0.254 nan 8.240 nan 0.000 0.526 201 M N 1.429 121.056 119.600 0.045 0.000 2.267 201 M HA 0.046 4.527 4.480 0.001 0.000 0.263 201 M C 2.595 178.793 176.300 -0.169 0.000 1.063 201 M CA 1.323 56.660 55.300 0.061 0.000 1.090 201 M CB -1.656 31.060 32.600 0.193 0.000 1.392 201 M HN 0.572 nan 8.290 nan 0.000 0.422 202 G N 0.418 108.859 108.800 -0.598 0.000 2.448 202 G HA2 -0.163 3.798 3.960 0.001 0.000 0.219 202 G HA3 -0.163 3.798 3.960 0.001 0.000 0.219 202 G C 1.577 176.180 174.900 -0.494 0.000 1.127 202 G CA 0.379 44.599 45.100 -1.467 0.000 0.766 202 G HN 0.502 nan 8.290 nan 0.000 0.552 203 I N 0.734 121.221 120.570 -0.138 0.000 2.567 203 I HA -0.131 4.039 4.170 0.001 0.000 0.257 203 I C 2.462 178.648 176.117 0.115 0.000 1.184 203 I CA 0.225 61.561 61.300 0.061 0.000 1.451 203 I CB -0.153 37.965 38.000 0.198 0.000 1.089 203 I HN 0.001 nan 8.210 nan 0.000 0.441 204 V N 0.901 120.902 119.914 0.146 0.000 2.720 204 V HA -0.240 3.880 4.120 0.001 0.000 0.256 204 V C 2.340 178.483 176.094 0.081 0.000 1.082 204 V CA 1.270 63.696 62.300 0.210 0.000 1.101 204 V CB -0.508 31.474 31.823 0.266 0.000 0.693 204 V HN 0.390 nan 8.190 nan 0.000 0.479 205 L N 0.795 122.051 121.223 0.055 0.000 2.201 205 L HA -0.006 4.335 4.340 0.001 0.000 0.212 205 L C 2.381 179.295 176.870 0.074 0.000 1.105 205 L CA 2.007 56.909 54.840 0.103 0.000 0.775 205 L CB -0.738 41.435 42.059 0.191 0.000 0.913 205 L HN 0.213 nan 8.230 nan 0.000 0.440 206 A N -0.030 122.782 122.820 -0.012 0.000 1.873 206 A HA -0.016 4.305 4.320 0.001 0.000 0.215 206 A C 0.037 177.494 177.584 -0.212 0.000 1.186 206 A CA 1.392 53.405 52.037 -0.040 0.000 0.616 206 A CB -1.867 17.112 19.000 -0.035 0.000 0.823 206 A HN 0.380 nan 8.150 nan 0.000 0.442 207 P HA -0.221 nan 4.420 nan 0.000 0.214 207 P C 1.807 178.517 177.300 -0.983 0.000 1.169 207 P CA 2.391 64.931 63.100 -0.933 0.000 0.908 207 P CB -0.155 30.503 31.700 -1.736 0.000 0.791 208 A N -1.915 120.396 122.820 -0.848 0.000 1.933 208 A HA -0.175 4.146 4.320 0.001 0.000 0.218 208 A C 1.956 179.283 177.584 -0.428 0.000 1.175 208 A CA 1.515 53.190 52.037 -0.604 0.000 0.628 208 A CB -1.716 17.097 19.000 -0.312 0.000 0.814 208 A HN 0.077 nan 8.150 nan 0.000 0.444 209 F N 0.025 119.858 119.950 -0.195 0.000 2.163 209 F HA -0.097 4.431 4.527 0.003 0.000 0.297 209 F C 2.547 178.286 175.800 -0.101 0.000 1.094 209 F CA 1.437 59.383 58.000 -0.091 0.000 1.290 209 F CB -0.767 38.166 39.000 -0.113 0.000 1.017 209 F HN 0.150 nan 8.300 nan 0.000 0.483 210 V N -2.569 117.338 119.914 -0.011 0.000 2.515 210 V HA -0.253 3.868 4.120 0.001 0.000 0.250 210 V C 2.363 178.195 176.094 -0.438 0.000 1.058 210 V CA 1.577 63.826 62.300 -0.084 0.000 1.064 210 V CB -1.643 30.204 31.823 0.041 0.000 0.675 210 V HN 0.540 nan 8.190 nan 0.000 0.461 211 C N -0.217 118.648 119.300 -0.725 0.000 2.436 211 C HA -0.101 4.360 4.460 0.001 0.000 0.277 211 C C 2.787 177.660 174.990 -0.195 0.000 1.241 211 C CA 1.523 59.931 59.018 -1.016 0.000 1.721 211 C CB -0.777 26.598 27.740 -0.609 0.000 2.043 211 C HN 0.489 nan 8.230 nan 0.000 0.472 212 V N 0.375 120.281 119.914 -0.014 0.000 2.427 212 V HA -0.109 4.012 4.120 0.001 0.000 0.248 212 V C 2.735 178.919 176.094 0.151 0.000 1.051 212 V CA 2.657 65.059 62.300 0.171 0.000 1.048 212 V CB -0.658 31.316 31.823 0.251 0.000 0.666 212 V HN 0.755 nan 8.190 nan 0.000 0.456 213 S N -0.276 115.486 115.700 0.103 0.000 2.356 213 S HA -0.174 4.297 4.470 0.001 0.000 0.223 213 S C 2.152 176.757 174.600 0.008 0.000 1.032 213 S CA 1.868 60.116 58.200 0.079 0.000 1.005 213 S CB -0.485 62.774 63.200 0.099 0.000 0.867 213 S HN 0.817 nan 8.310 nan 0.000 0.449 214 A N 0.071 122.886 122.820 -0.008 0.000 1.902 214 A HA -0.055 4.266 4.320 0.001 0.000 0.217 214 A C 2.045 179.577 177.584 -0.086 0.000 1.181 214 A CA 1.737 53.781 52.037 0.013 0.000 0.623 214 A CB -1.179 17.909 19.000 0.146 0.000 0.818 214 A HN 0.746 nan 8.150 nan 0.000 0.443 215 Y N 0.563 120.713 120.300 -0.250 0.000 2.145 215 Y HA -0.155 4.395 4.550 0.001 0.000 0.286 215 Y C 1.921 177.621 175.900 -0.332 0.000 1.145 215 Y CA 1.809 59.589 58.100 -0.534 0.000 1.148 215 Y CB -0.452 37.798 38.460 -0.350 0.000 0.981 215 Y HN 0.210 nan 8.280 nan 0.000 0.507 216 L N -0.950 120.108 121.223 -0.275 0.000 2.201 216 L HA -0.205 4.135 4.340 0.001 0.000 0.212 216 L C 2.450 179.112 176.870 -0.346 0.000 1.105 216 L CA 1.337 55.971 54.840 -0.342 0.000 0.775 216 L CB -0.593 41.360 42.059 -0.177 0.000 0.913 216 L HN 0.122 nan 8.230 nan 0.000 0.440 217 S N 0.003 115.528 115.700 -0.291 0.000 2.383 217 S HA -0.062 4.409 4.470 0.001 0.000 0.227 217 S C 1.896 176.278 174.600 -0.364 0.000 1.026 217 S CA 1.132 59.159 58.200 -0.288 0.000 0.981 217 S CB -0.118 62.959 63.200 -0.205 0.000 0.818 217 S HN 0.330 nan 8.310 nan 0.000 0.472 218 I N 2.285 122.583 120.570 -0.453 0.000 2.584 218 I HA -0.047 4.123 4.170 0.001 0.000 0.255 218 I C 1.562 177.345 176.117 -0.557 0.000 1.145 218 I CA 0.657 61.641 61.300 -0.527 0.000 1.462 218 I CB -0.274 37.233 38.000 -0.822 0.000 1.102 218 I HN 0.277 nan 8.210 nan 0.000 0.433 219 N N 0.337 118.690 118.700 -0.578 0.000 2.295 219 N HA -0.125 4.616 4.740 0.001 0.000 0.221 219 N C 0.132 175.495 175.510 -0.246 0.000 1.129 219 N CA -0.013 52.795 53.050 -0.403 0.000 0.836 219 N CB -0.546 37.603 38.487 -0.564 0.000 1.040 219 N HN 0.362 nan 8.380 nan 0.000 0.494 220 H N -0.915 118.028 119.070 -0.212 0.000 2.862 220 H HA -0.134 4.423 4.556 0.001 0.000 0.290 220 H C 1.140 176.354 175.328 -0.190 0.000 1.211 220 H CA 0.878 56.822 56.048 -0.174 0.000 1.140 220 H CB -1.741 27.930 29.762 -0.152 0.000 1.341 220 H HN 0.631 nan 8.280 nan 0.000 0.392 221 G N 0.665 109.353 108.800 -0.187 0.000 2.160 221 G HA2 -0.341 3.620 3.960 0.001 0.000 0.251 221 G HA3 -0.341 3.620 3.960 0.001 0.000 0.251 221 G C 0.036 174.831 174.900 -0.174 0.000 1.008 221 G CA 0.648 45.633 45.100 -0.191 0.000 0.724 221 G HN 0.724 nan 8.290 nan 0.000 0.514 222 E N 0.496 120.585 120.200 -0.184 0.000 2.070 222 E HA 0.383 4.733 4.350 0.001 0.000 0.282 222 E C 0.385 176.864 176.600 -0.201 0.000 1.104 222 E CA -0.596 55.710 56.400 -0.156 0.000 0.876 222 E CB 0.542 30.177 29.700 -0.108 0.000 1.055 222 E HN 0.119 nan 8.360 nan 0.000 0.401 223 V N 6.895 126.654 119.914 -0.258 0.000 2.352 223 V HA 0.042 4.163 4.120 0.001 0.000 0.253 223 V C 0.210 176.168 176.094 -0.228 0.000 1.083 223 V CA -0.146 61.916 62.300 -0.396 0.000 0.993 223 V CB -0.108 31.294 31.823 -0.701 0.000 1.111 223 V HN 0.685 nan 8.190 nan 0.000 0.490 224 D N 2.607 122.950 120.400 -0.094 0.000 2.627 224 D HA 0.264 4.904 4.640 0.001 0.000 0.259 224 D C 1.178 177.495 176.300 0.029 0.000 1.164 224 D CA -0.469 53.527 54.000 -0.006 0.000 1.087 224 D CB 0.572 41.410 40.800 0.063 0.000 1.217 224 D HN 0.117 nan 8.370 nan 0.000 0.630 225 T N -0.322 114.260 114.554 0.048 0.000 2.708 225 T HA -0.129 4.222 4.350 0.001 0.000 0.266 225 T C 1.702 176.443 174.700 0.068 0.000 1.037 225 T CA 1.368 63.503 62.100 0.058 0.000 1.146 225 T CB -0.382 68.514 68.868 0.045 0.000 0.865 225 T HN 0.322 nan 8.240 nan 0.000 0.435 226 L N 1.547 122.796 121.223 0.043 0.000 2.042 226 L HA -0.017 4.324 4.340 0.001 0.000 0.210 226 L C 2.589 179.484 176.870 0.041 0.000 1.076 226 L CA 2.043 56.875 54.840 -0.014 0.000 0.749 226 L CB -1.111 40.829 42.059 -0.199 0.000 0.893 226 L HN 0.229 nan 8.230 nan 0.000 0.432 227 A N -0.592 122.292 122.820 0.106 0.000 1.902 227 A HA -0.249 4.072 4.320 0.001 0.000 0.217 227 A C 2.319 180.096 177.584 0.321 0.000 1.181 227 A CA 2.096 54.246 52.037 0.188 0.000 0.623 227 A CB -0.536 18.499 19.000 0.057 0.000 0.818 227 A HN 0.547 nan 8.150 nan 0.000 0.443 228 K N -0.515 120.053 120.400 0.281 0.000 2.097 228 K HA -0.009 4.312 4.320 0.001 0.000 0.205 228 K C 1.796 178.595 176.600 0.330 0.000 1.050 228 K CA 1.376 57.900 56.287 0.394 0.000 0.938 228 K CB -0.345 32.322 32.500 0.278 0.000 0.718 228 K HN 0.517 nan 8.250 nan 0.000 0.442 229 I N 1.207 121.908 120.570 0.219 0.000 2.163 229 I HA -0.312 3.859 4.170 0.001 0.000 0.243 229 I C 2.168 178.410 176.117 0.208 0.000 1.085 229 I CA 1.321 62.727 61.300 0.177 0.000 1.347 229 I CB -0.220 37.844 38.000 0.106 0.000 1.044 229 I HN 0.127 nan 8.210 nan 0.000 0.408 230 L N -1.139 120.214 121.223 0.217 0.000 2.046 230 L HA -0.227 4.114 4.340 0.001 0.000 0.208 230 L C 2.416 179.396 176.870 0.183 0.000 1.077 230 L CA 1.292 56.260 54.840 0.213 0.000 0.747 230 L CB -0.651 41.524 42.059 0.192 0.000 0.896 230 L HN 0.360 nan 8.230 nan 0.000 0.432 231 W N 0.838 122.147 121.300 0.014 0.000 2.363 231 W HA -0.096 4.564 4.660 0.001 0.000 0.296 231 W C 2.443 178.955 176.519 -0.012 0.000 1.212 231 W CA 1.386 58.673 57.345 -0.096 0.000 1.260 231 W CB -0.994 28.466 29.460 0.001 0.000 1.131 231 W HN 0.120 nan 8.180 nan 0.000 0.530 232 G N -1.517 107.461 108.800 0.296 0.000 2.421 232 G HA2 -0.358 3.603 3.960 0.001 0.000 0.216 232 G HA3 -0.358 3.603 3.960 0.001 0.000 0.216 232 G C 1.396 176.340 174.900 0.073 0.000 1.171 232 G CA 1.152 46.375 45.100 0.205 0.000 0.775 232 G HN 0.315 nan 8.290 nan 0.000 0.543 233 Y N 2.036 122.309 120.300 -0.045 0.000 2.242 233 Y HA 0.047 4.598 4.550 0.002 0.000 0.291 233 Y C 2.752 178.491 175.900 -0.269 0.000 1.137 233 Y CA 1.197 59.236 58.100 -0.101 0.000 1.181 233 Y CB -0.425 38.042 38.460 0.012 0.000 0.989 233 Y HN 0.136 nan 8.280 nan 0.000 0.527 234 G N -0.480 108.057 108.800 -0.437 0.000 2.446 234 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 234 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 234 G C 1.454 175.883 174.900 -0.785 0.000 1.168 234 G CA 1.119 45.579 45.100 -1.068 0.000 0.771 234 G HN 0.405 nan 8.290 nan 0.000 0.551 235 F N 0.074 119.714 119.950 -0.517 0.000 2.206 235 F HA 0.121 4.648 4.527 0.001 0.000 0.298 235 F C 2.404 177.592 175.800 -1.020 0.000 1.090 235 F CA 0.548 58.132 58.000 -0.694 0.000 1.323 235 F CB -0.604 37.979 39.000 -0.696 0.000 1.028 235 F HN 0.105 nan 8.300 nan 0.000 0.492 236 L N 0.070 120.942 121.223 -0.585 0.000 2.012 236 L HA -0.240 4.100 4.340 0.001 0.000 0.210 236 L C 2.432 178.802 176.870 -0.833 0.000 1.073 236 L CA 1.837 56.276 54.840 -0.667 0.000 0.748 236 L CB -0.753 40.911 42.059 -0.659 0.000 0.891 236 L HN 0.064 nan 8.230 nan 0.000 0.431 237 Q N -0.721 118.635 119.800 -0.740 0.000 2.124 237 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 237 Q C 2.278 178.206 176.000 -0.119 0.000 0.977 237 Q CA 1.753 57.290 55.803 -0.444 0.000 0.850 237 Q CB -0.786 27.755 28.738 -0.330 0.000 0.901 237 Q HN 0.513 nan 8.270 nan 0.000 0.429 238 L N 0.264 121.399 121.223 -0.146 0.000 2.012 238 L HA -0.176 4.165 4.340 0.001 0.000 0.210 238 L C 2.058 179.042 176.870 0.190 0.000 1.073 238 L CA 1.740 56.597 54.840 0.028 0.000 0.748 238 L CB -0.715 41.304 42.059 -0.067 0.000 0.891 238 L HN -0.010 nan 8.230 nan 0.000 0.431 239 F N -0.794 119.203 119.950 0.078 0.000 2.102 239 F HA -0.196 4.331 4.527 0.001 0.000 0.298 239 F C 2.384 178.358 175.800 0.290 0.000 1.105 239 F CA 0.876 58.953 58.000 0.128 0.000 1.239 239 F CB -1.522 37.528 39.000 0.082 0.000 0.991 239 F HN 0.048 nan 8.300 nan 0.000 0.474 240 F N 0.240 120.335 119.950 0.241 0.000 2.126 240 F HA -0.175 4.353 4.527 0.001 0.000 0.299 240 F C 2.404 178.329 175.800 0.207 0.000 1.096 240 F CA 0.858 58.960 58.000 0.169 0.000 1.255 240 F CB -1.568 37.494 39.000 0.103 0.000 0.997 240 F HN -0.039 nan 8.300 nan 0.000 0.479 241 L N -1.004 120.488 121.223 0.448 0.000 2.156 241 L HA -0.176 4.165 4.340 0.001 0.000 0.208 241 L C 2.426 179.574 176.870 0.463 0.000 1.095 241 L CA 0.585 55.705 54.840 0.466 0.000 0.770 241 L CB -0.623 41.751 42.059 0.524 0.000 0.914 241 L HN 0.103 nan 8.230 nan 0.000 0.439 242 L N -0.585 120.867 121.223 0.381 0.000 2.046 242 L HA -0.201 4.140 4.340 0.001 0.000 0.208 242 L C 2.902 179.947 176.870 0.292 0.000 1.077 242 L CA 1.080 56.100 54.840 0.300 0.000 0.747 242 L CB -0.530 41.681 42.059 0.253 0.000 0.896 242 L HN 0.263 nan 8.230 nan 0.000 0.432 243 R N 0.779 121.440 120.500 0.269 0.000 2.096 243 R HA -0.131 4.210 4.340 0.001 0.000 0.235 243 R C 2.042 178.473 176.300 0.218 0.000 1.127 243 R CA 1.379 57.596 56.100 0.196 0.000 0.968 243 R CB -0.301 30.084 30.300 0.142 0.000 0.861 243 R HN 0.372 nan 8.270 nan 0.000 0.440 244 L N 0.144 121.534 121.223 0.278 0.000 2.552 244 L HA -0.039 4.302 4.340 0.001 0.000 0.227 244 L C 1.971 179.097 176.870 0.426 0.000 1.146 244 L CA -0.025 55.008 54.840 0.321 0.000 0.858 244 L CB -0.326 41.940 42.059 0.344 0.000 0.969 244 L HN 0.088 nan 8.230 nan 0.000 0.451 245 F N 2.078 122.180 119.950 0.253 0.000 2.126 245 F HA -0.121 4.407 4.527 0.002 0.000 0.299 245 F C -0.462 175.441 175.800 0.170 0.000 1.096 245 F CA 1.496 59.618 58.000 0.205 0.000 1.255 245 F CB -1.117 37.943 39.000 0.100 0.000 0.997 245 F HN 0.083 nan 8.300 nan 0.000 0.479 246 P HA -0.213 nan 4.420 nan 0.000 0.216 246 P C 1.157 178.506 177.300 0.082 0.000 1.150 246 P CA 1.888 65.059 63.100 0.119 0.000 0.837 246 P CB -0.427 31.372 31.700 0.164 0.000 0.786 247 W N 0.536 121.824 121.300 -0.020 0.000 2.355 247 W HA -0.141 4.519 4.660 0.001 0.000 0.309 247 W C 1.945 178.425 176.519 -0.064 0.000 1.206 247 W CA 1.293 58.623 57.345 -0.026 0.000 1.284 247 W CB -0.899 28.566 29.460 0.007 0.000 1.145 247 W HN -0.215 nan 8.180 nan 0.000 0.502 248 I N 0.883 121.397 120.570 -0.094 0.000 2.194 248 I HA -0.274 3.897 4.170 0.001 0.000 0.246 248 I C 1.800 177.653 176.117 -0.441 0.000 1.093 248 I CA 1.839 62.925 61.300 -0.357 0.000 1.355 248 I CB -0.851 37.079 38.000 -0.117 0.000 1.046 248 I HN 0.027 nan 8.210 nan 0.000 0.413 249 V N -2.561 117.080 119.914 -0.454 0.000 3.099 249 V HA 0.164 4.284 4.120 0.001 0.000 0.356 249 V C 1.600 177.556 176.094 -0.231 0.000 1.364 249 V CA -0.075 62.005 62.300 -0.367 0.000 1.229 249 V CB -0.162 31.390 31.823 -0.450 0.000 1.227 249 V HN 0.358 nan 8.190 nan 0.000 0.493 250 E N 1.454 121.512 120.200 -0.237 0.000 2.086 250 E HA -0.259 4.092 4.350 0.001 0.000 0.200 250 E C 1.312 177.839 176.600 -0.120 0.000 1.012 250 E CA 1.702 58.010 56.400 -0.152 0.000 0.812 250 E CB 0.154 29.742 29.700 -0.186 0.000 0.743 250 E HN 0.540 nan 8.360 nan 0.000 0.453 251 K N -0.072 120.241 120.400 -0.146 0.000 2.437 251 K HA 0.198 4.519 4.320 0.001 0.000 0.198 251 K C 0.264 176.814 176.600 -0.083 0.000 1.024 251 K CA 0.703 56.927 56.287 -0.105 0.000 1.148 251 K CB 0.845 33.276 32.500 -0.115 0.000 0.860 251 K HN 0.300 nan 8.250 nan 0.000 0.515 252 G N 0.690 109.437 108.800 -0.088 0.000 2.484 252 G HA2 -0.127 3.834 3.960 0.001 0.000 0.685 252 G HA3 -0.127 3.834 3.960 0.001 0.000 0.685 252 G C -1.037 173.826 174.900 -0.063 0.000 1.294 252 G CA -1.119 43.946 45.100 -0.059 0.000 0.879 252 G HN 0.063 nan 8.290 nan 0.000 0.646 253 L N 1.491 122.695 121.223 -0.031 0.000 2.416 253 L HA 0.467 4.808 4.340 0.001 0.000 0.272 253 L C 0.681 177.554 176.870 0.006 0.000 1.161 253 L CA -0.220 54.613 54.840 -0.012 0.000 0.845 253 L CB 0.758 42.823 42.059 0.010 0.000 1.119 253 L HN 0.938 nan 8.230 nan 0.000 0.464 254 N N 1.412 120.120 118.700 0.014 0.000 2.610 254 N HA 0.198 4.939 4.740 0.001 0.000 0.264 254 N C 0.113 175.658 175.510 0.057 0.000 1.348 254 N CA -0.867 52.202 53.050 0.032 0.000 0.819 254 N CB 0.886 39.378 38.487 0.008 0.000 1.521 254 N HN 0.393 nan 8.380 nan 0.000 0.497 255 I N 0.432 121.038 120.570 0.060 0.000 2.530 255 I HA 0.040 4.211 4.170 0.001 0.000 0.257 255 I C 1.893 178.089 176.117 0.132 0.000 1.179 255 I CA 1.633 62.986 61.300 0.087 0.000 1.440 255 I CB -0.597 37.345 38.000 -0.096 0.000 1.087 255 I HN 0.866 nan 8.210 nan 0.000 0.440 256 G N 0.252 109.105 108.800 0.089 0.000 2.479 256 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 256 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 256 G C 1.577 176.598 174.900 0.201 0.000 1.115 256 G CA 0.661 45.836 45.100 0.125 0.000 0.757 256 G HN 0.474 nan 8.290 nan 0.000 0.560 257 L N -1.304 120.033 121.223 0.190 0.000 2.450 257 L HA -0.013 4.327 4.340 0.001 0.000 0.224 257 L C 2.354 179.369 176.870 0.243 0.000 1.149 257 L CA 0.177 55.175 54.840 0.263 0.000 0.816 257 L CB -0.293 41.861 42.059 0.159 0.000 0.932 257 L HN 0.319 nan 8.230 nan 0.000 0.449 258 W N -0.010 121.375 121.300 0.141 0.000 2.424 258 W HA -0.201 4.460 4.660 0.001 0.000 0.264 258 W C 2.538 179.155 176.519 0.163 0.000 1.229 258 W CA 0.869 58.289 57.345 0.126 0.000 1.208 258 W CB -0.262 29.227 29.460 0.049 0.000 1.127 258 W HN 0.165 nan 8.180 nan 0.000 0.588 259 A N -0.307 122.721 122.820 0.347 0.000 1.958 259 A HA -0.251 4.070 4.320 0.001 0.000 0.221 259 A C 1.616 179.285 177.584 0.142 0.000 1.178 259 A CA 1.583 53.752 52.037 0.220 0.000 0.642 259 A CB -1.199 17.878 19.000 0.128 0.000 0.816 259 A HN 0.335 nan 8.150 nan 0.000 0.453 260 F N 0.928 120.969 119.950 0.151 0.000 2.451 260 F HA -0.124 4.404 4.527 0.003 0.000 0.299 260 F C 2.793 178.635 175.800 0.069 0.000 1.101 260 F CA 1.296 59.360 58.000 0.106 0.000 1.436 260 F CB -0.150 38.889 39.000 0.065 0.000 1.074 260 F HN 0.375 nan 8.300 nan 0.000 0.553 261 S N 0.062 115.919 115.700 0.262 0.000 2.423 261 S HA -0.183 4.288 4.470 0.001 0.000 0.231 261 S C 1.991 176.696 174.600 0.176 0.000 1.014 261 S CA 0.963 59.283 58.200 0.200 0.000 0.965 261 S CB -0.795 62.619 63.200 0.356 0.000 0.785 261 S HN 0.348 nan 8.310 nan 0.000 0.495 262 L N 2.672 124.004 121.223 0.181 0.000 1.994 262 L HA 0.174 4.514 4.340 0.001 0.000 0.208 262 L C 2.479 179.410 176.870 0.101 0.000 1.071 262 L CA 2.206 57.129 54.840 0.137 0.000 0.745 262 L CB -1.429 40.709 42.059 0.132 0.000 0.892 262 L HN 0.356 nan 8.230 nan 0.000 0.431 263 G N -0.576 108.284 108.800 0.101 0.000 2.402 263 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 263 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 263 G C 1.612 176.497 174.900 -0.026 0.000 1.162 263 G CA 0.997 46.150 45.100 0.088 0.000 0.777 263 G HN 0.435 nan 8.290 nan 0.000 0.539 264 L N 0.731 121.956 121.223 0.003 0.000 2.012 264 L HA -0.085 4.256 4.340 0.001 0.000 0.210 264 L C 3.402 180.205 176.870 -0.111 0.000 1.073 264 L CA 1.195 55.983 54.840 -0.087 0.000 0.748 264 L CB -0.396 41.626 42.059 -0.062 0.000 0.891 264 L HN 0.300 nan 8.230 nan 0.000 0.431 265 A N -1.085 121.720 122.820 -0.026 0.000 1.969 265 A HA -0.163 4.157 4.320 0.001 0.000 0.218 265 A C 2.480 180.070 177.584 0.011 0.000 1.169 265 A CA 1.937 53.973 52.037 -0.002 0.000 0.635 265 A CB -0.490 18.549 19.000 0.064 0.000 0.810 265 A HN 0.363 nan 8.150 nan 0.000 0.445 266 S N -1.043 114.670 115.700 0.021 0.000 2.406 266 S HA -0.075 4.396 4.470 0.001 0.000 0.228 266 S C 1.943 176.566 174.600 0.040 0.000 1.020 266 S CA 1.285 59.527 58.200 0.071 0.000 0.965 266 S CB -0.300 62.969 63.200 0.115 0.000 0.798 266 S HN 0.625 nan 8.310 nan 0.000 0.488 267 M N 1.347 120.800 119.600 -0.245 0.000 2.086 267 M HA -0.160 4.321 4.480 0.001 0.000 0.261 267 M C 2.200 178.461 176.300 -0.064 0.000 1.067 267 M CA 1.646 56.646 55.300 -0.501 0.000 1.116 267 M CB -0.341 31.707 32.600 -0.920 0.000 1.348 267 M HN 0.395 nan 8.290 nan 0.000 0.407 268 A N 0.346 123.124 122.820 -0.069 0.000 1.877 268 A HA -0.214 4.107 4.320 0.001 0.000 0.216 268 A C 1.943 179.681 177.584 0.258 0.000 1.186 268 A CA 2.020 54.072 52.037 0.025 0.000 0.620 268 A CB -1.146 17.688 19.000 -0.276 0.000 0.822 268 A HN 0.666 nan 8.150 nan 0.000 0.443 269 N N 0.437 119.258 118.700 0.201 0.000 2.084 269 N HA -0.165 4.576 4.740 0.001 0.000 0.190 269 N C 2.060 177.735 175.510 0.274 0.000 1.030 269 N CA 2.220 55.428 53.050 0.263 0.000 0.849 269 N CB -0.203 38.419 38.487 0.226 0.000 1.012 269 N HN 0.534 nan 8.380 nan 0.000 0.423 270 S N 0.399 116.282 115.700 0.305 0.000 2.382 270 S HA -0.001 4.470 4.470 0.001 0.000 0.228 270 S C 2.260 177.127 174.600 0.444 0.000 1.027 270 S CA 1.098 59.519 58.200 0.368 0.000 0.991 270 S CB -0.528 62.980 63.200 0.514 0.000 0.823 270 S HN 0.415 nan 8.310 nan 0.000 0.469 271 A N 2.367 125.512 122.820 0.543 0.000 1.940 271 A HA -0.077 4.244 4.320 0.001 0.000 0.219 271 A C 2.579 180.392 177.584 0.382 0.000 1.176 271 A CA 2.298 54.692 52.037 0.594 0.000 0.631 271 A CB -1.804 17.529 19.000 0.555 0.000 0.814 271 A HN 0.816 nan 8.150 nan 0.000 0.446 272 T N -2.275 112.438 114.554 0.264 0.000 2.788 272 T HA 0.044 4.395 4.350 0.001 0.000 0.268 272 T C 1.864 176.674 174.700 0.184 0.000 1.044 272 T CA 1.734 63.916 62.100 0.137 0.000 1.139 272 T CB -0.492 68.430 68.868 0.091 0.000 0.867 272 T HN 0.555 nan 8.240 nan 0.000 0.454 273 A N 0.395 123.309 122.820 0.158 0.000 1.930 273 A HA 0.266 4.587 4.320 0.001 0.000 0.215 273 A C 1.977 179.586 177.584 0.041 0.000 1.176 273 A CA 0.722 52.792 52.037 0.056 0.000 0.632 273 A CB -0.967 18.005 19.000 -0.045 0.000 0.819 273 A HN 0.462 nan 8.150 nan 0.000 0.445 274 F N -1.602 118.292 119.950 -0.092 0.000 2.134 274 F HA -0.151 4.377 4.527 0.001 0.000 0.299 274 F C 2.191 177.995 175.800 0.007 0.000 1.097 274 F CA 1.682 59.592 58.000 -0.151 0.000 1.264 274 F CB -0.800 37.956 39.000 -0.406 0.000 1.001 274 F HN 0.406 nan 8.300 nan 0.000 0.479 275 Y N -0.388 120.021 120.300 0.181 0.000 2.145 275 Y HA -0.319 4.233 4.550 0.002 0.000 0.286 275 Y C 2.809 178.743 175.900 0.056 0.000 1.145 275 Y CA 2.263 60.427 58.100 0.106 0.000 1.148 275 Y CB -0.734 37.766 38.460 0.066 0.000 0.981 275 Y HN 0.140 nan 8.280 nan 0.000 0.507 276 H N -0.958 118.182 119.070 0.117 0.000 2.456 276 H HA -0.025 4.531 4.556 0.001 0.000 0.296 276 H C 2.094 177.373 175.328 -0.082 0.000 1.079 276 H CA 1.412 57.471 56.048 0.018 0.000 1.322 276 H CB -0.434 29.343 29.762 0.024 0.000 1.388 276 H HN 0.390 nan 8.280 nan 0.000 0.538 277 G N -0.652 108.122 108.800 -0.042 0.000 2.985 277 G HA2 -0.157 3.804 3.960 0.001 0.000 0.209 277 G HA3 -0.157 3.804 3.960 0.001 0.000 0.209 277 G C 0.224 175.025 174.900 -0.166 0.000 1.165 277 G CA 0.302 45.324 45.100 -0.131 0.000 0.776 277 G HN 0.530 nan 8.290 nan 0.000 0.541 278 N N -0.853 117.726 118.700 -0.202 0.000 2.725 278 N HA -0.185 4.556 4.740 0.001 0.000 0.251 278 N C -0.702 174.747 175.510 -0.101 0.000 1.031 278 N CA 0.636 53.565 53.050 -0.202 0.000 0.720 278 N CB -1.269 37.103 38.487 -0.192 0.000 0.930 278 N HN 0.108 nan 8.380 nan 0.000 0.543 279 V N 1.871 121.762 119.914 -0.039 0.000 2.444 279 V HA 0.415 4.536 4.120 0.001 0.000 0.294 279 V C 1.096 177.332 176.094 0.236 0.000 1.022 279 V CA -0.755 61.588 62.300 0.072 0.000 0.850 279 V CB 1.602 33.433 31.823 0.013 0.000 0.992 279 V HN 0.345 nan 8.190 nan 0.000 0.426 280 L N 4.470 125.821 121.223 0.213 0.000 3.762 280 L HA -0.281 4.060 4.340 0.001 0.000 0.460 280 L C 1.819 178.858 176.870 0.283 0.000 1.255 280 L CA 0.400 55.398 54.840 0.263 0.000 0.783 280 L CB -1.046 41.254 42.059 0.402 0.000 1.600 280 L HN 0.793 nan 8.230 nan 0.000 0.862 281 Q N 0.224 120.127 119.800 0.171 0.000 2.124 281 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 281 Q C 2.136 178.314 176.000 0.297 0.000 0.977 281 Q CA 1.740 57.669 55.803 0.210 0.000 0.850 281 Q CB -0.001 28.715 28.738 -0.036 0.000 0.901 281 Q HN 0.843 nan 8.270 nan 0.000 0.429 282 G N 0.276 109.193 108.800 0.194 0.000 2.404 282 G HA2 -0.202 3.759 3.960 0.001 0.000 0.215 282 G HA3 -0.202 3.759 3.960 0.001 0.000 0.215 282 G C 1.516 176.526 174.900 0.182 0.000 1.174 282 G CA 0.784 45.982 45.100 0.164 0.000 0.780 282 G HN 0.208 nan 8.290 nan 0.000 0.537 283 V N 2.015 122.027 119.914 0.163 0.000 2.332 283 V HA -0.228 3.892 4.120 0.001 0.000 0.248 283 V C 3.289 179.563 176.094 0.301 0.000 1.055 283 V CA 2.402 64.775 62.300 0.123 0.000 1.038 283 V CB -0.628 31.200 31.823 0.008 0.000 0.651 283 V HN 0.628 nan 8.190 nan 0.000 0.450 284 S N 0.144 116.114 115.700 0.450 0.000 2.368 284 S HA -0.147 4.324 4.470 0.001 0.000 0.224 284 S C 1.970 176.783 174.600 0.354 0.000 1.029 284 S CA 1.618 60.147 58.200 0.549 0.000 0.988 284 S CB -0.646 62.921 63.200 0.612 0.000 0.838 284 S HN 0.526 nan 8.310 nan 0.000 0.462 285 I N 0.781 121.520 120.570 0.280 0.000 2.179 285 I HA -0.099 4.072 4.170 0.001 0.000 0.242 285 I C 2.400 178.633 176.117 0.195 0.000 1.088 285 I CA 1.759 63.155 61.300 0.160 0.000 1.357 285 I CB -0.497 37.576 38.000 0.121 0.000 1.051 285 I HN 0.325 nan 8.210 nan 0.000 0.409 286 F N 2.003 122.010 119.950 0.095 0.000 2.095 286 F HA -0.282 4.246 4.527 0.001 0.000 0.298 286 F C 2.451 178.314 175.800 0.105 0.000 1.104 286 F CA 1.624 59.665 58.000 0.068 0.000 1.232 286 F CB -0.479 38.513 39.000 -0.012 0.000 0.987 286 F HN 0.003 nan 8.300 nan 0.000 0.475 287 A N -0.056 122.758 122.820 -0.010 0.000 1.902 287 A HA -0.199 4.122 4.320 0.001 0.000 0.217 287 A C 2.200 179.723 177.584 -0.100 0.000 1.181 287 A CA 1.660 53.618 52.037 -0.132 0.000 0.623 287 A CB -1.653 17.405 19.000 0.096 0.000 0.818 287 A HN 0.572 nan 8.150 nan 0.000 0.443 288 F N 0.380 120.267 119.950 -0.105 0.000 2.146 288 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 288 F C 2.266 177.967 175.800 -0.166 0.000 1.096 288 F CA 1.839 59.754 58.000 -0.143 0.000 1.275 288 F CB -0.105 38.792 39.000 -0.171 0.000 1.008 288 F HN 0.032 nan 8.300 nan 0.000 0.480 289 V N 0.009 119.922 119.914 -0.001 0.000 2.307 289 V HA -0.287 3.834 4.120 0.001 0.000 0.245 289 V C 2.171 178.154 176.094 -0.184 0.000 1.045 289 V CA 2.002 64.264 62.300 -0.064 0.000 1.024 289 V CB -1.017 30.813 31.823 0.011 0.000 0.651 289 V HN 0.448 nan 8.190 nan 0.000 0.449 290 F N 1.354 121.023 119.950 -0.468 0.000 2.091 290 F HA -0.239 4.289 4.527 0.002 0.000 0.299 290 F C 2.597 178.167 175.800 -0.383 0.000 1.103 290 F CA 2.149 59.843 58.000 -0.509 0.000 1.228 290 F CB -0.383 38.065 39.000 -0.920 0.000 0.984 290 F HN 0.075 nan 8.300 nan 0.000 0.477 291 S N 0.541 116.068 115.700 -0.288 0.000 2.368 291 S HA -0.206 4.265 4.470 0.001 0.000 0.225 291 S C 1.837 176.217 174.600 -0.368 0.000 1.030 291 S CA 1.350 59.348 58.200 -0.336 0.000 0.999 291 S CB -0.544 62.484 63.200 -0.288 0.000 0.844 291 S HN 0.498 nan 8.310 nan 0.000 0.459 292 N N 0.949 119.430 118.700 -0.364 0.000 2.142 292 N HA -0.060 4.680 4.740 0.001 0.000 0.186 292 N C 1.781 177.164 175.510 -0.212 0.000 1.023 292 N CA 1.094 54.002 53.050 -0.237 0.000 0.852 292 N CB -0.302 38.084 38.487 -0.168 0.000 0.998 292 N HN 0.196 nan 8.380 nan 0.000 0.424 293 V N 1.937 121.690 119.914 -0.269 0.000 2.343 293 V HA -0.219 3.902 4.120 0.001 0.000 0.247 293 V C 2.472 178.354 176.094 -0.354 0.000 1.051 293 V CA 1.273 63.411 62.300 -0.270 0.000 1.036 293 V CB -0.331 31.326 31.823 -0.277 0.000 0.654 293 V HN 0.270 nan 8.190 nan 0.000 0.451 294 M N -0.809 118.483 119.600 -0.514 0.000 2.132 294 M HA -0.072 4.409 4.480 0.001 0.000 0.263 294 M C 2.196 178.249 176.300 -0.412 0.000 1.065 294 M CA 1.839 56.817 55.300 -0.535 0.000 1.122 294 M CB -1.025 31.147 32.600 -0.714 0.000 1.365 294 M HN 0.274 nan 8.290 nan 0.000 0.411 295 I N -0.280 120.084 120.570 -0.344 0.000 2.394 295 I HA -0.171 4.000 4.170 0.001 0.000 0.251 295 I C 2.523 178.490 176.117 -0.250 0.000 1.136 295 I CA 1.140 62.255 61.300 -0.307 0.000 1.425 295 I CB -0.907 36.997 38.000 -0.161 0.000 1.079 295 I HN 0.324 nan 8.210 nan 0.000 0.425 296 G N 1.253 109.941 108.800 -0.187 0.000 2.440 296 G HA2 -0.206 3.754 3.960 0.001 0.000 0.218 296 G HA3 -0.206 3.754 3.960 0.001 0.000 0.218 296 G C 1.704 176.513 174.900 -0.151 0.000 1.154 296 G CA 0.550 45.572 45.100 -0.129 0.000 0.767 296 G HN 0.270 nan 8.290 nan 0.000 0.552 297 L N -0.142 120.954 121.223 -0.212 0.000 2.046 297 L HA -0.001 4.339 4.340 0.001 0.000 0.208 297 L C 2.922 179.656 176.870 -0.228 0.000 1.077 297 L CA 0.463 55.179 54.840 -0.207 0.000 0.747 297 L CB -0.413 41.499 42.059 -0.244 0.000 0.896 297 L HN 0.189 nan 8.230 nan 0.000 0.432 298 L N -0.937 120.063 121.223 -0.371 0.000 2.042 298 L HA -0.231 4.109 4.340 0.001 0.000 0.210 298 L C 2.554 179.298 176.870 -0.211 0.000 1.076 298 L CA 1.047 55.557 54.840 -0.550 0.000 0.749 298 L CB -0.597 40.673 42.059 -1.314 0.000 0.893 298 L HN 0.067 nan 8.230 nan 0.000 0.432 299 V N 0.070 119.937 119.914 -0.078 0.000 2.295 299 V HA -0.295 3.826 4.120 0.001 0.000 0.246 299 V C 2.405 178.561 176.094 0.102 0.000 1.049 299 V CA 1.694 64.094 62.300 0.166 0.000 1.024 299 V CB -0.363 31.534 31.823 0.124 0.000 0.648 299 V HN 0.337 nan 8.190 nan 0.000 0.447 300 L N -0.902 120.332 121.223 0.020 0.000 2.017 300 L HA -0.265 4.076 4.340 0.001 0.000 0.208 300 L C 2.557 179.467 176.870 0.068 0.000 1.073 300 L CA 2.235 57.089 54.840 0.024 0.000 0.745 300 L CB -0.581 41.462 42.059 -0.028 0.000 0.894 300 L HN 0.385 nan 8.230 nan 0.000 0.432 301 M N -0.444 119.179 119.600 0.039 0.000 2.106 301 M HA -0.241 4.240 4.480 0.001 0.000 0.259 301 M C 2.141 178.569 176.300 0.214 0.000 1.068 301 M CA 2.234 57.590 55.300 0.093 0.000 1.100 301 M CB -0.221 32.396 32.600 0.027 0.000 1.351 301 M HN 0.195 nan 8.290 nan 0.000 0.404 302 T N 1.199 115.892 114.554 0.231 0.000 2.770 302 T HA -0.046 4.304 4.350 0.001 0.000 0.263 302 T C 1.732 176.534 174.700 0.170 0.000 1.039 302 T CA 1.684 63.964 62.100 0.298 0.000 1.142 302 T CB -0.378 68.758 68.868 0.447 0.000 0.868 302 T HN 0.428 nan 8.240 nan 0.000 0.435 303 I N 0.202 120.843 120.570 0.119 0.000 2.194 303 I HA -0.236 3.934 4.170 0.001 0.000 0.246 303 I C 2.266 178.436 176.117 0.090 0.000 1.093 303 I CA 1.613 62.945 61.300 0.055 0.000 1.355 303 I CB -0.418 37.613 38.000 0.051 0.000 1.046 303 I HN 0.226 nan 8.210 nan 0.000 0.413 304 Y N 2.054 122.369 120.300 0.026 0.000 2.128 304 Y HA -0.297 4.253 4.550 0.000 0.000 0.284 304 Y C 2.516 178.442 175.900 0.043 0.000 1.154 304 Y CA 1.712 59.828 58.100 0.026 0.000 1.149 304 Y CB -0.136 38.338 38.460 0.024 0.000 0.976 304 Y HN -0.067 nan 8.280 nan 0.000 0.505 305 K N 0.432 120.886 120.400 0.090 0.000 2.063 305 K HA -0.162 4.159 4.320 0.001 0.000 0.208 305 K C 2.261 178.871 176.600 0.017 0.000 1.048 305 K CA 1.545 57.859 56.287 0.044 0.000 0.928 305 K CB -0.909 31.716 32.500 0.207 0.000 0.713 305 K HN 0.436 nan 8.250 nan 0.000 0.442 306 L N 0.610 121.840 121.223 0.012 0.000 2.083 306 L HA -0.160 4.181 4.340 0.001 0.000 0.209 306 L C 2.272 179.100 176.870 -0.070 0.000 1.083 306 L CA 1.187 55.985 54.840 -0.070 0.000 0.752 306 L CB -0.481 41.445 42.059 -0.221 0.000 0.899 306 L HN 0.157 nan 8.230 nan 0.000 0.433 307 T N -0.879 113.614 114.554 -0.101 0.000 2.915 307 T HA -0.112 4.239 4.350 0.001 0.000 0.269 307 T C 1.645 176.258 174.700 -0.146 0.000 1.071 307 T CA 0.998 63.027 62.100 -0.118 0.000 1.132 307 T CB 0.038 68.825 68.868 -0.134 0.000 0.878 307 T HN 0.117 nan 8.240 nan 0.000 0.479 308 K N 0.203 120.483 120.400 -0.200 0.000 2.374 308 K HA 0.286 4.607 4.320 0.001 0.000 0.196 308 K C 1.277 177.836 176.600 -0.068 0.000 1.023 308 K CA 0.297 56.480 56.287 -0.173 0.000 1.103 308 K CB 0.371 32.705 32.500 -0.276 0.000 0.848 308 K HN 0.371 nan 8.250 nan 0.000 0.528 309 G N 2.506 111.292 108.800 -0.024 0.000 2.246 309 G HA2 -0.297 3.663 3.960 0.001 0.000 0.273 309 G HA3 -0.297 3.663 3.960 0.001 0.000 0.273 309 G C 0.173 175.109 174.900 0.060 0.000 1.055 309 G CA 0.295 45.418 45.100 0.039 0.000 0.851 309 G HN 0.453 nan 8.290 nan 0.000 0.500 310 Q N -1.670 118.167 119.800 0.062 0.000 2.157 310 Q HA 0.453 4.794 4.340 0.001 0.000 0.229 310 Q C 1.362 177.431 176.000 0.116 0.000 0.827 310 Q CA -0.515 55.329 55.803 0.068 0.000 1.055 310 Q CB 0.402 29.160 28.738 0.034 0.000 1.157 310 Q HN 0.559 nan 8.270 nan 0.000 0.482 311 F N 0.069 120.004 119.950 -0.025 0.000 2.202 311 F HA 0.179 4.707 4.527 0.002 0.000 0.279 311 F C 0.332 176.099 175.800 -0.053 0.000 1.077 311 F CA 0.125 58.081 58.000 -0.073 0.000 1.193 311 F CB 0.409 39.251 39.000 -0.265 0.000 1.090 311 F HN -0.101 nan 8.300 nan 0.000 0.516 312 F N 1.890 121.983 119.950 0.238 0.000 2.444 312 F HA 0.202 4.730 4.527 0.002 0.000 0.331 312 F C 0.644 176.378 175.800 -0.110 0.000 1.167 312 F CA -0.549 57.432 58.000 -0.031 0.000 1.262 312 F CB 0.011 39.035 39.000 0.039 0.000 1.196 312 F HN -0.130 nan 8.300 nan 0.000 0.583 313 L N 0.000 121.226 121.223 0.006 0.000 2.949 313 L HA 0.000 4.341 4.340 0.001 0.000 0.249 313 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 313 L CB 0.000 41.988 42.059 -0.119 0.000 0.961 313 L HN 0.000 nan 8.230 nan 0.000 0.502