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 2vak_1_C DATA FIRST_RESID 10 DATA SEQUENCE TMARAIYDFF STPFGNRGLA TNRTQLSSLL SSSNSPWQXX XXXXXXXXXX DATA SEQUENCE XIVSTPEAPY PGSLMYQESM LHSATVPGVL GSRDAWRTFN VFGLSWTDEG DATA SEQUENCE LSGLVAAQDP PPAAPYQPAS AQWSDLLNYP RWANRRRELQ SKYPLLLRST DATA SEQUENCE LLSAMRAGPV LYVETWPNMI SGRLADWFMS QYGNNFVDMC ARLTQSCSNM DATA SEQUENCE PVEPDGNYDQ QMRALISLWL LSYIGVVNQT NTISGFYFSS KTRGQALDSW DATA SEQUENCE TLFYTTNTNR VQITQRHFAY VCARSPDWNV DKSWIAAANL TAIVMACRQP DATA SEQUENCE PVFANQGVIN QAQNRPGFSM NGGTPVHELN LLTTAQECIR QWVMAGLVSA DATA SEQUENCE AKGQALTQEA NDFSNLIQAD LGQIKAQDDA LYNQQPGYAR RIKPFVNGDW DATA SEQUENCE TPGMTAQALA VLATFTA 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.639 174.700 -0.101 0.000 1.109 10 T CA 0.000 62.029 62.100 -0.118 0.000 1.349 10 T CB 0.000 68.789 68.868 -0.131 0.000 0.612 11 M N 2.805 122.347 119.600 -0.097 0.000 2.233 11 M HA 0.664 5.143 4.480 -0.002 0.000 0.350 11 M C 0.904 177.149 176.300 -0.091 0.000 1.176 11 M CA 0.137 55.384 55.300 -0.087 0.000 1.150 11 M CB 0.588 33.137 32.600 -0.085 0.000 1.530 11 M HN 0.735 nan 8.290 nan 0.000 0.459 12 A N 3.463 126.235 122.820 -0.081 0.000 2.366 12 A HA 0.288 4.607 4.320 -0.002 0.000 0.250 12 A C 0.117 177.640 177.584 -0.102 0.000 1.099 12 A CA -0.357 51.632 52.037 -0.081 0.000 0.794 12 A CB 0.198 19.162 19.000 -0.061 0.000 1.056 12 A HN 0.833 nan 8.150 nan 0.000 0.499 13 R N 0.630 121.051 120.500 -0.132 0.000 2.316 13 R HA 0.373 4.712 4.340 -0.002 0.000 0.314 13 R C 0.818 176.987 176.300 -0.220 0.000 1.069 13 R CA 0.469 56.419 56.100 -0.251 0.000 0.959 13 R CB 0.469 30.489 30.300 -0.468 0.000 0.987 13 R HN 0.757 nan 8.270 nan 0.000 0.446 14 A N 5.409 128.114 122.820 -0.192 0.000 1.862 14 A HA 0.051 4.369 4.320 -0.002 0.000 0.211 14 A C 0.613 178.140 177.584 -0.095 0.000 1.220 14 A CA 0.303 52.285 52.037 -0.092 0.000 0.616 14 A CB -0.074 18.887 19.000 -0.064 0.000 0.878 14 A HN 0.678 nan 8.150 nan 0.000 0.453 15 I N -0.966 119.490 120.570 -0.190 0.000 2.336 15 I HA 0.477 4.646 4.170 -0.002 0.000 0.292 15 I C -1.604 174.342 176.117 -0.285 0.000 0.991 15 I CA -0.898 60.335 61.300 -0.112 0.000 1.227 15 I CB 0.959 38.926 38.000 -0.055 0.000 1.366 15 I HN 0.252 nan 8.210 nan 0.000 0.466 16 Y N 5.950 126.187 120.300 -0.104 0.000 2.931 16 Y HA 0.417 4.966 4.550 -0.002 0.000 0.330 16 Y C -0.207 175.795 175.900 0.171 0.000 1.115 16 Y CA -0.762 57.226 58.100 -0.187 0.000 1.283 16 Y CB 0.126 38.364 38.460 -0.369 0.000 1.215 16 Y HN 0.500 nan 8.280 nan 0.000 0.534 17 D N 2.052 122.691 120.400 0.398 0.000 2.264 17 D HA 0.194 4.832 4.640 -0.002 0.000 0.249 17 D C -1.021 175.715 176.300 0.726 0.000 1.070 17 D CA -0.000 54.287 54.000 0.479 0.000 0.912 17 D CB 1.318 42.245 40.800 0.213 0.000 1.193 17 D HN 0.279 nan 8.370 nan 0.000 0.427 18 F N 2.482 122.774 119.950 0.570 0.000 2.518 18 F HA 0.432 4.958 4.527 -0.002 0.000 0.323 18 F C -1.623 174.380 175.800 0.337 0.000 1.129 18 F CA -1.138 57.123 58.000 0.435 0.000 0.920 18 F CB 1.025 40.223 39.000 0.330 0.000 1.160 18 F HN 0.079 nan 8.300 nan 0.000 0.440 19 F N 5.563 124.916 119.950 -0.995 0.000 2.388 19 F HA 0.446 4.972 4.527 -0.002 0.000 0.358 19 F C 0.161 175.173 175.800 -1.312 0.000 1.122 19 F CA -0.751 56.468 58.000 -1.302 0.000 1.056 19 F CB 0.993 39.093 39.000 -1.499 0.000 1.155 19 F HN 0.524 nan 8.300 nan 0.000 0.461 20 S N 2.806 117.826 115.700 -1.133 0.000 2.593 20 S HA 0.219 4.688 4.470 -0.002 0.000 0.269 20 S C 0.122 174.377 174.600 -0.575 0.000 1.334 20 S CA -0.781 57.070 58.200 -0.582 0.000 1.015 20 S CB 0.513 63.627 63.200 -0.143 0.000 0.912 20 S HN 0.639 nan 8.310 nan 0.000 0.541 21 T N 4.403 118.831 114.554 -0.211 0.000 2.792 21 T HA 0.210 4.559 4.350 -0.002 0.000 0.286 21 T C -2.348 172.290 174.700 -0.103 0.000 0.970 21 T CA -0.349 61.685 62.100 -0.108 0.000 1.187 21 T CB -0.378 68.455 68.868 -0.059 0.000 0.915 21 T HN 0.513 nan 8.240 nan 0.000 0.529 22 P HA 0.265 nan 4.420 nan 0.000 0.268 22 P C -0.559 176.742 177.300 0.003 0.000 1.204 22 P CA -0.186 62.808 63.100 -0.176 0.000 0.768 22 P CB 0.235 31.890 31.700 -0.075 0.000 0.842 23 F N 0.242 120.184 119.950 -0.013 0.000 2.706 23 F HA 0.887 5.413 4.527 -0.002 0.000 0.328 23 F C 0.463 176.311 175.800 0.080 0.000 1.123 23 F CA -0.946 57.067 58.000 0.021 0.000 0.978 23 F CB 0.546 39.584 39.000 0.063 0.000 1.404 23 F HN 0.347 nan 8.300 nan 0.000 0.497 24 G N 0.041 109.149 108.800 0.513 0.000 3.099 24 G HA2 0.168 4.127 3.960 -0.002 0.000 0.151 24 G HA3 0.168 4.127 3.960 -0.002 0.000 0.151 24 G C -0.018 175.142 174.900 0.434 0.000 1.265 24 G CA -0.611 44.723 45.100 0.390 0.000 0.981 24 G HN 0.576 nan 8.290 nan 0.000 0.601 25 N N 0.423 119.288 118.700 0.275 0.000 2.192 25 N HA -0.084 4.655 4.740 -0.002 0.000 0.188 25 N C 1.529 177.080 175.510 0.069 0.000 1.013 25 N CA 0.774 53.905 53.050 0.134 0.000 0.863 25 N CB -0.019 38.498 38.487 0.050 0.000 0.990 25 N HN 0.254 nan 8.380 nan 0.000 0.430 26 R N 0.464 120.954 120.500 -0.017 0.000 2.586 26 R HA 0.354 4.693 4.340 -0.002 0.000 0.336 26 R C 0.939 177.203 176.300 -0.059 0.000 1.060 26 R CA 0.058 56.057 56.100 -0.168 0.000 1.079 26 R CB -0.158 29.840 30.300 -0.505 0.000 1.317 26 R HN 0.136 nan 8.270 nan 0.000 0.568 27 G N 1.369 110.204 108.800 0.058 0.000 2.693 27 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.226 27 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.226 27 G C -0.630 173.719 174.900 -0.918 0.000 1.354 27 G CA -0.518 44.290 45.100 -0.486 0.000 0.873 27 G HN 0.275 nan 8.290 nan 0.000 0.562 28 L N 0.969 121.302 121.223 -1.482 0.000 2.513 28 L HA 0.547 4.885 4.340 -0.002 0.000 0.272 28 L C 1.618 178.390 176.870 -0.163 0.000 1.187 28 L CA 1.148 55.554 54.840 -0.723 0.000 0.895 28 L CB 0.631 42.470 42.059 -0.367 0.000 1.147 28 L HN 1.707 nan 8.230 nan 0.000 0.483 29 A N 3.960 126.753 122.820 -0.045 0.000 2.958 29 A HA 0.379 4.698 4.320 -0.002 0.000 0.247 29 A C 0.507 178.025 177.584 -0.110 0.000 1.679 29 A CA 0.364 52.427 52.037 0.043 0.000 1.345 29 A CB -0.856 18.117 19.000 -0.045 0.000 1.013 29 A HN 0.769 nan 8.150 nan 0.000 0.641 30 T N -0.418 113.982 114.554 -0.257 0.000 2.812 30 T HA 0.609 4.957 4.350 -0.002 0.000 0.294 30 T C -0.839 173.493 174.700 -0.613 0.000 1.159 30 T CA -0.345 61.492 62.100 -0.437 0.000 1.008 30 T CB 1.136 69.684 68.868 -0.533 0.000 1.289 30 T HN 0.730 nan 8.240 nan 0.000 0.514 31 N N -0.197 118.162 118.700 -0.569 0.000 2.972 31 N HA 0.409 5.147 4.740 -0.002 0.000 0.262 31 N C 0.602 175.901 175.510 -0.352 0.000 1.478 31 N CA -1.027 51.747 53.050 -0.459 0.000 0.841 31 N CB 0.829 39.213 38.487 -0.172 0.000 1.512 31 N HN 0.519 nan 8.380 nan 0.000 0.548 32 R N -0.839 119.586 120.500 -0.125 0.000 2.091 32 R HA -0.103 4.236 4.340 -0.002 0.000 0.238 32 R C 0.763 177.008 176.300 -0.092 0.000 1.136 32 R CA 2.457 58.521 56.100 -0.061 0.000 0.959 32 R CB -0.744 29.566 30.300 0.016 0.000 0.856 32 R HN 0.766 nan 8.270 nan 0.000 0.437 33 T N 0.458 114.958 114.554 -0.089 0.000 2.708 33 T HA -0.218 4.131 4.350 -0.002 0.000 0.266 33 T C 1.710 176.347 174.700 -0.105 0.000 1.037 33 T CA 1.498 63.549 62.100 -0.081 0.000 1.146 33 T CB -0.236 68.591 68.868 -0.067 0.000 0.865 33 T HN 0.392 nan 8.240 nan 0.000 0.435 34 Q N 0.464 120.176 119.800 -0.147 0.000 1.993 34 Q HA -0.055 4.283 4.340 -0.002 0.000 0.202 34 Q C 2.406 178.310 176.000 -0.161 0.000 0.984 34 Q CA 1.263 56.971 55.803 -0.158 0.000 0.837 34 Q CB -0.326 28.291 28.738 -0.202 0.000 0.902 34 Q HN 0.478 nan 8.270 nan 0.000 0.423 35 L N 0.298 121.399 121.223 -0.203 0.000 2.013 35 L HA -0.252 4.087 4.340 -0.002 0.000 0.212 35 L C 2.546 179.332 176.870 -0.142 0.000 1.073 35 L CA 1.424 56.151 54.840 -0.189 0.000 0.753 35 L CB -0.586 41.349 42.059 -0.207 0.000 0.890 35 L HN 0.203 nan 8.230 nan 0.000 0.432 36 S N -0.141 115.490 115.700 -0.115 0.000 2.400 36 S HA -0.194 4.275 4.470 -0.002 0.000 0.232 36 S C 2.171 176.725 174.600 -0.076 0.000 1.025 36 S CA 1.550 59.698 58.200 -0.087 0.000 0.993 36 S CB -0.385 62.776 63.200 -0.065 0.000 0.808 36 S HN 0.670 nan 8.310 nan 0.000 0.478 37 S N 1.876 117.529 115.700 -0.079 0.000 2.423 37 S HA 0.045 4.514 4.470 -0.002 0.000 0.231 37 S C 1.584 176.148 174.600 -0.060 0.000 1.014 37 S CA 0.688 58.850 58.200 -0.063 0.000 0.965 37 S CB -0.618 62.544 63.200 -0.062 0.000 0.785 37 S HN 0.506 nan 8.310 nan 0.000 0.495 38 L N 0.636 121.811 121.223 -0.080 0.000 2.554 38 L HA 0.332 4.671 4.340 -0.002 0.000 0.226 38 L C 0.495 177.322 176.870 -0.070 0.000 1.137 38 L CA -0.016 54.777 54.840 -0.078 0.000 0.863 38 L CB -0.492 41.499 42.059 -0.114 0.000 0.985 38 L HN 0.254 nan 8.230 nan 0.000 0.451 39 L N -0.288 120.893 121.223 -0.070 0.000 2.399 39 L HA 0.270 4.609 4.340 -0.002 0.000 0.266 39 L C 0.943 177.798 176.870 -0.025 0.000 1.114 39 L CA -0.456 54.349 54.840 -0.059 0.000 0.804 39 L CB 1.123 43.143 42.059 -0.066 0.000 1.146 39 L HN 0.090 nan 8.230 nan 0.000 0.451 40 S N -0.268 115.429 115.700 -0.005 0.000 2.600 40 S HA 0.021 4.490 4.470 -0.002 0.000 0.265 40 S C 0.966 175.575 174.600 0.014 0.000 1.325 40 S CA -0.215 57.993 58.200 0.014 0.000 1.002 40 S CB 1.143 64.365 63.200 0.036 0.000 0.921 40 S HN 0.726 nan 8.310 nan 0.000 0.554 41 S N -0.326 115.385 115.700 0.017 0.000 2.988 41 S HA 0.039 4.507 4.470 -0.002 0.000 0.237 41 S C 0.784 175.399 174.600 0.024 0.000 0.989 41 S CA 0.363 58.573 58.200 0.016 0.000 1.054 41 S CB -0.964 62.245 63.200 0.016 0.000 0.818 41 S HN 0.862 nan 8.310 nan 0.000 0.526 42 S N 0.928 116.647 115.700 0.031 0.000 2.800 42 S HA 0.196 4.665 4.470 -0.002 0.000 0.266 42 S C 0.113 174.745 174.600 0.054 0.000 1.029 42 S CA 0.067 58.294 58.200 0.045 0.000 1.302 42 S CB -0.362 62.872 63.200 0.056 0.000 1.212 42 S HN 0.570 nan 8.310 nan 0.000 0.683 43 N N 1.048 119.769 118.700 0.035 0.000 2.878 43 N HA -0.133 4.605 4.740 -0.002 0.000 0.247 43 N C -0.224 175.308 175.510 0.038 0.000 1.021 43 N CA 1.185 54.251 53.050 0.026 0.000 0.873 43 N CB -1.895 36.617 38.487 0.042 0.000 1.128 43 N HN 0.434 nan 8.380 nan 0.000 0.571 44 S N 1.544 117.278 115.700 0.058 0.000 2.474 44 S HA 0.358 4.826 4.470 -0.002 0.000 0.276 44 S C -1.292 173.275 174.600 -0.056 0.000 1.227 44 S CA -1.120 57.128 58.200 0.081 0.000 1.050 44 S CB 1.174 64.472 63.200 0.162 0.000 0.939 44 S HN 0.038 nan 8.310 nan 0.000 0.490 45 P HA 0.159 nan 4.420 nan 0.000 0.249 45 P C 0.088 177.176 177.300 -0.353 0.000 1.229 45 P CA 0.277 63.132 63.100 -0.407 0.000 0.788 45 P CB -0.103 31.222 31.700 -0.625 0.000 1.072 46 W N -0.435 120.952 121.300 0.144 0.000 2.907 46 W HA 0.298 4.957 4.660 -0.002 0.000 0.271 46 W C 1.531 178.092 176.519 0.069 0.000 1.253 46 W CA -0.345 57.059 57.345 0.099 0.000 1.501 46 W CB -0.214 29.289 29.460 0.071 0.000 1.047 46 W HN -0.059 nan 8.180 nan 0.000 0.610 62 V N 1.627 121.554 119.914 0.020 0.000 3.252 62 V HA 0.290 4.409 4.120 -0.002 0.000 0.350 62 V C 0.492 176.585 176.094 -0.002 0.000 1.329 62 V CA 0.426 62.732 62.300 0.011 0.000 1.258 62 V CB -0.329 31.503 31.823 0.015 0.000 1.208 62 V HN 0.659 nan 8.190 nan 0.000 0.462 63 S N 0.414 116.105 115.700 -0.015 0.000 2.589 63 S HA 0.382 4.851 4.470 -0.002 0.000 0.265 63 S C 0.211 174.787 174.600 -0.039 0.000 1.342 63 S CA 0.329 58.505 58.200 -0.039 0.000 1.005 63 S CB 1.246 64.397 63.200 -0.083 0.000 0.909 63 S HN 0.633 nan 8.310 nan 0.000 0.555 64 T N 1.102 115.627 114.554 -0.048 0.000 2.923 64 T HA 0.417 4.765 4.350 -0.002 0.000 0.311 64 T C -2.218 172.453 174.700 -0.048 0.000 1.183 64 T CA -1.521 60.555 62.100 -0.040 0.000 1.020 64 T CB 1.319 70.170 68.868 -0.028 0.000 1.165 64 T HN 0.165 nan 8.240 nan 0.000 0.482 65 P HA -0.139 nan 4.420 nan 0.000 0.216 65 P C 1.289 178.576 177.300 -0.022 0.000 1.153 65 P CA 1.075 64.155 63.100 -0.032 0.000 0.858 65 P CB 0.203 31.892 31.700 -0.018 0.000 0.789 66 E N -0.454 119.731 120.200 -0.024 0.000 2.418 66 E HA 0.017 4.366 4.350 -0.002 0.000 0.197 66 E C 0.623 177.212 176.600 -0.019 0.000 1.026 66 E CA 0.729 57.112 56.400 -0.029 0.000 0.862 66 E CB -0.451 29.219 29.700 -0.050 0.000 0.799 66 E HN 0.144 nan 8.360 nan 0.000 0.518 67 A N 2.402 125.211 122.820 -0.018 0.000 3.216 67 A HA 0.354 4.673 4.320 -0.002 0.000 0.321 67 A C -1.981 175.582 177.584 -0.034 0.000 1.042 67 A CA -1.113 50.923 52.037 -0.001 0.000 0.838 67 A CB 0.937 19.941 19.000 0.005 0.000 1.136 67 A HN -0.072 nan 8.150 nan 0.000 0.483 68 P HA -0.066 nan 4.420 nan 0.000 0.226 68 P C -0.261 176.742 177.300 -0.495 0.000 1.153 68 P CA 1.244 64.180 63.100 -0.272 0.000 0.777 68 P CB 0.009 31.523 31.700 -0.310 0.000 0.794 69 Y N -1.851 118.438 120.300 -0.018 0.000 2.536 69 Y HA 0.348 4.896 4.550 -0.002 0.000 0.347 69 Y C -1.387 174.509 175.900 -0.007 0.000 1.000 69 Y CA -2.644 55.438 58.100 -0.029 0.000 1.051 69 Y CB 0.677 39.078 38.460 -0.099 0.000 1.259 69 Y HN -0.343 nan 8.280 nan 0.000 0.468 70 P HA -0.224 nan 4.420 nan 0.000 0.217 70 P C 1.371 178.770 177.300 0.165 0.000 1.158 70 P CA 2.495 65.689 63.100 0.157 0.000 0.887 70 P CB 0.033 31.838 31.700 0.176 0.000 0.792 71 G N -1.618 107.247 108.800 0.108 0.000 2.679 71 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.212 71 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.212 71 G C 1.482 176.465 174.900 0.139 0.000 1.137 71 G CA 0.417 45.579 45.100 0.103 0.000 0.787 71 G HN 0.213 nan 8.290 nan 0.000 0.534 72 S N 0.390 116.164 115.700 0.123 0.000 2.371 72 S HA 0.024 4.493 4.470 -0.002 0.000 0.224 72 S C 2.241 176.928 174.600 0.145 0.000 1.029 72 S CA 0.427 58.711 58.200 0.140 0.000 0.978 72 S CB -0.176 63.093 63.200 0.114 0.000 0.833 72 S HN 0.334 nan 8.310 nan 0.000 0.466 73 L N 0.734 122.028 121.223 0.117 0.000 2.083 73 L HA -0.105 4.233 4.340 -0.002 0.000 0.209 73 L C 2.544 179.476 176.870 0.104 0.000 1.083 73 L CA 1.108 55.998 54.840 0.084 0.000 0.752 73 L CB -0.487 41.612 42.059 0.066 0.000 0.899 73 L HN 0.351 nan 8.230 nan 0.000 0.433 74 M N -1.151 118.558 119.600 0.181 0.000 2.080 74 M HA -0.301 4.178 4.480 -0.002 0.000 0.260 74 M C 2.366 178.795 176.300 0.214 0.000 1.068 74 M CA 2.053 57.483 55.300 0.216 0.000 1.109 74 M CB -0.278 32.523 32.600 0.335 0.000 1.342 74 M HN 0.178 nan 8.290 nan 0.000 0.405 75 Y N 0.494 120.878 120.300 0.140 0.000 2.220 75 Y HA -0.185 4.363 4.550 -0.002 0.000 0.291 75 Y C 2.180 178.093 175.900 0.022 0.000 1.129 75 Y CA 1.785 59.947 58.100 0.103 0.000 1.161 75 Y CB -0.300 38.233 38.460 0.122 0.000 0.997 75 Y HN 0.323 nan 8.280 nan 0.000 0.522 76 Q N -0.163 119.630 119.800 -0.012 0.000 2.079 76 Q HA -0.185 4.154 4.340 -0.002 0.000 0.200 76 Q C 2.088 177.955 176.000 -0.223 0.000 0.974 76 Q CA 1.747 57.463 55.803 -0.145 0.000 0.840 76 Q CB -0.124 28.579 28.738 -0.059 0.000 0.898 76 Q HN 0.568 nan 8.270 nan 0.000 0.430 77 E N 0.359 120.446 120.200 -0.189 0.000 2.110 77 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 77 E C 2.137 178.426 176.600 -0.520 0.000 0.988 77 E CA 1.347 57.535 56.400 -0.353 0.000 0.804 77 E CB -0.027 29.530 29.700 -0.239 0.000 0.745 77 E HN 0.294 nan 8.360 nan 0.000 0.458 78 S N 0.233 115.783 115.700 -0.251 0.000 2.419 78 S HA -0.164 4.305 4.470 -0.002 0.000 0.233 78 S C 1.972 176.502 174.600 -0.117 0.000 1.016 78 S CA 0.952 59.090 58.200 -0.104 0.000 0.974 78 S CB -0.129 63.052 63.200 -0.032 0.000 0.786 78 S HN 0.170 nan 8.310 nan 0.000 0.492 79 M N 0.064 119.499 119.600 -0.275 0.000 2.287 79 M HA 0.142 4.621 4.480 -0.002 0.000 0.266 79 M C 2.214 178.445 176.300 -0.115 0.000 1.079 79 M CA 0.859 56.029 55.300 -0.217 0.000 1.146 79 M CB -0.473 31.910 32.600 -0.361 0.000 1.374 79 M HN 0.412 nan 8.290 nan 0.000 0.435 80 L N 0.383 121.486 121.223 -0.199 0.000 1.990 80 L HA -0.260 4.079 4.340 -0.002 0.000 0.213 80 L C 2.164 179.047 176.870 0.022 0.000 1.072 80 L CA 2.194 56.944 54.840 -0.149 0.000 0.755 80 L CB -0.745 41.156 42.059 -0.262 0.000 0.889 80 L HN 0.318 nan 8.230 nan 0.000 0.432 81 H N -1.732 117.374 119.070 0.061 0.000 2.387 81 H HA -0.108 4.447 4.556 -0.002 0.000 0.299 81 H C 2.288 177.712 175.328 0.160 0.000 1.090 81 H CA 0.985 57.082 56.048 0.082 0.000 1.332 81 H CB -0.073 29.770 29.762 0.136 0.000 1.386 81 H HN 0.378 nan 8.280 nan 0.000 0.516 82 S N 0.324 116.300 115.700 0.461 0.000 2.382 82 S HA -0.159 4.309 4.470 -0.002 0.000 0.228 82 S C 2.415 177.284 174.600 0.448 0.000 1.027 82 S CA 0.774 59.279 58.200 0.509 0.000 0.991 82 S CB -0.173 63.235 63.200 0.347 0.000 0.823 82 S HN 0.540 nan 8.310 nan 0.000 0.469 83 A N 1.436 124.482 122.820 0.378 0.000 1.854 83 A HA -0.088 4.231 4.320 -0.002 0.000 0.214 83 A C 2.432 180.355 177.584 0.565 0.000 1.192 83 A CA 2.029 54.353 52.037 0.480 0.000 0.611 83 A CB -1.176 18.066 19.000 0.402 0.000 0.832 83 A HN 0.610 nan 8.150 nan 0.000 0.442 84 T N -4.049 110.742 114.554 0.394 0.000 3.051 84 T HA 0.133 4.482 4.350 -0.002 0.000 0.255 84 T C 1.542 176.454 174.700 0.353 0.000 1.085 84 T CA 1.122 63.462 62.100 0.401 0.000 1.109 84 T CB 0.101 69.035 68.868 0.110 0.000 0.921 84 T HN 0.019 nan 8.240 nan 0.000 0.488 85 V N 2.178 122.222 119.914 0.215 0.000 2.521 85 V HA 0.146 4.265 4.120 -0.002 0.000 0.239 85 V C -0.699 175.322 176.094 -0.121 0.000 1.053 85 V CA 0.451 62.762 62.300 0.019 0.000 1.073 85 V CB -0.490 31.314 31.823 -0.031 0.000 0.746 85 V HN 0.309 nan 8.190 nan 0.000 0.476 86 P HA -0.054 nan 4.420 nan 0.000 0.223 86 P C 1.617 178.852 177.300 -0.108 0.000 1.151 86 P CA 1.501 64.636 63.100 0.058 0.000 0.787 86 P CB -0.259 31.613 31.700 0.286 0.000 0.788 87 G N -0.186 108.345 108.800 -0.450 0.000 2.448 87 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.219 87 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.219 87 G C 1.266 175.917 174.900 -0.413 0.000 1.127 87 G CA 0.511 45.142 45.100 -0.782 0.000 0.766 87 G HN 0.238 nan 8.290 nan 0.000 0.552 88 V N 0.805 120.398 119.914 -0.535 0.000 3.647 88 V HA 0.203 4.322 4.120 -0.002 0.000 0.279 88 V C 2.087 178.063 176.094 -0.196 0.000 1.314 88 V CA 0.185 62.219 62.300 -0.444 0.000 1.125 88 V CB 0.112 31.530 31.823 -0.675 0.000 0.907 88 V HN 0.324 nan 8.190 nan 0.000 0.434 89 L N 0.631 121.767 121.223 -0.144 0.000 2.610 89 L HA 0.139 4.478 4.340 -0.002 0.000 0.232 89 L C 2.449 179.360 176.870 0.070 0.000 1.149 89 L CA 0.892 55.740 54.840 0.014 0.000 0.872 89 L CB -0.809 41.259 42.059 0.016 0.000 0.992 89 L HN 0.437 nan 8.230 nan 0.000 0.447 90 G N 0.062 108.889 108.800 0.045 0.000 2.450 90 G HA2 0.071 4.030 3.960 -0.002 0.000 0.220 90 G HA3 0.071 4.030 3.960 -0.002 0.000 0.220 90 G C 0.686 175.603 174.900 0.029 0.000 1.130 90 G CA 1.000 46.127 45.100 0.046 0.000 0.760 90 G HN 0.557 nan 8.290 nan 0.000 0.557 91 S N -2.308 113.408 115.700 0.028 0.000 2.653 91 S HA 0.504 4.973 4.470 -0.002 0.000 0.264 91 S C 0.619 175.179 174.600 -0.067 0.000 1.070 91 S CA 0.375 58.554 58.200 -0.036 0.000 0.885 91 S CB -0.195 nan 63.200 nan 0.000 1.157 91 S HN 0.070 nan 8.310 nan 0.000 0.479 92 R N -0.202 120.220 120.500 -0.130 0.000 2.193 92 R HA -0.045 4.294 4.340 -0.002 0.000 0.229 92 R C 0.011 176.360 176.300 0.082 0.000 1.110 92 R CA 1.883 57.905 56.100 -0.130 0.000 0.988 92 R CB -0.118 30.106 30.300 -0.126 0.000 0.871 92 R HN 0.659 nan 8.270 nan 0.000 0.458 93 D N -0.801 119.613 120.400 0.022 0.000 2.392 93 D HA 0.091 4.730 4.640 -0.002 0.000 0.206 93 D C 1.420 177.643 176.300 -0.128 0.000 1.046 93 D CA 0.581 54.539 54.000 -0.071 0.000 0.865 93 D CB 0.231 40.980 40.800 -0.085 0.000 0.969 93 D HN 0.183 nan 8.370 nan 0.000 0.509 94 A N 1.827 124.658 122.820 0.018 0.000 1.986 94 A HA -0.182 4.136 4.320 -0.002 0.000 0.220 94 A C 1.973 179.610 177.584 0.088 0.000 1.171 94 A CA 1.366 53.434 52.037 0.052 0.000 0.640 94 A CB -1.267 17.774 19.000 0.069 0.000 0.811 94 A HN 0.585 nan 8.150 nan 0.000 0.451 95 W N 0.149 121.479 121.300 0.049 0.000 2.525 95 W HA -0.057 4.602 4.660 -0.002 0.000 0.259 95 W C 1.510 178.140 176.519 0.185 0.000 1.253 95 W CA 0.702 58.108 57.345 0.101 0.000 1.262 95 W CB -0.567 28.911 29.460 0.030 0.000 1.122 95 W HN 0.312 nan 8.180 nan 0.000 0.607 96 R N 0.936 121.015 120.500 -0.702 0.000 2.075 96 R HA -0.054 4.285 4.340 -0.002 0.000 0.226 96 R C 2.227 178.374 176.300 -0.255 0.000 1.114 96 R CA 2.303 57.898 56.100 -0.842 0.000 0.972 96 R CB -0.626 29.160 30.300 -0.857 0.000 0.869 96 R HN 0.235 nan 8.270 nan 0.000 0.437 97 T N -2.874 111.623 114.554 -0.096 0.000 3.040 97 T HA 0.145 4.493 4.350 -0.002 0.000 0.266 97 T C 0.269 175.022 174.700 0.088 0.000 1.005 97 T CA -0.563 61.531 62.100 -0.009 0.000 0.906 97 T CB -0.110 68.737 68.868 -0.036 0.000 1.082 97 T HN 0.073 nan 8.240 nan 0.000 0.531 98 F N 4.437 124.399 119.950 0.020 0.000 2.578 98 F HA 0.361 4.887 4.527 -0.002 0.000 0.381 98 F C 0.122 175.963 175.800 0.067 0.000 1.069 98 F CA -0.489 57.552 58.000 0.067 0.000 1.231 98 F CB 0.204 39.279 39.000 0.123 0.000 1.086 98 F HN 0.407 nan 8.300 nan 0.000 0.564 99 N N 4.981 123.366 118.700 -0.525 0.000 2.249 99 N HA 0.595 5.334 4.740 -0.002 0.000 0.296 99 N C -2.230 172.860 175.510 -0.701 0.000 1.051 99 N CA -0.953 51.813 53.050 -0.474 0.000 0.815 99 N CB 2.285 40.651 38.487 -0.202 0.000 1.487 99 N HN 0.498 nan 8.380 nan 0.000 0.475 100 V N 3.268 122.884 119.914 -0.496 0.000 2.760 100 V HA 0.524 4.643 4.120 -0.002 0.000 0.309 100 V C -0.855 175.166 176.094 -0.121 0.000 1.077 100 V CA -0.570 61.531 62.300 -0.331 0.000 0.910 100 V CB 0.361 32.133 31.823 -0.085 0.000 1.008 100 V HN 0.825 nan 8.190 nan 0.000 0.424 101 F N 4.618 124.497 119.950 -0.119 0.000 3.090 101 F HA -0.170 4.356 4.527 -0.002 0.000 0.282 101 F C 1.595 177.337 175.800 -0.097 0.000 0.923 101 F CA 1.562 59.501 58.000 -0.102 0.000 0.977 101 F CB -1.513 37.430 39.000 -0.095 0.000 0.954 101 F HN 1.252 nan 8.300 nan 0.000 0.695 102 G N -0.271 108.517 108.800 -0.020 0.000 2.179 102 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.257 102 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.257 102 G C -0.002 174.883 174.900 -0.024 0.000 1.010 102 G CA 0.314 45.398 45.100 -0.026 0.000 0.736 102 G HN 0.566 nan 8.290 nan 0.000 0.513 103 L N -0.104 121.098 121.223 -0.036 0.000 2.342 103 L HA 0.804 5.143 4.340 -0.002 0.000 0.271 103 L C 0.098 176.927 176.870 -0.067 0.000 1.008 103 L CA -0.810 53.996 54.840 -0.056 0.000 0.818 103 L CB 2.362 44.377 42.059 -0.073 0.000 1.296 103 L HN 0.122 nan 8.230 nan 0.000 0.427 104 S N 0.003 115.675 115.700 -0.046 0.000 2.564 104 S HA 0.489 4.957 4.470 -0.002 0.000 0.274 104 S C -1.477 173.162 174.600 0.066 0.000 1.124 104 S CA -0.663 57.576 58.200 0.064 0.000 0.869 104 S CB 1.410 64.694 63.200 0.141 0.000 1.105 104 S HN 0.376 nan 8.310 nan 0.000 0.472 105 W N 1.661 123.144 121.300 0.306 0.000 2.218 105 W HA 0.197 4.856 4.660 -0.002 0.000 0.326 105 W C 1.853 178.541 176.519 0.282 0.000 1.276 105 W CA -0.245 57.248 57.345 0.247 0.000 1.210 105 W CB 0.536 30.129 29.460 0.222 0.000 1.143 105 W HN 0.873 nan 8.180 nan 0.000 0.563 106 T N -1.772 113.047 114.554 0.442 0.000 2.896 106 T HA -0.064 4.285 4.350 -0.002 0.000 0.263 106 T C 0.010 174.786 174.700 0.128 0.000 1.050 106 T CA 1.339 63.608 62.100 0.282 0.000 1.140 106 T CB -0.254 68.725 68.868 0.184 0.000 0.877 106 T HN 0.508 nan 8.240 nan 0.000 0.457 107 D N -0.897 119.318 120.400 -0.309 0.000 2.812 107 D HA 0.287 4.926 4.640 -0.002 0.000 0.318 107 D C 0.693 175.937 176.300 -1.759 0.000 1.234 107 D CA -0.866 52.404 54.000 -1.217 0.000 0.989 107 D CB 0.501 40.976 40.800 -0.542 0.000 1.442 107 D HN -0.012 nan 8.370 nan 0.000 0.537 108 E N -0.617 118.511 120.200 -1.787 0.000 2.152 108 E HA -0.035 4.313 4.350 -0.002 0.000 0.192 108 E C 1.816 178.057 176.600 -0.598 0.000 0.983 108 E CA 0.931 56.570 56.400 -1.269 0.000 0.818 108 E CB -0.442 28.850 29.700 -0.679 0.000 0.758 108 E HN 0.587 nan 8.360 nan 0.000 0.467 109 G N 0.809 109.332 108.800 -0.462 0.000 2.776 109 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.209 109 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.209 109 G C 0.783 175.532 174.900 -0.251 0.000 1.145 109 G CA 0.121 45.065 45.100 -0.259 0.000 0.791 109 G HN 0.374 nan 8.290 nan 0.000 0.530 110 L N 0.472 121.461 121.223 -0.390 0.000 3.660 110 L HA -0.230 4.109 4.340 -0.002 0.000 0.440 110 L C 1.854 178.823 176.870 0.166 0.000 1.262 110 L CA 0.142 54.716 54.840 -0.444 0.000 0.837 110 L CB -2.220 39.180 42.059 -1.100 0.000 1.689 110 L HN 0.323 nan 8.230 nan 0.000 0.890 111 S N -0.874 114.933 115.700 0.179 0.000 2.414 111 S HA 0.199 4.668 4.470 -0.002 0.000 0.227 111 S C 0.936 175.768 174.600 0.386 0.000 1.022 111 S CA 1.066 59.426 58.200 0.267 0.000 0.958 111 S CB 0.279 63.547 63.200 0.113 0.000 0.797 111 S HN 0.741 nan 8.310 nan 0.000 0.493 112 G N -0.220 108.815 108.800 0.391 0.000 2.725 112 G HA2 0.638 4.597 3.960 -0.002 0.000 0.288 112 G HA3 0.638 4.597 3.960 -0.002 0.000 0.288 112 G C -2.009 173.073 174.900 0.304 0.000 1.399 112 G CA -0.737 44.543 45.100 0.300 0.000 0.859 112 G HN 0.281 nan 8.290 nan 0.000 0.479 113 L N 0.670 121.934 121.223 0.069 0.000 2.381 113 L HA 0.688 5.027 4.340 -0.002 0.000 0.274 113 L C 0.151 176.997 176.870 -0.040 0.000 0.988 113 L CA -0.932 53.846 54.840 -0.104 0.000 0.824 113 L CB 2.013 43.866 42.059 -0.344 0.000 1.263 113 L HN 0.596 nan 8.230 nan 0.000 0.410 114 V N -0.021 119.887 119.914 -0.010 0.000 3.145 114 V HA 0.871 4.990 4.120 -0.002 0.000 0.311 114 V C -0.076 176.017 176.094 -0.001 0.000 1.238 114 V CA -1.010 61.297 62.300 0.012 0.000 1.066 114 V CB 1.759 33.616 31.823 0.056 0.000 1.144 114 V HN 0.714 nan 8.190 nan 0.000 0.465 115 A N 0.792 123.618 122.820 0.009 0.000 2.302 115 A HA 0.806 5.125 4.320 -0.002 0.000 0.295 115 A C 0.605 178.195 177.584 0.011 0.000 1.235 115 A CA 0.162 52.200 52.037 0.002 0.000 0.876 115 A CB -0.456 18.545 19.000 0.001 0.000 1.133 115 A HN 2.059 nan 8.150 nan 0.000 0.533 116 A N 3.629 126.448 122.820 -0.001 0.000 2.520 116 A HA 0.406 4.725 4.320 -0.002 0.000 0.235 116 A C 0.676 178.257 177.584 -0.005 0.000 1.065 116 A CA -0.273 51.764 52.037 -0.000 0.000 0.764 116 A CB 0.096 19.078 19.000 -0.030 0.000 1.002 116 A HN 0.847 nan 8.150 nan 0.000 0.502 117 Q N 0.992 120.791 119.800 -0.001 0.000 2.432 117 Q HA 0.288 4.627 4.340 -0.002 0.000 0.264 117 Q C -0.941 175.049 176.000 -0.017 0.000 1.035 117 Q CA 0.109 55.910 55.803 -0.005 0.000 0.908 117 Q CB 0.433 29.170 28.738 -0.002 0.000 1.280 117 Q HN 0.788 nan 8.270 nan 0.000 0.455 118 D N -0.012 120.379 120.400 -0.015 0.000 2.879 118 D HA 0.463 5.102 4.640 -0.002 0.000 0.236 118 D C -2.391 173.899 176.300 -0.017 0.000 1.171 118 D CA -1.927 52.060 54.000 -0.021 0.000 0.868 118 D CB 0.109 40.895 40.800 -0.023 0.000 1.598 118 D HN 0.128 nan 8.370 nan 0.000 0.497 119 P HA 0.205 nan 4.420 nan 0.000 0.264 119 P C -2.403 174.880 177.300 -0.029 0.000 1.183 119 P CA -0.604 62.480 63.100 -0.026 0.000 0.763 119 P CB -0.336 31.350 31.700 -0.023 0.000 0.807 120 P HA -0.008 nan 4.420 nan 0.000 0.265 120 P C -1.884 175.395 177.300 -0.036 0.000 1.193 120 P CA -0.913 62.161 63.100 -0.043 0.000 0.765 120 P CB 0.094 31.754 31.700 -0.066 0.000 0.823 121 P HA -0.160 nan 4.420 nan 0.000 0.215 121 P C 0.468 177.752 177.300 -0.027 0.000 1.163 121 P CA 1.966 65.050 63.100 -0.027 0.000 0.894 121 P CB -0.007 31.677 31.700 -0.026 0.000 0.791 122 A N -1.776 121.026 122.820 -0.030 0.000 2.387 122 A HA 0.720 5.039 4.320 -0.002 0.000 0.298 122 A C -0.518 177.041 177.584 -0.041 0.000 1.165 122 A CA -0.364 51.659 52.037 -0.025 0.000 0.814 122 A CB 0.642 19.638 19.000 -0.006 0.000 1.357 122 A HN 0.145 nan 8.150 nan 0.000 0.443 123 A N 1.670 124.472 122.820 -0.030 0.000 2.565 123 A HA 0.482 4.801 4.320 -0.002 0.000 0.237 123 A C -2.032 175.507 177.584 -0.074 0.000 1.053 123 A CA -0.542 51.469 52.037 -0.044 0.000 0.755 123 A CB -0.850 18.138 19.000 -0.021 0.000 0.980 123 A HN 0.561 nan 8.150 nan 0.000 0.506 124 P HA -0.032 nan 4.420 nan 0.000 0.265 124 P C -0.580 176.624 177.300 -0.161 0.000 1.193 124 P CA 0.274 63.262 63.100 -0.186 0.000 0.765 124 P CB 0.199 31.771 31.700 -0.214 0.000 0.823 125 Y N 3.592 123.671 120.300 -0.367 0.000 2.511 125 Y HA 0.027 4.576 4.550 -0.002 0.000 0.332 125 Y C 0.662 176.441 175.900 -0.201 0.000 1.177 125 Y CA -0.014 57.936 58.100 -0.250 0.000 1.422 125 Y CB 0.529 38.799 38.460 -0.316 0.000 1.271 125 Y HN 0.383 nan 8.280 nan 0.000 0.550 126 Q N 7.136 126.462 119.800 -0.791 0.000 2.394 126 Q HA 0.525 4.864 4.340 -0.002 0.000 0.259 126 Q C -2.879 172.606 176.000 -0.858 0.000 1.021 126 Q CA -2.273 53.120 55.803 -0.684 0.000 0.805 126 Q CB 1.200 29.752 28.738 -0.311 0.000 1.226 126 Q HN 0.413 nan 8.270 nan 0.000 0.476 127 P HA -0.011 nan 4.420 nan 0.000 0.264 127 P C -0.904 176.512 177.300 0.193 0.000 1.179 127 P CA 0.335 63.359 63.100 -0.127 0.000 0.763 127 P CB 0.679 32.468 31.700 0.149 0.000 0.806 128 A N 2.317 125.259 122.820 0.203 0.000 2.269 128 A HA 0.587 4.906 4.320 -0.002 0.000 0.319 128 A C 0.032 177.550 177.584 -0.111 0.000 1.110 128 A CA -0.324 51.762 52.037 0.082 0.000 0.847 128 A CB 0.749 19.779 19.000 0.050 0.000 1.161 128 A HN 0.432 nan 8.150 nan 0.000 0.497 129 S N 0.122 115.513 115.700 -0.515 0.000 2.451 129 S HA 0.500 4.969 4.470 -0.002 0.000 0.301 129 S C 0.362 174.617 174.600 -0.575 0.000 1.116 129 S CA 0.463 58.138 58.200 -0.875 0.000 1.093 129 S CB 0.464 62.843 63.200 -1.369 0.000 1.017 129 S HN 2.456 nan 8.310 nan 0.000 0.482 130 A N 2.828 125.233 122.820 -0.692 0.000 2.610 130 A HA -0.171 4.147 4.320 -0.002 0.000 0.299 130 A C 0.061 177.038 177.584 -1.011 0.000 1.487 130 A CA 1.202 52.603 52.037 -1.059 0.000 0.743 130 A CB -2.108 16.631 19.000 -0.434 0.000 1.070 130 A HN 0.845 nan 8.150 nan 0.000 0.439 131 Q N -1.135 118.127 119.800 -0.897 0.000 2.309 131 Q HA 0.634 4.973 4.340 -0.002 0.000 0.264 131 Q C -0.508 175.290 176.000 -0.336 0.000 1.008 131 Q CA -0.391 55.177 55.803 -0.392 0.000 0.853 131 Q CB 0.744 29.408 28.738 -0.123 0.000 1.314 131 Q HN 0.541 nan 8.270 nan 0.000 0.448 132 W N 1.889 123.261 121.300 0.120 0.000 2.316 132 W HA 0.483 5.142 4.660 -0.002 0.000 0.311 132 W C -0.121 176.512 176.519 0.189 0.000 1.217 132 W CA -0.348 57.108 57.345 0.186 0.000 1.199 132 W CB 1.314 30.878 29.460 0.174 0.000 1.202 132 W HN 0.434 nan 8.180 nan 0.000 0.528 133 S N 1.659 117.685 115.700 0.543 0.000 2.568 133 S HA 0.178 4.647 4.470 -0.002 0.000 0.302 133 S C -1.145 173.708 174.600 0.421 0.000 1.082 133 S CA -0.827 57.633 58.200 0.434 0.000 1.009 133 S CB 1.616 65.068 63.200 0.420 0.000 1.069 133 S HN 0.403 nan 8.310 nan 0.000 0.500 134 D N 1.437 122.019 120.400 0.303 0.000 2.359 134 D HA 0.279 4.918 4.640 -0.002 0.000 0.230 134 D C 0.730 177.195 176.300 0.274 0.000 1.118 134 D CA -0.469 53.691 54.000 0.267 0.000 0.844 134 D CB 0.599 41.508 40.800 0.182 0.000 1.059 134 D HN 0.397 nan 8.370 nan 0.000 0.493 135 L N 3.381 124.805 121.223 0.335 0.000 2.291 135 L HA -0.044 4.295 4.340 -0.002 0.000 0.214 135 L C 2.188 179.266 176.870 0.347 0.000 1.120 135 L CA 0.400 55.468 54.840 0.381 0.000 0.799 135 L CB -0.112 42.198 42.059 0.418 0.000 0.925 135 L HN 0.470 nan 8.230 nan 0.000 0.446 136 L N -0.273 121.082 121.223 0.220 0.000 2.362 136 L HA -0.159 4.180 4.340 -0.002 0.000 0.219 136 L C 2.144 179.088 176.870 0.123 0.000 1.134 136 L CA 0.506 55.429 54.840 0.139 0.000 0.807 136 L CB -0.605 41.504 42.059 0.083 0.000 0.927 136 L HN 0.405 nan 8.230 nan 0.000 0.447 137 N N -0.239 118.544 118.700 0.139 0.000 2.272 137 N HA -0.208 4.530 4.740 -0.002 0.000 0.185 137 N C 0.447 176.006 175.510 0.081 0.000 1.014 137 N CA 0.782 53.892 53.050 0.099 0.000 0.870 137 N CB -0.056 38.498 38.487 0.112 0.000 0.975 137 N HN 0.182 nan 8.380 nan 0.000 0.433 138 Y N 2.258 122.507 120.300 -0.085 0.000 2.537 138 Y HA 0.106 4.654 4.550 -0.002 0.000 0.339 138 Y C -1.534 174.236 175.900 -0.216 0.000 1.066 138 Y CA -2.265 55.674 58.100 -0.268 0.000 1.357 138 Y CB 1.008 39.087 38.460 -0.634 0.000 1.175 138 Y HN 0.034 nan 8.280 nan 0.000 0.525 139 P HA -0.202 nan 4.420 nan 0.000 0.216 139 P C 1.454 178.534 177.300 -0.367 0.000 1.150 139 P CA 1.791 64.674 63.100 -0.362 0.000 0.837 139 P CB 0.166 31.660 31.700 -0.344 0.000 0.786 140 R N -1.392 118.733 120.500 -0.625 0.000 2.120 140 R HA -0.127 4.212 4.340 -0.002 0.000 0.234 140 R C 1.782 178.031 176.300 -0.085 0.000 1.123 140 R CA 1.306 57.174 56.100 -0.388 0.000 0.975 140 R CB -0.388 29.611 30.300 -0.502 0.000 0.866 140 R HN 0.201 nan 8.270 nan 0.000 0.446 141 W N -0.383 120.822 121.300 -0.158 0.000 2.576 141 W HA 0.200 4.859 4.660 -0.002 0.000 0.270 141 W C 2.075 178.479 176.519 -0.192 0.000 1.255 141 W CA 0.392 57.644 57.345 -0.155 0.000 1.314 141 W CB -0.709 28.682 29.460 -0.115 0.000 1.101 141 W HN 0.202 nan 8.180 nan 0.000 0.595 142 A N 0.381 123.228 122.820 0.046 0.000 2.014 142 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 142 A C 1.895 179.451 177.584 -0.046 0.000 1.163 142 A CA 1.412 53.436 52.037 -0.022 0.000 0.652 142 A CB -0.567 18.416 19.000 -0.027 0.000 0.808 142 A HN 0.264 nan 8.150 nan 0.000 0.449 143 N N -0.514 118.154 118.700 -0.054 0.000 2.387 143 N HA 0.006 4.745 4.740 -0.002 0.000 0.176 143 N C 0.038 175.515 175.510 -0.055 0.000 1.022 143 N CA 0.413 53.427 53.050 -0.060 0.000 0.883 143 N CB 0.175 38.615 38.487 -0.077 0.000 1.019 143 N HN 0.415 nan 8.380 nan 0.000 0.435 144 R N 1.254 121.728 120.500 -0.042 0.000 2.423 144 R HA 0.308 4.647 4.340 -0.002 0.000 0.293 144 R C 0.722 176.979 176.300 -0.072 0.000 1.196 144 R CA -0.255 55.816 56.100 -0.049 0.000 1.262 144 R CB 1.312 31.588 30.300 -0.040 0.000 1.116 144 R HN 0.049 nan 8.270 nan 0.000 0.566 145 R N 1.507 121.940 120.500 -0.112 0.000 2.096 145 R HA -0.104 4.235 4.340 -0.002 0.000 0.235 145 R C 1.559 177.726 176.300 -0.222 0.000 1.127 145 R CA 1.449 57.431 56.100 -0.198 0.000 0.968 145 R CB 0.153 30.348 30.300 -0.175 0.000 0.861 145 R HN 0.360 nan 8.270 nan 0.000 0.440 146 R N 0.704 121.113 120.500 -0.151 0.000 2.153 146 R HA -0.214 4.125 4.340 -0.002 0.000 0.252 146 R C 1.960 178.143 176.300 -0.194 0.000 1.158 146 R CA 1.880 57.895 56.100 -0.141 0.000 0.975 146 R CB -0.524 29.717 30.300 -0.098 0.000 0.871 146 R HN 0.537 nan 8.270 nan 0.000 0.450 147 E N 0.167 120.243 120.200 -0.205 0.000 2.072 147 E HA -0.140 4.209 4.350 -0.002 0.000 0.191 147 E C 1.946 178.198 176.600 -0.580 0.000 0.985 147 E CA 0.622 56.863 56.400 -0.265 0.000 0.801 147 E CB -0.084 29.570 29.700 -0.077 0.000 0.750 147 E HN 0.030 nan 8.360 nan 0.000 0.452 148 L N 1.409 122.167 121.223 -0.776 0.000 2.027 148 L HA -0.177 4.162 4.340 -0.002 0.000 0.206 148 L C 2.033 178.538 176.870 -0.609 0.000 1.074 148 L CA 1.765 55.931 54.840 -1.124 0.000 0.745 148 L CB -0.550 40.855 42.059 -1.090 0.000 0.898 148 L HN 0.044 nan 8.230 nan 0.000 0.433 149 Q N -1.343 118.224 119.800 -0.388 0.000 2.181 149 Q HA -0.214 4.125 4.340 -0.002 0.000 0.205 149 Q C 2.401 178.336 176.000 -0.109 0.000 0.980 149 Q CA 1.759 57.480 55.803 -0.136 0.000 0.862 149 Q CB -0.221 28.467 28.738 -0.083 0.000 0.905 149 Q HN 0.533 nan 8.270 nan 0.000 0.429 150 S N -0.040 115.539 115.700 -0.203 0.000 2.406 150 S HA -0.071 4.397 4.470 -0.002 0.000 0.228 150 S C 1.335 175.829 174.600 -0.178 0.000 1.020 150 S CA 0.970 59.072 58.200 -0.165 0.000 0.965 150 S CB 0.151 63.243 63.200 -0.180 0.000 0.798 150 S HN 0.258 nan 8.310 nan 0.000 0.488 151 K N -1.036 119.167 120.400 -0.329 0.000 2.361 151 K HA 0.127 4.446 4.320 -0.002 0.000 0.194 151 K C 1.354 177.874 176.600 -0.134 0.000 1.032 151 K CA 0.091 56.182 56.287 -0.327 0.000 1.048 151 K CB -0.054 31.912 32.500 -0.890 0.000 0.842 151 K HN 0.343 nan 8.250 nan 0.000 0.526 152 Y N 2.566 122.742 120.300 -0.207 0.000 2.293 152 Y HA -0.074 4.475 4.550 -0.002 0.000 0.291 152 Y C -1.164 174.759 175.900 0.038 0.000 1.137 152 Y CA 0.682 58.745 58.100 -0.062 0.000 1.202 152 Y CB -0.563 37.923 38.460 0.044 0.000 0.990 152 Y HN -0.006 nan 8.280 nan 0.000 0.537 153 P HA -0.210 nan 4.420 nan 0.000 0.216 153 P C 1.782 179.074 177.300 -0.013 0.000 1.150 153 P CA 1.723 64.808 63.100 -0.024 0.000 0.837 153 P CB -0.083 31.631 31.700 0.023 0.000 0.786 154 L N -1.632 119.613 121.223 0.036 0.000 2.027 154 L HA -0.151 4.188 4.340 -0.002 0.000 0.206 154 L C 2.375 179.311 176.870 0.111 0.000 1.074 154 L CA 1.387 56.301 54.840 0.123 0.000 0.745 154 L CB -0.814 41.364 42.059 0.197 0.000 0.898 154 L HN -0.042 nan 8.230 nan 0.000 0.433 155 L N -1.054 120.151 121.223 -0.030 0.000 2.156 155 L HA -0.198 4.141 4.340 -0.002 0.000 0.208 155 L C 2.423 179.370 176.870 0.128 0.000 1.095 155 L CA 0.502 55.385 54.840 0.072 0.000 0.770 155 L CB -0.412 41.654 42.059 0.012 0.000 0.914 155 L HN 0.234 nan 8.230 nan 0.000 0.439 156 L N 0.245 121.330 121.223 -0.231 0.000 2.156 156 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 156 L C 2.712 179.616 176.870 0.056 0.000 1.095 156 L CA 1.447 56.175 54.840 -0.187 0.000 0.770 156 L CB -0.505 41.283 42.059 -0.453 0.000 0.914 156 L HN 0.133 nan 8.230 nan 0.000 0.439 157 R N -0.901 119.644 120.500 0.075 0.000 2.070 157 R HA -0.151 4.188 4.340 -0.002 0.000 0.233 157 R C 2.226 178.623 176.300 0.162 0.000 1.137 157 R CA 1.866 58.040 56.100 0.124 0.000 0.945 157 R CB -0.488 29.887 30.300 0.126 0.000 0.845 157 R HN 0.386 nan 8.270 nan 0.000 0.430 158 S N -0.090 115.751 115.700 0.236 0.000 2.368 158 S HA -0.198 4.271 4.470 -0.002 0.000 0.226 158 S C 1.907 176.583 174.600 0.126 0.000 1.044 158 S CA 2.003 60.355 58.200 0.253 0.000 1.062 158 S CB -0.587 62.931 63.200 0.531 0.000 0.931 158 S HN 0.530 nan 8.310 nan 0.000 0.440 159 T N 2.356 116.967 114.554 0.096 0.000 2.699 159 T HA -0.073 4.275 4.350 -0.002 0.000 0.268 159 T C 1.676 176.450 174.700 0.124 0.000 1.036 159 T CA 1.175 63.272 62.100 -0.005 0.000 1.147 159 T CB -0.368 68.562 68.868 0.104 0.000 0.862 159 T HN 0.250 nan 8.240 nan 0.000 0.446 160 L N -0.228 121.109 121.223 0.191 0.000 2.162 160 L HA 0.091 4.430 4.340 -0.002 0.000 0.205 160 L C 2.316 179.235 176.870 0.082 0.000 1.086 160 L CA 0.417 55.383 54.840 0.210 0.000 0.778 160 L CB -0.300 41.884 42.059 0.209 0.000 0.928 160 L HN 0.220 nan 8.230 nan 0.000 0.446 161 L N -0.834 120.433 121.223 0.075 0.000 2.056 161 L HA -0.130 4.208 4.340 -0.002 0.000 0.207 161 L C 2.527 179.439 176.870 0.071 0.000 1.078 161 L CA 1.704 56.569 54.840 0.041 0.000 0.749 161 L CB -0.377 41.736 42.059 0.089 0.000 0.901 161 L HN 0.040 nan 8.230 nan 0.000 0.433 162 S N -0.343 115.419 115.700 0.104 0.000 2.383 162 S HA -0.077 4.392 4.470 -0.002 0.000 0.227 162 S C 1.982 176.685 174.600 0.172 0.000 1.026 162 S CA 1.024 59.310 58.200 0.143 0.000 0.981 162 S CB -0.438 62.821 63.200 0.099 0.000 0.818 162 S HN 0.643 nan 8.310 nan 0.000 0.472 163 A N 0.764 123.628 122.820 0.073 0.000 2.119 163 A HA 0.215 4.534 4.320 -0.002 0.000 0.216 163 A C 0.900 178.424 177.584 -0.099 0.000 1.152 163 A CA 0.585 52.561 52.037 -0.102 0.000 0.708 163 A CB -0.207 18.754 19.000 -0.066 0.000 0.805 163 A HN 0.304 nan 8.150 nan 0.000 0.460 164 M N 0.016 119.561 119.600 -0.092 0.000 2.228 164 M HA 0.167 4.646 4.480 -0.002 0.000 0.351 164 M C 1.320 177.569 176.300 -0.084 0.000 1.233 164 M CA -0.041 55.173 55.300 -0.143 0.000 1.129 164 M CB 0.554 33.054 32.600 -0.167 0.000 1.604 164 M HN 0.439 nan 8.290 nan 0.000 0.457 165 R N 1.932 122.375 120.500 -0.095 0.000 2.092 165 R HA -0.006 4.332 4.340 -0.002 0.000 0.231 165 R C 0.826 177.101 176.300 -0.043 0.000 1.119 165 R CA 1.673 57.741 56.100 -0.054 0.000 0.970 165 R CB 0.350 30.616 30.300 -0.056 0.000 0.864 165 R HN 0.814 nan 8.270 nan 0.000 0.440 166 A N -0.601 122.167 122.820 -0.087 0.000 3.324 166 A HA 0.545 4.864 4.320 -0.002 0.000 0.196 166 A C 0.379 177.839 177.584 -0.208 0.000 1.506 166 A CA 0.031 52.014 52.037 -0.089 0.000 1.687 166 A CB -0.708 18.223 19.000 -0.114 0.000 1.570 166 A HN 0.358 nan 8.150 nan 0.000 0.533 167 G N -0.088 108.456 108.800 -0.427 0.000 2.616 167 G HA2 0.505 4.464 3.960 -0.002 0.000 0.268 167 G HA3 0.505 4.464 3.960 -0.002 0.000 0.268 167 G C -2.562 171.917 174.900 -0.701 0.000 1.213 167 G CA -1.021 43.396 45.100 -1.139 0.000 0.926 167 G HN 0.445 nan 8.290 nan 0.000 0.523 168 P HA 0.163 nan 4.420 nan 0.000 0.272 168 P C -0.135 177.204 177.300 0.064 0.000 1.223 168 P CA -0.256 62.684 63.100 -0.267 0.000 0.784 168 P CB 1.469 33.025 31.700 -0.239 0.000 0.923 169 V N 3.749 123.692 119.914 0.047 0.000 2.686 169 V HA 0.304 4.423 4.120 -0.002 0.000 0.295 169 V C -0.107 176.072 176.094 0.142 0.000 1.057 169 V CA -0.715 61.662 62.300 0.128 0.000 1.012 169 V CB 0.549 32.407 31.823 0.058 0.000 1.006 169 V HN 0.285 nan 8.190 nan 0.000 0.477 170 L N 5.970 127.275 121.223 0.137 0.000 2.329 170 L HA 0.427 4.766 4.340 -0.002 0.000 0.279 170 L C -1.055 175.965 176.870 0.251 0.000 1.014 170 L CA -0.741 54.133 54.840 0.057 0.000 0.814 170 L CB 1.711 43.621 42.059 -0.247 0.000 1.257 170 L HN 0.702 nan 8.230 nan 0.000 0.424 171 Y N 3.588 123.998 120.300 0.183 0.000 2.504 171 Y HA 0.360 4.909 4.550 -0.002 0.000 0.351 171 Y C -0.417 175.570 175.900 0.145 0.000 0.988 171 Y CA -0.482 57.755 58.100 0.229 0.000 1.239 171 Y CB 0.739 39.379 38.460 0.300 0.000 1.128 171 Y HN 0.239 nan 8.280 nan 0.000 0.525 172 V N 6.575 126.413 119.914 -0.128 0.000 2.326 172 V HA 0.352 4.471 4.120 -0.002 0.000 0.281 172 V C -0.475 175.707 176.094 0.148 0.000 1.015 172 V CA -0.863 61.453 62.300 0.026 0.000 0.823 172 V CB 1.125 32.906 31.823 -0.069 0.000 1.009 172 V HN 0.736 nan 8.190 nan 0.000 0.436 173 E N 3.126 123.553 120.200 0.378 0.000 2.256 173 E HA 0.694 5.043 4.350 -0.002 0.000 0.268 173 E C -0.736 176.165 176.600 0.501 0.000 0.877 173 E CA -0.451 56.233 56.400 0.472 0.000 0.757 173 E CB 2.349 32.395 29.700 0.577 0.000 1.183 173 E HN 0.804 nan 8.360 nan 0.000 0.418 174 T N 0.575 115.349 114.554 0.367 0.000 2.908 174 T HA 0.781 5.130 4.350 -0.002 0.000 0.290 174 T C -0.859 174.092 174.700 0.418 0.000 1.034 174 T CA -0.827 61.426 62.100 0.255 0.000 1.010 174 T CB 0.763 69.707 68.868 0.127 0.000 1.068 174 T HN 0.570 nan 8.240 nan 0.000 0.481 175 W N -0.249 121.102 121.300 0.085 0.000 3.075 175 W HA 0.713 5.372 4.660 -0.002 0.000 0.334 175 W C -3.390 173.165 176.519 0.060 0.000 1.243 175 W CA -2.836 54.535 57.345 0.043 0.000 1.170 175 W CB -0.207 29.270 29.460 0.029 0.000 1.452 175 W HN 0.511 nan 8.180 nan 0.000 0.572 176 P HA -0.012 nan 4.420 nan 0.000 0.266 176 P C 0.017 177.361 177.300 0.073 0.000 1.195 176 P CA 0.328 63.489 63.100 0.101 0.000 0.768 176 P CB 0.410 32.179 31.700 0.116 0.000 0.838 177 N N 3.205 121.914 118.700 0.015 0.000 2.782 177 N HA -0.271 4.468 4.740 -0.002 0.000 0.274 177 N C 0.945 176.429 175.510 -0.044 0.000 0.962 177 N CA 0.412 53.463 53.050 0.002 0.000 0.848 177 N CB -0.904 37.620 38.487 0.063 0.000 0.923 177 N HN 0.536 nan 8.380 nan 0.000 0.575 178 M N -0.962 118.416 119.600 -0.369 0.000 2.073 178 M HA -0.119 4.360 4.480 -0.002 0.000 0.258 178 M C 1.054 177.277 176.300 -0.127 0.000 1.070 178 M CA 1.742 56.614 55.300 -0.713 0.000 1.103 178 M CB -0.467 31.135 32.600 -1.663 0.000 1.321 178 M HN 0.161 nan 8.290 nan 0.000 0.405 179 I N 2.886 123.399 120.570 -0.095 0.000 2.227 179 I HA 0.142 4.311 4.170 -0.002 0.000 0.297 179 I C -0.048 176.163 176.117 0.156 0.000 1.173 179 I CA -0.498 60.846 61.300 0.075 0.000 1.356 179 I CB -0.693 37.283 38.000 -0.039 0.000 1.485 179 I HN 0.401 nan 8.210 nan 0.000 0.604 180 S N 2.580 118.391 115.700 0.186 0.000 2.705 180 S HA 0.886 5.355 4.470 -0.002 0.000 0.280 180 S C 0.259 174.971 174.600 0.186 0.000 1.174 180 S CA -0.272 58.036 58.200 0.180 0.000 0.823 180 S CB 1.622 64.906 63.200 0.140 0.000 1.162 180 S HN 0.767 nan 8.310 nan 0.000 0.487 181 G N 1.678 110.571 108.800 0.155 0.000 2.596 181 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.295 181 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.295 181 G C 0.649 175.642 174.900 0.156 0.000 1.240 181 G CA 0.729 45.911 45.100 0.137 0.000 0.985 181 G HN 0.905 nan 8.290 nan 0.000 0.555 182 R N -0.791 119.794 120.500 0.142 0.000 2.096 182 R HA -0.023 4.316 4.340 -0.002 0.000 0.235 182 R C 2.765 179.195 176.300 0.216 0.000 1.127 182 R CA 1.623 57.813 56.100 0.150 0.000 0.968 182 R CB -0.458 29.904 30.300 0.104 0.000 0.861 182 R HN 0.381 nan 8.270 nan 0.000 0.440 183 L N 0.682 122.046 121.223 0.236 0.000 1.970 183 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 183 L C 2.289 179.442 176.870 0.471 0.000 1.071 183 L CA 2.160 57.203 54.840 0.337 0.000 0.751 183 L CB -1.023 41.245 42.059 0.348 0.000 0.889 183 L HN 0.148 nan 8.230 nan 0.000 0.432 184 A N -0.685 122.365 122.820 0.383 0.000 1.927 184 A HA -0.293 4.026 4.320 -0.002 0.000 0.220 184 A C 1.963 179.747 177.584 0.333 0.000 1.185 184 A CA 2.253 54.518 52.037 0.381 0.000 0.639 184 A CB -0.989 18.203 19.000 0.320 0.000 0.820 184 A HN 0.616 nan 8.150 nan 0.000 0.451 185 D N -1.981 118.576 120.400 0.261 0.000 2.178 185 D HA -0.145 4.494 4.640 -0.002 0.000 0.202 185 D C 1.562 177.970 176.300 0.181 0.000 0.974 185 D CA 1.188 55.302 54.000 0.190 0.000 0.841 185 D CB -0.461 40.429 40.800 0.151 0.000 0.953 185 D HN 0.803 nan 8.370 nan 0.000 0.478 186 W N 0.867 122.194 121.300 0.046 0.000 2.355 186 W HA -0.164 4.495 4.660 -0.002 0.000 0.309 186 W C 1.878 178.330 176.519 -0.111 0.000 1.206 186 W CA 1.086 58.405 57.345 -0.043 0.000 1.284 186 W CB -0.614 28.788 29.460 -0.097 0.000 1.145 186 W HN -0.188 nan 8.180 nan 0.000 0.502 187 F N 0.230 120.056 119.950 -0.207 0.000 2.102 187 F HA -0.250 4.276 4.527 -0.002 0.000 0.298 187 F C 2.553 178.066 175.800 -0.478 0.000 1.105 187 F CA 2.259 59.860 58.000 -0.664 0.000 1.239 187 F CB -1.295 37.127 39.000 -0.964 0.000 0.991 187 F HN -0.116 nan 8.300 nan 0.000 0.474 188 M N 0.336 119.992 119.600 0.093 0.000 2.202 188 M HA -0.198 4.281 4.480 -0.002 0.000 0.262 188 M C 2.421 178.761 176.300 0.068 0.000 1.063 188 M CA 1.933 57.375 55.300 0.237 0.000 1.097 188 M CB -0.739 31.952 32.600 0.151 0.000 1.382 188 M HN 0.135 nan 8.290 nan 0.000 0.413 189 S N -0.753 114.908 115.700 -0.065 0.000 2.474 189 S HA -0.122 4.347 4.470 -0.002 0.000 0.235 189 S C 1.453 175.960 174.600 -0.154 0.000 0.997 189 S CA 0.873 59.011 58.200 -0.103 0.000 0.949 189 S CB -0.516 62.606 63.200 -0.129 0.000 0.766 189 S HN 0.686 nan 8.310 nan 0.000 0.517 190 Q N -0.002 119.643 119.800 -0.259 0.000 2.246 190 Q HA 0.200 4.538 4.340 -0.002 0.000 0.202 190 Q C -0.493 175.457 176.000 -0.084 0.000 0.883 190 Q CA -0.383 55.268 55.803 -0.253 0.000 0.952 190 Q CB -0.274 28.163 28.738 -0.501 0.000 1.078 190 Q HN 0.777 nan 8.270 nan 0.000 0.493 191 Y N 1.468 121.733 120.300 -0.059 0.000 2.895 191 Y HA 0.044 4.593 4.550 -0.002 0.000 0.334 191 Y C 1.508 177.398 175.900 -0.016 0.000 1.261 191 Y CA 2.059 60.174 58.100 0.025 0.000 1.560 191 Y CB 0.231 38.743 38.460 0.086 0.000 1.253 191 Y HN 0.482 nan 8.280 nan 0.000 0.582 192 G N 3.494 111.833 108.800 -0.767 0.000 2.304 192 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.252 192 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.252 192 G C 0.327 175.034 174.900 -0.321 0.000 1.014 192 G CA 0.226 44.992 45.100 -0.558 0.000 0.619 192 G HN 0.703 nan 8.290 nan 0.000 0.525 193 N N 1.177 119.764 118.700 -0.188 0.000 2.340 193 N HA 0.196 4.935 4.740 -0.002 0.000 0.236 193 N C 0.231 175.738 175.510 -0.005 0.000 1.296 193 N CA 0.126 53.129 53.050 -0.078 0.000 0.896 193 N CB 0.177 38.631 38.487 -0.055 0.000 1.127 193 N HN 0.617 nan 8.380 nan 0.000 0.442 194 N N 0.719 119.454 118.700 0.059 0.000 2.479 194 N HA 0.009 4.748 4.740 -0.002 0.000 0.285 194 N C 0.691 176.332 175.510 0.219 0.000 1.075 194 N CA -0.332 52.812 53.050 0.156 0.000 0.967 194 N CB 0.596 39.141 38.487 0.096 0.000 1.137 194 N HN 0.394 nan 8.380 nan 0.000 0.472 195 F N 4.553 124.603 119.950 0.166 0.000 2.120 195 F HA -0.185 4.341 4.527 -0.002 0.000 0.300 195 F C 1.632 177.366 175.800 -0.110 0.000 1.095 195 F CA 1.384 59.372 58.000 -0.019 0.000 1.249 195 F CB -0.193 38.586 39.000 -0.368 0.000 0.995 195 F HN 0.350 nan 8.300 nan 0.000 0.480 196 V N 0.384 120.126 119.914 -0.286 0.000 2.379 196 V HA -0.244 3.875 4.120 -0.002 0.000 0.245 196 V C 2.038 177.974 176.094 -0.263 0.000 1.044 196 V CA 2.052 64.114 62.300 -0.397 0.000 1.036 196 V CB -0.778 30.966 31.823 -0.131 0.000 0.664 196 V HN 0.211 nan 8.190 nan 0.000 0.453 197 D N -0.042 120.281 120.400 -0.127 0.000 2.116 197 D HA -0.215 4.424 4.640 -0.002 0.000 0.193 197 D C 2.181 178.415 176.300 -0.110 0.000 0.998 197 D CA 1.653 55.600 54.000 -0.087 0.000 0.836 197 D CB -0.272 40.508 40.800 -0.035 0.000 0.951 197 D HN 0.333 nan 8.370 nan 0.000 0.449 198 M N -0.344 119.185 119.600 -0.118 0.000 2.080 198 M HA -0.188 4.291 4.480 -0.002 0.000 0.260 198 M C 2.379 178.595 176.300 -0.139 0.000 1.068 198 M CA 1.084 56.329 55.300 -0.091 0.000 1.109 198 M CB -0.340 32.255 32.600 -0.008 0.000 1.342 198 M HN 0.155 nan 8.290 nan 0.000 0.405 199 C N 0.095 119.196 119.300 -0.332 0.000 2.413 199 C HA -0.114 4.345 4.460 -0.002 0.000 0.276 199 C C 2.988 177.849 174.990 -0.215 0.000 1.248 199 C CA 1.094 59.905 59.018 -0.346 0.000 1.742 199 C CB -1.376 26.009 27.740 -0.592 0.000 2.017 199 C HN 0.653 nan 8.230 nan 0.000 0.481 200 A N -0.140 122.568 122.820 -0.186 0.000 2.067 200 A HA -0.102 4.216 4.320 -0.002 0.000 0.217 200 A C 2.238 179.769 177.584 -0.088 0.000 1.156 200 A CA 1.116 53.082 52.037 -0.119 0.000 0.683 200 A CB -0.540 18.402 19.000 -0.097 0.000 0.808 200 A HN 0.659 nan 8.150 nan 0.000 0.455 201 R N -0.429 120.022 120.500 -0.082 0.000 2.073 201 R HA 0.058 4.397 4.340 -0.002 0.000 0.229 201 R C 1.805 178.049 176.300 -0.092 0.000 1.120 201 R CA 1.073 57.139 56.100 -0.057 0.000 0.967 201 R CB -0.280 30.004 30.300 -0.026 0.000 0.862 201 R HN 0.502 nan 8.270 nan 0.000 0.436 202 L N 0.146 121.297 121.223 -0.120 0.000 2.093 202 L HA -0.140 4.199 4.340 -0.002 0.000 0.208 202 L C 2.198 178.925 176.870 -0.238 0.000 1.085 202 L CA 1.575 56.275 54.840 -0.234 0.000 0.755 202 L CB -0.454 41.476 42.059 -0.215 0.000 0.904 202 L HN 0.356 nan 8.230 nan 0.000 0.435 203 T N -1.048 113.415 114.554 -0.151 0.000 2.580 203 T HA -0.372 3.976 4.350 -0.002 0.000 0.265 203 T C 1.617 176.263 174.700 -0.089 0.000 1.063 203 T CA 1.751 63.789 62.100 -0.104 0.000 1.170 203 T CB -0.515 68.312 68.868 -0.068 0.000 0.863 203 T HN 0.292 nan 8.240 nan 0.000 0.418 204 Q N 1.279 121.035 119.800 -0.072 0.000 2.146 204 Q HA -0.263 4.076 4.340 -0.002 0.000 0.217 204 Q C 2.184 178.150 176.000 -0.056 0.000 1.023 204 Q CA 2.766 58.539 55.803 -0.050 0.000 0.903 204 Q CB -0.689 28.023 28.738 -0.043 0.000 0.990 204 Q HN 0.495 nan 8.270 nan 0.000 0.413 205 S N -1.331 114.289 115.700 -0.132 0.000 2.395 205 S HA -0.030 4.439 4.470 -0.002 0.000 0.225 205 S C 1.578 176.128 174.600 -0.082 0.000 1.027 205 S CA 0.817 58.926 58.200 -0.151 0.000 0.965 205 S CB 0.013 62.983 63.200 -0.383 0.000 0.812 205 S HN 0.545 nan 8.310 nan 0.000 0.482 206 C N 2.151 121.336 119.300 -0.192 0.000 2.551 206 C HA 0.271 4.730 4.460 -0.002 0.000 0.284 206 C C 2.525 177.534 174.990 0.031 0.000 1.329 206 C CA -0.197 58.818 59.018 -0.005 0.000 1.683 206 C CB -1.988 25.710 27.740 -0.070 0.000 1.730 206 C HN 0.497 nan 8.230 nan 0.000 0.591 207 S N 2.513 118.226 115.700 0.021 0.000 2.355 207 S HA -0.103 4.366 4.470 -0.002 0.000 0.222 207 S C 0.875 175.487 174.600 0.020 0.000 1.031 207 S CA 1.106 59.317 58.200 0.018 0.000 0.993 207 S CB -0.327 62.882 63.200 0.016 0.000 0.859 207 S HN 0.901 nan 8.310 nan 0.000 0.453 208 N N 2.184 120.904 118.700 0.033 0.000 2.400 208 N HA 0.045 4.784 4.740 -0.002 0.000 0.267 208 N C 0.175 175.697 175.510 0.020 0.000 1.208 208 N CA 0.056 53.117 53.050 0.017 0.000 0.951 208 N CB -0.004 38.492 38.487 0.016 0.000 1.227 208 N HN 0.074 nan 8.380 nan 0.000 0.488 209 M N 0.564 120.162 119.600 -0.003 0.000 2.706 209 M HA 0.028 4.507 4.480 -0.002 0.000 0.251 209 M C -1.254 175.041 176.300 -0.008 0.000 1.070 209 M CA -1.105 54.194 55.300 -0.001 0.000 1.073 209 M CB -1.670 30.918 32.600 -0.019 0.000 1.449 209 M HN 0.287 nan 8.290 nan 0.000 0.531 210 P HA -0.098 nan 4.420 nan 0.000 0.099 210 P C -0.625 176.656 177.300 -0.031 0.000 0.905 210 P CA 0.476 63.556 63.100 -0.034 0.000 0.926 210 P CB -0.899 30.776 31.700 -0.042 0.000 1.620 211 V N 0.934 120.841 119.914 -0.012 0.000 2.334 211 V HA 0.235 4.354 4.120 -0.002 0.000 0.281 211 V C 0.509 176.582 176.094 -0.035 0.000 1.016 211 V CA -0.504 61.794 62.300 -0.003 0.000 0.832 211 V CB 1.489 33.334 31.823 0.038 0.000 0.999 211 V HN 0.044 nan 8.190 nan 0.000 0.439 212 E N 7.693 127.856 120.200 -0.062 0.000 2.175 212 E HA 0.481 4.829 4.350 -0.002 0.000 0.278 212 E C -2.540 174.011 176.600 -0.081 0.000 0.969 212 E CA -2.193 54.163 56.400 -0.072 0.000 0.796 212 E CB 1.779 31.430 29.700 -0.083 0.000 1.104 212 E HN 0.397 nan 8.360 nan 0.000 0.395 213 P HA 0.032 nan 4.420 nan 0.000 0.267 213 P C -0.585 176.646 177.300 -0.115 0.000 1.205 213 P CA 0.359 63.394 63.100 -0.108 0.000 0.765 213 P CB 0.628 32.260 31.700 -0.114 0.000 0.828 214 D N 0.117 120.439 120.400 -0.130 0.000 2.911 214 D HA -0.121 4.518 4.640 -0.002 0.000 0.199 214 D C 0.976 177.216 176.300 -0.100 0.000 1.041 214 D CA 1.689 55.609 54.000 -0.133 0.000 1.013 214 D CB -1.384 39.331 40.800 -0.142 0.000 1.093 214 D HN 0.617 nan 8.370 nan 0.000 0.431 215 G N 0.112 108.853 108.800 -0.098 0.000 2.744 215 G HA2 0.041 3.999 3.960 -0.002 0.000 0.257 215 G HA3 0.041 3.999 3.960 -0.002 0.000 0.257 215 G C 1.161 176.003 174.900 -0.096 0.000 1.244 215 G CA 0.206 45.240 45.100 -0.109 0.000 0.916 215 G HN 0.079 nan 8.290 nan 0.000 0.564 216 N N -1.087 117.530 118.700 -0.137 0.000 2.106 216 N HA -0.123 4.616 4.740 -0.002 0.000 0.188 216 N C 1.953 177.428 175.510 -0.059 0.000 1.029 216 N CA 1.077 54.059 53.050 -0.114 0.000 0.848 216 N CB -0.314 38.079 38.487 -0.158 0.000 1.007 216 N HN 0.539 nan 8.380 nan 0.000 0.423 217 Y N 1.534 121.708 120.300 -0.210 0.000 2.181 217 Y HA -0.162 4.388 4.550 -0.001 0.000 0.288 217 Y C 2.371 178.150 175.900 -0.200 0.000 1.146 217 Y CA 0.716 58.671 58.100 -0.242 0.000 1.164 217 Y CB -1.051 37.306 38.460 -0.171 0.000 0.982 217 Y HN 0.149 nan 8.280 nan 0.000 0.515 218 D N -0.478 119.938 120.400 0.026 0.000 2.084 218 D HA -0.172 4.467 4.640 -0.002 0.000 0.194 218 D C 2.044 178.338 176.300 -0.009 0.000 0.990 218 D CA 1.656 55.639 54.000 -0.029 0.000 0.826 218 D CB -0.086 40.674 40.800 -0.067 0.000 0.971 218 D HN 0.338 nan 8.370 nan 0.000 0.453 219 Q N -0.441 119.364 119.800 0.008 0.000 2.061 219 Q HA -0.226 4.113 4.340 -0.002 0.000 0.204 219 Q C 2.462 178.570 176.000 0.179 0.000 0.984 219 Q CA 1.423 57.312 55.803 0.144 0.000 0.846 219 Q CB -0.177 28.654 28.738 0.156 0.000 0.902 219 Q HN 0.502 nan 8.270 nan 0.000 0.421 220 Q N 0.100 119.846 119.800 -0.091 0.000 2.045 220 Q HA -0.209 4.130 4.340 -0.002 0.000 0.206 220 Q C 2.129 178.056 176.000 -0.121 0.000 0.991 220 Q CA 1.744 57.310 55.803 -0.395 0.000 0.851 220 Q CB -0.158 27.935 28.738 -1.076 0.000 0.911 220 Q HN 0.422 nan 8.270 nan 0.000 0.418 221 M N -0.253 119.303 119.600 -0.074 0.000 2.086 221 M HA -0.195 4.283 4.480 -0.002 0.000 0.261 221 M C 2.201 178.606 176.300 0.174 0.000 1.067 221 M CA 1.600 56.914 55.300 0.023 0.000 1.116 221 M CB -0.231 32.352 32.600 -0.029 0.000 1.348 221 M HN 0.122 nan 8.290 nan 0.000 0.407 222 R N -0.087 120.554 120.500 0.235 0.000 2.092 222 R HA -0.055 4.284 4.340 -0.002 0.000 0.231 222 R C 2.309 178.899 176.300 0.483 0.000 1.119 222 R CA 1.422 57.761 56.100 0.399 0.000 0.970 222 R CB -0.445 30.134 30.300 0.464 0.000 0.864 222 R HN 0.372 nan 8.270 nan 0.000 0.440 223 A N 1.161 124.281 122.820 0.499 0.000 1.929 223 A HA -0.111 4.208 4.320 -0.002 0.000 0.216 223 A C 2.031 179.954 177.584 0.565 0.000 1.176 223 A CA 0.725 53.013 52.037 0.419 0.000 0.628 223 A CB -0.361 18.899 19.000 0.434 0.000 0.816 223 A HN 0.193 nan 8.150 nan 0.000 0.444 224 L N 0.343 121.960 121.223 0.657 0.000 2.012 224 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 224 L C 2.211 179.418 176.870 0.561 0.000 1.073 224 L CA 1.865 57.134 54.840 0.714 0.000 0.748 224 L CB -0.674 41.712 42.059 0.545 0.000 0.891 224 L HN 0.449 nan 8.230 nan 0.000 0.431 225 I N -0.684 120.135 120.570 0.415 0.000 2.127 225 I HA -0.337 3.832 4.170 -0.002 0.000 0.241 225 I C 2.553 178.833 176.117 0.272 0.000 1.075 225 I CA 1.769 63.265 61.300 0.327 0.000 1.334 225 I CB -0.596 37.553 38.000 0.249 0.000 1.040 225 I HN 0.460 nan 8.210 nan 0.000 0.405 226 S N 0.741 116.594 115.700 0.256 0.000 2.406 226 S HA -0.113 4.356 4.470 -0.002 0.000 0.228 226 S C 1.945 176.615 174.600 0.116 0.000 1.020 226 S CA 0.567 58.867 58.200 0.166 0.000 0.965 226 S CB -0.662 62.670 63.200 0.219 0.000 0.798 226 S HN 0.345 nan 8.310 nan 0.000 0.488 227 L N 0.678 122.018 121.223 0.195 0.000 2.093 227 L HA 0.142 4.480 4.340 -0.002 0.000 0.208 227 L C 2.159 179.184 176.870 0.257 0.000 1.085 227 L CA 1.614 56.583 54.840 0.216 0.000 0.755 227 L CB -1.006 41.201 42.059 0.247 0.000 0.904 227 L HN 0.573 nan 8.230 nan 0.000 0.435 228 W N -0.321 120.938 121.300 -0.068 0.000 2.379 228 W HA -0.221 4.438 4.660 -0.002 0.000 0.307 228 W C 2.189 178.350 176.519 -0.597 0.000 1.200 228 W CA 1.758 58.678 57.345 -0.710 0.000 1.297 228 W CB -0.406 28.029 29.460 -1.707 0.000 1.140 228 W HN 0.236 nan 8.180 nan 0.000 0.507 229 L N 0.783 121.612 121.223 -0.657 0.000 2.093 229 L HA -0.064 4.275 4.340 -0.002 0.000 0.208 229 L C 2.234 178.779 176.870 -0.542 0.000 1.085 229 L CA 1.850 56.152 54.840 -0.897 0.000 0.755 229 L CB -0.960 40.836 42.059 -0.439 0.000 0.904 229 L HN 0.122 nan 8.230 nan 0.000 0.435 230 L N -1.476 119.566 121.223 -0.303 0.000 2.156 230 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 230 L C 2.390 179.175 176.870 -0.142 0.000 1.095 230 L CA 1.000 55.732 54.840 -0.179 0.000 0.770 230 L CB -0.657 41.359 42.059 -0.071 0.000 0.914 230 L HN 0.205 nan 8.230 nan 0.000 0.439 231 S N -0.772 114.837 115.700 -0.152 0.000 2.368 231 S HA -0.233 4.235 4.470 -0.002 0.000 0.225 231 S C 1.889 176.345 174.600 -0.239 0.000 1.030 231 S CA 1.185 59.363 58.200 -0.037 0.000 0.999 231 S CB -0.471 62.791 63.200 0.104 0.000 0.844 231 S HN 0.374 nan 8.310 nan 0.000 0.459 232 Y N 2.778 122.511 120.300 -0.946 0.000 2.181 232 Y HA -0.108 4.441 4.550 -0.002 0.000 0.288 232 Y C 1.878 177.512 175.900 -0.444 0.000 1.146 232 Y CA 1.537 59.013 58.100 -1.040 0.000 1.164 232 Y CB -0.339 37.178 38.460 -1.572 0.000 0.982 232 Y HN 0.368 nan 8.280 nan 0.000 0.515 233 I N -2.918 117.469 120.570 -0.305 0.000 3.684 233 I HA 0.372 4.541 4.170 -0.002 0.000 0.304 233 I C 1.668 177.651 176.117 -0.223 0.000 1.278 233 I CA 0.841 61.986 61.300 -0.258 0.000 1.272 233 I CB -0.272 37.622 38.000 -0.177 0.000 1.029 233 I HN 0.260 nan 8.210 nan 0.000 0.458 234 G N 1.702 110.406 108.800 -0.161 0.000 2.225 234 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.254 234 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.254 234 G C 0.953 175.878 174.900 0.041 0.000 0.988 234 G CA 0.717 45.785 45.100 -0.053 0.000 0.625 234 G HN 0.692 nan 8.290 nan 0.000 0.527 235 V N -1.632 118.270 119.914 -0.021 0.000 2.626 235 V HA 0.309 4.428 4.120 -0.002 0.000 0.252 235 V C 1.462 177.569 176.094 0.022 0.000 1.067 235 V CA 1.383 63.678 62.300 -0.009 0.000 1.081 235 V CB -0.349 31.445 31.823 -0.047 0.000 0.686 235 V HN 0.560 nan 8.190 nan 0.000 0.468 236 V N 3.455 123.396 119.914 0.046 0.000 2.370 236 V HA 0.610 4.729 4.120 -0.002 0.000 0.279 236 V C -0.094 176.093 176.094 0.155 0.000 1.029 236 V CA 0.283 62.633 62.300 0.083 0.000 0.870 236 V CB 0.696 32.577 31.823 0.096 0.000 0.984 236 V HN 0.993 nan 8.190 nan 0.000 0.451 237 N N 2.727 121.458 118.700 0.052 0.000 3.526 237 N HA 0.174 4.912 4.740 -0.002 0.000 0.328 237 N C 0.471 175.625 175.510 -0.593 0.000 1.601 237 N CA -0.783 52.220 53.050 -0.080 0.000 0.834 237 N CB 0.724 39.240 38.487 0.049 0.000 1.983 237 N HN 0.230 nan 8.380 nan 0.000 0.579 238 Q N -0.978 118.320 119.800 -0.837 0.000 2.167 238 Q HA -0.098 4.241 4.340 -0.002 0.000 0.202 238 Q C 0.900 176.604 176.000 -0.494 0.000 0.970 238 Q CA 2.193 57.363 55.803 -1.054 0.000 0.855 238 Q CB -0.202 28.131 28.738 -0.675 0.000 0.911 238 Q HN 0.832 nan 8.270 nan 0.000 0.438 239 T N -2.796 111.577 114.554 -0.302 0.000 3.100 239 T HA 0.050 4.399 4.350 -0.002 0.000 0.253 239 T C 0.256 174.879 174.700 -0.127 0.000 1.118 239 T CA 0.184 62.179 62.100 -0.175 0.000 1.058 239 T CB 0.182 68.980 68.868 -0.118 0.000 0.953 239 T HN -0.013 nan 8.240 nan 0.000 0.515 240 N N 1.885 120.506 118.700 -0.131 0.000 2.685 240 N HA 0.276 5.015 4.740 -0.002 0.000 0.252 240 N C -0.755 174.730 175.510 -0.042 0.000 1.261 240 N CA -0.285 52.724 53.050 -0.068 0.000 0.768 240 N CB 1.475 39.940 38.487 -0.036 0.000 1.304 240 N HN 0.447 nan 8.380 nan 0.000 0.536 241 T N -0.780 113.754 114.554 -0.035 0.000 2.912 241 T HA 0.608 4.957 4.350 -0.002 0.000 0.280 241 T C 0.414 175.139 174.700 0.040 0.000 0.989 241 T CA -0.686 61.437 62.100 0.038 0.000 0.995 241 T CB 1.034 69.912 68.868 0.017 0.000 1.077 241 T HN 0.188 nan 8.240 nan 0.000 0.531 242 I N 1.969 122.589 120.570 0.083 0.000 2.337 242 I HA 0.234 4.403 4.170 -0.002 0.000 0.285 242 I C 0.288 176.478 176.117 0.121 0.000 1.041 242 I CA -0.685 60.651 61.300 0.059 0.000 1.199 242 I CB 0.967 38.976 38.000 0.015 0.000 1.370 242 I HN 0.914 nan 8.210 nan 0.000 0.470 243 S N 4.586 120.336 115.700 0.082 0.000 3.521 243 S HA -0.232 4.237 4.470 -0.002 0.000 0.362 243 S C 1.200 175.854 174.600 0.091 0.000 1.044 243 S CA 0.855 59.130 58.200 0.125 0.000 1.091 243 S CB -1.239 62.084 63.200 0.205 0.000 0.908 243 S HN 1.285 nan 8.310 nan 0.000 0.473 244 G N -1.165 107.558 108.800 -0.128 0.000 2.284 244 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.216 244 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.216 244 G C -0.086 174.536 174.900 -0.463 0.000 1.009 244 G CA -0.099 44.642 45.100 -0.598 0.000 0.625 244 G HN 0.600 nan 8.290 nan 0.000 0.501 245 F N 1.038 121.038 119.950 0.084 0.000 2.399 245 F HA 0.778 5.304 4.527 -0.002 0.000 0.328 245 F C 0.460 176.311 175.800 0.084 0.000 1.084 245 F CA -0.389 57.635 58.000 0.040 0.000 1.053 245 F CB 1.247 40.167 39.000 -0.133 0.000 1.209 245 F HN 0.417 nan 8.300 nan 0.000 0.502 246 Y N -0.822 119.541 120.300 0.105 0.000 2.677 246 Y HA 0.651 5.200 4.550 -0.002 0.000 0.334 246 Y C -2.177 173.706 175.900 -0.029 0.000 1.196 246 Y CA -2.516 55.628 58.100 0.073 0.000 1.059 246 Y CB 0.642 39.172 38.460 0.116 0.000 1.315 246 Y HN 0.371 nan 8.280 nan 0.000 0.455 247 F N 1.417 121.547 119.950 0.300 0.000 2.422 247 F HA 0.683 5.209 4.527 -0.002 0.000 0.333 247 F C 0.466 176.632 175.800 0.611 0.000 1.095 247 F CA -0.492 57.701 58.000 0.322 0.000 1.038 247 F CB 2.152 41.375 39.000 0.372 0.000 1.156 247 F HN 0.606 nan 8.300 nan 0.000 0.483 248 S N 1.714 117.792 115.700 0.630 0.000 2.513 248 S HA 0.665 5.134 4.470 -0.002 0.000 0.299 248 S C -1.012 173.742 174.600 0.258 0.000 1.087 248 S CA -0.450 58.075 58.200 0.541 0.000 1.012 248 S CB 1.489 65.016 63.200 0.546 0.000 1.044 248 S HN 0.571 nan 8.310 nan 0.000 0.485 249 S N 2.758 118.426 115.700 -0.052 0.000 2.594 249 S HA 0.413 4.882 4.470 -0.002 0.000 0.296 249 S C 0.631 175.134 174.600 -0.161 0.000 1.124 249 S CA -0.677 57.322 58.200 -0.336 0.000 1.011 249 S CB 1.215 63.742 63.200 -1.121 0.000 1.016 249 S HN 0.796 nan 8.310 nan 0.000 0.485 250 K N 1.334 121.672 120.400 -0.104 0.000 2.063 250 K HA -0.065 4.254 4.320 -0.002 0.000 0.208 250 K C 0.980 177.569 176.600 -0.020 0.000 1.048 250 K CA 1.665 57.914 56.287 -0.064 0.000 0.928 250 K CB -0.124 32.356 32.500 -0.033 0.000 0.713 250 K HN 0.778 nan 8.250 nan 0.000 0.442 251 T N -1.457 113.079 114.554 -0.030 0.000 2.918 251 T HA 0.544 4.893 4.350 -0.002 0.000 0.286 251 T C -0.788 173.921 174.700 0.015 0.000 1.026 251 T CA -1.090 61.017 62.100 0.012 0.000 1.031 251 T CB 2.048 70.892 68.868 -0.040 0.000 1.046 251 T HN -0.087 nan 8.240 nan 0.000 0.479 252 R N 0.824 121.354 120.500 0.050 0.000 2.435 252 R HA 0.598 4.936 4.340 -0.002 0.000 0.308 252 R C 0.521 176.780 176.300 -0.069 0.000 0.975 252 R CA 0.516 56.585 56.100 -0.052 0.000 0.867 252 R CB 0.555 30.717 30.300 -0.231 0.000 1.171 252 R HN 1.446 nan 8.270 nan 0.000 0.470 253 G N 2.488 111.260 108.800 -0.047 0.000 2.288 253 G HA2 -0.182 3.776 3.960 -0.002 0.000 0.205 253 G HA3 -0.182 3.776 3.960 -0.002 0.000 0.205 253 G C -0.624 174.232 174.900 -0.073 0.000 1.071 253 G CA 0.184 45.276 45.100 -0.014 0.000 0.788 253 G HN 0.638 nan 8.290 nan 0.000 0.491 254 Q N -1.457 118.173 119.800 -0.285 0.000 2.522 254 Q HA 0.654 4.993 4.340 -0.002 0.000 0.285 254 Q C 1.316 176.795 176.000 -0.869 0.000 0.982 254 Q CA 0.028 55.449 55.803 -0.637 0.000 0.805 254 Q CB 1.016 29.594 28.738 -0.267 0.000 1.457 254 Q HN 1.040 nan 8.270 nan 0.000 0.394 255 A N 2.309 124.380 122.820 -1.248 0.000 1.985 255 A HA -0.176 4.143 4.320 -0.002 0.000 0.223 255 A C 1.236 178.682 177.584 -0.230 0.000 1.189 255 A CA 1.539 53.221 52.037 -0.592 0.000 0.658 255 A CB -0.338 18.554 19.000 -0.180 0.000 0.820 255 A HN 0.577 nan 8.150 nan 0.000 0.464 256 L N 0.169 121.276 121.223 -0.193 0.000 2.685 256 L HA 0.104 4.443 4.340 -0.002 0.000 0.233 256 L C -0.624 176.192 176.870 -0.090 0.000 1.173 256 L CA 0.091 54.875 54.840 -0.094 0.000 0.961 256 L CB -0.978 41.044 42.059 -0.062 0.000 1.217 256 L HN 0.246 nan 8.230 nan 0.000 0.478 257 D N 0.754 121.091 120.400 -0.105 0.000 2.531 257 D HA 0.039 4.678 4.640 -0.002 0.000 0.239 257 D C 0.281 176.530 176.300 -0.086 0.000 1.144 257 D CA 0.866 54.795 54.000 -0.118 0.000 0.869 257 D CB 0.776 41.585 40.800 0.015 0.000 1.160 257 D HN -0.040 nan 8.370 nan 0.000 0.484 258 S N 2.384 117.941 115.700 -0.238 0.000 2.626 258 S HA 0.352 4.820 4.470 -0.002 0.000 0.275 258 S C -1.753 172.751 174.600 -0.159 0.000 1.175 258 S CA -0.829 57.325 58.200 -0.076 0.000 0.982 258 S CB 0.170 63.372 63.200 0.004 0.000 1.093 258 S HN 0.361 nan 8.310 nan 0.000 0.472 259 W N 3.424 124.893 121.300 0.282 0.000 2.308 259 W HA 0.444 5.103 4.660 -0.002 0.000 0.311 259 W C 0.401 177.124 176.519 0.341 0.000 1.088 259 W CA -0.463 57.093 57.345 0.353 0.000 1.309 259 W CB 1.384 31.084 29.460 0.400 0.000 1.229 259 W HN 0.410 nan 8.180 nan 0.000 0.427 260 T N 4.635 119.403 114.554 0.356 0.000 2.794 260 T HA 0.285 4.634 4.350 -0.002 0.000 0.280 260 T C -0.636 173.886 174.700 -0.296 0.000 0.987 260 T CA -0.700 61.371 62.100 -0.048 0.000 0.993 260 T CB 0.885 69.494 68.868 -0.431 0.000 0.939 260 T HN 0.180 nan 8.240 nan 0.000 0.449 261 L N 4.907 125.878 121.223 -0.419 0.000 2.418 261 L HA 0.448 4.786 4.340 -0.002 0.000 0.274 261 L C -1.307 174.961 176.870 -1.003 0.000 1.135 261 L CA 0.451 54.802 54.840 -0.815 0.000 0.870 261 L CB -0.633 41.079 42.059 -0.578 0.000 1.154 261 L HN 0.439 nan 8.230 nan 0.000 0.462 262 F N 4.669 124.205 119.950 -0.691 0.000 2.618 262 F HA 0.486 5.011 4.527 -0.002 0.000 0.332 262 F C -0.748 174.864 175.800 -0.313 0.000 1.061 262 F CA -0.683 56.916 58.000 -0.667 0.000 0.974 262 F CB 1.330 39.907 39.000 -0.705 0.000 1.310 262 F HN 0.331 nan 8.300 nan 0.000 0.491 263 Y N -0.060 120.385 120.300 0.242 0.000 2.406 263 Y HA 0.529 5.078 4.550 -0.002 0.000 0.340 263 Y C -0.681 175.277 175.900 0.098 0.000 0.975 263 Y CA -0.635 57.484 58.100 0.031 0.000 1.056 263 Y CB 1.894 40.321 38.460 -0.054 0.000 1.210 263 Y HN 0.532 nan 8.280 nan 0.000 0.448 264 T N 4.261 118.384 114.554 -0.718 0.000 2.779 264 T HA 0.224 4.573 4.350 -0.002 0.000 0.280 264 T C 0.687 174.880 174.700 -0.844 0.000 0.987 264 T CA -0.137 61.658 62.100 -0.508 0.000 0.966 264 T CB 1.411 70.133 68.868 -0.245 0.000 0.933 264 T HN 0.898 nan 8.240 nan 0.000 0.442 265 T N 2.765 117.078 114.554 -0.400 0.000 2.937 265 T HA -0.014 4.335 4.350 -0.002 0.000 0.260 265 T C 1.783 176.390 174.700 -0.156 0.000 1.051 265 T CA 0.717 62.693 62.100 -0.206 0.000 1.141 265 T CB 0.014 68.860 68.868 -0.036 0.000 0.879 265 T HN 0.745 nan 8.240 nan 0.000 0.459 266 N N 1.062 119.677 118.700 -0.143 0.000 2.184 266 N HA 0.023 4.762 4.740 -0.002 0.000 0.206 266 N C 0.405 175.855 175.510 -0.100 0.000 1.151 266 N CA -0.098 52.893 53.050 -0.097 0.000 0.878 266 N CB 0.208 38.651 38.487 -0.074 0.000 1.014 266 N HN 0.384 nan 8.380 nan 0.000 0.512 267 T N -1.554 112.924 114.554 -0.128 0.000 2.952 267 T HA 0.295 4.644 4.350 -0.002 0.000 0.286 267 T C -0.066 174.571 174.700 -0.105 0.000 1.024 267 T CA -0.847 61.183 62.100 -0.116 0.000 1.029 267 T CB 1.443 70.227 68.868 -0.140 0.000 1.094 267 T HN 0.051 nan 8.240 nan 0.000 0.515 268 N N 0.732 119.381 118.700 -0.085 0.000 2.359 268 N HA 0.010 4.748 4.740 -0.002 0.000 0.261 268 N C -0.448 175.026 175.510 -0.061 0.000 1.267 268 N CA 0.159 53.171 53.050 -0.064 0.000 0.864 268 N CB 0.136 38.591 38.487 -0.054 0.000 1.063 268 N HN 0.480 nan 8.380 nan 0.000 0.474 269 R N 2.639 123.112 120.500 -0.045 0.000 2.338 269 R HA 0.339 4.678 4.340 -0.002 0.000 0.317 269 R C -0.541 175.750 176.300 -0.015 0.000 0.968 269 R CA -1.031 55.050 56.100 -0.032 0.000 0.849 269 R CB 1.327 31.610 30.300 -0.028 0.000 1.128 269 R HN 0.306 nan 8.270 nan 0.000 0.448 270 V N 3.706 123.615 119.914 -0.009 0.000 2.720 270 V HA -0.121 3.998 4.120 -0.002 0.000 0.307 270 V C 0.537 176.635 176.094 0.006 0.000 1.071 270 V CA 0.895 63.194 62.300 -0.001 0.000 1.199 270 V CB 0.544 32.368 31.823 0.001 0.000 0.900 270 V HN 0.676 nan 8.190 nan 0.000 0.494 271 Q N 4.962 124.769 119.800 0.012 0.000 2.509 271 Q HA 0.427 4.766 4.340 -0.002 0.000 0.236 271 Q C -0.607 175.415 176.000 0.035 0.000 1.073 271 Q CA -0.290 55.526 55.803 0.021 0.000 0.867 271 Q CB 1.301 30.051 28.738 0.020 0.000 1.181 271 Q HN 0.651 nan 8.270 nan 0.000 0.526 272 I N 1.559 122.152 120.570 0.038 0.000 2.436 272 I HA -0.021 4.148 4.170 -0.002 0.000 0.289 272 I C 1.281 177.443 176.117 0.075 0.000 1.083 272 I CA 0.282 61.624 61.300 0.069 0.000 1.372 272 I CB 0.996 39.029 38.000 0.054 0.000 1.408 272 I HN 0.497 nan 8.210 nan 0.000 0.516 273 T N 5.075 119.684 114.554 0.092 0.000 2.901 273 T HA -0.005 4.344 4.350 -0.002 0.000 0.252 273 T C 0.607 175.319 174.700 0.021 0.000 1.035 273 T CA 0.744 62.877 62.100 0.055 0.000 1.142 273 T CB 0.155 69.054 68.868 0.053 0.000 0.869 273 T HN 0.728 nan 8.240 nan 0.000 0.442 274 Q N 0.188 119.972 119.800 -0.027 0.000 2.552 274 Q HA 0.543 4.882 4.340 -0.002 0.000 0.289 274 Q C -0.800 175.023 176.000 -0.296 0.000 1.097 274 Q CA -1.073 54.630 55.803 -0.167 0.000 0.812 274 Q CB 1.773 30.365 28.738 -0.243 0.000 1.460 274 Q HN 0.027 nan 8.270 nan 0.000 0.452 275 R N 0.825 121.168 120.500 -0.261 0.000 2.340 275 R HA 0.224 4.563 4.340 -0.002 0.000 0.300 275 R C -0.916 175.098 176.300 -0.477 0.000 1.069 275 R CA -0.058 55.929 56.100 -0.188 0.000 0.984 275 R CB 0.529 30.791 30.300 -0.063 0.000 1.003 275 R HN 0.632 nan 8.270 nan 0.000 0.459 276 H N 4.070 123.006 119.070 -0.224 0.000 2.538 276 H HA 0.298 4.853 4.556 -0.002 0.000 0.353 276 H C -1.358 173.715 175.328 -0.424 0.000 1.109 276 H CA -0.544 55.144 56.048 -0.600 0.000 1.192 276 H CB 1.815 30.696 29.762 -1.467 0.000 1.555 276 H HN 0.460 nan 8.280 nan 0.000 0.518 277 F N 1.735 121.504 119.950 -0.302 0.000 2.561 277 F HA 0.615 5.141 4.527 -0.002 0.000 0.313 277 F C -1.471 174.390 175.800 0.101 0.000 1.126 277 F CA -0.514 57.408 58.000 -0.130 0.000 0.918 277 F CB 1.476 40.330 39.000 -0.245 0.000 1.199 277 F HN 0.667 nan 8.300 nan 0.000 0.444 278 A N 4.139 126.420 122.820 -0.898 0.000 2.539 278 A HA 0.716 5.034 4.320 -0.002 0.000 0.296 278 A C -2.353 174.559 177.584 -1.120 0.000 1.073 278 A CA -0.536 51.056 52.037 -0.741 0.000 0.700 278 A CB 0.928 19.840 19.000 -0.147 0.000 1.296 278 A HN 0.637 nan 8.150 nan 0.000 0.405 279 Y N 0.291 120.350 120.300 -0.401 0.000 2.320 279 Y HA 0.536 5.085 4.550 -0.002 0.000 0.334 279 Y C 0.072 175.982 175.900 0.018 0.000 1.055 279 Y CA -0.432 57.603 58.100 -0.108 0.000 1.143 279 Y CB 1.843 40.388 38.460 0.142 0.000 1.193 279 Y HN 0.375 nan 8.280 nan 0.000 0.477 280 V N 3.441 123.482 119.914 0.212 0.000 2.623 280 V HA 0.415 4.534 4.120 -0.002 0.000 0.304 280 V C -0.443 175.849 176.094 0.330 0.000 1.054 280 V CA -1.132 61.301 62.300 0.221 0.000 0.882 280 V CB 1.312 33.222 31.823 0.145 0.000 1.002 280 V HN 1.001 nan 8.190 nan 0.000 0.424 281 C N 2.498 121.973 119.300 0.291 0.000 2.486 281 C HA 0.979 5.438 4.460 -0.002 0.000 0.348 281 C C 0.622 175.700 174.990 0.147 0.000 1.203 281 C CA -0.790 58.407 59.018 0.297 0.000 1.911 281 C CB 1.202 28.961 27.740 0.032 0.000 2.340 281 C HN 1.170 nan 8.230 nan 0.000 0.511 282 A N 1.382 124.095 122.820 -0.178 0.000 2.354 282 A HA 0.468 4.787 4.320 -0.002 0.000 0.281 282 A C 1.333 178.714 177.584 -0.339 0.000 1.174 282 A CA -0.370 51.298 52.037 -0.614 0.000 0.828 282 A CB 0.058 18.449 19.000 -1.015 0.000 1.099 282 A HN 1.079 nan 8.150 nan 0.000 0.516 283 R N 2.411 122.759 120.500 -0.253 0.000 2.057 283 R HA -0.049 4.290 4.340 -0.002 0.000 0.229 283 R C 1.000 177.161 176.300 -0.231 0.000 1.136 283 R CA 1.540 57.528 56.100 -0.186 0.000 0.952 283 R CB -0.160 30.060 30.300 -0.133 0.000 0.848 283 R HN 0.775 nan 8.270 nan 0.000 0.430 284 S N 0.184 115.707 115.700 -0.294 0.000 2.584 284 S HA 0.262 4.731 4.470 -0.002 0.000 0.273 284 S C -2.078 172.154 174.600 -0.613 0.000 1.311 284 S CA -1.480 56.399 58.200 -0.535 0.000 1.034 284 S CB 1.641 64.587 63.200 -0.423 0.000 0.939 284 S HN 0.051 nan 8.310 nan 0.000 0.513 285 P HA -0.056 nan 4.420 nan 0.000 0.228 285 P C 0.545 177.230 177.300 -1.025 0.000 1.151 285 P CA 0.893 63.258 63.100 -1.225 0.000 0.770 285 P CB -0.215 30.254 31.700 -2.052 0.000 0.786 286 D N -0.911 119.035 120.400 -0.756 0.000 2.378 286 D HA -0.203 4.436 4.640 -0.002 0.000 0.222 286 D C 1.691 177.834 176.300 -0.261 0.000 0.980 286 D CA 0.359 54.161 54.000 -0.331 0.000 0.907 286 D CB -1.607 39.213 40.800 0.033 0.000 0.899 286 D HN 0.431 nan 8.370 nan 0.000 0.527 287 W N 1.652 122.757 121.300 -0.324 0.000 2.341 287 W HA -0.145 4.514 4.660 -0.002 0.000 0.283 287 W C 0.861 177.305 176.519 -0.125 0.000 1.215 287 W CA 0.450 57.642 57.345 -0.255 0.000 1.211 287 W CB -1.042 28.188 29.460 -0.384 0.000 1.131 287 W HN -0.105 nan 8.180 nan 0.000 0.552 288 N N 1.420 119.425 118.700 -1.159 0.000 2.272 288 N HA -0.152 4.587 4.740 -0.002 0.000 0.185 288 N C 1.654 176.943 175.510 -0.368 0.000 1.014 288 N CA 1.756 54.152 53.050 -1.090 0.000 0.870 288 N CB -0.263 37.466 38.487 -1.263 0.000 0.975 288 N HN 0.182 nan 8.380 nan 0.000 0.433 289 V N 0.392 120.179 119.914 -0.211 0.000 3.650 289 V HA 0.018 4.137 4.120 -0.002 0.000 0.271 289 V C -0.006 176.225 176.094 0.229 0.000 1.281 289 V CA 0.293 62.664 62.300 0.120 0.000 1.120 289 V CB 0.083 32.013 31.823 0.178 0.000 0.856 289 V HN 0.016 nan 8.190 nan 0.000 0.443 290 D N 0.518 121.057 120.400 0.232 0.000 2.500 290 D HA 0.150 4.789 4.640 -0.002 0.000 0.219 290 D C 1.190 177.701 176.300 0.352 0.000 1.137 290 D CA -0.134 54.071 54.000 0.341 0.000 0.946 290 D CB 0.905 41.942 40.800 0.394 0.000 1.022 290 D HN 0.340 nan 8.370 nan 0.000 0.518 291 K N 0.499 121.072 120.400 0.287 0.000 2.209 291 K HA -0.082 4.236 4.320 -0.002 0.000 0.204 291 K C 1.837 178.538 176.600 0.170 0.000 1.048 291 K CA 0.740 57.156 56.287 0.214 0.000 0.940 291 K CB 0.220 32.823 32.500 0.172 0.000 0.729 291 K HN 0.131 nan 8.250 nan 0.000 0.451 292 S N 0.634 116.480 115.700 0.243 0.000 2.357 292 S HA -0.128 4.340 4.470 -0.002 0.000 0.221 292 S C 1.361 175.850 174.600 -0.185 0.000 1.031 292 S CA 0.613 58.878 58.200 0.109 0.000 0.982 292 S CB -0.268 63.131 63.200 0.332 0.000 0.853 292 S HN 0.471 nan 8.310 nan 0.000 0.458 293 W N 2.083 123.320 121.300 -0.104 0.000 2.342 293 W HA -0.066 4.593 4.660 -0.002 0.000 0.297 293 W C 1.588 178.081 176.519 -0.042 0.000 1.213 293 W CA 1.032 58.332 57.345 -0.075 0.000 1.251 293 W CB -0.387 29.157 29.460 0.140 0.000 1.136 293 W HN 0.275 nan 8.180 nan 0.000 0.526 294 I N 0.542 121.269 120.570 0.262 0.000 2.500 294 I HA -0.200 3.968 4.170 -0.002 0.000 0.252 294 I C 2.632 178.759 176.117 0.017 0.000 1.142 294 I CA 1.162 62.589 61.300 0.212 0.000 1.451 294 I CB -0.770 37.408 38.000 0.297 0.000 1.093 294 I HN -0.146 nan 8.210 nan 0.000 0.430 295 A N 0.702 123.467 122.820 -0.092 0.000 1.930 295 A HA -0.069 4.250 4.320 -0.002 0.000 0.217 295 A C 2.517 179.924 177.584 -0.295 0.000 1.175 295 A CA 1.549 53.446 52.037 -0.233 0.000 0.627 295 A CB -0.672 18.087 19.000 -0.403 0.000 0.815 295 A HN 0.388 nan 8.150 nan 0.000 0.443 296 A N -0.120 122.505 122.820 -0.324 0.000 1.933 296 A HA 0.195 4.514 4.320 -0.002 0.000 0.218 296 A C 2.433 179.893 177.584 -0.207 0.000 1.175 296 A CA 1.889 53.764 52.037 -0.271 0.000 0.628 296 A CB -0.820 17.881 19.000 -0.499 0.000 0.814 296 A HN 0.970 nan 8.150 nan 0.000 0.444 297 A N 0.022 122.725 122.820 -0.195 0.000 1.929 297 A HA -0.140 4.179 4.320 -0.002 0.000 0.216 297 A C 1.980 179.554 177.584 -0.017 0.000 1.176 297 A CA 1.397 53.386 52.037 -0.081 0.000 0.628 297 A CB -0.555 18.445 19.000 -0.001 0.000 0.816 297 A HN 0.581 nan 8.150 nan 0.000 0.444 298 N N 0.130 118.813 118.700 -0.028 0.000 2.120 298 N HA -0.084 4.655 4.740 -0.002 0.000 0.188 298 N C 1.730 177.222 175.510 -0.030 0.000 1.024 298 N CA 1.320 54.362 53.050 -0.014 0.000 0.852 298 N CB -0.270 38.201 38.487 -0.027 0.000 1.003 298 N HN 0.444 nan 8.380 nan 0.000 0.424 299 L N 0.877 122.061 121.223 -0.065 0.000 2.093 299 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 299 L C 2.244 179.104 176.870 -0.016 0.000 1.085 299 L CA 1.015 55.822 54.840 -0.055 0.000 0.755 299 L CB -0.790 41.228 42.059 -0.069 0.000 0.904 299 L HN 0.158 nan 8.230 nan 0.000 0.435 300 T N 0.137 114.701 114.554 0.016 0.000 2.699 300 T HA -0.236 4.113 4.350 -0.002 0.000 0.268 300 T C 1.966 176.705 174.700 0.064 0.000 1.036 300 T CA 1.504 63.653 62.100 0.081 0.000 1.147 300 T CB -0.192 68.760 68.868 0.141 0.000 0.862 300 T HN 0.482 nan 8.240 nan 0.000 0.446 301 A N 0.935 123.786 122.820 0.051 0.000 1.902 301 A HA -0.028 4.291 4.320 -0.002 0.000 0.217 301 A C 2.263 179.857 177.584 0.017 0.000 1.181 301 A CA 1.273 53.339 52.037 0.049 0.000 0.623 301 A CB -0.712 18.316 19.000 0.047 0.000 0.818 301 A HN 0.552 nan 8.150 nan 0.000 0.443 302 I N -0.546 120.021 120.570 -0.004 0.000 2.142 302 I HA -0.215 3.954 4.170 -0.002 0.000 0.240 302 I C 2.350 178.437 176.117 -0.051 0.000 1.078 302 I CA 1.188 62.478 61.300 -0.017 0.000 1.343 302 I CB -0.620 37.362 38.000 -0.029 0.000 1.046 302 I HN 0.136 nan 8.210 nan 0.000 0.405 303 V N 0.879 120.731 119.914 -0.103 0.000 2.278 303 V HA -0.350 3.769 4.120 -0.002 0.000 0.251 303 V C 2.450 178.384 176.094 -0.267 0.000 1.062 303 V CA 2.324 64.485 62.300 -0.232 0.000 1.038 303 V CB -0.557 31.046 31.823 -0.366 0.000 0.646 303 V HN 0.424 nan 8.190 nan 0.000 0.447 304 M N -0.724 118.775 119.600 -0.168 0.000 2.349 304 M HA 0.013 4.492 4.480 -0.002 0.000 0.266 304 M C 2.295 178.608 176.300 0.022 0.000 1.076 304 M CA 1.413 56.675 55.300 -0.063 0.000 1.126 304 M CB -0.462 32.191 32.600 0.089 0.000 1.392 304 M HN 0.373 nan 8.290 nan 0.000 0.440 305 A N 0.433 123.287 122.820 0.056 0.000 1.902 305 A HA -0.202 4.116 4.320 -0.002 0.000 0.217 305 A C 2.309 179.954 177.584 0.101 0.000 1.181 305 A CA 1.887 54.033 52.037 0.183 0.000 0.623 305 A CB -1.216 17.892 19.000 0.180 0.000 0.818 305 A HN 0.769 nan 8.150 nan 0.000 0.443 306 C N -0.552 118.754 119.300 0.010 0.000 2.562 306 C HA 0.454 4.912 4.460 -0.002 0.000 0.266 306 C C 1.198 176.147 174.990 -0.069 0.000 1.382 306 C CA 0.050 59.053 59.018 -0.025 0.000 1.742 306 C CB -1.541 26.178 27.740 -0.036 0.000 1.812 306 C HN 0.649 nan 8.230 nan 0.000 0.559 307 R N -0.789 119.659 120.500 -0.087 0.000 2.905 307 R HA 0.519 4.858 4.340 -0.002 0.000 0.260 307 R C -1.073 175.165 176.300 -0.103 0.000 1.086 307 R CA -0.590 55.447 56.100 -0.104 0.000 0.978 307 R CB 0.326 30.553 30.300 -0.121 0.000 1.215 307 R HN 0.020 nan 8.270 nan 0.000 0.480 308 Q N 2.284 122.021 119.800 -0.106 0.000 2.423 308 Q HA 0.296 4.635 4.340 -0.002 0.000 0.235 308 Q C -2.007 173.942 176.000 -0.085 0.000 1.100 308 Q CA -1.764 53.980 55.803 -0.097 0.000 0.908 308 Q CB 1.205 29.884 28.738 -0.099 0.000 1.312 308 Q HN 0.460 nan 8.270 nan 0.000 0.497 309 P HA 0.307 nan 4.420 nan 0.000 0.277 309 P C -2.505 174.749 177.300 -0.077 0.000 1.271 309 P CA -1.614 61.480 63.100 -0.010 0.000 0.795 309 P CB -0.277 31.500 31.700 0.129 0.000 1.101 310 P HA 0.036 nan 4.420 nan 0.000 0.265 310 P C -0.441 176.810 177.300 -0.081 0.000 1.193 310 P CA 0.137 63.173 63.100 -0.106 0.000 0.765 310 P CB 0.088 31.668 31.700 -0.200 0.000 0.823 311 V N 4.394 124.239 119.914 -0.115 0.000 2.637 311 V HA 0.065 4.184 4.120 -0.002 0.000 0.296 311 V C 0.506 176.512 176.094 -0.146 0.000 1.046 311 V CA 0.002 62.177 62.300 -0.208 0.000 1.066 311 V CB -0.608 31.161 31.823 -0.090 0.000 0.968 311 V HN 0.326 nan 8.190 nan 0.000 0.483 312 F N 2.555 122.402 119.950 -0.172 0.000 2.518 312 F HA 0.428 4.954 4.527 -0.002 0.000 0.359 312 F C 1.049 176.807 175.800 -0.069 0.000 1.118 312 F CA -0.280 57.610 58.000 -0.184 0.000 1.287 312 F CB 0.197 38.967 39.000 -0.384 0.000 1.132 312 F HN 0.616 nan 8.300 nan 0.000 0.587 313 A N 3.462 126.391 122.820 0.181 0.000 2.565 313 A HA -0.017 4.302 4.320 -0.002 0.000 0.237 313 A C 1.527 179.157 177.584 0.077 0.000 1.053 313 A CA -0.352 51.744 52.037 0.098 0.000 0.755 313 A CB -0.080 18.956 19.000 0.060 0.000 0.980 313 A HN 0.839 nan 8.150 nan 0.000 0.506 314 N N 1.300 120.039 118.700 0.066 0.000 2.132 314 N HA -0.208 4.531 4.740 -0.002 0.000 0.191 314 N C 1.668 177.190 175.510 0.020 0.000 1.015 314 N CA 2.055 55.139 53.050 0.056 0.000 0.864 314 N CB -0.201 38.318 38.487 0.054 0.000 1.006 314 N HN 0.834 nan 8.380 nan 0.000 0.430 315 Q N -0.469 119.334 119.800 0.006 0.000 2.226 315 Q HA -0.022 4.317 4.340 -0.002 0.000 0.204 315 Q C 2.023 177.993 176.000 -0.051 0.000 0.975 315 Q CA 1.154 56.947 55.803 -0.017 0.000 0.866 315 Q CB -0.233 28.494 28.738 -0.017 0.000 0.915 315 Q HN 0.408 nan 8.270 nan 0.000 0.440 316 G N 0.486 109.245 108.800 -0.067 0.000 2.471 316 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.219 316 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.219 316 G C 0.632 175.397 174.900 -0.226 0.000 1.125 316 G CA 0.891 45.903 45.100 -0.147 0.000 0.775 316 G HN 0.262 nan 8.290 nan 0.000 0.548 317 V N -1.298 118.522 119.914 -0.156 0.000 2.919 317 V HA 0.717 4.836 4.120 -0.002 0.000 0.316 317 V C 0.404 176.458 176.094 -0.067 0.000 1.077 317 V CA -2.066 60.147 62.300 -0.145 0.000 0.977 317 V CB 1.767 33.542 31.823 -0.079 0.000 1.039 317 V HN 0.337 nan 8.190 nan 0.000 0.441 318 I N 0.580 121.115 120.570 -0.058 0.000 2.892 318 I HA 0.285 4.454 4.170 -0.002 0.000 0.287 318 I C 1.285 177.409 176.117 0.012 0.000 1.205 318 I CA -0.008 61.285 61.300 -0.013 0.000 1.409 318 I CB 0.145 38.155 38.000 0.017 0.000 1.367 318 I HN 0.683 nan 8.210 nan 0.000 0.597 319 N N 3.556 122.275 118.700 0.032 0.000 2.091 319 N HA -0.251 4.488 4.740 -0.002 0.000 0.193 319 N C 1.469 177.028 175.510 0.082 0.000 1.021 319 N CA 1.918 54.998 53.050 0.050 0.000 0.862 319 N CB -0.565 37.949 38.487 0.045 0.000 1.018 319 N HN 0.713 nan 8.380 nan 0.000 0.429 320 Q N -0.214 119.652 119.800 0.110 0.000 2.364 320 Q HA 0.185 4.523 4.340 -0.002 0.000 0.207 320 Q C 1.536 177.657 176.000 0.201 0.000 0.970 320 Q CA 1.183 57.100 55.803 0.190 0.000 0.888 320 Q CB 0.017 28.894 28.738 0.232 0.000 0.951 320 Q HN 0.443 nan 8.270 nan 0.000 0.469 321 A N -0.095 122.694 122.820 -0.051 0.000 2.275 321 A HA 0.049 4.368 4.320 -0.002 0.000 0.212 321 A C 0.437 178.115 177.584 0.157 0.000 1.201 321 A CA -0.117 51.710 52.037 -0.350 0.000 0.843 321 A CB 0.164 18.735 19.000 -0.714 0.000 0.873 321 A HN 0.245 nan 8.150 nan 0.000 0.492 322 Q N 0.238 120.131 119.800 0.154 0.000 2.368 322 Q HA 0.212 4.550 4.340 -0.002 0.000 0.237 322 Q C -0.344 175.754 176.000 0.163 0.000 0.987 322 Q CA -0.596 55.300 55.803 0.156 0.000 0.896 322 Q CB 0.313 29.112 28.738 0.101 0.000 1.241 322 Q HN 0.461 nan 8.270 nan 0.000 0.485 323 N N 0.996 119.768 118.700 0.120 0.000 2.727 323 N HA -0.194 4.544 4.740 -0.002 0.000 0.249 323 N C -1.019 174.501 175.510 0.016 0.000 1.048 323 N CA 0.765 53.857 53.050 0.070 0.000 0.714 323 N CB -0.717 37.808 38.487 0.064 0.000 0.959 323 N HN 0.399 nan 8.380 nan 0.000 0.544 324 R N 1.156 121.642 120.500 -0.025 0.000 2.215 324 R HA 0.375 4.714 4.340 -0.002 0.000 0.336 324 R C -2.492 173.714 176.300 -0.157 0.000 0.996 324 R CA -1.891 54.036 56.100 -0.289 0.000 0.847 324 R CB 0.711 30.517 30.300 -0.822 0.000 1.127 324 R HN -0.066 nan 8.270 nan 0.000 0.465 325 P HA 0.084 nan 4.420 nan 0.000 0.262 325 P C 0.438 177.691 177.300 -0.078 0.000 1.182 325 P CA 1.071 64.122 63.100 -0.082 0.000 0.761 325 P CB 0.859 32.514 31.700 -0.076 0.000 0.795 326 G N 1.747 110.523 108.800 -0.040 0.000 2.253 326 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.251 326 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.251 326 G C 0.507 175.412 174.900 0.008 0.000 0.998 326 G CA 0.348 45.428 45.100 -0.033 0.000 0.621 326 G HN 0.530 nan 8.290 nan 0.000 0.524 327 F N 1.767 121.631 119.950 -0.143 0.000 2.522 327 F HA 0.492 5.018 4.527 -0.002 0.000 0.275 327 F C 1.140 176.949 175.800 0.016 0.000 0.890 327 F CA 1.330 59.277 58.000 -0.088 0.000 1.157 327 F CB 0.541 39.474 39.000 -0.113 0.000 1.117 327 F HN 0.376 nan 8.300 nan 0.000 0.787 328 S N 1.891 117.766 115.700 0.291 0.000 2.542 328 S HA 0.752 5.220 4.470 -0.002 0.000 0.293 328 S C -0.671 173.998 174.600 0.115 0.000 1.089 328 S CA -0.562 57.773 58.200 0.225 0.000 0.961 328 S CB 2.160 65.578 63.200 0.364 0.000 1.062 328 S HN 0.451 nan 8.310 nan 0.000 0.483 329 M N 0.261 119.913 119.600 0.087 0.000 2.895 329 M HA 0.521 5.000 4.480 -0.002 0.000 0.271 329 M C -2.202 174.130 176.300 0.053 0.000 1.174 329 M CA -0.831 54.502 55.300 0.056 0.000 0.816 329 M CB 1.296 33.915 32.600 0.031 0.000 1.647 329 M HN 0.379 nan 8.290 nan 0.000 0.506 330 N N 1.197 119.921 118.700 0.041 0.000 2.431 330 N HA 0.371 5.110 4.740 -0.002 0.000 0.265 330 N C 0.730 176.260 175.510 0.034 0.000 1.184 330 N CA 1.621 54.693 53.050 0.037 0.000 0.943 330 N CB 0.978 39.483 38.487 0.030 0.000 1.080 330 N HN 1.038 nan 8.380 nan 0.000 0.477 331 G N 1.242 110.064 108.800 0.038 0.000 2.132 331 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.228 331 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.228 331 G C 0.606 175.535 174.900 0.048 0.000 1.000 331 G CA -0.074 45.048 45.100 0.038 0.000 0.693 331 G HN 0.812 nan 8.290 nan 0.000 0.515 332 G N -0.800 108.036 108.800 0.060 0.000 2.570 332 G HA2 0.515 4.473 3.960 -0.002 0.000 0.276 332 G HA3 0.515 4.473 3.960 -0.002 0.000 0.276 332 G C 0.452 175.422 174.900 0.117 0.000 1.346 332 G CA 0.439 45.586 45.100 0.078 0.000 1.034 332 G HN 0.679 nan 8.290 nan 0.000 0.512 333 T N 3.075 117.738 114.554 0.182 0.000 2.817 333 T HA 0.295 4.644 4.350 -0.002 0.000 0.295 333 T C -2.005 172.853 174.700 0.264 0.000 0.958 333 T CA -0.449 61.811 62.100 0.267 0.000 1.157 333 T CB 1.011 70.144 68.868 0.441 0.000 0.898 333 T HN 0.261 nan 8.240 nan 0.000 0.536 334 P HA 0.084 nan 4.420 nan 0.000 0.267 334 P C -0.665 176.647 177.300 0.020 0.000 1.201 334 P CA -0.247 62.856 63.100 0.006 0.000 0.775 334 P CB 0.433 32.054 31.700 -0.131 0.000 0.854 335 V N 3.707 123.579 119.914 -0.071 0.000 2.311 335 V HA 0.164 4.283 4.120 -0.002 0.000 0.275 335 V C 0.313 176.337 176.094 -0.117 0.000 1.022 335 V CA -0.424 61.863 62.300 -0.021 0.000 0.830 335 V CB -0.413 31.353 31.823 -0.095 0.000 1.012 335 V HN 0.520 nan 8.190 nan 0.000 0.452 336 H N 2.871 121.970 119.070 0.049 0.000 2.629 336 H HA 0.451 5.006 4.556 -0.002 0.000 0.357 336 H C 0.374 175.716 175.328 0.024 0.000 1.121 336 H CA -0.210 55.848 56.048 0.018 0.000 1.406 336 H CB 0.827 30.583 29.762 -0.010 0.000 1.456 336 H HN 0.778 nan 8.280 nan 0.000 0.579 337 E N 2.709 122.981 120.200 0.120 0.000 2.212 337 E HA 0.500 4.848 4.350 -0.002 0.000 0.268 337 E C -1.294 175.328 176.600 0.036 0.000 0.902 337 E CA -0.876 55.553 56.400 0.048 0.000 0.779 337 E CB 1.791 31.482 29.700 -0.015 0.000 1.172 337 E HN 0.373 nan 8.360 nan 0.000 0.409 338 L N 2.686 123.904 121.223 -0.009 0.000 2.325 338 L HA 0.346 4.685 4.340 -0.002 0.000 0.281 338 L C -0.045 176.754 176.870 -0.118 0.000 1.004 338 L CA -1.140 53.675 54.840 -0.042 0.000 0.823 338 L CB 1.519 43.584 42.059 0.010 0.000 1.236 338 L HN 0.636 nan 8.230 nan 0.000 0.415 339 N N 3.524 122.178 118.700 -0.075 0.000 2.452 339 N HA 0.072 4.810 4.740 -0.002 0.000 0.266 339 N C 0.751 176.226 175.510 -0.058 0.000 1.209 339 N CA 0.133 53.140 53.050 -0.073 0.000 0.929 339 N CB 1.205 39.678 38.487 -0.024 0.000 1.063 339 N HN 0.639 nan 8.380 nan 0.000 0.472 340 L N 3.205 124.389 121.223 -0.065 0.000 2.291 340 L HA -0.109 4.230 4.340 -0.002 0.000 0.214 340 L C 1.989 178.874 176.870 0.025 0.000 1.120 340 L CA 0.379 55.212 54.840 -0.012 0.000 0.799 340 L CB -0.189 41.870 42.059 -0.000 0.000 0.925 340 L HN 0.501 nan 8.230 nan 0.000 0.446 341 L N -0.477 120.775 121.223 0.049 0.000 2.068 341 L HA -0.069 4.269 4.340 -0.002 0.000 0.204 341 L C 2.403 179.269 176.870 -0.007 0.000 1.076 341 L CA 1.818 56.687 54.840 0.047 0.000 0.753 341 L CB -0.625 41.489 42.059 0.091 0.000 0.910 341 L HN 0.029 nan 8.230 nan 0.000 0.439 342 T N -0.809 113.741 114.554 -0.007 0.000 2.778 342 T HA -0.185 4.164 4.350 -0.002 0.000 0.269 342 T C 1.656 176.312 174.700 -0.073 0.000 1.050 342 T CA 1.931 64.013 62.100 -0.031 0.000 1.137 342 T CB -0.483 68.373 68.868 -0.021 0.000 0.860 342 T HN 0.452 nan 8.240 nan 0.000 0.468 343 T N 1.459 115.960 114.554 -0.088 0.000 2.896 343 T HA 0.154 4.503 4.350 -0.002 0.000 0.263 343 T C 2.442 176.993 174.700 -0.248 0.000 1.050 343 T CA 0.849 62.860 62.100 -0.149 0.000 1.140 343 T CB -0.422 68.382 68.868 -0.107 0.000 0.877 343 T HN 0.429 nan 8.240 nan 0.000 0.457 344 A N 1.866 124.557 122.820 -0.216 0.000 1.865 344 A HA -0.212 4.107 4.320 -0.002 0.000 0.217 344 A C 2.265 179.710 177.584 -0.232 0.000 1.191 344 A CA 1.733 53.627 52.037 -0.239 0.000 0.623 344 A CB -0.834 18.093 19.000 -0.122 0.000 0.826 344 A HN 0.544 nan 8.150 nan 0.000 0.444 345 Q N -0.809 118.904 119.800 -0.146 0.000 2.112 345 Q HA -0.215 4.123 4.340 -0.002 0.000 0.206 345 Q C 1.992 177.901 176.000 -0.150 0.000 0.987 345 Q CA 1.577 57.308 55.803 -0.120 0.000 0.858 345 Q CB -0.198 28.498 28.738 -0.070 0.000 0.905 345 Q HN 0.615 nan 8.270 nan 0.000 0.420 346 E N -0.015 120.085 120.200 -0.167 0.000 2.107 346 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 346 E C 2.080 178.531 176.600 -0.249 0.000 0.982 346 E CA 0.566 56.864 56.400 -0.169 0.000 0.809 346 E CB -0.346 29.269 29.700 -0.141 0.000 0.756 346 E HN 0.364 nan 8.360 nan 0.000 0.459 347 C N 0.702 119.780 119.300 -0.370 0.000 2.446 347 C HA -0.059 4.400 4.460 -0.002 0.000 0.277 347 C C 2.696 177.182 174.990 -0.840 0.000 1.275 347 C CA 0.312 58.972 59.018 -0.595 0.000 1.727 347 C CB -1.078 26.240 27.740 -0.704 0.000 2.010 347 C HN 0.317 nan 8.230 nan 0.000 0.486 348 I N 0.621 120.816 120.570 -0.625 0.000 2.286 348 I HA -0.165 4.003 4.170 -0.002 0.000 0.248 348 I C 2.874 178.928 176.117 -0.106 0.000 1.115 348 I CA 1.772 62.850 61.300 -0.369 0.000 1.392 348 I CB -0.618 37.272 38.000 -0.183 0.000 1.065 348 I HN 0.397 nan 8.210 nan 0.000 0.418 349 R N 0.558 120.983 120.500 -0.125 0.000 2.093 349 R HA -0.133 4.206 4.340 -0.002 0.000 0.224 349 R C 2.252 178.542 176.300 -0.016 0.000 1.101 349 R CA 0.949 57.020 56.100 -0.047 0.000 0.979 349 R CB 0.009 30.272 30.300 -0.062 0.000 0.877 349 R HN 0.303 nan 8.270 nan 0.000 0.441 350 Q N -0.198 119.566 119.800 -0.060 0.000 2.124 350 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 350 Q C 1.737 177.838 176.000 0.169 0.000 0.977 350 Q CA 1.258 57.068 55.803 0.011 0.000 0.850 350 Q CB -0.209 28.507 28.738 -0.037 0.000 0.901 350 Q HN 0.461 nan 8.270 nan 0.000 0.429 351 W N 0.211 121.500 121.300 -0.019 0.000 2.363 351 W HA -0.085 4.573 4.660 -0.002 0.000 0.296 351 W C 2.259 178.764 176.519 -0.023 0.000 1.212 351 W CA 0.261 57.596 57.345 -0.018 0.000 1.260 351 W CB -1.117 28.340 29.460 -0.006 0.000 1.131 351 W HN -0.076 nan 8.180 nan 0.000 0.530 352 V N 0.457 120.490 119.914 0.198 0.000 2.343 352 V HA -0.338 3.781 4.120 -0.002 0.000 0.247 352 V C 2.246 178.377 176.094 0.063 0.000 1.051 352 V CA 1.970 64.331 62.300 0.101 0.000 1.036 352 V CB -0.831 31.030 31.823 0.064 0.000 0.654 352 V HN 0.087 nan 8.190 nan 0.000 0.451 353 M N -0.022 119.612 119.600 0.057 0.000 2.059 353 M HA -0.124 4.354 4.480 -0.002 0.000 0.259 353 M C 2.404 178.720 176.300 0.027 0.000 1.072 353 M CA 2.189 57.508 55.300 0.032 0.000 1.117 353 M CB -0.646 31.967 32.600 0.022 0.000 1.320 353 M HN 0.351 nan 8.290 nan 0.000 0.408 354 A N -0.057 122.788 122.820 0.043 0.000 2.084 354 A HA -0.029 4.290 4.320 -0.002 0.000 0.221 354 A C 1.761 179.341 177.584 -0.006 0.000 1.161 354 A CA 1.593 53.639 52.037 0.015 0.000 0.653 354 A CB -1.344 17.672 19.000 0.026 0.000 0.802 354 A HN 0.812 nan 8.150 nan 0.000 0.457 355 G N -2.285 106.521 108.800 0.010 0.000 2.132 355 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.228 355 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.228 355 G C 0.547 175.429 174.900 -0.030 0.000 1.000 355 G CA 0.400 45.496 45.100 -0.007 0.000 0.693 355 G HN 0.523 nan 8.290 nan 0.000 0.515 356 L N -0.505 120.695 121.223 -0.037 0.000 2.418 356 L HA 0.333 4.672 4.340 -0.002 0.000 0.218 356 L C 1.348 178.166 176.870 -0.086 0.000 1.125 356 L CA 1.109 55.884 54.840 -0.108 0.000 0.835 356 L CB 0.129 42.052 42.059 -0.227 0.000 0.953 356 L HN 0.506 nan 8.230 nan 0.000 0.454 357 V N -5.217 114.692 119.914 -0.008 0.000 2.876 357 V HA 0.541 4.660 4.120 -0.002 0.000 0.312 357 V C 0.090 176.199 176.094 0.026 0.000 1.085 357 V CA -1.101 61.209 62.300 0.018 0.000 0.945 357 V CB 1.502 33.379 31.823 0.090 0.000 1.017 357 V HN 0.011 nan 8.190 nan 0.000 0.428 358 S N 2.301 118.010 115.700 0.015 0.000 2.558 358 S HA 0.340 4.808 4.470 -0.002 0.000 0.287 358 S C 1.507 176.123 174.600 0.027 0.000 1.321 358 S CA 0.150 58.359 58.200 0.015 0.000 1.048 358 S CB 1.116 64.321 63.200 0.009 0.000 0.844 358 S HN 1.713 nan 8.310 nan 0.000 0.512 359 A N 1.608 124.441 122.820 0.020 0.000 2.178 359 A HA 0.148 4.467 4.320 -0.002 0.000 0.218 359 A C 1.970 179.566 177.584 0.019 0.000 1.157 359 A CA 1.268 53.318 52.037 0.021 0.000 0.689 359 A CB -0.723 18.285 19.000 0.014 0.000 0.787 359 A HN 0.964 nan 8.150 nan 0.000 0.465 360 A N -0.880 121.950 122.820 0.017 0.000 2.140 360 A HA 0.226 4.545 4.320 -0.002 0.000 0.209 360 A C 1.893 179.489 177.584 0.020 0.000 1.181 360 A CA 1.311 53.357 52.037 0.015 0.000 0.824 360 A CB -0.089 18.917 19.000 0.010 0.000 0.879 360 A HN 0.326 nan 8.150 nan 0.000 0.480 361 K N 0.585 121.000 120.400 0.026 0.000 2.103 361 K HA 0.008 4.327 4.320 -0.002 0.000 0.204 361 K C 1.597 178.230 176.600 0.054 0.000 1.052 361 K CA 1.558 57.867 56.287 0.036 0.000 0.945 361 K CB -0.757 31.764 32.500 0.035 0.000 0.722 361 K HN 0.262 nan 8.250 nan 0.000 0.443 362 G N -0.148 108.687 108.800 0.059 0.000 2.956 362 G HA2 -0.096 3.863 3.960 -0.002 0.000 0.207 362 G HA3 -0.096 3.863 3.960 -0.002 0.000 0.207 362 G C 0.990 175.910 174.900 0.033 0.000 1.162 362 G CA 0.006 45.144 45.100 0.062 0.000 0.796 362 G HN 0.391 nan 8.290 nan 0.000 0.527 363 Q N -0.589 119.228 119.800 0.027 0.000 2.481 363 Q HA 0.281 4.620 4.340 -0.002 0.000 0.219 363 Q C 2.922 178.934 176.000 0.019 0.000 0.920 363 Q CA 0.506 56.319 55.803 0.017 0.000 0.915 363 Q CB 0.099 28.845 28.738 0.013 0.000 1.057 363 Q HN 0.344 nan 8.270 nan 0.000 0.581 364 A N 1.300 124.134 122.820 0.023 0.000 1.892 364 A HA -0.213 4.106 4.320 -0.002 0.000 0.218 364 A C 2.031 179.632 177.584 0.028 0.000 1.188 364 A CA 1.357 53.408 52.037 0.024 0.000 0.631 364 A CB -0.844 18.171 19.000 0.025 0.000 0.822 364 A HN 0.294 nan 8.150 nan 0.000 0.447 365 L N -1.003 120.243 121.223 0.038 0.000 2.027 365 L HA -0.150 4.189 4.340 -0.002 0.000 0.206 365 L C 2.840 179.721 176.870 0.019 0.000 1.074 365 L CA 1.791 56.655 54.840 0.041 0.000 0.745 365 L CB -0.805 41.302 42.059 0.080 0.000 0.898 365 L HN 0.385 nan 8.230 nan 0.000 0.433 366 T N -1.261 113.299 114.554 0.010 0.000 2.759 366 T HA -0.216 4.133 4.350 -0.002 0.000 0.269 366 T C 1.919 176.625 174.700 0.010 0.000 1.042 366 T CA 1.039 63.138 62.100 -0.002 0.000 1.140 366 T CB -0.112 68.752 68.868 -0.008 0.000 0.864 366 T HN 0.248 nan 8.240 nan 0.000 0.455 367 Q N 1.085 120.894 119.800 0.015 0.000 2.016 367 Q HA -0.078 4.261 4.340 -0.002 0.000 0.200 367 Q C 2.340 178.360 176.000 0.034 0.000 0.978 367 Q CA 1.453 57.268 55.803 0.020 0.000 0.833 367 Q CB -0.375 28.373 28.738 0.017 0.000 0.895 367 Q HN 0.666 nan 8.270 nan 0.000 0.427 368 E N 0.507 120.729 120.200 0.036 0.000 2.171 368 E HA -0.190 4.159 4.350 -0.002 0.000 0.197 368 E C 1.806 178.454 176.600 0.080 0.000 0.997 368 E CA 1.142 57.572 56.400 0.050 0.000 0.810 368 E CB -0.100 29.618 29.700 0.030 0.000 0.738 368 E HN 0.334 nan 8.360 nan 0.000 0.467 369 A N 1.603 124.459 122.820 0.062 0.000 1.840 369 A HA -0.183 4.136 4.320 -0.002 0.000 0.214 369 A C 1.864 179.521 177.584 0.122 0.000 1.198 369 A CA 1.332 53.422 52.037 0.089 0.000 0.608 369 A CB -0.499 18.522 19.000 0.035 0.000 0.839 369 A HN 0.106 nan 8.150 nan 0.000 0.443 370 N N 0.990 119.729 118.700 0.064 0.000 2.049 370 N HA -0.198 4.541 4.740 -0.002 0.000 0.198 370 N C 1.200 176.733 175.510 0.039 0.000 1.030 370 N CA 1.931 55.004 53.050 0.039 0.000 0.870 370 N CB -0.702 37.793 38.487 0.014 0.000 1.045 370 N HN 0.483 nan 8.380 nan 0.000 0.434 371 D N -0.416 120.018 120.400 0.057 0.000 2.133 371 D HA -0.144 4.495 4.640 -0.002 0.000 0.195 371 D C 1.694 178.043 176.300 0.082 0.000 0.997 371 D CA 0.683 54.716 54.000 0.055 0.000 0.840 371 D CB -0.454 40.386 40.800 0.067 0.000 0.947 371 D HN 0.299 nan 8.370 nan 0.000 0.452 372 F N 0.418 120.366 119.950 -0.004 0.000 2.259 372 F HA -0.063 4.463 4.527 -0.002 0.000 0.298 372 F C 2.419 178.219 175.800 -0.000 0.000 1.088 372 F CA 0.899 58.904 58.000 0.009 0.000 1.358 372 F CB -0.080 38.937 39.000 0.029 0.000 1.040 372 F HN -0.175 nan 8.300 nan 0.000 0.505 373 S N 0.612 116.345 115.700 0.055 0.000 2.343 373 S HA -0.213 4.256 4.470 -0.002 0.000 0.219 373 S C 1.944 176.400 174.600 -0.241 0.000 1.033 373 S CA 1.769 59.938 58.200 -0.051 0.000 1.014 373 S CB -0.506 62.715 63.200 0.034 0.000 0.915 373 S HN 0.491 nan 8.310 nan 0.000 0.435 374 N N 1.531 120.109 118.700 -0.204 0.000 2.137 374 N HA -0.104 4.635 4.740 -0.002 0.000 0.190 374 N C 1.753 177.110 175.510 -0.255 0.000 1.017 374 N CA 1.089 53.989 53.050 -0.250 0.000 0.859 374 N CB -0.726 37.665 38.487 -0.159 0.000 1.002 374 N HN 0.429 nan 8.380 nan 0.000 0.428 375 L N 0.466 121.549 121.223 -0.233 0.000 1.994 375 L HA -0.090 4.248 4.340 -0.002 0.000 0.208 375 L C 1.940 178.636 176.870 -0.290 0.000 1.071 375 L CA 1.158 55.858 54.840 -0.234 0.000 0.745 375 L CB -0.158 41.765 42.059 -0.227 0.000 0.892 375 L HN 0.034 nan 8.230 nan 0.000 0.431 376 I N -0.167 120.141 120.570 -0.437 0.000 2.394 376 I HA -0.275 3.894 4.170 -0.002 0.000 0.251 376 I C 2.474 178.464 176.117 -0.212 0.000 1.136 376 I CA 1.362 62.452 61.300 -0.350 0.000 1.425 376 I CB -1.036 36.677 38.000 -0.478 0.000 1.079 376 I HN 0.564 nan 8.210 nan 0.000 0.425 377 Q N 0.944 120.503 119.800 -0.402 0.000 2.167 377 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 377 Q C 2.244 178.041 176.000 -0.338 0.000 0.970 377 Q CA 1.812 57.189 55.803 -0.709 0.000 0.855 377 Q CB 0.101 28.017 28.738 -1.369 0.000 0.911 377 Q HN 0.451 nan 8.270 nan 0.000 0.438 378 A N 1.184 123.856 122.820 -0.246 0.000 1.873 378 A HA -0.182 4.137 4.320 -0.002 0.000 0.215 378 A C 1.643 179.205 177.584 -0.037 0.000 1.186 378 A CA 1.604 53.562 52.037 -0.132 0.000 0.616 378 A CB -0.491 18.436 19.000 -0.122 0.000 0.823 378 A HN 0.508 nan 8.150 nan 0.000 0.442 379 D N 0.290 120.679 120.400 -0.019 0.000 2.178 379 D HA -0.092 4.547 4.640 -0.002 0.000 0.202 379 D C 1.954 178.333 176.300 0.131 0.000 0.974 379 D CA 0.874 54.910 54.000 0.061 0.000 0.841 379 D CB -0.367 40.490 40.800 0.096 0.000 0.953 379 D HN 0.451 nan 8.370 nan 0.000 0.478 380 L N 0.805 122.106 121.223 0.131 0.000 2.056 380 L HA -0.028 4.311 4.340 -0.002 0.000 0.207 380 L C 2.671 179.762 176.870 0.368 0.000 1.078 380 L CA 1.265 56.234 54.840 0.216 0.000 0.749 380 L CB -0.845 41.286 42.059 0.119 0.000 0.901 380 L HN 0.079 nan 8.230 nan 0.000 0.433 381 G N -0.724 108.257 108.800 0.301 0.000 2.469 381 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.219 381 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.219 381 G C 1.514 176.481 174.900 0.113 0.000 1.150 381 G CA 0.408 45.638 45.100 0.216 0.000 0.763 381 G HN 0.277 nan 8.290 nan 0.000 0.561 382 Q N 0.235 120.090 119.800 0.092 0.000 2.061 382 Q HA -0.057 4.282 4.340 -0.002 0.000 0.204 382 Q C 2.791 178.837 176.000 0.076 0.000 0.984 382 Q CA 1.116 56.957 55.803 0.064 0.000 0.846 382 Q CB -0.388 28.383 28.738 0.055 0.000 0.902 382 Q HN 0.622 nan 8.270 nan 0.000 0.421 383 I N 0.722 121.366 120.570 0.122 0.000 2.179 383 I HA -0.276 3.893 4.170 -0.002 0.000 0.242 383 I C 2.584 178.749 176.117 0.079 0.000 1.088 383 I CA 1.191 62.569 61.300 0.129 0.000 1.357 383 I CB -0.344 37.768 38.000 0.187 0.000 1.051 383 I HN 0.174 nan 8.210 nan 0.000 0.409 384 K N 1.566 121.994 120.400 0.047 0.000 2.009 384 K HA -0.235 4.084 4.320 -0.002 0.000 0.210 384 K C 2.220 178.758 176.600 -0.103 0.000 1.049 384 K CA 1.847 58.037 56.287 -0.161 0.000 0.929 384 K CB -0.197 32.015 32.500 -0.479 0.000 0.714 384 K HN 0.296 nan 8.250 nan 0.000 0.440 385 A N 0.880 123.671 122.820 -0.048 0.000 1.898 385 A HA -0.190 4.128 4.320 -0.002 0.000 0.216 385 A C 2.071 179.636 177.584 -0.032 0.000 1.181 385 A CA 1.528 53.541 52.037 -0.039 0.000 0.620 385 A CB -0.509 18.480 19.000 -0.019 0.000 0.819 385 A HN 0.506 nan 8.150 nan 0.000 0.442 386 Q N -0.597 119.196 119.800 -0.013 0.000 2.016 386 Q HA -0.175 4.164 4.340 -0.002 0.000 0.200 386 Q C 1.674 177.651 176.000 -0.039 0.000 0.978 386 Q CA 1.465 57.254 55.803 -0.024 0.000 0.833 386 Q CB -0.286 28.460 28.738 0.014 0.000 0.895 386 Q HN 0.557 nan 8.270 nan 0.000 0.427 387 D N 0.816 121.247 120.400 0.052 0.000 2.104 387 D HA -0.155 4.484 4.640 -0.002 0.000 0.194 387 D C 1.434 177.791 176.300 0.094 0.000 0.994 387 D CA 1.218 55.318 54.000 0.166 0.000 0.830 387 D CB -0.251 40.661 40.800 0.187 0.000 0.959 387 D HN 0.156 nan 8.370 nan 0.000 0.452 388 D N -0.251 120.163 120.400 0.024 0.000 2.144 388 D HA -0.076 4.563 4.640 -0.002 0.000 0.199 388 D C 1.920 178.244 176.300 0.040 0.000 0.984 388 D CA 1.290 55.315 54.000 0.041 0.000 0.834 388 D CB -0.270 40.516 40.800 -0.023 0.000 0.955 388 D HN 0.184 nan 8.370 nan 0.000 0.465 389 A N 0.228 123.026 122.820 -0.036 0.000 1.872 389 A HA -0.023 4.296 4.320 -0.002 0.000 0.214 389 A C 2.311 179.815 177.584 -0.134 0.000 1.187 389 A CA 0.650 52.646 52.037 -0.069 0.000 0.614 389 A CB -0.648 18.305 19.000 -0.078 0.000 0.826 389 A HN 0.185 nan 8.150 nan 0.000 0.442 390 L N -1.937 119.122 121.223 -0.273 0.000 2.141 390 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 390 L C 2.555 179.194 176.870 -0.386 0.000 1.094 390 L CA 1.544 56.060 54.840 -0.541 0.000 0.763 390 L CB -0.566 40.768 42.059 -1.208 0.000 0.908 390 L HN 0.640 nan 8.230 nan 0.000 0.437 391 Y N 0.583 120.768 120.300 -0.192 0.000 2.184 391 Y HA -0.206 4.343 4.550 -0.002 0.000 0.290 391 Y C 2.587 178.509 175.900 0.036 0.000 1.129 391 Y CA 1.496 59.659 58.100 0.106 0.000 1.144 391 Y CB -0.209 38.373 38.460 0.204 0.000 0.995 391 Y HN 0.134 nan 8.280 nan 0.000 0.513 392 N N 0.297 118.949 118.700 -0.080 0.000 2.205 392 N HA -0.197 4.541 4.740 -0.002 0.000 0.186 392 N C 1.452 176.864 175.510 -0.164 0.000 1.015 392 N CA 1.984 54.955 53.050 -0.132 0.000 0.862 392 N CB -0.043 38.446 38.487 0.004 0.000 0.986 392 N HN 0.646 nan 8.380 nan 0.000 0.429 393 Q N -0.906 118.808 119.800 -0.143 0.000 2.511 393 Q HA 0.153 4.492 4.340 -0.002 0.000 0.236 393 Q C 0.316 176.249 176.000 -0.111 0.000 0.893 393 Q CA -0.052 55.682 55.803 -0.114 0.000 0.947 393 Q CB 0.684 29.364 28.738 -0.096 0.000 1.110 393 Q HN 0.250 nan 8.270 nan 0.000 0.591 394 Q N 1.971 121.701 119.800 -0.117 0.000 2.256 394 Q HA 0.243 4.581 4.340 -0.002 0.000 0.254 394 Q C -2.428 173.552 176.000 -0.032 0.000 0.916 394 Q CA -2.118 53.646 55.803 -0.065 0.000 0.932 394 Q CB 1.118 29.823 28.738 -0.056 0.000 1.207 394 Q HN -0.053 nan 8.270 nan 0.000 0.426 395 P HA 0.052 nan 4.420 nan 0.000 0.267 395 P C -0.132 177.191 177.300 0.039 0.000 1.209 395 P CA 0.591 63.684 63.100 -0.013 0.000 0.763 395 P CB 0.534 32.225 31.700 -0.016 0.000 0.816 396 G N 2.035 110.865 108.800 0.050 0.000 2.246 396 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.273 396 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.273 396 G C -0.345 174.613 174.900 0.096 0.000 1.055 396 G CA -0.408 44.737 45.100 0.075 0.000 0.851 396 G HN 0.548 nan 8.290 nan 0.000 0.500 397 Y N 0.839 121.154 120.300 0.026 0.000 2.316 397 Y HA 0.541 5.090 4.550 -0.002 0.000 0.331 397 Y C 0.483 176.428 175.900 0.075 0.000 1.083 397 Y CA -0.630 57.501 58.100 0.052 0.000 1.206 397 Y CB 0.977 39.479 38.460 0.071 0.000 1.195 397 Y HN 0.648 nan 8.280 nan 0.000 0.497 398 A N 7.965 130.326 122.820 -0.764 0.000 2.316 398 A HA 0.419 4.738 4.320 -0.002 0.000 0.311 398 A C -0.017 177.163 177.584 -0.675 0.000 1.339 398 A CA -0.772 50.924 52.037 -0.569 0.000 0.960 398 A CB -0.099 18.668 19.000 -0.388 0.000 1.152 398 A HN 0.912 nan 8.150 nan 0.000 0.547 399 R N 1.630 121.977 120.500 -0.256 0.000 2.585 399 R HA 0.065 4.403 4.340 -0.002 0.000 0.275 399 R C 0.692 177.000 176.300 0.013 0.000 1.018 399 R CA 0.165 56.250 56.100 -0.026 0.000 1.072 399 R CB 0.682 31.056 30.300 0.123 0.000 0.953 399 R HN 0.766 nan 8.270 nan 0.000 0.419 400 R N 1.853 122.380 120.500 0.045 0.000 2.200 400 R HA 0.117 4.456 4.340 -0.002 0.000 0.208 400 R C 0.762 177.125 176.300 0.105 0.000 1.033 400 R CA 0.846 56.986 56.100 0.067 0.000 1.000 400 R CB 0.045 30.391 30.300 0.077 0.000 0.906 400 R HN 0.577 nan 8.270 nan 0.000 0.462 401 I N -3.764 116.843 120.570 0.060 0.000 3.102 401 I HA 0.343 4.512 4.170 -0.002 0.000 0.310 401 I C -1.101 174.779 176.117 -0.395 0.000 1.246 401 I CA -1.499 59.778 61.300 -0.038 0.000 0.979 401 I CB 1.960 39.939 38.000 -0.035 0.000 1.267 401 I HN -0.296 nan 8.210 nan 0.000 0.451 402 K N 3.704 123.745 120.400 -0.599 0.000 2.472 402 K HA 0.205 4.524 4.320 -0.002 0.000 0.280 402 K C -2.152 174.219 176.600 -0.381 0.000 1.028 402 K CA -0.957 54.730 56.287 -1.001 0.000 1.045 402 K CB 0.268 32.604 32.500 -0.274 0.000 0.902 402 K HN 0.388 nan 8.250 nan 0.000 0.478 403 P HA -0.083 nan 4.420 nan 0.000 0.263 403 P C -0.882 176.404 177.300 -0.024 0.000 1.175 403 P CA 0.467 63.448 63.100 -0.199 0.000 0.761 403 P CB 0.069 31.661 31.700 -0.179 0.000 0.794 404 F N 1.514 121.403 119.950 -0.102 0.000 2.691 404 F HA 0.751 5.276 4.527 -0.002 0.000 0.334 404 F C -0.664 175.103 175.800 -0.054 0.000 1.107 404 F CA -1.563 56.387 58.000 -0.083 0.000 0.991 404 F CB 0.724 39.649 39.000 -0.124 0.000 1.400 404 F HN 0.234 nan 8.300 nan 0.000 0.503 405 V N -0.891 119.119 119.914 0.160 0.000 2.919 405 V HA 0.501 4.620 4.120 -0.002 0.000 0.316 405 V C 0.008 176.259 176.094 0.262 0.000 1.077 405 V CA -0.829 61.523 62.300 0.087 0.000 0.977 405 V CB 1.583 33.435 31.823 0.048 0.000 1.039 405 V HN 0.886 nan 8.190 nan 0.000 0.441 406 N N 2.186 121.024 118.700 0.229 0.000 2.457 406 N HA -0.006 4.733 4.740 -0.002 0.000 0.180 406 N C 1.762 177.455 175.510 0.305 0.000 1.050 406 N CA 1.334 54.615 53.050 0.386 0.000 0.906 406 N CB 0.086 38.742 38.487 0.282 0.000 0.968 406 N HN 1.002 nan 8.380 nan 0.000 0.445 407 G N 0.612 109.512 108.800 0.167 0.000 2.498 407 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.219 407 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.219 407 G C 1.053 176.002 174.900 0.082 0.000 1.119 407 G CA 0.390 45.559 45.100 0.114 0.000 0.766 407 G HN 0.202 nan 8.290 nan 0.000 0.552 408 D N -0.213 120.206 120.400 0.032 0.000 2.310 408 D HA -0.044 4.595 4.640 -0.002 0.000 0.212 408 D C 1.535 177.717 176.300 -0.197 0.000 0.965 408 D CA 0.345 54.270 54.000 -0.125 0.000 0.879 408 D CB -0.175 40.486 40.800 -0.232 0.000 0.921 408 D HN 0.642 nan 8.370 nan 0.000 0.510 409 W N 1.280 122.579 121.300 -0.001 0.000 3.047 409 W HA 0.016 4.675 4.660 -0.002 0.000 0.250 409 W C 1.208 177.713 176.519 -0.022 0.000 1.314 409 W CA 0.070 57.397 57.345 -0.029 0.000 1.540 409 W CB -0.114 29.333 29.460 -0.021 0.000 1.127 409 W HN -0.176 nan 8.180 nan 0.000 0.679 410 T N -2.278 112.383 114.554 0.178 0.000 2.828 410 T HA 0.126 4.474 4.350 -0.002 0.000 0.290 410 T C -1.566 173.169 174.700 0.059 0.000 1.019 410 T CA -1.422 60.740 62.100 0.104 0.000 1.031 410 T CB 1.412 70.323 68.868 0.071 0.000 1.001 410 T HN -0.277 nan 8.240 nan 0.000 0.531 411 P HA 0.092 nan 4.420 nan 0.000 0.220 411 P C 1.362 178.665 177.300 0.005 0.000 1.148 411 P CA 1.471 64.581 63.100 0.018 0.000 0.803 411 P CB -0.658 31.050 31.700 0.013 0.000 0.782 412 G N 0.076 108.882 108.800 0.009 0.000 2.627 412 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.312 412 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.312 412 G C 0.500 175.403 174.900 0.005 0.000 1.299 412 G CA 0.686 45.788 45.100 0.003 0.000 0.989 412 G HN 0.287 nan 8.290 nan 0.000 0.547 413 M N 1.610 121.214 119.600 0.006 0.000 2.729 413 M HA 0.306 4.785 4.480 -0.002 0.000 0.229 413 M C 2.096 178.412 176.300 0.027 0.000 1.280 413 M CA 1.245 56.557 55.300 0.021 0.000 1.012 413 M CB -0.411 32.205 32.600 0.027 0.000 1.603 413 M HN 0.503 nan 8.290 nan 0.000 0.452 414 T N -0.439 114.120 114.554 0.008 0.000 2.788 414 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 414 T C 1.880 176.572 174.700 -0.013 0.000 1.044 414 T CA 1.592 63.690 62.100 -0.003 0.000 1.139 414 T CB -0.131 68.727 68.868 -0.016 0.000 0.867 414 T HN 0.606 nan 8.240 nan 0.000 0.454 415 A N 1.252 124.066 122.820 -0.010 0.000 1.902 415 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 415 A C 2.299 179.870 177.584 -0.021 0.000 1.181 415 A CA 1.614 53.639 52.037 -0.020 0.000 0.623 415 A CB -0.627 18.365 19.000 -0.012 0.000 0.818 415 A HN 0.419 nan 8.150 nan 0.000 0.443 416 Q N -0.145 119.660 119.800 0.007 0.000 2.084 416 Q HA 0.022 4.361 4.340 -0.002 0.000 0.202 416 Q C 2.334 178.314 176.000 -0.034 0.000 0.978 416 Q CA 1.860 57.678 55.803 0.024 0.000 0.844 416 Q CB -0.661 28.131 28.738 0.091 0.000 0.898 416 Q HN 0.643 nan 8.270 nan 0.000 0.426 417 A N 0.386 123.194 122.820 -0.019 0.000 1.902 417 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 417 A C 2.074 179.524 177.584 -0.223 0.000 1.181 417 A CA 1.254 53.195 52.037 -0.160 0.000 0.623 417 A CB -0.770 18.222 19.000 -0.012 0.000 0.818 417 A HN 0.343 nan 8.150 nan 0.000 0.443 418 L N -0.922 120.219 121.223 -0.137 0.000 2.046 418 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 418 L C 3.105 179.884 176.870 -0.151 0.000 1.077 418 L CA 1.072 55.826 54.840 -0.144 0.000 0.747 418 L CB -0.560 41.439 42.059 -0.101 0.000 0.896 418 L HN 0.454 nan 8.230 nan 0.000 0.432 419 A N -0.486 122.263 122.820 -0.118 0.000 1.898 419 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 419 A C 2.343 179.857 177.584 -0.117 0.000 1.181 419 A CA 1.545 53.527 52.037 -0.092 0.000 0.620 419 A CB -0.718 18.251 19.000 -0.052 0.000 0.819 419 A HN 0.178 nan 8.150 nan 0.000 0.442 420 V N 0.119 119.922 119.914 -0.185 0.000 2.261 420 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 420 V C 2.539 178.442 176.094 -0.319 0.000 1.047 420 V CA 1.989 64.158 62.300 -0.218 0.000 1.015 420 V CB -0.700 30.869 31.823 -0.423 0.000 0.642 420 V HN 0.585 nan 8.190 nan 0.000 0.446 421 L N 0.008 120.909 121.223 -0.536 0.000 2.187 421 L HA -0.163 4.175 4.340 -0.002 0.000 0.213 421 L C 2.540 179.181 176.870 -0.381 0.000 1.100 421 L CA 1.314 55.697 54.840 -0.763 0.000 0.765 421 L CB -0.644 41.073 42.059 -0.570 0.000 0.904 421 L HN 0.390 nan 8.230 nan 0.000 0.437 422 A N -0.262 122.433 122.820 -0.208 0.000 2.066 422 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 422 A C 2.319 179.871 177.584 -0.054 0.000 1.157 422 A CA 1.627 53.598 52.037 -0.110 0.000 0.670 422 A CB -0.666 18.281 19.000 -0.088 0.000 0.804 422 A HN 0.495 nan 8.150 nan 0.000 0.453 423 T N -4.043 110.501 114.554 -0.016 0.000 3.118 423 T HA 0.026 4.375 4.350 -0.002 0.000 0.260 423 T C 0.997 175.590 174.700 -0.177 0.000 1.139 423 T CA 0.418 62.513 62.100 -0.009 0.000 1.085 423 T CB -0.583 68.326 68.868 0.068 0.000 0.934 423 T HN 0.169 nan 8.240 nan 0.000 0.518 424 F N 1.848 121.516 119.950 -0.470 0.000 2.805 424 F HA 0.260 4.786 4.527 -0.002 0.000 0.301 424 F C 2.109 177.640 175.800 -0.449 0.000 1.196 424 F CA -0.123 57.475 58.000 -0.669 0.000 1.439 424 F CB -0.629 38.191 39.000 -0.301 0.000 1.117 424 F HN 0.232 nan 8.300 nan 0.000 0.581 425 T N -1.358 113.103 114.554 -0.154 0.000 2.975 425 T HA 0.440 4.788 4.350 -0.002 0.000 0.257 425 T C 1.019 175.711 174.700 -0.014 0.000 1.003 425 T CA 0.299 62.370 62.100 -0.048 0.000 0.932 425 T CB 0.047 68.902 68.868 -0.022 0.000 1.087 425 T HN 0.099 nan 8.240 nan 0.000 0.512 426 A N 0.000 122.806 122.820 -0.024 0.000 2.254 426 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 426 A CA 0.000 52.079 52.037 0.069 0.000 0.836 426 A CB 0.000 19.044 19.000 0.074 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486