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 2xzk_1_B DATA FIRST_RESID 23 DATA SEQUENCE DPAKSAAPYH DEFPLFRSAN MASPDKLSTG IGFHSFRIPA VVRTTTGRIL DATA SEQUENCE AFAEGRRHTN QDFGDINLVY KRTKTTANNG ASPSDWEPLR EVVGSGAGTW DATA SEQUENCE GNPTPVVDDD NTIYLFLSWN GATYSQNGKD VLPDGTVTKK IDSTWEGRRH DATA SEQUENCE LYLTESRDDG NTWSKPVDLT KELTPDGWAW DAVGPGNGIR LTTGELVIPA DATA SEQUENCE MGRNIIGRGA PGNRTWSVQR LSGAGAEGTI VQTPDGKLYR NDRPSQKGYR DATA SEQUENCE MVARGTLEGF GAFAPDAGLP DPACQGSVLR YNSDAPARTI FLNSASGTSR DATA SEQUENCE RAMRVRISYD ADAKKFNYGR KLEDAKVSGA GHEGGYSSMT KTGDYKIGAL DATA SEQUENCE VESDFFNDGT GKNSYRAIIW RRFNLSWILN GPNN 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 23 D HA 0.000 nan 4.640 nan 0.000 0.175 23 D C 0.000 176.320 176.300 0.033 0.000 2.045 23 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 23 D CB 0.000 40.851 40.800 0.084 0.000 0.688 24 P HA -0.031 nan 4.420 nan 0.000 0.222 24 P C 1.090 178.424 177.300 0.057 0.000 1.147 24 P CA 0.586 63.710 63.100 0.040 0.000 0.790 24 P CB 0.194 31.917 31.700 0.038 0.000 0.780 25 A N 0.457 123.326 122.820 0.082 0.000 2.121 25 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 25 A C 2.312 179.951 177.584 0.091 0.000 1.154 25 A CA 1.258 53.351 52.037 0.094 0.000 0.679 25 A CB -0.980 18.089 19.000 0.116 0.000 0.795 25 A HN 0.170 nan 8.150 nan 0.000 0.458 26 K N 0.594 121.041 120.400 0.078 0.000 2.209 26 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 26 K C 2.016 178.653 176.600 0.063 0.000 1.048 26 K CA 1.486 57.815 56.287 0.069 0.000 0.940 26 K CB -0.124 32.406 32.500 0.049 0.000 0.729 26 K HN 0.606 nan 8.250 nan 0.000 0.451 27 S N -0.245 115.488 115.700 0.055 0.000 2.522 27 S HA 0.135 4.605 4.470 -0.000 0.000 0.227 27 S C 0.744 175.379 174.600 0.058 0.000 0.986 27 S CA 0.013 58.241 58.200 0.048 0.000 0.929 27 S CB -0.061 63.160 63.200 0.035 0.000 0.769 27 S HN 0.294 nan 8.310 nan 0.000 0.529 28 A N 1.639 124.503 122.820 0.072 0.000 2.425 28 A HA 0.664 4.984 4.320 -0.000 0.000 0.242 28 A C 0.713 178.360 177.584 0.105 0.000 1.077 28 A CA -0.035 52.052 52.037 0.083 0.000 0.781 28 A CB -0.404 18.651 19.000 0.092 0.000 1.020 28 A HN 0.972 nan 8.150 nan 0.000 0.494 29 A N 3.182 126.066 122.820 0.108 0.000 2.520 29 A HA 0.495 4.815 4.320 -0.000 0.000 0.245 29 A C -2.226 175.474 177.584 0.193 0.000 1.072 29 A CA -0.898 51.217 52.037 0.131 0.000 0.761 29 A CB -0.737 18.335 19.000 0.119 0.000 1.004 29 A HN 0.611 nan 8.150 nan 0.000 0.499 30 P HA 0.194 nan 4.420 nan 0.000 0.268 30 P C -0.994 176.532 177.300 0.378 0.000 1.205 30 P CA 0.572 63.869 63.100 0.328 0.000 0.771 30 P CB 0.178 32.074 31.700 0.325 0.000 0.858 31 Y N 3.481 123.945 120.300 0.273 0.000 2.406 31 Y HA 0.549 5.099 4.550 -0.000 0.000 0.340 31 Y C -0.637 175.313 175.900 0.083 0.000 0.975 31 Y CA -0.755 57.423 58.100 0.130 0.000 1.056 31 Y CB 1.414 39.929 38.460 0.093 0.000 1.210 31 Y HN 0.624 nan 8.280 nan 0.000 0.448 32 H N 2.025 120.670 119.070 -0.708 0.000 2.961 32 H HA 0.713 5.269 4.556 -0.000 0.000 0.371 32 H C -2.205 172.624 175.328 -0.831 0.000 1.190 32 H CA -1.055 54.507 56.048 -0.811 0.000 1.138 32 H CB 2.291 31.427 29.762 -1.043 0.000 1.816 32 H HN 0.496 nan 8.280 nan 0.000 0.551 33 D N 1.445 121.552 120.400 -0.489 0.000 2.966 33 D HA 0.250 4.890 4.640 -0.000 0.000 0.222 33 D C -1.442 174.754 176.300 -0.174 0.000 1.292 33 D CA -0.527 53.294 54.000 -0.300 0.000 0.907 33 D CB 1.670 42.347 40.800 -0.204 0.000 1.621 33 D HN 0.793 nan 8.370 nan 0.000 0.557 34 E N 2.143 122.323 120.200 -0.033 0.000 2.352 34 E HA 0.608 4.958 4.350 -0.000 0.000 0.280 34 E C -1.319 175.342 176.600 0.102 0.000 0.930 34 E CA -0.874 55.454 56.400 -0.119 0.000 0.765 34 E CB 1.489 31.126 29.700 -0.106 0.000 1.219 34 E HN 0.355 nan 8.360 nan 0.000 0.434 35 F N -2.359 117.623 119.950 0.053 0.000 2.770 35 F HA 0.606 5.133 4.527 -0.000 0.000 0.313 35 F C -3.142 172.688 175.800 0.050 0.000 1.154 35 F CA -2.447 55.586 58.000 0.054 0.000 0.923 35 F CB 0.719 39.761 39.000 0.069 0.000 1.301 35 F HN 0.053 nan 8.300 nan 0.000 0.449 36 P HA 0.208 nan 4.420 nan 0.000 0.271 36 P C 0.067 177.448 177.300 0.135 0.000 1.220 36 P CA 0.002 63.191 63.100 0.149 0.000 0.768 36 P CB 1.199 32.981 31.700 0.137 0.000 0.848 37 L N 3.601 124.787 121.223 -0.061 0.000 2.425 37 L HA 0.401 4.741 4.340 -0.000 0.000 0.215 37 L C -0.098 176.353 176.870 -0.699 0.000 1.065 37 L CA 1.062 55.656 54.840 -0.411 0.000 0.842 37 L CB -0.021 41.619 42.059 -0.698 0.000 1.033 37 L HN 0.117 nan 8.230 nan 0.000 0.474 38 F N 1.180 120.941 119.950 -0.314 0.000 2.382 38 F HA 0.499 5.026 4.527 -0.000 0.000 0.361 38 F C 0.109 175.766 175.800 -0.238 0.000 1.109 38 F CA -0.628 57.044 58.000 -0.546 0.000 1.031 38 F CB 0.852 39.397 39.000 -0.759 0.000 1.234 38 F HN -0.263 nan 8.300 nan 0.000 0.445 39 R N 2.027 122.497 120.500 -0.049 0.000 2.215 39 R HA 0.418 4.758 4.340 -0.000 0.000 0.336 39 R C 0.068 176.600 176.300 0.386 0.000 0.996 39 R CA -0.544 55.655 56.100 0.165 0.000 0.847 39 R CB 1.208 31.549 30.300 0.068 0.000 1.127 39 R HN 0.701 nan 8.270 nan 0.000 0.465 40 S N 1.606 117.556 115.700 0.418 0.000 2.587 40 S HA 0.082 4.552 4.470 -0.000 0.000 0.260 40 S C 1.469 176.110 174.600 0.067 0.000 1.353 40 S CA -0.280 58.119 58.200 0.330 0.000 0.995 40 S CB 1.188 64.548 63.200 0.268 0.000 0.912 40 S HN 0.698 nan 8.310 nan 0.000 0.568 41 A N 1.544 124.364 122.820 -0.001 0.000 2.070 41 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 41 A C 2.064 179.458 177.584 -0.317 0.000 1.159 41 A CA 1.456 53.448 52.037 -0.076 0.000 0.656 41 A CB -1.038 17.985 19.000 0.038 0.000 0.800 41 A HN 0.940 nan 8.150 nan 0.000 0.453 42 N N -0.567 117.688 118.700 -0.741 0.000 2.446 42 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 42 N C 0.622 175.812 175.510 -0.533 0.000 1.054 42 N CA 0.253 52.767 53.050 -0.893 0.000 0.905 42 N CB -0.334 37.183 38.487 -1.616 0.000 0.973 42 N HN 0.492 nan 8.380 nan 0.000 0.448 43 M N 0.864 120.242 119.600 -0.371 0.000 2.247 43 M HA 0.393 4.873 4.480 -0.000 0.000 0.326 43 M C 0.450 176.684 176.300 -0.109 0.000 1.134 43 M CA -0.720 54.465 55.300 -0.192 0.000 1.136 43 M CB 1.251 33.822 32.600 -0.048 0.000 1.454 43 M HN 0.002 nan 8.290 nan 0.000 0.467 44 A N 1.219 124.000 122.820 -0.065 0.000 2.498 44 A HA 0.252 4.572 4.320 -0.000 0.000 0.239 44 A C 0.626 178.195 177.584 -0.024 0.000 1.068 44 A CA -0.121 51.891 52.037 -0.042 0.000 0.766 44 A CB -0.264 18.720 19.000 -0.027 0.000 1.003 44 A HN 0.943 nan 8.150 nan 0.000 0.497 45 S N 1.433 117.119 115.700 -0.022 0.000 3.484 45 S HA -0.108 4.362 4.470 -0.000 0.000 0.384 45 S C -1.980 172.621 174.600 0.002 0.000 0.932 45 S CA 0.700 58.892 58.200 -0.014 0.000 1.293 45 S CB -1.825 61.363 63.200 -0.020 0.000 0.919 45 S HN 0.836 nan 8.310 nan 0.000 0.540 46 P HA 0.208 nan 4.420 nan 0.000 0.272 46 P C -0.340 177.024 177.300 0.107 0.000 1.223 46 P CA -0.137 63.005 63.100 0.070 0.000 0.784 46 P CB 0.571 32.307 31.700 0.060 0.000 0.923 47 D N 2.545 123.054 120.400 0.182 0.000 2.343 47 D HA 0.167 4.807 4.640 -0.000 0.000 0.255 47 D C 0.257 176.768 176.300 0.352 0.000 1.187 47 D CA 0.506 54.604 54.000 0.163 0.000 0.875 47 D CB 0.899 41.669 40.800 -0.050 0.000 1.136 47 D HN 0.267 nan 8.370 nan 0.000 0.469 48 K N 1.731 122.265 120.400 0.223 0.000 2.443 48 K HA 0.472 4.792 4.320 -0.000 0.000 0.251 48 K C -0.025 176.690 176.600 0.193 0.000 0.972 48 K CA -0.880 55.546 56.287 0.232 0.000 0.833 48 K CB 2.053 34.613 32.500 0.100 0.000 1.317 48 K HN 0.168 nan 8.250 nan 0.000 0.441 49 L N 0.966 122.317 121.223 0.214 0.000 2.476 49 L HA 0.017 4.357 4.340 -0.000 0.000 0.255 49 L C 1.779 178.691 176.870 0.071 0.000 1.218 49 L CA 0.061 54.990 54.840 0.147 0.000 0.819 49 L CB 0.656 42.819 42.059 0.173 0.000 1.119 49 L HN 0.884 nan 8.230 nan 0.000 0.485 50 S N -1.944 113.785 115.700 0.048 0.000 2.474 50 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 50 S C 1.507 176.122 174.600 0.024 0.000 0.997 50 S CA 1.058 59.273 58.200 0.026 0.000 0.949 50 S CB -0.755 62.455 63.200 0.018 0.000 0.766 50 S HN 0.884 nan 8.310 nan 0.000 0.517 51 T N -2.634 111.939 114.554 0.032 0.000 3.118 51 T HA 0.447 4.797 4.350 -0.000 0.000 0.260 51 T C 1.675 176.380 174.700 0.009 0.000 1.139 51 T CA 0.686 62.799 62.100 0.022 0.000 1.085 51 T CB -0.413 68.471 68.868 0.027 0.000 0.934 51 T HN 1.120 nan 8.240 nan 0.000 0.518 52 G N 1.120 109.926 108.800 0.010 0.000 2.175 52 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 52 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 52 G C 0.002 174.880 174.900 -0.035 0.000 0.982 52 G CA -0.149 44.948 45.100 -0.005 0.000 0.641 52 G HN 0.614 nan 8.290 nan 0.000 0.527 53 I N 2.404 122.940 120.570 -0.056 0.000 2.517 53 I HA 0.471 4.641 4.170 -0.000 0.000 0.285 53 I C 1.379 177.316 176.117 -0.301 0.000 1.106 53 I CA 1.085 62.277 61.300 -0.181 0.000 1.402 53 I CB 0.878 38.768 38.000 -0.184 0.000 1.399 53 I HN 0.226 nan 8.210 nan 0.000 0.535 54 G N 5.596 114.167 108.800 -0.381 0.000 2.552 54 G HA2 0.734 4.694 3.960 -0.000 0.000 0.318 54 G HA3 0.734 4.694 3.960 -0.000 0.000 0.318 54 G C -1.216 173.202 174.900 -0.802 0.000 1.240 54 G CA -0.396 44.506 45.100 -0.330 0.000 1.002 54 G HN 0.343 nan 8.290 nan 0.000 0.493 55 F N -1.211 118.700 119.950 -0.065 0.000 2.573 55 F HA 0.325 4.852 4.527 -0.000 0.000 0.316 55 F C 1.062 176.747 175.800 -0.191 0.000 1.148 55 F CA -0.811 57.033 58.000 -0.261 0.000 0.940 55 F CB 1.930 40.525 39.000 -0.675 0.000 1.214 55 F HN 0.663 nan 8.300 nan 0.000 0.448 56 H N 1.246 120.289 119.070 -0.044 0.000 2.319 56 H HA -0.036 4.520 4.556 -0.000 0.000 0.297 56 H C -0.207 175.153 175.328 0.053 0.000 1.097 56 H CA 1.857 57.932 56.048 0.046 0.000 1.285 56 H CB 0.525 30.251 29.762 -0.060 0.000 1.368 56 H HN 0.448 nan 8.280 nan 0.000 0.495 57 S N -1.184 114.515 115.700 -0.001 0.000 2.556 57 S HA 0.448 4.918 4.470 -0.000 0.000 0.271 57 S C -1.602 172.762 174.600 -0.393 0.000 1.135 57 S CA -0.662 57.517 58.200 -0.036 0.000 0.858 57 S CB 1.833 65.126 63.200 0.155 0.000 1.114 57 S HN 0.180 nan 8.310 nan 0.000 0.468 58 F N 1.773 121.766 119.950 0.072 0.000 2.467 58 F HA 0.640 5.167 4.527 -0.000 0.000 0.336 58 F C 0.705 176.449 175.800 -0.093 0.000 1.123 58 F CA -0.569 57.390 58.000 -0.068 0.000 0.964 58 F CB 1.471 40.430 39.000 -0.069 0.000 1.136 58 F HN 0.224 nan 8.300 nan 0.000 0.447 59 R N 2.434 122.926 120.500 -0.013 0.000 2.855 59 R HA 0.639 4.979 4.340 -0.000 0.000 0.266 59 R C -1.127 175.107 176.300 -0.109 0.000 1.034 59 R CA -1.111 54.940 56.100 -0.082 0.000 0.944 59 R CB 2.162 32.375 30.300 -0.144 0.000 1.219 59 R HN 0.560 nan 8.270 nan 0.000 0.474 60 I N -0.290 120.211 120.570 -0.115 0.000 6.738 60 I HA -0.135 4.035 4.170 -0.000 0.000 0.126 60 I C -2.387 173.751 176.117 0.035 0.000 1.829 60 I CA -0.291 61.013 61.300 0.006 0.000 2.040 60 I CB -2.298 35.707 38.000 0.008 0.000 3.535 60 I HN 0.492 nan 8.210 nan 0.000 0.170 61 P HA 0.541 nan 4.420 nan 0.000 0.274 61 P C -0.303 177.069 177.300 0.119 0.000 1.231 61 P CA -0.039 63.081 63.100 0.033 0.000 0.790 61 P CB 2.150 33.884 31.700 0.058 0.000 0.951 62 A N 1.566 124.490 122.820 0.173 0.000 2.520 62 A HA 0.632 4.952 4.320 -0.000 0.000 0.298 62 A C -1.542 176.257 177.584 0.359 0.000 1.051 62 A CA -0.727 51.453 52.037 0.238 0.000 0.690 62 A CB 1.864 20.976 19.000 0.187 0.000 1.281 62 A HN 0.404 nan 8.150 nan 0.000 0.402 63 V N 2.730 122.839 119.914 0.325 0.000 2.808 63 V HA 0.799 4.919 4.120 -0.000 0.000 0.308 63 V C -1.181 175.104 176.094 0.318 0.000 1.099 63 V CA -0.142 62.361 62.300 0.339 0.000 0.920 63 V CB 2.022 34.046 31.823 0.334 0.000 1.014 63 V HN 1.855 nan 8.190 nan 0.000 0.425 64 V N 3.865 123.973 119.914 0.322 0.000 2.888 64 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 64 V C -0.580 175.634 176.094 0.200 0.000 1.114 64 V CA -1.018 61.438 62.300 0.260 0.000 0.940 64 V CB 1.865 33.858 31.823 0.284 0.000 1.021 64 V HN 1.030 nan 8.190 nan 0.000 0.426 65 R N 2.346 122.934 120.500 0.146 0.000 2.308 65 R HA 0.563 4.903 4.340 -0.000 0.000 0.305 65 R C 0.372 176.716 176.300 0.073 0.000 1.053 65 R CA 0.369 56.519 56.100 0.085 0.000 0.957 65 R CB 1.467 31.794 30.300 0.045 0.000 1.022 65 R HN 1.137 nan 8.270 nan 0.000 0.461 66 T N -0.167 114.418 114.554 0.051 0.000 2.824 66 T HA 0.021 4.371 4.350 -0.000 0.000 0.277 66 T C 1.561 176.267 174.700 0.010 0.000 0.975 66 T CA -0.007 62.118 62.100 0.041 0.000 0.966 66 T CB 1.222 70.105 68.868 0.026 0.000 1.054 66 T HN 0.686 nan 8.240 nan 0.000 0.533 67 T N -2.180 112.377 114.554 0.005 0.000 3.007 67 T HA -0.101 4.249 4.350 -0.000 0.000 0.270 67 T C 1.835 176.524 174.700 -0.019 0.000 1.107 67 T CA 1.432 63.528 62.100 -0.007 0.000 1.118 67 T CB -1.320 67.545 68.868 -0.005 0.000 0.889 67 T HN 0.875 nan 8.240 nan 0.000 0.506 68 T N -2.639 111.901 114.554 -0.024 0.000 3.067 68 T HA 0.448 4.798 4.350 -0.000 0.000 0.261 68 T C 1.992 176.668 174.700 -0.039 0.000 1.110 68 T CA 0.755 62.836 62.100 -0.032 0.000 1.113 68 T CB -0.367 68.478 68.868 -0.038 0.000 0.917 68 T HN 0.911 nan 8.240 nan 0.000 0.499 69 G N 1.308 110.084 108.800 -0.041 0.000 2.218 69 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 69 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 69 G C 0.200 175.060 174.900 -0.067 0.000 0.994 69 G CA -0.084 44.983 45.100 -0.054 0.000 0.637 69 G HN 0.761 nan 8.290 nan 0.000 0.505 70 R N 0.593 121.052 120.500 -0.068 0.000 2.679 70 R HA 0.496 4.836 4.340 -0.000 0.000 0.268 70 R C 0.146 176.399 176.300 -0.078 0.000 1.044 70 R CA 0.132 56.173 56.100 -0.098 0.000 1.105 70 R CB 0.069 30.324 30.300 -0.074 0.000 0.989 70 R HN 0.326 nan 8.270 nan 0.000 0.447 71 I N 5.383 125.860 120.570 -0.155 0.000 2.441 71 I HA 0.265 4.434 4.170 -0.000 0.000 0.295 71 I C -0.464 175.645 176.117 -0.014 0.000 0.994 71 I CA -0.712 60.540 61.300 -0.080 0.000 1.144 71 I CB 1.618 39.528 38.000 -0.149 0.000 1.314 71 I HN 0.377 nan 8.210 nan 0.000 0.445 72 L N 5.887 127.162 121.223 0.087 0.000 2.325 72 L HA 0.733 5.073 4.340 -0.000 0.000 0.281 72 L C -0.123 176.718 176.870 -0.049 0.000 1.004 72 L CA -0.616 54.238 54.840 0.023 0.000 0.823 72 L CB 1.693 43.777 42.059 0.042 0.000 1.236 72 L HN 0.662 nan 8.230 nan 0.000 0.415 73 A N 3.881 126.646 122.820 -0.092 0.000 2.304 73 A HA 0.841 5.161 4.320 -0.000 0.000 0.314 73 A C -1.078 176.451 177.584 -0.092 0.000 1.187 73 A CA -0.292 51.740 52.037 -0.009 0.000 0.810 73 A CB 0.489 19.476 19.000 -0.021 0.000 1.183 73 A HN 0.508 nan 8.150 nan 0.000 0.487 74 F N 1.278 121.317 119.950 0.148 0.000 2.507 74 F HA 0.810 5.337 4.527 -0.000 0.000 0.327 74 F C 0.603 176.266 175.800 -0.228 0.000 1.068 74 F CA -0.118 57.893 58.000 0.019 0.000 0.965 74 F CB 2.405 41.381 39.000 -0.040 0.000 1.192 74 F HN 0.790 nan 8.300 nan 0.000 0.476 75 A N 0.827 123.572 122.820 -0.125 0.000 2.609 75 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 75 A C -1.457 176.049 177.584 -0.130 0.000 1.096 75 A CA -0.910 50.950 52.037 -0.296 0.000 0.684 75 A CB 1.182 19.675 19.000 -0.845 0.000 1.282 75 A HN 0.713 nan 8.150 nan 0.000 0.412 76 E N 0.579 120.714 120.200 -0.107 0.000 2.180 76 E HA 0.408 4.758 4.350 -0.000 0.000 0.283 76 E C 0.260 176.763 176.600 -0.160 0.000 1.061 76 E CA -0.144 56.203 56.400 -0.089 0.000 0.861 76 E CB 1.184 30.846 29.700 -0.062 0.000 1.056 76 E HN 0.719 nan 8.360 nan 0.000 0.407 77 G N 4.086 112.708 108.800 -0.296 0.000 2.391 77 G HA2 0.129 4.089 3.960 -0.000 0.000 0.305 77 G HA3 0.129 4.089 3.960 -0.000 0.000 0.305 77 G C -0.105 174.642 174.900 -0.255 0.000 1.072 77 G CA -0.550 44.102 45.100 -0.748 0.000 1.016 77 G HN 0.422 nan 8.290 nan 0.000 0.418 78 R N 2.926 123.315 120.500 -0.185 0.000 2.204 78 R HA 0.216 4.556 4.340 -0.000 0.000 0.341 78 R C 1.039 177.336 176.300 -0.004 0.000 1.035 78 R CA -0.830 55.226 56.100 -0.073 0.000 0.887 78 R CB 1.335 31.558 30.300 -0.128 0.000 1.114 78 R HN 0.451 nan 8.270 nan 0.000 0.473 79 R N 1.223 121.688 120.500 -0.058 0.000 2.080 79 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 79 R C 1.114 177.150 176.300 -0.440 0.000 1.137 79 R CA 1.633 57.506 56.100 -0.379 0.000 0.943 79 R CB -0.011 29.800 30.300 -0.815 0.000 0.846 79 R HN 0.658 nan 8.270 nan 0.000 0.431 80 H N -1.509 117.521 119.070 -0.067 0.000 2.855 80 H HA 0.197 4.753 4.556 -0.000 0.000 0.259 80 H C 0.836 175.962 175.328 -0.336 0.000 0.972 80 H CA 0.930 56.904 56.048 -0.122 0.000 1.213 80 H CB 0.866 30.558 29.762 -0.116 0.000 1.451 80 H HN 0.276 nan 8.280 nan 0.000 0.484 81 T N -0.824 113.512 114.554 -0.364 0.000 2.671 81 T HA 0.122 4.472 4.350 -0.000 0.000 0.300 81 T C 0.399 174.800 174.700 -0.498 0.000 1.238 81 T CA -0.659 60.993 62.100 -0.747 0.000 1.020 81 T CB 1.541 70.134 68.868 -0.458 0.000 1.503 81 T HN 0.131 nan 8.240 nan 0.000 0.497 82 N N -0.619 117.839 118.700 -0.404 0.000 2.336 82 N HA 0.099 4.839 4.740 -0.000 0.000 0.189 82 N C 0.232 175.601 175.510 -0.235 0.000 1.113 82 N CA -0.250 52.696 53.050 -0.174 0.000 0.858 82 N CB -0.397 38.064 38.487 -0.043 0.000 0.970 82 N HN 0.679 nan 8.380 nan 0.000 0.471 83 Q N 0.339 119.914 119.800 -0.375 0.000 2.454 83 Q HA 0.029 4.369 4.340 -0.000 0.000 0.247 83 Q C 0.165 175.865 176.000 -0.500 0.000 1.028 83 Q CA 0.296 55.774 55.803 -0.541 0.000 0.910 83 Q CB 0.585 28.700 28.738 -1.039 0.000 1.276 83 Q HN 0.439 nan 8.270 nan 0.000 0.489 84 D N 0.000 120.178 120.400 -0.370 0.000 2.340 84 D HA 0.017 4.657 4.640 -0.000 0.000 0.220 84 D C -0.131 176.144 176.300 -0.041 0.000 1.039 84 D CA 0.170 54.092 54.000 -0.129 0.000 0.866 84 D CB -0.131 40.688 40.800 0.033 0.000 0.913 84 D HN 0.319 nan 8.370 nan 0.000 0.523 85 F N -1.713 118.222 119.950 -0.024 0.000 2.639 85 F HA 0.815 5.342 4.527 -0.000 0.000 0.339 85 F C 0.921 176.694 175.800 -0.046 0.000 1.071 85 F CA -0.503 57.475 58.000 -0.037 0.000 0.994 85 F CB 0.954 39.936 39.000 -0.031 0.000 1.341 85 F HN 0.089 nan 8.300 nan 0.000 0.498 86 G N 0.495 109.408 108.800 0.189 0.000 2.545 86 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 86 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 86 G C -1.503 173.415 174.900 0.030 0.000 1.314 86 G CA -0.265 44.897 45.100 0.103 0.000 0.906 86 G HN 1.043 nan 8.290 nan 0.000 0.563 87 D N 0.944 121.381 120.400 0.062 0.000 2.359 87 D HA 0.515 5.155 4.640 -0.000 0.000 0.250 87 D C 0.306 176.627 176.300 0.035 0.000 1.264 87 D CA 0.170 54.211 54.000 0.069 0.000 0.911 87 D CB -0.336 40.535 40.800 0.118 0.000 1.056 87 D HN 0.546 nan 8.370 nan 0.000 0.499 88 I N 3.421 124.035 120.570 0.074 0.000 2.499 88 I HA 0.279 4.449 4.170 -0.000 0.000 0.288 88 I C -0.264 175.972 176.117 0.198 0.000 1.048 88 I CA -1.007 60.344 61.300 0.085 0.000 1.062 88 I CB 1.833 39.841 38.000 0.014 0.000 1.238 88 I HN 0.111 nan 8.210 nan 0.000 0.426 89 N N 5.453 124.264 118.700 0.186 0.000 2.384 89 N HA 0.429 5.169 4.740 -0.000 0.000 0.301 89 N C -1.095 174.452 175.510 0.061 0.000 1.133 89 N CA -0.630 52.532 53.050 0.186 0.000 0.853 89 N CB 2.406 41.044 38.487 0.250 0.000 1.241 89 N HN 0.373 nan 8.380 nan 0.000 0.502 90 L N 2.789 124.038 121.223 0.043 0.000 2.261 90 L HA 0.365 4.705 4.340 -0.000 0.000 0.289 90 L C -0.327 176.553 176.870 0.017 0.000 1.059 90 L CA -0.452 54.390 54.840 0.003 0.000 0.816 90 L CB 0.074 42.107 42.059 -0.043 0.000 1.191 90 L HN 0.360 nan 8.230 nan 0.000 0.431 91 V N 4.024 123.959 119.914 0.036 0.000 3.096 91 V HA 0.759 4.879 4.120 -0.000 0.000 0.319 91 V C -0.859 175.404 176.094 0.280 0.000 1.103 91 V CA -0.655 61.719 62.300 0.123 0.000 1.016 91 V CB 1.817 33.641 31.823 0.002 0.000 1.090 91 V HN 0.748 nan 8.190 nan 0.000 0.449 92 Y N -1.131 119.204 120.300 0.059 0.000 2.713 92 Y HA 0.845 5.395 4.550 -0.000 0.000 0.335 92 Y C -1.196 174.710 175.900 0.009 0.000 1.222 92 Y CA -1.638 56.463 58.100 0.001 0.000 1.061 92 Y CB 1.357 39.641 38.460 -0.293 0.000 1.314 92 Y HN 0.730 nan 8.280 nan 0.000 0.453 93 K N 1.639 122.003 120.400 -0.061 0.000 2.477 93 K HA 0.676 4.996 4.320 -0.000 0.000 0.255 93 K C -1.301 175.378 176.600 0.132 0.000 0.952 93 K CA -1.172 55.026 56.287 -0.149 0.000 0.826 93 K CB 3.036 35.360 32.500 -0.293 0.000 1.331 93 K HN 0.781 nan 8.250 nan 0.000 0.437 94 R N 0.335 120.912 120.500 0.127 0.000 2.778 94 R HA 0.339 4.679 4.340 -0.000 0.000 0.277 94 R C -0.348 175.899 176.300 -0.088 0.000 0.977 94 R CA -0.960 55.198 56.100 0.096 0.000 0.950 94 R CB 1.570 31.913 30.300 0.072 0.000 1.165 94 R HN 0.727 nan 8.270 nan 0.000 0.474 95 T N -0.917 113.337 114.554 -0.499 0.000 2.940 95 T HA 0.057 4.407 4.350 -0.000 0.000 0.309 95 T C 0.946 175.451 174.700 -0.325 0.000 1.056 95 T CA -0.397 61.278 62.100 -0.710 0.000 1.137 95 T CB 0.872 69.251 68.868 -0.815 0.000 0.976 95 T HN 0.512 nan 8.240 nan 0.000 0.547 96 K N 0.917 121.154 120.400 -0.272 0.000 2.147 96 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 96 K C 1.326 177.847 176.600 -0.132 0.000 1.049 96 K CA 1.323 57.518 56.287 -0.153 0.000 0.936 96 K CB -0.131 32.296 32.500 -0.122 0.000 0.722 96 K HN 0.919 nan 8.250 nan 0.000 0.446 97 T N -3.469 110.989 114.554 -0.159 0.000 2.907 97 T HA 0.139 4.489 4.350 -0.000 0.000 0.290 97 T C 1.017 175.637 174.700 -0.134 0.000 1.066 97 T CA -0.604 61.424 62.100 -0.120 0.000 1.012 97 T CB 1.693 70.504 68.868 -0.096 0.000 1.184 97 T HN 0.078 nan 8.240 nan 0.000 0.522 98 T N -2.038 112.457 114.554 -0.097 0.000 3.113 98 T HA 0.229 4.579 4.350 -0.000 0.000 0.263 98 T C 1.614 176.263 174.700 -0.085 0.000 1.143 98 T CA 0.565 62.612 62.100 -0.089 0.000 1.090 98 T CB -0.386 68.444 68.868 -0.063 0.000 0.922 98 T HN 0.892 nan 8.240 nan 0.000 0.521 99 A N 1.974 124.744 122.820 -0.083 0.000 2.358 99 A HA 0.264 4.584 4.320 -0.000 0.000 0.223 99 A C 1.915 179.459 177.584 -0.066 0.000 1.218 99 A CA 0.324 52.324 52.037 -0.062 0.000 0.942 99 A CB -0.171 18.803 19.000 -0.043 0.000 1.005 99 A HN 0.598 nan 8.150 nan 0.000 0.514 100 N N 0.022 118.661 118.700 -0.102 0.000 2.463 100 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 100 N C 0.190 175.654 175.510 -0.078 0.000 1.078 100 N CA 0.998 53.992 53.050 -0.093 0.000 0.902 100 N CB -0.899 37.514 38.487 -0.122 0.000 0.970 100 N HN 0.500 nan 8.380 nan 0.000 0.451 101 N N -1.484 117.154 118.700 -0.104 0.000 2.753 101 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 101 N C 0.477 176.018 175.510 0.052 0.000 1.097 101 N CA 0.504 53.541 53.050 -0.022 0.000 0.786 101 N CB -1.577 36.938 38.487 0.046 0.000 1.137 101 N HN 0.573 nan 8.380 nan 0.000 0.566 102 G N -0.734 107.938 108.800 -0.214 0.000 2.249 102 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 102 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 102 G C 1.037 176.269 174.900 0.554 0.000 1.036 102 G CA 0.712 45.670 45.100 -0.237 0.000 0.824 102 G HN 0.940 nan 8.290 nan 0.000 0.504 103 A N -1.055 121.979 122.820 0.357 0.000 1.969 103 A HA 0.502 4.822 4.320 -0.000 0.000 0.218 103 A C 1.641 179.548 177.584 0.539 0.000 1.169 103 A CA 2.056 54.368 52.037 0.458 0.000 0.635 103 A CB 0.108 19.268 19.000 0.267 0.000 0.810 103 A HN 1.020 nan 8.150 nan 0.000 0.445 104 S N -1.639 114.271 115.700 0.350 0.000 2.599 104 S HA 0.495 4.965 4.470 -0.000 0.000 0.294 104 S C -2.211 172.311 174.600 -0.129 0.000 1.094 104 S CA -1.054 57.180 58.200 0.058 0.000 0.931 104 S CB 1.830 65.023 63.200 -0.012 0.000 1.093 104 S HN -0.045 nan 8.310 nan 0.000 0.488 105 P HA -0.151 nan 4.420 nan 0.000 0.216 105 P C 1.448 178.716 177.300 -0.053 0.000 1.153 105 P CA 1.453 64.253 63.100 -0.500 0.000 0.858 105 P CB -0.073 31.285 31.700 -0.570 0.000 0.789 106 S N -1.716 113.933 115.700 -0.085 0.000 2.507 106 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 106 S C 1.450 176.037 174.600 -0.022 0.000 0.988 106 S CA 1.043 59.219 58.200 -0.041 0.000 0.944 106 S CB -1.028 62.138 63.200 -0.056 0.000 0.762 106 S HN 0.096 nan 8.310 nan 0.000 0.526 107 D N 0.364 120.756 120.400 -0.013 0.000 2.363 107 D HA 0.095 4.735 4.640 -0.000 0.000 0.220 107 D C -0.523 175.617 176.300 -0.267 0.000 0.994 107 D CA 0.379 54.297 54.000 -0.136 0.000 0.890 107 D CB 0.010 40.707 40.800 -0.171 0.000 0.906 107 D HN 0.561 nan 8.370 nan 0.000 0.530 108 W N 1.764 123.001 121.300 -0.105 0.000 2.469 108 W HA 0.295 4.955 4.660 -0.000 0.000 0.320 108 W C 0.727 177.151 176.519 -0.158 0.000 1.086 108 W CA -0.869 56.384 57.345 -0.154 0.000 1.211 108 W CB 0.904 30.248 29.460 -0.194 0.000 1.298 108 W HN -0.293 nan 8.180 nan 0.000 0.525 109 E N 3.093 123.331 120.200 0.063 0.000 2.422 109 E HA 0.042 4.392 4.350 -0.000 0.000 0.260 109 E C -1.907 174.665 176.600 -0.048 0.000 1.108 109 E CA -1.369 55.021 56.400 -0.016 0.000 0.943 109 E CB -0.054 29.616 29.700 -0.051 0.000 0.961 109 E HN -0.012 nan 8.360 nan 0.000 0.443 110 P HA -0.054 nan 4.420 nan 0.000 0.271 110 P C -0.586 176.622 177.300 -0.153 0.000 1.233 110 P CA -0.332 62.709 63.100 -0.100 0.000 0.789 110 P CB 0.383 32.045 31.700 -0.064 0.000 0.951 111 L N 2.384 123.515 121.223 -0.153 0.000 2.525 111 L HA 0.029 4.369 4.340 -0.000 0.000 0.278 111 L C 0.527 177.310 176.870 -0.145 0.000 1.218 111 L CA 1.230 55.976 54.840 -0.157 0.000 0.878 111 L CB -0.252 41.788 42.059 -0.032 0.000 1.127 111 L HN 0.334 nan 8.230 nan 0.000 0.492 112 R N 3.058 123.383 120.500 -0.291 0.000 2.930 112 R HA 0.552 4.891 4.340 -0.000 0.000 0.257 112 R C -1.171 175.083 176.300 -0.076 0.000 1.107 112 R CA -0.965 54.969 56.100 -0.277 0.000 0.999 112 R CB 1.462 31.384 30.300 -0.629 0.000 1.209 112 R HN 0.627 nan 8.270 nan 0.000 0.486 113 E N 0.442 120.721 120.200 0.131 0.000 2.199 113 E HA 0.195 4.545 4.350 -0.000 0.000 0.265 113 E C -0.125 176.640 176.600 0.275 0.000 0.882 113 E CA -0.416 56.110 56.400 0.211 0.000 0.759 113 E CB 1.927 31.716 29.700 0.149 0.000 1.148 113 E HN 0.323 nan 8.360 nan 0.000 0.412 114 V N 3.867 123.852 119.914 0.118 0.000 2.302 114 V HA 0.036 4.156 4.120 -0.000 0.000 0.243 114 V C 0.507 176.476 176.094 -0.207 0.000 1.036 114 V CA 0.794 62.970 62.300 -0.208 0.000 1.020 114 V CB 0.659 32.116 31.823 -0.610 0.000 0.657 114 V HN 0.507 nan 8.190 nan 0.000 0.453 115 V N -1.166 118.575 119.914 -0.289 0.000 2.924 115 V HA 0.757 4.877 4.120 -0.000 0.000 0.300 115 V C 0.077 175.898 176.094 -0.454 0.000 1.227 115 V CA 0.385 62.373 62.300 -0.519 0.000 0.954 115 V CB 1.778 32.970 31.823 -1.051 0.000 1.055 115 V HN 0.253 nan 8.190 nan 0.000 0.429 116 G N 2.884 111.495 108.800 -0.315 0.000 4.596 116 G HA2 0.235 4.195 3.960 -0.000 0.000 0.276 116 G HA3 0.235 4.195 3.960 -0.000 0.000 0.276 116 G C 0.236 175.200 174.900 0.107 0.000 1.013 116 G CA 0.488 45.566 45.100 -0.036 0.000 0.778 116 G HN 1.300 nan 8.290 nan 0.000 0.389 117 S N 0.682 116.407 115.700 0.041 0.000 2.537 117 S HA 0.532 5.002 4.470 -0.000 0.000 0.286 117 S C 0.957 175.806 174.600 0.415 0.000 1.299 117 S CA 0.417 58.741 58.200 0.206 0.000 1.067 117 S CB 1.074 64.353 63.200 0.133 0.000 0.864 117 S HN 1.901 nan 8.310 nan 0.000 0.494 118 G N 1.901 110.862 108.800 0.269 0.000 2.796 118 G HA2 0.222 4.182 3.960 -0.000 0.000 0.571 118 G HA3 0.222 4.182 3.960 -0.000 0.000 0.571 118 G C 0.342 175.383 174.900 0.236 0.000 1.370 118 G CA -0.251 45.001 45.100 0.253 0.000 0.856 118 G HN 1.914 nan 8.290 nan 0.000 0.538 119 A N 0.093 123.021 122.820 0.180 0.000 2.379 119 A HA 0.698 5.018 4.320 -0.000 0.000 0.236 119 A C 1.579 179.217 177.584 0.091 0.000 1.272 119 A CA 1.481 53.600 52.037 0.138 0.000 0.886 119 A CB -0.424 18.642 19.000 0.109 0.000 0.962 119 A HN 2.224 nan 8.150 nan 0.000 0.504 120 G N -0.867 107.980 108.800 0.077 0.000 2.535 120 G HA2 0.423 4.383 3.960 -0.000 0.000 0.282 120 G HA3 0.423 4.383 3.960 -0.000 0.000 0.282 120 G C -0.283 174.495 174.900 -0.203 0.000 1.350 120 G CA -0.072 44.933 45.100 -0.159 0.000 1.039 120 G HN 0.134 nan 8.290 nan 0.000 0.509 121 T N 0.575 114.824 114.554 -0.508 0.000 2.743 121 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 121 T C -1.230 173.228 174.700 -0.404 0.000 0.972 121 T CA 0.105 62.008 62.100 -0.329 0.000 0.967 121 T CB 0.499 69.203 68.868 -0.274 0.000 0.926 121 T HN 0.368 nan 8.240 nan 0.000 0.459 122 W N 2.503 123.798 121.300 -0.008 0.000 2.329 122 W HA 0.630 5.290 4.660 -0.000 0.000 0.312 122 W C 0.654 177.168 176.519 -0.008 0.000 1.054 122 W CA -0.301 57.071 57.345 0.045 0.000 1.245 122 W CB 1.588 31.073 29.460 0.041 0.000 1.255 122 W HN 0.947 nan 8.180 nan 0.000 0.436 123 G N 1.386 110.311 108.800 0.209 0.000 2.650 123 G HA2 0.274 4.234 3.960 -0.000 0.000 0.310 123 G HA3 0.274 4.234 3.960 -0.000 0.000 0.310 123 G C -0.564 174.388 174.900 0.088 0.000 1.270 123 G CA -1.046 44.119 45.100 0.108 0.000 0.810 123 G HN 0.291 nan 8.290 nan 0.000 0.493 124 N N 0.583 119.326 118.700 0.070 0.000 2.714 124 N HA -0.116 4.624 4.740 -0.000 0.000 0.253 124 N C -2.578 172.959 175.510 0.045 0.000 1.024 124 N CA 0.966 54.060 53.050 0.073 0.000 0.726 124 N CB -0.795 37.728 38.487 0.060 0.000 0.908 124 N HN 0.441 nan 8.380 nan 0.000 0.542 125 P HA 0.034 nan 4.420 nan 0.000 0.263 125 P C -0.563 176.703 177.300 -0.057 0.000 1.195 125 P CA 0.567 63.615 63.100 -0.088 0.000 0.762 125 P CB 0.793 32.425 31.700 -0.113 0.000 0.799 126 T N 5.061 119.576 114.554 -0.065 0.000 3.198 126 T HA 0.307 4.657 4.350 -0.000 0.000 0.352 126 T C -2.534 172.190 174.700 0.041 0.000 1.197 126 T CA -1.327 60.781 62.100 0.014 0.000 1.427 126 T CB 0.982 69.878 68.868 0.047 0.000 0.983 126 T HN 0.343 nan 8.240 nan 0.000 0.560 127 P HA 0.586 nan 4.420 nan 0.000 0.279 127 P C -0.823 176.588 177.300 0.185 0.000 1.252 127 P CA -0.656 62.463 63.100 0.032 0.000 0.811 127 P CB 1.894 33.558 31.700 -0.060 0.000 1.035 128 V N 2.473 122.551 119.914 0.272 0.000 2.777 128 V HA 0.240 4.360 4.120 -0.000 0.000 0.306 128 V C -0.969 175.308 176.094 0.305 0.000 1.112 128 V CA -0.857 61.618 62.300 0.291 0.000 0.917 128 V CB 2.445 34.463 31.823 0.325 0.000 1.018 128 V HN 0.198 nan 8.190 nan 0.000 0.426 129 V N 5.912 125.965 119.914 0.232 0.000 2.406 129 V HA 0.434 4.554 4.120 -0.000 0.000 0.272 129 V C 0.143 176.337 176.094 0.167 0.000 1.043 129 V CA -0.235 62.170 62.300 0.175 0.000 0.915 129 V CB 1.336 33.237 31.823 0.131 0.000 0.988 129 V HN 0.905 nan 8.190 nan 0.000 0.466 130 D N 2.604 123.090 120.400 0.143 0.000 2.388 130 D HA 0.191 4.831 4.640 -0.000 0.000 0.254 130 D C 0.770 177.111 176.300 0.068 0.000 1.111 130 D CA -0.551 53.532 54.000 0.139 0.000 0.993 130 D CB 1.671 42.574 40.800 0.170 0.000 1.118 130 D HN 0.516 nan 8.370 nan 0.000 0.502 131 D N -0.348 120.089 120.400 0.060 0.000 2.182 131 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 131 D C 1.088 177.395 176.300 0.012 0.000 0.986 131 D CA 0.981 55.002 54.000 0.034 0.000 0.847 131 D CB -0.055 40.764 40.800 0.031 0.000 0.942 131 D HN 0.518 nan 8.370 nan 0.000 0.467 132 D N -0.706 119.694 120.400 0.001 0.000 2.349 132 D HA -0.069 4.571 4.640 -0.000 0.000 0.224 132 D C 0.375 176.652 176.300 -0.037 0.000 1.029 132 D CA 0.041 54.029 54.000 -0.021 0.000 0.879 132 D CB -0.354 40.428 40.800 -0.030 0.000 0.906 132 D HN -0.030 nan 8.370 nan 0.000 0.528 133 N N -0.837 117.845 118.700 -0.029 0.000 2.878 133 N HA -0.163 4.577 4.740 -0.000 0.000 0.247 133 N C -1.014 174.443 175.510 -0.089 0.000 1.021 133 N CA 1.071 54.095 53.050 -0.042 0.000 0.873 133 N CB -1.994 36.467 38.487 -0.043 0.000 1.128 133 N HN 0.186 nan 8.380 nan 0.000 0.571 134 T N 1.136 115.613 114.554 -0.128 0.000 2.853 134 T HA 0.314 4.664 4.350 -0.000 0.000 0.298 134 T C 0.640 175.214 174.700 -0.210 0.000 0.978 134 T CA 0.166 62.121 62.100 -0.241 0.000 1.152 134 T CB 0.298 68.941 68.868 -0.375 0.000 0.914 134 T HN 0.169 nan 8.240 nan 0.000 0.539 135 I N 4.371 124.828 120.570 -0.189 0.000 2.312 135 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 135 I C -0.359 175.789 176.117 0.053 0.000 1.008 135 I CA -0.637 60.668 61.300 0.008 0.000 1.226 135 I CB 0.460 38.548 38.000 0.147 0.000 1.371 135 I HN 0.508 nan 8.210 nan 0.000 0.468 136 Y N 6.268 126.686 120.300 0.196 0.000 2.299 136 Y HA 0.529 5.079 4.550 -0.000 0.000 0.326 136 Y C -0.162 175.791 175.900 0.088 0.000 1.164 136 Y CA -0.581 57.605 58.100 0.143 0.000 1.234 136 Y CB 1.278 39.853 38.460 0.192 0.000 1.219 136 Y HN 0.396 nan 8.280 nan 0.000 0.497 137 L N 4.849 126.145 121.223 0.121 0.000 2.415 137 L HA 0.523 4.863 4.340 -0.000 0.000 0.268 137 L C -1.686 175.065 176.870 -0.198 0.000 0.984 137 L CA -0.532 54.236 54.840 -0.119 0.000 0.853 137 L CB 0.018 41.826 42.059 -0.419 0.000 1.215 137 L HN 0.366 nan 8.230 nan 0.000 0.419 138 F N 5.033 124.920 119.950 -0.105 0.000 2.389 138 F HA 0.612 5.139 4.527 -0.000 0.000 0.337 138 F C 0.110 175.870 175.800 -0.066 0.000 1.112 138 F CA 0.055 57.993 58.000 -0.103 0.000 1.192 138 F CB 1.004 39.907 39.000 -0.162 0.000 1.185 138 F HN 0.273 nan 8.300 nan 0.000 0.552 139 L N 1.341 122.682 121.223 0.197 0.000 2.424 139 L HA 0.464 4.804 4.340 -0.000 0.000 0.258 139 L C -0.725 176.287 176.870 0.236 0.000 0.995 139 L CA -0.776 54.180 54.840 0.194 0.000 0.821 139 L CB 2.442 44.654 42.059 0.255 0.000 1.383 139 L HN 0.441 nan 8.230 nan 0.000 0.410 140 S N 0.062 115.862 115.700 0.167 0.000 2.565 140 S HA 0.595 5.065 4.470 -0.000 0.000 0.290 140 S C -1.560 173.120 174.600 0.133 0.000 1.150 140 S CA -0.445 57.819 58.200 0.107 0.000 1.058 140 S CB 1.637 64.804 63.200 -0.054 0.000 1.032 140 S HN 0.531 nan 8.310 nan 0.000 0.510 141 W N 3.852 125.066 121.300 -0.144 0.000 3.022 141 W HA 0.561 5.221 4.660 -0.000 0.000 0.335 141 W C -1.292 175.041 176.519 -0.311 0.000 1.133 141 W CA -0.468 56.641 57.345 -0.394 0.000 1.219 141 W CB 1.094 30.131 29.460 -0.704 0.000 1.409 141 W HN 0.780 nan 8.180 nan 0.000 0.507 142 N N 3.293 121.264 118.700 -1.214 0.000 2.405 142 N HA 0.610 5.349 4.740 -0.000 0.000 0.285 142 N C -0.275 173.949 175.510 -2.144 0.000 1.262 142 N CA -0.834 51.392 53.050 -1.374 0.000 0.773 142 N CB 1.510 39.669 38.487 -0.546 0.000 1.490 142 N HN 0.624 nan 8.380 nan 0.000 0.486 143 G N -0.895 106.981 108.800 -1.541 0.000 2.636 143 G HA2 0.346 4.306 3.960 -0.000 0.000 0.246 143 G HA3 0.346 4.306 3.960 -0.000 0.000 0.246 143 G C 1.075 175.803 174.900 -0.287 0.000 1.216 143 G CA 0.043 44.692 45.100 -0.751 0.000 0.854 143 G HN 0.765 nan 8.290 nan 0.000 0.572 144 A N 0.188 122.951 122.820 -0.095 0.000 1.978 144 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 144 A C 2.269 179.846 177.584 -0.012 0.000 1.170 144 A CA 2.488 54.512 52.037 -0.022 0.000 0.636 144 A CB -0.530 18.494 19.000 0.040 0.000 0.810 144 A HN 1.156 nan 8.150 nan 0.000 0.448 145 T N -4.744 109.795 114.554 -0.024 0.000 3.134 145 T HA 0.458 4.807 4.350 -0.000 0.000 0.260 145 T C -0.167 174.317 174.700 -0.360 0.000 1.027 145 T CA -0.432 61.563 62.100 -0.174 0.000 0.913 145 T CB -0.389 68.340 68.868 -0.232 0.000 1.046 145 T HN 0.234 nan 8.240 nan 0.000 0.553 146 Y N 2.036 122.260 120.300 -0.128 0.000 2.468 146 Y HA 0.659 5.209 4.550 -0.000 0.000 0.342 146 Y C 0.492 176.311 175.900 -0.135 0.000 1.021 146 Y CA -0.895 57.127 58.100 -0.130 0.000 1.079 146 Y CB 2.205 40.592 38.460 -0.121 0.000 1.226 146 Y HN 0.305 nan 8.280 nan 0.000 0.460 147 S N 0.524 116.210 115.700 -0.024 0.000 2.618 147 S HA 0.254 4.724 4.470 -0.000 0.000 0.277 147 S C 0.371 174.954 174.600 -0.028 0.000 1.138 147 S CA -0.951 57.193 58.200 -0.093 0.000 0.844 147 S CB 1.992 64.821 63.200 -0.618 0.000 1.127 147 S HN 0.806 nan 8.310 nan 0.000 0.474 148 Q N 0.959 120.746 119.800 -0.021 0.000 2.077 148 Q HA -0.203 4.136 4.340 -0.000 0.000 0.206 148 Q C 1.043 176.919 176.000 -0.207 0.000 0.989 148 Q CA 2.350 58.028 55.803 -0.209 0.000 0.853 148 Q CB -0.243 28.093 28.738 -0.670 0.000 0.907 148 Q HN 0.761 nan 8.270 nan 0.000 0.418 149 N N -0.691 117.884 118.700 -0.208 0.000 2.395 149 N HA 0.116 4.856 4.740 -0.000 0.000 0.175 149 N C 0.392 175.807 175.510 -0.159 0.000 1.029 149 N CA 1.033 53.975 53.050 -0.180 0.000 0.897 149 N CB 0.555 38.941 38.487 -0.170 0.000 0.991 149 N HN 0.389 nan 8.380 nan 0.000 0.441 150 G N 1.478 110.160 108.800 -0.196 0.000 2.787 150 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.685 150 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.685 150 G C -0.300 174.471 174.900 -0.214 0.000 1.437 150 G CA -0.035 44.949 45.100 -0.193 0.000 0.872 150 G HN 0.221 nan 8.290 nan 0.000 0.566 151 K N -0.937 119.340 120.400 -0.205 0.000 3.088 151 K HA -0.173 4.147 4.320 -0.000 0.000 0.273 151 K C 0.051 176.533 176.600 -0.196 0.000 1.111 151 K CA 1.505 57.688 56.287 -0.173 0.000 0.803 151 K CB -1.070 31.356 32.500 -0.123 0.000 1.226 151 K HN 0.706 nan 8.250 nan 0.000 0.485 152 D N 0.750 120.965 120.400 -0.309 0.000 2.264 152 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 152 D C 0.217 176.396 176.300 -0.202 0.000 1.070 152 D CA -0.265 53.538 54.000 -0.329 0.000 0.912 152 D CB 1.502 41.790 40.800 -0.853 0.000 1.193 152 D HN -0.184 nan 8.370 nan 0.000 0.427 153 V N 3.192 123.072 119.914 -0.057 0.000 2.406 153 V HA 0.192 4.311 4.120 -0.000 0.000 0.272 153 V C 0.778 176.921 176.094 0.082 0.000 1.043 153 V CA -0.604 61.689 62.300 -0.011 0.000 0.915 153 V CB 0.853 32.666 31.823 -0.016 0.000 0.988 153 V HN 0.304 nan 8.190 nan 0.000 0.466 154 L N 6.520 127.779 121.223 0.059 0.000 2.475 154 L HA 0.267 4.607 4.340 -0.000 0.000 0.253 154 L C -1.058 175.819 176.870 0.011 0.000 1.198 154 L CA -1.402 53.490 54.840 0.087 0.000 0.814 154 L CB 0.392 42.485 42.059 0.056 0.000 1.134 154 L HN 0.399 nan 8.230 nan 0.000 0.478 155 P HA -0.178 nan 4.420 nan 0.000 0.217 155 P C 0.479 177.725 177.300 -0.091 0.000 1.148 155 P CA 1.178 64.223 63.100 -0.092 0.000 0.828 155 P CB -0.019 31.561 31.700 -0.200 0.000 0.783 156 D N -2.127 118.227 120.400 -0.077 0.000 2.328 156 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 156 D C 1.373 177.645 176.300 -0.047 0.000 1.066 156 D CA 0.468 54.429 54.000 -0.065 0.000 0.861 156 D CB -0.846 39.918 40.800 -0.060 0.000 0.912 156 D HN 0.233 nan 8.370 nan 0.000 0.521 157 G N -0.422 108.353 108.800 -0.042 0.000 2.199 157 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 157 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 157 G C 0.488 175.364 174.900 -0.041 0.000 0.982 157 G CA 0.291 45.368 45.100 -0.038 0.000 0.632 157 G HN 0.465 nan 8.290 nan 0.000 0.529 158 T N 1.262 115.792 114.554 -0.041 0.000 2.928 158 T HA 0.418 4.767 4.350 -0.000 0.000 0.305 158 T C 0.625 175.284 174.700 -0.068 0.000 1.035 158 T CA 0.349 62.418 62.100 -0.052 0.000 1.145 158 T CB 1.960 70.798 68.868 -0.049 0.000 0.963 158 T HN 0.564 nan 8.240 nan 0.000 0.545 159 V N 4.639 124.499 119.914 -0.089 0.000 2.407 159 V HA 0.347 4.467 4.120 -0.000 0.000 0.278 159 V C 1.018 177.013 176.094 -0.164 0.000 1.037 159 V CA -1.041 61.189 62.300 -0.117 0.000 0.900 159 V CB 1.123 32.885 31.823 -0.103 0.000 0.983 159 V HN 1.105 nan 8.190 nan 0.000 0.459 160 T N 2.653 117.078 114.554 -0.216 0.000 2.899 160 T HA 0.414 4.764 4.350 -0.000 0.000 0.295 160 T C -0.182 174.348 174.700 -0.284 0.000 1.033 160 T CA -0.689 61.242 62.100 -0.281 0.000 1.084 160 T CB 0.650 69.304 68.868 -0.356 0.000 0.979 160 T HN 0.599 nan 8.240 nan 0.000 0.532 161 K N 1.151 121.318 120.400 -0.389 0.000 2.144 161 K HA 0.315 4.635 4.320 -0.000 0.000 0.270 161 K C 0.201 176.714 176.600 -0.145 0.000 1.005 161 K CA -0.845 55.250 56.287 -0.320 0.000 0.932 161 K CB 0.979 33.157 32.500 -0.536 0.000 1.021 161 K HN 0.571 nan 8.250 nan 0.000 0.462 162 K N 2.825 123.205 120.400 -0.034 0.000 2.350 162 K HA 0.066 4.386 4.320 -0.000 0.000 0.279 162 K C 0.032 176.749 176.600 0.195 0.000 1.027 162 K CA -0.473 55.833 56.287 0.031 0.000 0.969 162 K CB 0.453 32.947 32.500 -0.009 0.000 0.954 162 K HN 0.446 nan 8.250 nan 0.000 0.474 163 I N 5.179 125.865 120.570 0.194 0.000 2.906 163 I HA -0.192 3.978 4.170 -0.000 0.000 0.301 163 I C 0.516 176.709 176.117 0.127 0.000 1.221 163 I CA 0.970 62.385 61.300 0.192 0.000 1.435 163 I CB -0.510 37.641 38.000 0.251 0.000 1.345 163 I HN 0.784 nan 8.210 nan 0.000 0.558 164 D N 3.215 123.659 120.400 0.072 0.000 2.758 164 D HA 0.258 4.898 4.640 -0.000 0.000 0.279 164 D C 0.424 176.750 176.300 0.044 0.000 1.111 164 D CA -0.499 53.541 54.000 0.067 0.000 1.109 164 D CB 0.603 41.462 40.800 0.098 0.000 1.428 164 D HN 0.322 nan 8.370 nan 0.000 0.586 165 S N -1.933 113.805 115.700 0.064 0.000 2.593 165 S HA 0.121 4.590 4.470 -0.000 0.000 0.217 165 S C 0.834 175.491 174.600 0.095 0.000 0.966 165 S CA 0.099 58.349 58.200 0.083 0.000 0.914 165 S CB -1.330 61.926 63.200 0.093 0.000 0.776 165 S HN 0.744 nan 8.310 nan 0.000 0.523 166 T N -2.229 112.374 114.554 0.083 0.000 2.860 166 T HA 0.107 4.457 4.350 -0.000 0.000 0.299 166 T C 0.753 175.559 174.700 0.177 0.000 1.045 166 T CA -0.749 61.428 62.100 0.128 0.000 1.071 166 T CB 0.401 69.341 68.868 0.119 0.000 0.985 166 T HN 0.507 nan 8.240 nan 0.000 0.537 167 W N 2.181 123.504 121.300 0.039 0.000 2.335 167 W HA -0.210 4.450 4.660 -0.000 0.000 0.311 167 W C 2.104 178.744 176.519 0.201 0.000 1.213 167 W CA 1.972 59.373 57.345 0.093 0.000 1.274 167 W CB -0.017 29.494 29.460 0.085 0.000 1.148 167 W HN 1.032 nan 8.180 nan 0.000 0.498 168 E N -0.552 119.727 120.200 0.131 0.000 2.150 168 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 168 E C 2.013 178.405 176.600 -0.347 0.000 0.985 168 E CA 1.534 57.925 56.400 -0.015 0.000 0.814 168 E CB -0.942 28.837 29.700 0.132 0.000 0.752 168 E HN 0.236 nan 8.360 nan 0.000 0.466 169 G N 1.790 110.297 108.800 -0.487 0.000 3.126 169 G HA2 0.022 3.982 3.960 -0.000 0.000 0.224 169 G HA3 0.022 3.982 3.960 -0.000 0.000 0.224 169 G C 0.669 175.245 174.900 -0.540 0.000 1.142 169 G CA -0.375 44.033 45.100 -1.153 0.000 0.759 169 G HN 0.220 nan 8.290 nan 0.000 0.550 170 R N -0.126 120.244 120.500 -0.217 0.000 2.546 170 R HA 0.550 4.890 4.340 -0.000 0.000 0.266 170 R C -0.528 175.748 176.300 -0.040 0.000 1.086 170 R CA -0.821 55.222 56.100 -0.094 0.000 1.160 170 R CB 0.901 31.163 30.300 -0.064 0.000 1.138 170 R HN -0.204 nan 8.270 nan 0.000 0.567 171 R N 1.473 121.930 120.500 -0.072 0.000 2.298 171 R HA 0.192 4.532 4.340 -0.000 0.000 0.310 171 R C -0.192 176.090 176.300 -0.030 0.000 1.068 171 R CA -0.214 55.823 56.100 -0.105 0.000 0.957 171 R CB 0.606 30.678 30.300 -0.379 0.000 1.003 171 R HN 0.663 nan 8.270 nan 0.000 0.454 172 H N 1.686 120.734 119.070 -0.036 0.000 2.525 172 H HA 0.304 4.860 4.556 -0.000 0.000 0.340 172 H C -0.497 174.830 175.328 -0.002 0.000 1.168 172 H CA -0.891 55.123 56.048 -0.057 0.000 1.247 172 H CB 2.252 31.981 29.762 -0.055 0.000 1.568 172 H HN 0.160 nan 8.280 nan 0.000 0.536 173 L N 2.569 123.796 121.223 0.007 0.000 2.325 173 L HA 0.296 4.636 4.340 -0.000 0.000 0.281 173 L C -1.674 175.181 176.870 -0.025 0.000 1.004 173 L CA -0.343 54.522 54.840 0.041 0.000 0.823 173 L CB 0.466 42.513 42.059 -0.020 0.000 1.236 173 L HN 0.436 nan 8.230 nan 0.000 0.415 174 Y N 4.392 124.759 120.300 0.113 0.000 2.509 174 Y HA 0.705 5.255 4.550 -0.000 0.000 0.341 174 Y C -0.794 175.085 175.900 -0.035 0.000 1.038 174 Y CA -0.617 57.540 58.100 0.096 0.000 1.089 174 Y CB 2.191 40.808 38.460 0.262 0.000 1.241 174 Y HN 0.528 nan 8.280 nan 0.000 0.468 175 L N 1.934 123.175 121.223 0.031 0.000 2.385 175 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 175 L C -0.592 176.249 176.870 -0.048 0.000 0.990 175 L CA -0.119 54.564 54.840 -0.261 0.000 0.821 175 L CB 2.010 43.734 42.059 -0.558 0.000 1.279 175 L HN 0.663 nan 8.230 nan 0.000 0.412 176 T N 3.585 118.114 114.554 -0.042 0.000 2.916 176 T HA 0.818 5.168 4.350 -0.000 0.000 0.292 176 T C -1.412 173.426 174.700 0.229 0.000 1.055 176 T CA -0.416 61.743 62.100 0.098 0.000 1.009 176 T CB 1.244 70.157 68.868 0.075 0.000 1.118 176 T HN 0.792 nan 8.240 nan 0.000 0.497 177 E N 0.995 121.354 120.200 0.266 0.000 2.429 177 E HA 0.574 4.924 4.350 -0.000 0.000 0.276 177 E C -1.516 175.000 176.600 -0.139 0.000 0.953 177 E CA -0.876 55.613 56.400 0.148 0.000 0.787 177 E CB 1.649 31.305 29.700 -0.074 0.000 1.307 177 E HN 0.441 nan 8.360 nan 0.000 0.458 178 S N -0.069 115.303 115.700 -0.547 0.000 2.500 178 S HA 0.485 4.955 4.470 -0.000 0.000 0.301 178 S C -0.068 174.250 174.600 -0.469 0.000 1.092 178 S CA -0.677 57.028 58.200 -0.826 0.000 1.030 178 S CB 0.834 63.065 63.200 -1.616 0.000 1.031 178 S HN 0.460 nan 8.310 nan 0.000 0.483 179 R N 2.282 122.572 120.500 -0.349 0.000 2.437 179 R HA 0.207 4.547 4.340 -0.000 0.000 0.257 179 R C -0.587 175.593 176.300 -0.199 0.000 0.927 179 R CA 0.136 56.096 56.100 -0.233 0.000 1.078 179 R CB -0.133 30.067 30.300 -0.166 0.000 1.161 179 R HN 0.746 nan 8.270 nan 0.000 0.529 180 D N -0.571 119.683 120.400 -0.244 0.000 2.957 180 D HA 0.097 4.737 4.640 -0.000 0.000 0.352 180 D C -0.317 175.881 176.300 -0.169 0.000 1.352 180 D CA -0.622 53.272 54.000 -0.176 0.000 0.831 180 D CB 0.141 40.852 40.800 -0.147 0.000 1.147 180 D HN -0.211 nan 8.370 nan 0.000 0.467 181 D N 0.246 120.544 120.400 -0.171 0.000 2.837 181 D HA -0.153 4.486 4.640 -0.000 0.000 0.230 181 D C 1.355 177.596 176.300 -0.099 0.000 1.152 181 D CA 1.889 55.822 54.000 -0.112 0.000 0.736 181 D CB -1.261 39.496 40.800 -0.071 0.000 1.084 181 D HN 0.784 nan 8.370 nan 0.000 0.429 182 G N -0.665 107.987 108.800 -0.247 0.000 2.176 182 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.253 182 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.253 182 G C 1.008 175.876 174.900 -0.053 0.000 0.979 182 G CA 0.815 45.793 45.100 -0.204 0.000 0.641 182 G HN 0.550 nan 8.290 nan 0.000 0.530 183 N N 0.811 119.455 118.700 -0.093 0.000 2.120 183 N HA 0.038 4.778 4.740 -0.000 0.000 0.188 183 N C 1.320 176.853 175.510 0.038 0.000 1.024 183 N CA 2.373 55.440 53.050 0.027 0.000 0.852 183 N CB -0.013 38.458 38.487 -0.026 0.000 1.003 183 N HN 0.959 nan 8.380 nan 0.000 0.424 184 T N -3.966 110.469 114.554 -0.199 0.000 2.896 184 T HA 0.579 4.929 4.350 -0.000 0.000 0.297 184 T C -1.346 173.050 174.700 -0.505 0.000 1.108 184 T CA -0.860 61.154 62.100 -0.144 0.000 1.004 184 T CB 1.139 69.972 68.868 -0.059 0.000 1.159 184 T HN 0.123 nan 8.240 nan 0.000 0.499 185 W N 1.365 122.652 121.300 -0.021 0.000 2.819 185 W HA 0.601 5.261 4.660 -0.000 0.000 0.337 185 W C 0.466 176.954 176.519 -0.051 0.000 1.077 185 W CA -0.720 56.590 57.345 -0.059 0.000 1.226 185 W CB 2.030 31.433 29.460 -0.095 0.000 1.419 185 W HN 0.989 nan 8.180 nan 0.000 0.502 186 S N 1.663 117.456 115.700 0.155 0.000 2.593 186 S HA 0.238 4.708 4.470 -0.000 0.000 0.269 186 S C 0.095 174.743 174.600 0.079 0.000 1.334 186 S CA -0.767 57.484 58.200 0.086 0.000 1.015 186 S CB 0.977 64.215 63.200 0.064 0.000 0.912 186 S HN 0.483 nan 8.310 nan 0.000 0.541 187 K N 1.864 122.290 120.400 0.043 0.000 2.436 187 K HA 0.150 4.470 4.320 -0.000 0.000 0.282 187 K C -2.460 174.159 176.600 0.032 0.000 1.044 187 K CA -1.369 54.923 56.287 0.008 0.000 1.028 187 K CB -0.244 32.267 32.500 0.018 0.000 0.919 187 K HN 0.395 nan 8.250 nan 0.000 0.474 188 P HA -0.042 nan 4.420 nan 0.000 0.265 188 P C -1.148 176.344 177.300 0.321 0.000 1.193 188 P CA -0.267 62.896 63.100 0.104 0.000 0.765 188 P CB 0.749 32.406 31.700 -0.072 0.000 0.823 189 V N 3.339 123.429 119.914 0.294 0.000 2.435 189 V HA 0.182 4.302 4.120 -0.000 0.000 0.290 189 V C 0.278 176.380 176.094 0.012 0.000 1.030 189 V CA -0.489 61.922 62.300 0.184 0.000 0.881 189 V CB 1.569 33.449 31.823 0.094 0.000 0.983 189 V HN 0.486 nan 8.190 nan 0.000 0.445 190 D N 4.221 124.488 120.400 -0.222 0.000 2.338 190 D HA 0.209 4.849 4.640 -0.000 0.000 0.255 190 D C 0.353 176.511 176.300 -0.237 0.000 1.237 190 D CA 0.167 53.777 54.000 -0.651 0.000 0.883 190 D CB 1.118 41.616 40.800 -0.503 0.000 1.087 190 D HN 0.476 nan 8.370 nan 0.000 0.485 191 L N 3.320 124.410 121.223 -0.222 0.000 2.910 191 L HA 0.062 4.402 4.340 -0.000 0.000 0.252 191 L C 1.927 178.750 176.870 -0.078 0.000 1.195 191 L CA -0.146 54.639 54.840 -0.092 0.000 1.003 191 L CB 0.228 42.243 42.059 -0.073 0.000 1.328 191 L HN 0.313 nan 8.230 nan 0.000 0.540 192 T N -0.314 114.185 114.554 -0.092 0.000 2.665 192 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 192 T C 1.925 176.602 174.700 -0.037 0.000 1.035 192 T CA 1.230 63.277 62.100 -0.088 0.000 1.151 192 T CB -0.008 68.754 68.868 -0.176 0.000 0.862 192 T HN 0.149 nan 8.240 nan 0.000 0.438 193 K N 1.041 121.458 120.400 0.028 0.000 2.147 193 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 193 K C 2.190 178.757 176.600 -0.055 0.000 1.049 193 K CA 1.069 57.342 56.287 -0.024 0.000 0.936 193 K CB -0.303 32.160 32.500 -0.062 0.000 0.722 193 K HN 0.577 nan 8.250 nan 0.000 0.446 194 E N 0.055 120.229 120.200 -0.042 0.000 2.102 194 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 194 E C 1.226 177.792 176.600 -0.056 0.000 0.971 194 E CA 0.440 56.821 56.400 -0.031 0.000 0.821 194 E CB 0.360 30.067 29.700 0.011 0.000 0.777 194 E HN 0.148 nan 8.360 nan 0.000 0.460 195 L N 0.338 121.509 121.223 -0.086 0.000 2.966 195 L HA 0.261 4.601 4.340 -0.000 0.000 0.262 195 L C -0.266 176.478 176.870 -0.211 0.000 1.165 195 L CA -0.131 54.636 54.840 -0.122 0.000 0.978 195 L CB 1.487 43.488 42.059 -0.098 0.000 1.337 195 L HN -0.097 nan 8.230 nan 0.000 0.563 196 T N 0.635 115.045 114.554 -0.239 0.000 2.807 196 T HA 0.415 4.765 4.350 -0.000 0.000 0.279 196 T C -2.516 171.887 174.700 -0.494 0.000 0.993 196 T CA -1.399 60.467 62.100 -0.390 0.000 0.970 196 T CB 2.041 70.752 68.868 -0.262 0.000 0.950 196 T HN -0.238 nan 8.240 nan 0.000 0.441 197 P HA 0.127 nan 4.420 nan 0.000 0.266 197 P C -0.335 176.691 177.300 -0.457 0.000 1.195 197 P CA -0.273 62.373 63.100 -0.755 0.000 0.768 197 P CB 0.387 31.363 31.700 -1.207 0.000 0.838 198 D N 1.275 121.555 120.400 -0.199 0.000 2.423 198 D HA 0.247 4.887 4.640 -0.000 0.000 0.238 198 D C 1.640 177.986 176.300 0.077 0.000 1.142 198 D CA 1.543 55.514 54.000 -0.047 0.000 0.884 198 D CB 0.054 40.837 40.800 -0.028 0.000 1.199 198 D HN 0.648 nan 8.370 nan 0.000 0.438 199 G N 0.563 109.439 108.800 0.128 0.000 2.179 199 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 199 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 199 G C -0.084 174.997 174.900 0.302 0.000 0.977 199 G CA -0.070 45.142 45.100 0.186 0.000 0.641 199 G HN 0.371 nan 8.290 nan 0.000 0.533 200 W N 0.409 121.708 121.300 -0.001 0.000 2.170 200 W HA 0.702 5.362 4.660 -0.000 0.000 0.336 200 W C 0.929 177.447 176.519 -0.003 0.000 1.283 200 W CA 0.285 57.628 57.345 -0.004 0.000 1.224 200 W CB 1.016 30.459 29.460 -0.028 0.000 1.132 200 W HN 0.345 nan 8.180 nan 0.000 0.571 201 A N 3.746 126.656 122.820 0.150 0.000 2.213 201 A HA 0.149 4.469 4.320 -0.000 0.000 0.220 201 A C 0.175 177.834 177.584 0.125 0.000 2.232 201 A CA -0.300 51.801 52.037 0.106 0.000 1.017 201 A CB -0.866 18.183 19.000 0.081 0.000 1.372 201 A HN 0.674 nan 8.150 nan 0.000 0.614 202 W N 1.515 122.775 121.300 -0.067 0.000 2.170 202 W HA 0.418 5.078 4.660 -0.000 0.000 0.342 202 W C -1.066 175.445 176.519 -0.014 0.000 1.294 202 W CA 1.481 58.789 57.345 -0.062 0.000 1.246 202 W CB 0.647 30.043 29.460 -0.107 0.000 1.156 202 W HN 0.535 nan 8.180 nan 0.000 0.572 203 D N 2.390 122.306 120.400 -0.807 0.000 2.622 203 D HA 0.664 5.304 4.640 -0.000 0.000 0.255 203 D C -1.886 173.978 176.300 -0.727 0.000 1.246 203 D CA -0.418 53.323 54.000 -0.432 0.000 0.795 203 D CB 1.676 42.448 40.800 -0.047 0.000 1.369 203 D HN 0.461 nan 8.370 nan 0.000 0.425 204 A N 0.597 123.259 122.820 -0.263 0.000 2.566 204 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 204 A C -1.742 175.811 177.584 -0.052 0.000 1.059 204 A CA -0.596 51.344 52.037 -0.162 0.000 0.691 204 A CB 1.527 20.522 19.000 -0.009 0.000 1.282 204 A HN 0.540 nan 8.150 nan 0.000 0.401 205 V N 2.469 122.361 119.914 -0.037 0.000 2.581 205 V HA 0.739 4.859 4.120 -0.000 0.000 0.303 205 V C 1.140 177.231 176.094 -0.005 0.000 1.041 205 V CA 1.296 63.574 62.300 -0.037 0.000 0.907 205 V CB 1.166 32.965 31.823 -0.040 0.000 0.994 205 V HN 2.776 nan 8.190 nan 0.000 0.442 206 G N 7.445 116.235 108.800 -0.016 0.000 2.672 206 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.324 206 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.324 206 G C -2.290 172.627 174.900 0.030 0.000 1.286 206 G CA 0.388 45.495 45.100 0.012 0.000 1.004 206 G HN 0.852 nan 8.290 nan 0.000 0.548 207 P HA 0.522 nan 4.420 nan 0.000 0.282 207 P C 0.625 177.962 177.300 0.063 0.000 1.259 207 P CA 1.258 64.403 63.100 0.075 0.000 0.826 207 P CB 1.534 33.322 31.700 0.147 0.000 1.064 208 G N 1.114 109.958 108.800 0.073 0.000 2.340 208 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.106 208 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.106 208 G C -0.671 174.290 174.900 0.101 0.000 2.445 208 G CA 0.082 45.235 45.100 0.089 0.000 1.363 208 G HN 0.920 nan 8.290 nan 0.000 0.412 209 N N 0.495 119.253 118.700 0.096 0.000 2.935 209 N HA 0.518 5.258 4.740 -0.000 0.000 0.248 209 N C -0.107 175.468 175.510 0.108 0.000 1.276 209 N CA 0.168 53.288 53.050 0.116 0.000 0.906 209 N CB 1.183 39.757 38.487 0.144 0.000 1.564 209 N HN 1.050 nan 8.380 nan 0.000 0.500 210 G N -0.078 108.797 108.800 0.125 0.000 2.557 210 G HA2 0.746 4.706 3.960 -0.000 0.000 0.302 210 G HA3 0.746 4.706 3.960 -0.000 0.000 0.302 210 G C -0.059 174.932 174.900 0.152 0.000 1.311 210 G CA -0.977 44.197 45.100 0.124 0.000 1.030 210 G HN 0.821 nan 8.290 nan 0.000 0.509 211 I N -3.077 117.585 120.570 0.153 0.000 3.074 211 I HA 0.744 4.914 4.170 -0.000 0.000 0.310 211 I C -0.861 175.347 176.117 0.152 0.000 1.153 211 I CA -1.392 59.998 61.300 0.149 0.000 0.993 211 I CB 2.634 40.719 38.000 0.141 0.000 1.237 211 I HN 0.340 nan 8.210 nan 0.000 0.443 212 R N 4.237 124.817 120.500 0.133 0.000 2.343 212 R HA 0.596 4.936 4.340 -0.000 0.000 0.320 212 R C -1.347 175.009 176.300 0.094 0.000 0.956 212 R CA -0.707 55.464 56.100 0.118 0.000 0.836 212 R CB 1.369 31.737 30.300 0.113 0.000 1.151 212 R HN 0.814 nan 8.270 nan 0.000 0.450 213 L N 2.673 123.948 121.223 0.086 0.000 2.453 213 L HA 0.171 4.511 4.340 -0.000 0.000 0.261 213 L C 2.104 179.007 176.870 0.055 0.000 1.179 213 L CA -0.233 54.650 54.840 0.071 0.000 0.813 213 L CB 0.964 43.064 42.059 0.068 0.000 1.110 213 L HN 0.771 nan 8.230 nan 0.000 0.466 214 T N -3.566 111.016 114.554 0.046 0.000 2.737 214 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 214 T C 1.393 176.111 174.700 0.031 0.000 1.040 214 T CA 1.828 63.950 62.100 0.036 0.000 1.142 214 T CB -0.719 68.167 68.868 0.030 0.000 0.861 214 T HN 0.835 nan 8.240 nan 0.000 0.456 215 T N -2.203 112.369 114.554 0.031 0.000 3.129 215 T HA 0.523 4.873 4.350 -0.000 0.000 0.251 215 T C 1.816 176.531 174.700 0.025 0.000 1.117 215 T CA 0.451 62.566 62.100 0.024 0.000 1.034 215 T CB -0.084 68.797 68.868 0.021 0.000 0.968 215 T HN 0.920 nan 8.240 nan 0.000 0.526 216 G N 0.812 109.633 108.800 0.033 0.000 2.238 216 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 216 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 216 G C -0.190 174.731 174.900 0.036 0.000 0.996 216 G CA -0.303 44.817 45.100 0.032 0.000 0.632 216 G HN 0.582 nan 8.290 nan 0.000 0.503 217 E N 0.413 120.637 120.200 0.039 0.000 2.374 217 E HA 0.657 5.006 4.350 -0.000 0.000 0.260 217 E C 0.695 177.341 176.600 0.076 0.000 1.101 217 E CA -0.190 56.234 56.400 0.040 0.000 0.907 217 E CB 0.863 30.589 29.700 0.043 0.000 1.014 217 E HN 0.400 nan 8.360 nan 0.000 0.427 218 L N 1.214 122.492 121.223 0.092 0.000 2.325 218 L HA 0.533 4.873 4.340 -0.000 0.000 0.279 218 L C -0.771 176.202 176.870 0.173 0.000 1.054 218 L CA -1.079 53.861 54.840 0.167 0.000 0.804 218 L CB 1.091 43.306 42.059 0.261 0.000 1.200 218 L HN 0.208 nan 8.230 nan 0.000 0.436 219 V N 3.906 123.915 119.914 0.158 0.000 2.577 219 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 219 V C -0.457 175.680 176.094 0.071 0.000 1.042 219 V CA -0.376 61.995 62.300 0.118 0.000 0.872 219 V CB 2.068 33.968 31.823 0.128 0.000 0.998 219 V HN 0.459 nan 8.190 nan 0.000 0.423 220 I N 7.535 128.084 120.570 -0.035 0.000 2.382 220 I HA 0.482 4.652 4.170 -0.000 0.000 0.286 220 I C -2.355 173.673 176.117 -0.149 0.000 1.002 220 I CA -1.939 59.269 61.300 -0.153 0.000 1.135 220 I CB 2.360 40.061 38.000 -0.499 0.000 1.288 220 I HN 0.426 nan 8.210 nan 0.000 0.448 221 P HA 0.488 nan 4.420 nan 0.000 0.279 221 P C -0.976 176.270 177.300 -0.088 0.000 1.239 221 P CA -0.195 62.871 63.100 -0.056 0.000 0.789 221 P CB 1.828 33.532 31.700 0.006 0.000 0.933 222 A N 3.321 126.093 122.820 -0.079 0.000 2.567 222 A HA 0.611 4.931 4.320 -0.000 0.000 0.289 222 A C -0.391 177.190 177.584 -0.004 0.000 1.177 222 A CA -1.066 50.935 52.037 -0.060 0.000 0.694 222 A CB 0.988 19.923 19.000 -0.108 0.000 1.292 222 A HN 0.577 nan 8.150 nan 0.000 0.425 223 M N 1.417 121.051 119.600 0.056 0.000 2.327 223 M HA 0.382 4.862 4.480 -0.000 0.000 0.353 223 M C 1.203 177.629 176.300 0.211 0.000 1.539 223 M CA 2.220 57.590 55.300 0.117 0.000 1.039 223 M CB -0.284 32.416 32.600 0.167 0.000 1.967 223 M HN 2.162 nan 8.290 nan 0.000 0.459 224 G N 4.389 113.246 108.800 0.096 0.000 2.180 224 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.263 224 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.263 224 G C -0.114 174.832 174.900 0.077 0.000 0.989 224 G CA 0.966 46.138 45.100 0.119 0.000 0.692 224 G HN 1.009 nan 8.290 nan 0.000 0.526 225 R N -1.985 118.519 120.500 0.008 0.000 2.709 225 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 225 R C -1.550 174.698 176.300 -0.087 0.000 1.038 225 R CA -1.064 55.006 56.100 -0.049 0.000 0.872 225 R CB 0.264 30.520 30.300 -0.072 0.000 1.259 225 R HN 0.014 nan 8.270 nan 0.000 0.473 226 N N 1.268 119.910 118.700 -0.097 0.000 2.487 226 N HA 0.462 5.202 4.740 -0.000 0.000 0.292 226 N C -0.564 174.893 175.510 -0.087 0.000 1.108 226 N CA -0.492 52.507 53.050 -0.086 0.000 0.956 226 N CB 1.505 39.968 38.487 -0.040 0.000 1.176 226 N HN 0.440 nan 8.380 nan 0.000 0.484 227 I N 2.318 122.807 120.570 -0.135 0.000 2.321 227 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 227 I C -0.267 175.862 176.117 0.019 0.000 0.998 227 I CA -0.605 60.616 61.300 -0.133 0.000 1.227 227 I CB 1.009 38.760 38.000 -0.415 0.000 1.368 227 I HN 0.162 nan 8.210 nan 0.000 0.466 228 I N 5.410 126.062 120.570 0.136 0.000 2.354 228 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 228 I C 0.613 176.880 176.117 0.250 0.000 0.989 228 I CA -0.452 60.950 61.300 0.170 0.000 1.188 228 I CB 1.272 39.332 38.000 0.100 0.000 1.342 228 I HN 0.560 nan 8.210 nan 0.000 0.457 229 G N 6.576 115.483 108.800 0.178 0.000 2.335 229 G HA2 0.669 4.629 3.960 -0.000 0.000 0.316 229 G HA3 0.669 4.629 3.960 -0.000 0.000 0.316 229 G C -0.239 174.534 174.900 -0.211 0.000 1.129 229 G CA -0.550 44.391 45.100 -0.264 0.000 0.899 229 G HN 0.540 nan 8.290 nan 0.000 0.448 230 R N 0.924 121.259 120.500 -0.276 0.000 2.854 230 R HA 0.804 5.144 4.340 -0.000 0.000 0.271 230 R C 0.426 176.616 176.300 -0.182 0.000 0.994 230 R CA 0.233 56.238 56.100 -0.159 0.000 0.945 230 R CB 2.229 32.474 30.300 -0.093 0.000 1.194 230 R HN 1.122 nan 8.270 nan 0.000 0.476 231 G N 0.439 109.175 108.800 -0.106 0.000 2.512 231 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.210 231 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.210 231 G C -0.956 173.906 174.900 -0.063 0.000 1.295 231 G CA -0.486 44.562 45.100 -0.087 0.000 0.934 231 G HN 0.778 nan 8.290 nan 0.000 0.554 232 A N 1.283 124.073 122.820 -0.050 0.000 2.488 232 A HA 0.628 4.948 4.320 -0.000 0.000 0.249 232 A C -1.752 175.830 177.584 -0.004 0.000 1.083 232 A CA -0.155 51.868 52.037 -0.023 0.000 0.768 232 A CB -0.234 18.756 19.000 -0.018 0.000 1.017 232 A HN 0.554 nan 8.150 nan 0.000 0.496 233 P HA 0.148 nan 4.420 nan 0.000 0.261 233 P C 1.121 178.448 177.300 0.044 0.000 1.183 233 P CA 2.148 65.274 63.100 0.045 0.000 0.761 233 P CB 0.520 32.236 31.700 0.027 0.000 0.785 234 G N 3.013 111.876 108.800 0.104 0.000 2.184 234 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 234 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 234 G C 0.609 175.573 174.900 0.107 0.000 0.975 234 G CA 0.361 45.461 45.100 0.000 0.000 0.642 234 G HN 0.635 nan 8.290 nan 0.000 0.536 235 N N -0.243 118.526 118.700 0.116 0.000 2.588 235 N HA 0.216 4.956 4.740 -0.000 0.000 0.298 235 N C 0.499 175.990 175.510 -0.031 0.000 1.718 235 N CA -0.490 52.601 53.050 0.068 0.000 0.888 235 N CB 0.221 38.719 38.487 0.019 0.000 1.389 235 N HN 0.214 nan 8.380 nan 0.000 0.491 236 R N 0.086 120.522 120.500 -0.107 0.000 2.594 236 R HA 0.255 4.595 4.340 -0.000 0.000 0.272 236 R C 0.225 176.124 176.300 -0.669 0.000 1.074 236 R CA 0.021 55.826 56.100 -0.493 0.000 1.105 236 R CB 0.080 29.787 30.300 -0.988 0.000 1.008 236 R HN 0.362 nan 8.270 nan 0.000 0.472 237 T N -1.407 112.806 114.554 -0.568 0.000 2.875 237 T HA 0.548 4.898 4.350 -0.000 0.000 0.284 237 T C -0.388 173.987 174.700 -0.541 0.000 0.995 237 T CA -0.772 61.056 62.100 -0.453 0.000 1.060 237 T CB 0.878 69.636 68.868 -0.183 0.000 0.967 237 T HN 0.484 nan 8.240 nan 0.000 0.476 238 W N 1.481 122.780 121.300 -0.001 0.000 2.606 238 W HA 0.614 5.274 4.660 -0.000 0.000 0.332 238 W C 0.276 176.786 176.519 -0.015 0.000 1.052 238 W CA -0.700 56.643 57.345 -0.004 0.000 1.223 238 W CB 1.971 31.448 29.460 0.027 0.000 1.383 238 W HN 1.038 nan 8.180 nan 0.000 0.524 239 S N 0.038 115.876 115.700 0.229 0.000 2.651 239 S HA 0.806 5.276 4.470 -0.000 0.000 0.279 239 S C -1.498 173.141 174.600 0.066 0.000 1.148 239 S CA -1.023 57.242 58.200 0.108 0.000 0.837 239 S CB 1.523 64.758 63.200 0.060 0.000 1.138 239 S HN 0.220 nan 8.310 nan 0.000 0.478 240 V N 1.697 121.617 119.914 0.010 0.000 2.435 240 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 240 V C -0.245 175.840 176.094 -0.014 0.000 1.030 240 V CA -0.480 61.800 62.300 -0.032 0.000 0.881 240 V CB 1.314 33.082 31.823 -0.091 0.000 0.983 240 V HN 0.943 nan 8.190 nan 0.000 0.445 241 Q N 5.076 124.871 119.800 -0.009 0.000 2.430 241 Q HA 0.348 4.688 4.340 -0.000 0.000 0.245 241 Q C -0.391 175.603 176.000 -0.010 0.000 1.021 241 Q CA -0.814 54.999 55.803 0.015 0.000 0.867 241 Q CB 0.602 29.373 28.738 0.055 0.000 1.210 241 Q HN 0.571 nan 8.270 nan 0.000 0.487 242 R N 3.276 123.775 120.500 -0.001 0.000 2.543 242 R HA 0.312 4.652 4.340 -0.000 0.000 0.277 242 R C -0.544 175.771 176.300 0.025 0.000 1.074 242 R CA 0.009 56.112 56.100 0.004 0.000 1.076 242 R CB 0.218 30.527 30.300 0.015 0.000 0.993 242 R HN 0.629 nan 8.270 nan 0.000 0.459 243 L N 1.727 122.964 121.223 0.023 0.000 2.372 243 L HA 0.279 4.619 4.340 -0.000 0.000 0.274 243 L C -0.148 176.772 176.870 0.084 0.000 0.988 243 L CA -0.603 54.265 54.840 0.046 0.000 0.833 243 L CB 2.040 44.086 42.059 -0.022 0.000 1.236 243 L HN 0.479 nan 8.230 nan 0.000 0.410 244 S N 1.876 117.653 115.700 0.128 0.000 2.488 244 S HA 0.356 4.825 4.470 -0.000 0.000 0.278 244 S C 1.131 175.812 174.600 0.134 0.000 1.259 244 S CA 0.437 58.704 58.200 0.112 0.000 1.061 244 S CB 0.968 64.238 63.200 0.117 0.000 0.910 244 S HN 1.060 nan 8.310 nan 0.000 0.491 245 G N 1.911 110.708 108.800 -0.004 0.000 2.179 245 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.260 245 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.260 245 G C 0.269 174.786 174.900 -0.638 0.000 0.977 245 G CA -0.141 44.888 45.100 -0.118 0.000 0.641 245 G HN 1.187 nan 8.290 nan 0.000 0.533 246 A N 0.168 122.527 122.820 -0.769 0.000 2.466 246 A HA 0.673 4.993 4.320 -0.000 0.000 0.238 246 A C 1.323 178.529 177.584 -0.630 0.000 1.074 246 A CA 1.129 52.460 52.037 -1.177 0.000 0.774 246 A CB 0.252 18.971 19.000 -0.470 0.000 1.015 246 A HN 1.755 nan 8.150 nan 0.000 0.498 247 G N -1.196 107.288 108.800 -0.527 0.000 2.563 247 G HA2 0.492 4.452 3.960 -0.000 0.000 0.283 247 G HA3 0.492 4.452 3.960 -0.000 0.000 0.283 247 G C 1.004 175.826 174.900 -0.131 0.000 1.309 247 G CA 0.183 45.130 45.100 -0.255 0.000 1.022 247 G HN 1.301 nan 8.290 nan 0.000 0.501 248 A N -1.105 121.680 122.820 -0.059 0.000 1.930 248 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 248 A C 1.118 178.726 177.584 0.040 0.000 1.176 248 A CA 0.830 52.883 52.037 0.027 0.000 0.632 248 A CB -0.055 19.009 19.000 0.108 0.000 0.819 248 A HN 0.575 nan 8.150 nan 0.000 0.445 249 E N 0.113 120.319 120.200 0.011 0.000 2.101 249 E HA 0.463 4.813 4.350 -0.000 0.000 0.260 249 E C -0.270 176.318 176.600 -0.019 0.000 0.897 249 E CA -0.473 55.925 56.400 -0.003 0.000 0.744 249 E CB 1.243 30.923 29.700 -0.033 0.000 1.140 249 E HN 0.411 nan 8.360 nan 0.000 0.419 250 G N 1.503 110.300 108.800 -0.005 0.000 2.434 250 G HA2 0.518 4.478 3.960 -0.000 0.000 0.330 250 G HA3 0.518 4.478 3.960 -0.000 0.000 0.330 250 G C -0.236 174.692 174.900 0.047 0.000 1.155 250 G CA -0.385 44.726 45.100 0.019 0.000 0.917 250 G HN 0.344 nan 8.290 nan 0.000 0.493 251 T N -1.967 112.643 114.554 0.094 0.000 2.908 251 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 251 T C -0.911 173.891 174.700 0.169 0.000 1.034 251 T CA -0.707 61.474 62.100 0.136 0.000 1.010 251 T CB 1.931 70.916 68.868 0.194 0.000 1.068 251 T HN 0.556 nan 8.240 nan 0.000 0.481 252 I N 1.545 122.232 120.570 0.194 0.000 2.686 252 I HA 0.817 4.987 4.170 -0.000 0.000 0.295 252 I C -1.398 174.881 176.117 0.270 0.000 1.114 252 I CA -0.789 60.650 61.300 0.231 0.000 1.038 252 I CB 1.990 40.093 38.000 0.172 0.000 1.238 252 I HN 0.767 nan 8.210 nan 0.000 0.420 253 V N 6.447 126.559 119.914 0.330 0.000 3.087 253 V HA 0.473 4.593 4.120 -0.000 0.000 0.306 253 V C -1.168 175.058 176.094 0.220 0.000 1.187 253 V CA -0.493 61.960 62.300 0.255 0.000 0.999 253 V CB 2.272 34.241 31.823 0.244 0.000 1.049 253 V HN 0.815 nan 8.190 nan 0.000 0.431 254 Q N 2.414 122.300 119.800 0.144 0.000 2.331 254 Q HA 0.496 4.836 4.340 -0.000 0.000 0.257 254 Q C -0.021 176.010 176.000 0.051 0.000 0.957 254 Q CA -0.436 55.428 55.803 0.101 0.000 0.923 254 Q CB 1.309 30.097 28.738 0.083 0.000 1.212 254 Q HN 0.958 nan 8.270 nan 0.000 0.443 255 T N 1.480 116.046 114.554 0.020 0.000 2.788 255 T HA 0.221 4.571 4.350 -0.000 0.000 0.287 255 T C -1.915 172.773 174.700 -0.021 0.000 1.007 255 T CA -1.467 60.605 62.100 -0.046 0.000 1.005 255 T CB 0.508 69.323 68.868 -0.088 0.000 1.012 255 T HN 0.438 nan 8.240 nan 0.000 0.530 256 P HA -0.088 nan 4.420 nan 0.000 0.219 256 P C 1.065 178.362 177.300 -0.005 0.000 1.146 256 P CA 1.077 64.171 63.100 -0.009 0.000 0.808 256 P CB -0.170 31.523 31.700 -0.010 0.000 0.779 257 D N -1.651 118.741 120.400 -0.014 0.000 2.378 257 D HA -0.016 4.624 4.640 -0.000 0.000 0.222 257 D C 1.502 177.798 176.300 -0.007 0.000 0.980 257 D CA 1.111 55.105 54.000 -0.011 0.000 0.907 257 D CB -1.104 39.685 40.800 -0.018 0.000 0.899 257 D HN 0.247 nan 8.370 nan 0.000 0.527 258 G N -0.372 108.427 108.800 -0.001 0.000 2.175 258 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 258 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 258 G C 0.322 175.221 174.900 -0.000 0.000 0.982 258 G CA 0.224 45.327 45.100 0.005 0.000 0.641 258 G HN 0.498 nan 8.290 nan 0.000 0.527 259 K N -0.207 120.186 120.400 -0.012 0.000 2.117 259 K HA 0.697 5.017 4.320 -0.000 0.000 0.240 259 K C 0.742 177.341 176.600 -0.002 0.000 1.031 259 K CA -0.543 55.722 56.287 -0.037 0.000 0.909 259 K CB 0.711 33.171 32.500 -0.067 0.000 1.097 259 K HN 0.184 nan 8.250 nan 0.000 0.492 260 L N 1.058 122.250 121.223 -0.051 0.000 2.375 260 L HA 0.395 4.735 4.340 -0.000 0.000 0.268 260 L C -0.773 176.192 176.870 0.158 0.000 1.058 260 L CA -0.831 54.052 54.840 0.071 0.000 0.803 260 L CB 0.539 42.660 42.059 0.104 0.000 1.212 260 L HN 0.573 nan 8.230 nan 0.000 0.451 261 Y N 1.866 122.270 120.300 0.174 0.000 2.330 261 Y HA 0.402 4.952 4.550 -0.000 0.000 0.324 261 Y C -0.949 175.099 175.900 0.246 0.000 1.093 261 Y CA -0.915 57.292 58.100 0.178 0.000 1.103 261 Y CB 0.928 39.455 38.460 0.112 0.000 1.183 261 Y HN 0.416 nan 8.280 nan 0.000 0.433 262 R N 4.693 125.209 120.500 0.027 0.000 2.265 262 R HA 0.301 4.641 4.340 -0.000 0.000 0.319 262 R C -1.028 175.125 176.300 -0.244 0.000 1.006 262 R CA -0.440 55.648 56.100 -0.020 0.000 0.880 262 R CB 1.126 31.453 30.300 0.046 0.000 1.077 262 R HN 0.755 nan 8.270 nan 0.000 0.454 263 N N 2.860 121.506 118.700 -0.090 0.000 2.573 263 N HA 0.155 4.895 4.740 -0.000 0.000 0.262 263 N C -1.497 174.077 175.510 0.107 0.000 1.029 263 N CA -0.312 52.699 53.050 -0.066 0.000 0.882 263 N CB 0.924 39.411 38.487 -0.001 0.000 1.204 263 N HN 0.323 nan 8.380 nan 0.000 0.519 264 D N 0.928 121.401 120.400 0.121 0.000 2.252 264 D HA 0.240 4.880 4.640 -0.000 0.000 0.245 264 D C 0.252 176.579 176.300 0.045 0.000 1.009 264 D CA -0.393 53.651 54.000 0.073 0.000 0.870 264 D CB 1.868 42.673 40.800 0.008 0.000 1.251 264 D HN 0.361 nan 8.370 nan 0.000 0.460 265 R N 2.316 122.820 120.500 0.007 0.000 2.484 265 R HA 0.130 4.470 4.340 -0.000 0.000 0.293 265 R C -2.185 174.103 176.300 -0.021 0.000 1.023 265 R CA -0.836 55.258 56.100 -0.011 0.000 1.037 265 R CB 0.267 30.536 30.300 -0.052 0.000 0.951 265 R HN 0.230 nan 8.270 nan 0.000 0.418 266 P HA 0.008 nan 4.420 nan 0.000 0.274 266 P C -0.019 177.263 177.300 -0.029 0.000 1.237 266 P CA -0.287 62.806 63.100 -0.011 0.000 0.793 266 P CB 1.399 33.109 31.700 0.018 0.000 0.977 267 S N 0.231 115.907 115.700 -0.040 0.000 2.428 267 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 267 S C 0.744 175.321 174.600 -0.038 0.000 1.014 267 S CA 0.578 58.749 58.200 -0.048 0.000 0.957 267 S CB -0.313 62.852 63.200 -0.060 0.000 0.784 267 S HN 0.464 nan 8.310 nan 0.000 0.499 268 Q N 0.950 120.735 119.800 -0.025 0.000 2.387 268 Q HA 0.449 4.789 4.340 -0.000 0.000 0.273 268 Q C -1.005 174.981 176.000 -0.023 0.000 1.089 268 Q CA -0.658 55.131 55.803 -0.023 0.000 0.824 268 Q CB 1.558 30.287 28.738 -0.015 0.000 1.367 268 Q HN 0.308 nan 8.270 nan 0.000 0.443 269 K N 0.352 120.731 120.400 -0.035 0.000 2.524 269 K HA 0.216 4.536 4.320 -0.000 0.000 0.279 269 K C 0.566 177.112 176.600 -0.090 0.000 0.993 269 K CA 1.070 57.320 56.287 -0.061 0.000 1.030 269 K CB 0.200 32.663 32.500 -0.062 0.000 0.891 269 K HN 0.930 nan 8.250 nan 0.000 0.488 270 G N 2.100 110.794 108.800 -0.177 0.000 3.815 270 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.112 270 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.112 270 G C -1.363 173.094 174.900 -0.738 0.000 2.124 270 G CA -0.503 44.362 45.100 -0.392 0.000 0.991 270 G HN 0.503 nan 8.290 nan 0.000 0.287 271 Y N 0.974 121.279 120.300 0.010 0.000 2.571 271 Y HA 0.754 5.304 4.550 -0.000 0.000 0.341 271 Y C 0.054 175.961 175.900 0.012 0.000 1.076 271 Y CA -1.277 56.829 58.100 0.010 0.000 1.029 271 Y CB 1.179 39.644 38.460 0.008 0.000 1.308 271 Y HN 0.180 nan 8.280 nan 0.000 0.461 272 R N 1.832 122.431 120.500 0.165 0.000 2.698 272 R HA 0.220 4.560 4.340 -0.000 0.000 0.266 272 R C -0.636 175.724 176.300 0.099 0.000 1.026 272 R CA 0.057 56.214 56.100 0.096 0.000 1.102 272 R CB 0.173 30.480 30.300 0.012 0.000 0.978 272 R HN 0.582 nan 8.270 nan 0.000 0.436 273 M N 2.521 122.182 119.600 0.102 0.000 2.129 273 M HA 0.299 4.779 4.480 -0.000 0.000 0.348 273 M C -0.524 175.907 176.300 0.217 0.000 1.116 273 M CA -0.836 54.564 55.300 0.168 0.000 1.022 273 M CB 1.504 34.202 32.600 0.164 0.000 1.599 273 M HN 0.129 nan 8.290 nan 0.000 0.449 274 V N 2.685 122.656 119.914 0.095 0.000 2.555 274 V HA 0.915 5.035 4.120 -0.000 0.000 0.302 274 V C -0.209 175.662 176.094 -0.373 0.000 1.038 274 V CA -0.741 61.461 62.300 -0.164 0.000 0.887 274 V CB 1.832 33.531 31.823 -0.208 0.000 0.991 274 V HN 0.973 nan 8.190 nan 0.000 0.434 275 A N 5.231 127.626 122.820 -0.708 0.000 2.498 275 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 275 A C -0.697 176.748 177.584 -0.231 0.000 1.075 275 A CA -0.856 50.770 52.037 -0.687 0.000 0.714 275 A CB 1.854 19.944 19.000 -1.517 0.000 1.299 275 A HN 0.796 nan 8.150 nan 0.000 0.407 276 R N -0.250 120.175 120.500 -0.125 0.000 2.854 276 R HA 0.808 5.148 4.340 -0.000 0.000 0.271 276 R C 0.130 176.120 176.300 -0.516 0.000 0.994 276 R CA -0.158 55.841 56.100 -0.168 0.000 0.945 276 R CB 2.479 32.733 30.300 -0.076 0.000 1.194 276 R HN 1.298 nan 8.270 nan 0.000 0.476 277 G N -0.250 108.031 108.800 -0.865 0.000 2.364 277 G HA2 0.359 4.319 3.960 -0.000 0.000 0.286 277 G HA3 0.359 4.319 3.960 -0.000 0.000 0.286 277 G C -1.137 173.317 174.900 -0.743 0.000 1.241 277 G CA -0.090 44.391 45.100 -1.031 0.000 0.887 277 G HN 0.663 nan 8.290 nan 0.000 0.484 278 T N -2.459 111.769 114.554 -0.542 0.000 2.696 278 T HA 0.551 4.901 4.350 -0.000 0.000 0.291 278 T C 1.087 175.752 174.700 -0.058 0.000 1.095 278 T CA -0.473 61.496 62.100 -0.218 0.000 1.026 278 T CB 1.093 69.891 68.868 -0.118 0.000 1.390 278 T HN 0.528 nan 8.240 nan 0.000 0.513 279 L N 0.515 121.752 121.223 0.024 0.000 2.456 279 L HA 0.042 4.382 4.340 -0.000 0.000 0.224 279 L C 1.897 178.812 176.870 0.076 0.000 1.148 279 L CA 0.939 55.830 54.840 0.084 0.000 0.825 279 L CB -0.388 41.710 42.059 0.066 0.000 0.937 279 L HN 0.635 nan 8.230 nan 0.000 0.450 280 E N 0.140 120.363 120.200 0.039 0.000 2.474 280 E HA 0.287 4.637 4.350 -0.000 0.000 0.195 280 E C 0.863 177.497 176.600 0.057 0.000 1.039 280 E CA 0.419 56.842 56.400 0.039 0.000 0.881 280 E CB 0.799 30.507 29.700 0.013 0.000 0.970 280 E HN 0.353 nan 8.360 nan 0.000 0.486 281 G N 0.357 109.208 108.800 0.084 0.000 2.337 281 G HA2 0.223 4.183 3.960 -0.000 0.000 0.310 281 G HA3 0.223 4.183 3.960 -0.000 0.000 0.310 281 G C -1.598 173.364 174.900 0.103 0.000 1.534 281 G CA -1.086 44.101 45.100 0.145 0.000 0.982 281 G HN -0.039 nan 8.290 nan 0.000 0.672 282 F N 0.544 120.499 119.950 0.008 0.000 2.538 282 F HA 0.745 5.272 4.527 0.000 0.000 0.325 282 F C 1.205 176.986 175.800 -0.031 0.000 1.066 282 F CA 0.445 58.430 58.000 -0.026 0.000 0.946 282 F CB 2.175 41.154 39.000 -0.035 0.000 1.199 282 F HN 0.776 nan 8.300 nan 0.000 0.473 283 G N 0.461 109.298 108.800 0.061 0.000 2.588 283 G HA2 0.490 4.450 3.960 -0.000 0.000 0.278 283 G HA3 0.490 4.450 3.960 -0.000 0.000 0.278 283 G C -0.666 174.258 174.900 0.041 0.000 1.307 283 G CA -0.330 44.788 45.100 0.029 0.000 1.016 283 G HN 0.867 nan 8.290 nan 0.000 0.503 284 A N -1.100 121.741 122.820 0.035 0.000 2.366 284 A HA 0.575 4.895 4.320 -0.000 0.000 0.249 284 A C -0.591 177.001 177.584 0.012 0.000 1.084 284 A CA -0.302 51.785 52.037 0.083 0.000 0.794 284 A CB 0.100 19.151 19.000 0.085 0.000 1.034 284 A HN 0.390 nan 8.150 nan 0.000 0.491 285 F N 0.375 120.344 119.950 0.030 0.000 2.412 285 F HA 0.500 5.027 4.527 -0.000 0.000 0.348 285 F C 0.838 176.640 175.800 0.002 0.000 1.102 285 F CA 0.927 58.932 58.000 0.009 0.000 1.196 285 F CB 1.329 40.324 39.000 -0.007 0.000 1.144 285 F HN 0.699 nan 8.300 nan 0.000 0.541 286 A N 4.539 127.440 122.820 0.136 0.000 2.515 286 A HA 0.761 5.081 4.320 -0.000 0.000 0.298 286 A C -2.857 174.765 177.584 0.064 0.000 1.059 286 A CA -1.886 50.197 52.037 0.078 0.000 0.698 286 A CB 1.408 20.423 19.000 0.025 0.000 1.289 286 A HN 0.388 nan 8.150 nan 0.000 0.404 287 P HA 0.122 nan 4.420 nan 0.000 0.268 287 P C -1.058 176.219 177.300 -0.038 0.000 1.204 287 P CA 0.281 63.400 63.100 0.030 0.000 0.768 287 P CB 0.606 32.312 31.700 0.010 0.000 0.842 288 D N 2.571 122.967 120.400 -0.006 0.000 2.428 288 D HA 0.248 4.888 4.640 -0.000 0.000 0.221 288 D C 1.256 177.507 176.300 -0.082 0.000 1.123 288 D CA -0.524 53.459 54.000 -0.028 0.000 0.869 288 D CB 0.716 41.519 40.800 0.005 0.000 1.032 288 D HN 0.257 nan 8.370 nan 0.000 0.506 289 A N 3.075 125.751 122.820 -0.239 0.000 2.084 289 A HA -0.079 4.241 4.320 -0.000 0.000 0.221 289 A C 1.948 179.506 177.584 -0.044 0.000 1.161 289 A CA 1.644 53.440 52.037 -0.401 0.000 0.653 289 A CB -0.360 18.454 19.000 -0.309 0.000 0.802 289 A HN 0.592 nan 8.150 nan 0.000 0.457 290 G N -1.286 107.532 108.800 0.030 0.000 2.712 290 G HA2 0.296 4.256 3.960 -0.000 0.000 0.212 290 G HA3 0.296 4.256 3.960 -0.000 0.000 0.212 290 G C 0.525 175.492 174.900 0.111 0.000 1.142 290 G CA 0.186 45.340 45.100 0.091 0.000 0.789 290 G HN 0.404 nan 8.290 nan 0.000 0.535 291 L N 2.353 123.651 121.223 0.126 0.000 2.445 291 L HA 0.310 4.650 4.340 -0.000 0.000 0.252 291 L C -2.380 174.603 176.870 0.188 0.000 1.105 291 L CA -1.962 52.926 54.840 0.081 0.000 0.943 291 L CB 1.857 43.833 42.059 -0.139 0.000 1.277 291 L HN -0.116 nan 8.230 nan 0.000 0.465 292 P HA 0.034 nan 4.420 nan 0.000 0.269 292 P C -0.971 176.298 177.300 -0.052 0.000 1.209 292 P CA 0.205 63.265 63.100 -0.066 0.000 0.776 292 P CB 1.425 33.065 31.700 -0.100 0.000 0.876 293 D N 2.328 122.650 120.400 -0.131 0.000 2.837 293 D HA 0.180 4.820 4.640 -0.000 0.000 0.220 293 D C -2.530 173.714 176.300 -0.093 0.000 1.236 293 D CA -1.907 52.062 54.000 -0.053 0.000 0.838 293 D CB 2.949 43.760 40.800 0.019 0.000 1.647 293 D HN 0.109 nan 8.370 nan 0.000 0.486 294 P HA 0.261 nan 4.420 nan 0.000 0.254 294 P C -0.293 176.986 177.300 -0.035 0.000 1.620 294 P CA 0.199 63.264 63.100 -0.059 0.000 1.050 294 P CB 0.036 31.709 31.700 -0.044 0.000 1.539 295 A N -1.440 121.361 122.820 -0.031 0.000 2.429 295 A HA -0.127 4.193 4.320 -0.000 0.000 0.290 295 A C -0.017 177.566 177.584 -0.002 0.000 1.439 295 A CA 0.404 52.430 52.037 -0.018 0.000 0.731 295 A CB -2.473 16.515 19.000 -0.020 0.000 1.138 295 A HN 0.516 nan 8.150 nan 0.000 0.384 296 C N 2.058 121.346 119.300 -0.020 0.000 2.994 296 C HA 0.682 5.142 4.460 -0.000 0.000 0.305 296 C C 0.362 175.252 174.990 -0.166 0.000 1.251 296 C CA -0.254 58.744 59.018 -0.033 0.000 1.478 296 C CB 1.766 29.519 27.740 0.022 0.000 1.922 296 C HN 1.139 nan 8.230 nan 0.000 0.472 297 Q N 1.727 121.245 119.800 -0.470 0.000 2.432 297 Q HA 0.452 4.792 4.340 -0.000 0.000 0.264 297 Q C 0.081 175.909 176.000 -0.288 0.000 1.035 297 Q CA 0.968 56.436 55.803 -0.558 0.000 0.908 297 Q CB 1.124 29.089 28.738 -1.288 0.000 1.280 297 Q HN 1.038 nan 8.270 nan 0.000 0.455 298 G N 0.805 109.497 108.800 -0.181 0.000 2.798 298 G HA2 0.620 4.580 3.960 -0.000 0.000 0.286 298 G HA3 0.620 4.580 3.960 -0.000 0.000 0.286 298 G C -1.481 173.327 174.900 -0.152 0.000 1.389 298 G CA -0.166 44.822 45.100 -0.187 0.000 0.894 298 G HN 0.736 nan 8.290 nan 0.000 0.488 299 S N -2.092 113.444 115.700 -0.272 0.000 2.546 299 S HA 0.786 5.256 4.470 -0.000 0.000 0.274 299 S C -1.451 173.106 174.600 -0.072 0.000 1.121 299 S CA -0.816 57.323 58.200 -0.102 0.000 0.887 299 S CB 1.919 65.088 63.200 -0.051 0.000 1.094 299 S HN 1.505 nan 8.310 nan 0.000 0.474 300 V N 2.121 122.117 119.914 0.137 0.000 2.971 300 V HA 0.891 5.011 4.120 -0.000 0.000 0.309 300 V C -2.027 174.199 176.094 0.221 0.000 1.130 300 V CA -0.803 61.661 62.300 0.273 0.000 0.964 300 V CB 1.963 34.061 31.823 0.458 0.000 1.029 300 V HN 1.113 nan 8.190 nan 0.000 0.427 301 L N 5.208 126.571 121.223 0.232 0.000 2.493 301 L HA 0.632 4.972 4.340 -0.000 0.000 0.265 301 L C -0.473 176.518 176.870 0.201 0.000 0.954 301 L CA -0.396 54.565 54.840 0.202 0.000 0.844 301 L CB 1.901 44.080 42.059 0.200 0.000 1.302 301 L HN 0.794 nan 8.230 nan 0.000 0.405 302 R N 3.145 123.741 120.500 0.160 0.000 2.291 302 R HA 0.098 4.438 4.340 -0.000 0.000 0.333 302 R C -0.259 176.125 176.300 0.141 0.000 1.082 302 R CA 0.145 56.325 56.100 0.132 0.000 0.948 302 R CB 0.285 30.642 30.300 0.095 0.000 1.009 302 R HN 0.813 nan 8.270 nan 0.000 0.460 303 Y N 4.882 125.221 120.300 0.066 0.000 2.201 303 Y HA 0.032 4.582 4.550 -0.000 0.000 0.292 303 Y C 0.137 176.083 175.900 0.077 0.000 1.119 303 Y CA 1.331 59.474 58.100 0.072 0.000 1.127 303 Y CB 0.459 38.965 38.460 0.077 0.000 1.019 303 Y HN 0.710 nan 8.280 nan 0.000 0.514 304 N N -1.543 117.243 118.700 0.143 0.000 2.823 304 N HA 0.115 4.855 4.740 -0.000 0.000 0.251 304 N C -0.514 175.054 175.510 0.096 0.000 1.392 304 N CA 0.232 53.332 53.050 0.083 0.000 0.864 304 N CB 1.216 39.806 38.487 0.171 0.000 1.481 304 N HN 0.103 nan 8.380 nan 0.000 0.508 305 S N -1.790 113.953 115.700 0.070 0.000 2.524 305 S HA 0.040 4.510 4.470 -0.000 0.000 0.222 305 S C 0.109 174.746 174.600 0.062 0.000 1.040 305 S CA -0.143 58.093 58.200 0.059 0.000 0.915 305 S CB -0.356 62.870 63.200 0.043 0.000 0.831 305 S HN 0.730 nan 8.310 nan 0.000 0.492 306 D N 2.746 123.188 120.400 0.069 0.000 2.399 306 D HA 0.364 5.004 4.640 -0.000 0.000 0.241 306 D C 0.198 176.545 176.300 0.078 0.000 1.133 306 D CA -0.191 53.848 54.000 0.064 0.000 0.890 306 D CB 0.947 41.783 40.800 0.060 0.000 1.201 306 D HN 0.304 nan 8.370 nan 0.000 0.432 307 A N 2.817 125.675 122.820 0.064 0.000 2.524 307 A HA 0.349 4.669 4.320 -0.000 0.000 0.250 307 A C -1.905 175.729 177.584 0.084 0.000 1.078 307 A CA -0.838 51.240 52.037 0.069 0.000 0.761 307 A CB -0.562 18.465 19.000 0.045 0.000 1.012 307 A HN 0.565 nan 8.150 nan 0.000 0.500 308 P HA 0.486 nan 4.420 nan 0.000 0.296 308 P C -0.300 177.111 177.300 0.185 0.000 1.306 308 P CA -0.250 62.941 63.100 0.151 0.000 0.818 308 P CB 1.388 33.202 31.700 0.189 0.000 0.969 309 A N 4.959 127.863 122.820 0.140 0.000 2.498 309 A HA 0.302 4.622 4.320 -0.000 0.000 0.239 309 A C 0.257 177.892 177.584 0.085 0.000 1.068 309 A CA -0.002 52.100 52.037 0.108 0.000 0.766 309 A CB -0.113 18.925 19.000 0.064 0.000 1.003 309 A HN 0.559 nan 8.150 nan 0.000 0.497 310 R N 1.069 121.609 120.500 0.066 0.000 2.628 310 R HA 0.543 4.883 4.340 -0.000 0.000 0.288 310 R C -1.216 175.093 176.300 0.014 0.000 0.980 310 R CA -0.501 55.568 56.100 -0.052 0.000 0.891 310 R CB 2.339 32.606 30.300 -0.054 0.000 1.188 310 R HN 0.669 nan 8.270 nan 0.000 0.450 311 T N 3.655 118.167 114.554 -0.070 0.000 2.797 311 T HA 0.469 4.819 4.350 -0.000 0.000 0.279 311 T C 0.013 174.837 174.700 0.207 0.000 0.991 311 T CA -0.646 61.487 62.100 0.055 0.000 0.979 311 T CB 0.965 69.811 68.868 -0.037 0.000 0.943 311 T HN 0.222 nan 8.240 nan 0.000 0.444 312 I N 3.102 123.846 120.570 0.291 0.000 2.437 312 I HA 0.552 4.722 4.170 -0.000 0.000 0.298 312 I C -0.484 175.865 176.117 0.388 0.000 0.984 312 I CA -1.151 60.344 61.300 0.326 0.000 1.214 312 I CB 1.144 39.280 38.000 0.226 0.000 1.365 312 I HN 0.589 nan 8.210 nan 0.000 0.469 313 F N 6.882 126.890 119.950 0.097 0.000 2.565 313 F HA 0.704 5.231 4.527 -0.000 0.000 0.313 313 F C -1.593 174.155 175.800 -0.087 0.000 1.091 313 F CA -0.983 56.933 58.000 -0.140 0.000 0.915 313 F CB 1.802 40.360 39.000 -0.736 0.000 1.208 313 F HN 0.272 nan 8.300 nan 0.000 0.453 314 L N 7.249 127.877 121.223 -0.991 0.000 2.438 314 L HA 0.571 4.911 4.340 -0.000 0.000 0.270 314 L C -1.522 174.812 176.870 -0.893 0.000 0.972 314 L CA -0.194 54.256 54.840 -0.650 0.000 0.831 314 L CB 1.444 43.353 42.059 -0.251 0.000 1.273 314 L HN 0.845 nan 8.230 nan 0.000 0.405 315 N N 1.671 120.054 118.700 -0.529 0.000 3.308 315 N HA 0.294 5.033 4.740 -0.000 0.000 0.276 315 N C -1.677 173.760 175.510 -0.122 0.000 1.533 315 N CA -0.602 52.273 53.050 -0.291 0.000 0.878 315 N CB 1.344 39.720 38.487 -0.186 0.000 1.566 315 N HN 0.346 nan 8.380 nan 0.000 0.546 316 S N -0.710 114.952 115.700 -0.063 0.000 2.416 316 S HA 0.571 5.041 4.470 -0.000 0.000 0.287 316 S C -0.055 174.526 174.600 -0.031 0.000 1.139 316 S CA -0.386 57.788 58.200 -0.044 0.000 1.058 316 S CB -0.793 62.389 63.200 -0.031 0.000 0.967 316 S HN 0.751 nan 8.310 nan 0.000 0.495 317 A N 4.668 127.463 122.820 -0.041 0.000 3.063 317 A HA 0.529 4.849 4.320 -0.000 0.000 0.263 317 A C 0.397 177.954 177.584 -0.044 0.000 1.736 317 A CA -0.301 51.715 52.037 -0.036 0.000 1.408 317 A CB -0.601 18.354 19.000 -0.076 0.000 1.108 317 A HN 0.704 nan 8.150 nan 0.000 0.621 318 S N -0.221 115.447 115.700 -0.053 0.000 2.535 318 S HA 0.518 4.988 4.470 -0.000 0.000 0.272 318 S C 0.896 175.431 174.600 -0.108 0.000 1.149 318 S CA 0.185 58.344 58.200 -0.068 0.000 0.888 318 S CB 1.051 64.218 63.200 -0.056 0.000 1.110 318 S HN 0.855 nan 8.310 nan 0.000 0.463 319 G N 1.275 109.990 108.800 -0.142 0.000 2.650 319 G HA2 0.108 4.068 3.960 -0.000 0.000 0.214 319 G HA3 0.108 4.068 3.960 -0.000 0.000 0.214 319 G C 1.004 175.833 174.900 -0.118 0.000 1.136 319 G CA 1.247 46.233 45.100 -0.191 0.000 0.789 319 G HN 1.031 nan 8.290 nan 0.000 0.536 320 T N -4.466 110.038 114.554 -0.083 0.000 3.048 320 T HA 0.336 4.685 4.350 -0.000 0.000 0.254 320 T C 0.893 175.562 174.700 -0.051 0.000 0.942 320 T CA 0.534 62.598 62.100 -0.060 0.000 0.931 320 T CB 0.577 69.415 68.868 -0.050 0.000 1.220 320 T HN 0.107 nan 8.240 nan 0.000 0.503 321 S N 0.216 115.883 115.700 -0.055 0.000 2.501 321 S HA 0.530 5.000 4.470 -0.000 0.000 0.301 321 S C 0.492 175.062 174.600 -0.050 0.000 1.096 321 S CA -0.842 57.323 58.200 -0.059 0.000 1.063 321 S CB 1.475 64.634 63.200 -0.068 0.000 1.042 321 S HN 0.340 nan 8.310 nan 0.000 0.494 322 R N 1.899 122.370 120.500 -0.048 0.000 2.310 322 R HA 0.207 4.547 4.340 -0.000 0.000 0.202 322 R C 0.769 177.045 176.300 -0.039 0.000 0.933 322 R CA 0.297 56.381 56.100 -0.027 0.000 1.054 322 R CB 0.119 30.421 30.300 0.003 0.000 0.985 322 R HN 0.485 nan 8.270 nan 0.000 0.489 323 R N 0.427 120.889 120.500 -0.063 0.000 2.721 323 R HA 0.227 4.567 4.340 -0.000 0.000 0.296 323 R C 0.071 176.343 176.300 -0.047 0.000 1.174 323 R CA -0.072 55.991 56.100 -0.062 0.000 1.129 323 R CB 1.040 31.280 30.300 -0.099 0.000 1.316 323 R HN 0.002 nan 8.270 nan 0.000 0.571 324 A N 0.828 123.621 122.820 -0.044 0.000 2.812 324 A HA 0.274 4.594 4.320 -0.000 0.000 0.294 324 A C 0.062 177.616 177.584 -0.051 0.000 1.014 324 A CA -0.568 51.443 52.037 -0.043 0.000 1.024 324 A CB 0.277 19.250 19.000 -0.045 0.000 1.162 324 A HN 0.102 nan 8.150 nan 0.000 0.511 325 M N 0.645 120.218 119.600 -0.044 0.000 2.284 325 M HA 0.183 4.663 4.480 -0.000 0.000 0.351 325 M C 0.304 176.565 176.300 -0.065 0.000 1.443 325 M CA 0.807 56.077 55.300 -0.051 0.000 1.031 325 M CB -0.445 32.135 32.600 -0.034 0.000 1.893 325 M HN 0.496 nan 8.290 nan 0.000 0.456 326 R N 2.060 122.507 120.500 -0.088 0.000 2.515 326 R HA 0.600 4.940 4.340 -0.000 0.000 0.291 326 R C -1.847 174.399 176.300 -0.090 0.000 1.046 326 R CA -0.503 55.530 56.100 -0.112 0.000 0.914 326 R CB 1.655 31.850 30.300 -0.175 0.000 1.191 326 R HN 0.565 nan 8.270 nan 0.000 0.435 327 V N 5.209 125.090 119.914 -0.054 0.000 2.481 327 V HA 0.664 4.784 4.120 -0.000 0.000 0.286 327 V C -0.623 175.494 176.094 0.038 0.000 1.042 327 V CA -0.212 62.096 62.300 0.014 0.000 0.928 327 V CB 1.154 33.037 31.823 0.099 0.000 0.986 327 V HN 0.828 nan 8.190 nan 0.000 0.462 328 R N 5.208 125.776 120.500 0.114 0.000 2.808 328 R HA 0.674 5.014 4.340 -0.000 0.000 0.272 328 R C -1.526 174.967 176.300 0.321 0.000 0.995 328 R CA -0.826 55.392 56.100 0.197 0.000 0.917 328 R CB 2.359 32.795 30.300 0.227 0.000 1.217 328 R HN 0.608 nan 8.270 nan 0.000 0.471 329 I N 0.222 120.954 120.570 0.270 0.000 2.474 329 I HA 0.328 4.498 4.170 -0.000 0.000 0.294 329 I C -0.307 175.729 176.117 -0.136 0.000 1.005 329 I CA -0.575 60.757 61.300 0.053 0.000 1.113 329 I CB 2.215 40.078 38.000 -0.229 0.000 1.289 329 I HN 0.395 nan 8.210 nan 0.000 0.436 330 S N 3.821 119.204 115.700 -0.528 0.000 2.473 330 S HA 0.470 4.940 4.470 -0.000 0.000 0.307 330 S C -0.182 174.047 174.600 -0.618 0.000 1.094 330 S CA -0.366 57.344 58.200 -0.818 0.000 1.070 330 S CB 0.623 62.878 63.200 -1.575 0.000 1.019 330 S HN 0.479 nan 8.310 nan 0.000 0.480 331 Y N 1.326 121.504 120.300 -0.203 0.000 2.458 331 Y HA 0.306 4.856 4.550 -0.000 0.000 0.256 331 Y C 0.439 176.265 175.900 -0.124 0.000 1.159 331 Y CA -0.616 57.415 58.100 -0.115 0.000 1.261 331 Y CB 0.235 38.657 38.460 -0.063 0.000 1.119 331 Y HN 0.478 nan 8.280 nan 0.000 0.524 332 D N 0.209 120.560 120.400 -0.082 0.000 2.345 332 D HA 0.180 4.820 4.640 -0.000 0.000 0.247 332 D C 1.168 177.412 176.300 -0.095 0.000 1.108 332 D CA 0.266 54.217 54.000 -0.081 0.000 0.894 332 D CB 1.741 42.469 40.800 -0.120 0.000 1.203 332 D HN 0.233 nan 8.370 nan 0.000 0.430 333 A N 2.537 125.326 122.820 -0.051 0.000 2.070 333 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 333 A C 1.171 178.719 177.584 -0.061 0.000 1.159 333 A CA 1.402 53.413 52.037 -0.045 0.000 0.656 333 A CB -0.115 18.871 19.000 -0.022 0.000 0.800 333 A HN 0.588 nan 8.150 nan 0.000 0.453 334 D N -2.352 118.007 120.400 -0.068 0.000 2.440 334 D HA 0.403 5.043 4.640 -0.000 0.000 0.216 334 D C 0.581 176.820 176.300 -0.100 0.000 1.150 334 D CA 0.372 54.341 54.000 -0.051 0.000 0.832 334 D CB -0.560 40.235 40.800 -0.008 0.000 0.992 334 D HN 0.836 nan 8.370 nan 0.000 0.502 335 A N 0.907 123.593 122.820 -0.222 0.000 2.704 335 A HA -0.347 3.973 4.320 -0.000 0.000 0.299 335 A C 1.532 179.006 177.584 -0.183 0.000 1.507 335 A CA 1.402 53.205 52.037 -0.390 0.000 0.776 335 A CB -2.492 16.118 19.000 -0.649 0.000 1.027 335 A HN 0.419 nan 8.150 nan 0.000 0.475 336 K N -0.634 119.709 120.400 -0.095 0.000 2.026 336 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 336 K C 0.382 176.992 176.600 0.016 0.000 1.048 336 K CA 1.467 57.756 56.287 0.004 0.000 0.929 336 K CB -0.122 32.377 32.500 -0.003 0.000 0.713 336 K HN 0.537 nan 8.250 nan 0.000 0.439 337 K N 0.391 120.747 120.400 -0.073 0.000 2.324 337 K HA 0.259 4.579 4.320 -0.000 0.000 0.253 337 K C -1.007 175.516 176.600 -0.129 0.000 0.932 337 K CA -0.559 55.726 56.287 -0.004 0.000 0.799 337 K CB 1.448 33.960 32.500 0.020 0.000 1.154 337 K HN -0.083 nan 8.250 nan 0.000 0.425 338 F N 1.666 121.628 119.950 0.021 0.000 2.470 338 F HA 0.230 4.757 4.527 -0.000 0.000 0.329 338 F C 1.249 177.089 175.800 0.067 0.000 1.072 338 F CA -0.709 57.310 58.000 0.031 0.000 0.989 338 F CB 1.039 40.054 39.000 0.024 0.000 1.193 338 F HN 0.526 nan 8.300 nan 0.000 0.481 339 N N 1.018 119.875 118.700 0.261 0.000 2.263 339 N HA -0.100 4.640 4.740 -0.000 0.000 0.239 339 N C 0.734 176.381 175.510 0.228 0.000 1.317 339 N CA -0.229 52.959 53.050 0.229 0.000 0.909 339 N CB -0.169 38.453 38.487 0.225 0.000 1.171 339 N HN 0.729 nan 8.380 nan 0.000 0.492 340 Y N -0.238 120.119 120.300 0.094 0.000 2.181 340 Y HA -0.027 4.523 4.550 -0.000 0.000 0.288 340 Y C 1.570 177.498 175.900 0.048 0.000 1.146 340 Y CA 2.173 60.309 58.100 0.062 0.000 1.164 340 Y CB -0.679 37.796 38.460 0.024 0.000 0.982 340 Y HN 0.933 nan 8.280 nan 0.000 0.515 341 G N 0.486 109.390 108.800 0.172 0.000 2.512 341 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 341 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 341 G C -0.533 174.381 174.900 0.023 0.000 1.199 341 G CA 0.193 45.326 45.100 0.056 0.000 0.941 341 G HN 0.633 nan 8.290 nan 0.000 0.569 342 R N 0.110 120.540 120.500 -0.117 0.000 2.604 342 R HA 0.510 4.850 4.340 -0.000 0.000 0.281 342 R C -0.429 175.779 176.300 -0.155 0.000 1.020 342 R CA -0.818 55.157 56.100 -0.208 0.000 0.899 342 R CB 1.140 31.068 30.300 -0.620 0.000 1.205 342 R HN 0.566 nan 8.270 nan 0.000 0.450 343 K N 4.054 124.397 120.400 -0.095 0.000 2.368 343 K HA 0.115 4.435 4.320 -0.000 0.000 0.282 343 K C 0.954 177.573 176.600 0.032 0.000 1.035 343 K CA -0.106 56.156 56.287 -0.043 0.000 0.973 343 K CB 0.804 33.300 32.500 -0.007 0.000 0.957 343 K HN 0.525 nan 8.250 nan 0.000 0.474 344 L N 2.623 123.869 121.223 0.038 0.000 2.275 344 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 344 L C 2.191 179.085 176.870 0.041 0.000 1.119 344 L CA 1.262 56.140 54.840 0.063 0.000 0.790 344 L CB -0.548 41.504 42.059 -0.012 0.000 0.919 344 L HN 0.746 nan 8.230 nan 0.000 0.443 345 E N -0.377 119.835 120.200 0.020 0.000 2.409 345 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 345 E C 1.003 177.613 176.600 0.017 0.000 1.024 345 E CA 1.067 57.472 56.400 0.007 0.000 0.861 345 E CB -0.191 29.510 29.700 0.001 0.000 0.788 345 E HN 0.374 nan 8.360 nan 0.000 0.521 346 D N 1.404 121.834 120.400 0.049 0.000 2.263 346 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 346 D C 0.326 176.660 176.300 0.057 0.000 0.971 346 D CA 1.359 55.389 54.000 0.049 0.000 0.867 346 D CB 0.195 40.994 40.800 -0.002 0.000 0.929 346 D HN 0.346 nan 8.370 nan 0.000 0.492 347 A N 0.546 123.382 122.820 0.027 0.000 3.105 347 A HA 0.256 4.576 4.320 -0.000 0.000 0.336 347 A C -0.037 177.481 177.584 -0.111 0.000 1.042 347 A CA -0.594 51.319 52.037 -0.206 0.000 0.851 347 A CB 0.127 18.737 19.000 -0.650 0.000 1.068 347 A HN -0.139 nan 8.150 nan 0.000 0.477 348 K N 0.289 120.661 120.400 -0.046 0.000 2.436 348 K HA 0.320 4.640 4.320 -0.000 0.000 0.275 348 K C -0.252 176.335 176.600 -0.021 0.000 0.999 348 K CA 0.212 56.481 56.287 -0.029 0.000 0.980 348 K CB 0.942 33.433 32.500 -0.015 0.000 0.919 348 K HN 0.318 nan 8.250 nan 0.000 0.484 349 V N 2.514 122.411 119.914 -0.028 0.000 2.481 349 V HA 0.155 4.275 4.120 -0.000 0.000 0.286 349 V C -0.167 175.911 176.094 -0.027 0.000 1.042 349 V CA -0.481 61.812 62.300 -0.013 0.000 0.928 349 V CB 1.757 33.571 31.823 -0.016 0.000 0.986 349 V HN 0.739 nan 8.190 nan 0.000 0.462 350 S N 2.440 118.137 115.700 -0.005 0.000 2.509 350 S HA 0.676 5.146 4.470 -0.000 0.000 0.297 350 S C 0.906 175.507 174.600 0.001 0.000 1.118 350 S CA 0.278 58.470 58.200 -0.014 0.000 1.074 350 S CB 1.474 64.677 63.200 0.005 0.000 1.038 350 S HN 1.483 nan 8.310 nan 0.000 0.498 351 G N 1.083 109.878 108.800 -0.007 0.000 2.159 351 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.256 351 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.256 351 G C 0.336 175.299 174.900 0.106 0.000 0.977 351 G CA 0.126 45.265 45.100 0.065 0.000 0.652 351 G HN 1.189 nan 8.290 nan 0.000 0.531 352 A N -0.471 122.283 122.820 -0.109 0.000 2.610 352 A HA 0.776 5.096 4.320 -0.000 0.000 0.291 352 A C 1.738 178.786 177.584 -0.893 0.000 1.116 352 A CA 1.297 53.188 52.037 -0.244 0.000 0.963 352 A CB -0.078 18.890 19.000 -0.053 0.000 1.220 352 A HN 2.497 nan 8.150 nan 0.000 0.530 353 G N -0.188 107.907 108.800 -1.175 0.000 2.681 353 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 353 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 353 G C -0.619 173.919 174.900 -0.604 0.000 1.353 353 G CA -0.498 43.924 45.100 -1.131 0.000 0.872 353 G HN 0.634 nan 8.290 nan 0.000 0.557 354 H N 1.246 120.167 119.070 -0.249 0.000 2.782 354 H HA 0.358 4.914 4.556 -0.000 0.000 0.285 354 H C 0.798 176.044 175.328 -0.135 0.000 1.093 354 H CA 0.203 56.154 56.048 -0.161 0.000 1.410 354 H CB 0.981 30.646 29.762 -0.161 0.000 1.439 354 H HN 0.656 nan 8.280 nan 0.000 0.469 355 E N 2.344 122.529 120.200 -0.024 0.000 2.384 355 E HA 0.345 4.695 4.350 -0.000 0.000 0.266 355 E C -0.072 176.524 176.600 -0.006 0.000 1.012 355 E CA -0.223 56.163 56.400 -0.023 0.000 0.901 355 E CB 0.515 30.196 29.700 -0.032 0.000 0.967 355 E HN 0.955 nan 8.360 nan 0.000 0.435 356 G N 1.628 110.430 108.800 0.003 0.000 2.312 356 G HA2 0.439 4.399 3.960 -0.000 0.000 0.322 356 G HA3 0.439 4.399 3.960 -0.000 0.000 0.322 356 G C -0.282 174.639 174.900 0.035 0.000 1.645 356 G CA -0.287 44.817 45.100 0.007 0.000 0.919 356 G HN 0.966 nan 8.290 nan 0.000 0.699 357 G N 0.244 109.082 108.800 0.064 0.000 2.347 357 G HA2 0.479 4.439 3.960 -0.000 0.000 0.224 357 G HA3 0.479 4.439 3.960 -0.000 0.000 0.224 357 G C -0.777 174.258 174.900 0.225 0.000 1.318 357 G CA -0.268 44.922 45.100 0.149 0.000 1.016 357 G HN 1.305 nan 8.290 nan 0.000 0.469 358 Y N 1.562 121.864 120.300 0.003 0.000 2.550 358 Y HA 0.492 5.042 4.550 -0.000 0.000 0.343 358 Y C 1.352 177.253 175.900 0.000 0.000 1.245 358 Y CA -0.105 57.997 58.100 0.003 0.000 1.462 358 Y CB 0.934 39.404 38.460 0.016 0.000 1.340 358 Y HN 0.959 nan 8.280 nan 0.000 0.604 359 S N -0.178 115.597 115.700 0.125 0.000 2.607 359 S HA 0.810 5.280 4.470 -0.000 0.000 0.273 359 S C -0.888 173.755 174.600 0.071 0.000 1.148 359 S CA -0.852 57.393 58.200 0.074 0.000 0.833 359 S CB 2.250 65.454 63.200 0.007 0.000 1.130 359 S HN 0.594 nan 8.310 nan 0.000 0.470 360 S N 0.329 116.084 115.700 0.093 0.000 2.533 360 S HA 0.711 5.181 4.470 -0.000 0.000 0.271 360 S C -1.500 173.178 174.600 0.129 0.000 1.143 360 S CA -0.708 57.560 58.200 0.114 0.000 0.891 360 S CB 1.084 64.377 63.200 0.155 0.000 1.105 360 S HN 0.775 nan 8.310 nan 0.000 0.468 361 M N 2.540 122.215 119.600 0.124 0.000 2.530 361 M HA 0.524 5.004 4.480 -0.000 0.000 0.307 361 M C -0.458 175.936 176.300 0.156 0.000 1.161 361 M CA -0.542 54.832 55.300 0.123 0.000 0.903 361 M CB 2.452 35.108 32.600 0.094 0.000 1.711 361 M HN 0.683 nan 8.290 nan 0.000 0.451 362 T N 0.799 115.452 114.554 0.164 0.000 2.865 362 T HA 0.463 4.813 4.350 -0.000 0.000 0.294 362 T C -1.715 173.059 174.700 0.123 0.000 1.119 362 T CA -0.789 61.408 62.100 0.161 0.000 1.007 362 T CB 2.007 70.998 68.868 0.204 0.000 1.225 362 T HN 0.685 nan 8.240 nan 0.000 0.515 363 K N 2.096 122.541 120.400 0.074 0.000 2.213 363 K HA 0.523 4.843 4.320 -0.000 0.000 0.270 363 K C 0.303 176.890 176.600 -0.022 0.000 1.002 363 K CA -0.553 55.739 56.287 0.009 0.000 0.868 363 K CB 0.912 33.316 32.500 -0.161 0.000 1.093 363 K HN 0.804 nan 8.250 nan 0.000 0.454 364 T N 0.707 115.259 114.554 -0.002 0.000 2.816 364 T HA 0.204 4.554 4.350 -0.000 0.000 0.282 364 T C 1.402 176.013 174.700 -0.147 0.000 0.993 364 T CA -0.338 61.764 62.100 0.003 0.000 0.994 364 T CB 1.356 70.274 68.868 0.083 0.000 1.025 364 T HN 0.647 nan 8.240 nan 0.000 0.529 365 G N 0.506 109.238 108.800 -0.113 0.000 2.448 365 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 365 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 365 G C 0.907 175.713 174.900 -0.157 0.000 1.127 365 G CA 0.729 45.727 45.100 -0.171 0.000 0.766 365 G HN 0.954 nan 8.290 nan 0.000 0.552 366 D N -1.348 119.024 120.400 -0.045 0.000 2.460 366 D HA 0.047 4.687 4.640 -0.000 0.000 0.229 366 D C -0.299 176.124 176.300 0.205 0.000 1.170 366 D CA -1.227 52.832 54.000 0.098 0.000 0.827 366 D CB -0.796 40.027 40.800 0.039 0.000 0.973 366 D HN 0.378 nan 8.370 nan 0.000 0.496 367 Y N -0.235 120.079 120.300 0.022 0.000 3.234 367 Y HA -0.276 4.274 4.550 -0.000 0.000 0.207 367 Y C 0.177 176.171 175.900 0.155 0.000 1.316 367 Y CA 0.401 58.551 58.100 0.083 0.000 1.309 367 Y CB -1.644 36.865 38.460 0.082 0.000 1.408 367 Y HN 0.096 nan 8.280 nan 0.000 0.544 368 K N 0.237 120.741 120.400 0.174 0.000 2.350 368 K HA 0.669 4.989 4.320 -0.000 0.000 0.241 368 K C 0.081 176.739 176.600 0.096 0.000 0.994 368 K CA -1.139 55.221 56.287 0.120 0.000 0.839 368 K CB 1.935 34.439 32.500 0.008 0.000 1.244 368 K HN 0.139 nan 8.250 nan 0.000 0.443 369 I N 1.092 121.603 120.570 -0.099 0.000 2.416 369 I HA 0.170 4.340 4.170 -0.000 0.000 0.288 369 I C 0.771 176.536 176.117 -0.587 0.000 1.051 369 I CA 0.028 61.158 61.300 -0.283 0.000 1.375 369 I CB 1.093 38.825 38.000 -0.447 0.000 1.407 369 I HN 0.549 nan 8.210 nan 0.000 0.516 370 G N 5.119 113.724 108.800 -0.325 0.000 2.370 370 G HA2 0.702 4.662 3.960 -0.000 0.000 0.317 370 G HA3 0.702 4.662 3.960 -0.000 0.000 0.317 370 G C -0.880 173.840 174.900 -0.299 0.000 1.162 370 G CA -0.380 44.420 45.100 -0.500 0.000 0.922 370 G HN 0.751 nan 8.290 nan 0.000 0.454 371 A N 2.954 125.479 122.820 -0.492 0.000 2.355 371 A HA 0.784 5.104 4.320 -0.000 0.000 0.317 371 A C -0.480 177.141 177.584 0.062 0.000 1.094 371 A CA -0.595 51.386 52.037 -0.093 0.000 0.764 371 A CB 1.223 20.206 19.000 -0.030 0.000 1.230 371 A HN 0.671 nan 8.150 nan 0.000 0.448 372 L N 2.420 123.769 121.223 0.211 0.000 2.295 372 L HA 0.649 4.989 4.340 -0.000 0.000 0.285 372 L C -0.871 176.072 176.870 0.122 0.000 1.035 372 L CA -0.772 54.197 54.840 0.214 0.000 0.806 372 L CB 1.656 43.857 42.059 0.237 0.000 1.214 372 L HN 0.444 nan 8.230 nan 0.000 0.426 373 V N 2.367 122.337 119.914 0.093 0.000 2.686 373 V HA 0.257 4.377 4.120 -0.000 0.000 0.306 373 V C -0.149 175.984 176.094 0.066 0.000 1.065 373 V CA -0.946 61.395 62.300 0.068 0.000 0.894 373 V CB 1.991 33.836 31.823 0.037 0.000 1.004 373 V HN 0.694 nan 8.190 nan 0.000 0.424 374 E N 2.145 122.388 120.200 0.072 0.000 2.418 374 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 374 E C -0.016 176.610 176.600 0.043 0.000 1.070 374 E CA 0.075 56.511 56.400 0.061 0.000 0.931 374 E CB 0.958 30.690 29.700 0.055 0.000 0.954 374 E HN 0.848 nan 8.360 nan 0.000 0.439 375 S N 1.358 117.084 115.700 0.043 0.000 2.564 375 S HA 0.425 4.895 4.470 -0.000 0.000 0.274 375 S C -1.367 173.254 174.600 0.035 0.000 1.124 375 S CA -1.104 57.096 58.200 0.001 0.000 0.869 375 S CB 2.194 65.351 63.200 -0.072 0.000 1.105 375 S HN 0.418 nan 8.310 nan 0.000 0.472 376 D N 0.384 120.802 120.400 0.030 0.000 2.620 376 D HA 0.432 5.072 4.640 -0.000 0.000 0.252 376 D C -0.147 176.269 176.300 0.193 0.000 1.207 376 D CA -0.866 53.236 54.000 0.169 0.000 0.884 376 D CB 0.836 41.761 40.800 0.208 0.000 1.262 376 D HN 0.383 nan 8.370 nan 0.000 0.552 377 F N 2.538 122.645 119.950 0.261 0.000 2.293 377 F HA 0.046 4.573 4.527 -0.000 0.000 0.300 377 F C 1.482 177.536 175.800 0.422 0.000 1.086 377 F CA 0.442 58.599 58.000 0.262 0.000 1.375 377 F CB -0.260 38.869 39.000 0.215 0.000 1.045 377 F HN 0.464 nan 8.300 nan 0.000 0.516 378 F N 1.308 121.462 119.950 0.342 0.000 3.057 378 F HA -0.341 4.186 4.527 -0.000 0.000 0.287 378 F C 1.366 177.289 175.800 0.205 0.000 0.834 378 F CA 0.408 58.544 58.000 0.226 0.000 1.147 378 F CB -1.659 37.456 39.000 0.192 0.000 1.245 378 F HN 0.275 nan 8.300 nan 0.000 0.509 379 N N 0.171 119.020 118.700 0.249 0.000 2.512 379 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 379 N C 1.047 176.562 175.510 0.009 0.000 1.073 379 N CA 1.323 54.469 53.050 0.159 0.000 0.911 379 N CB -0.044 38.583 38.487 0.234 0.000 0.964 379 N HN 0.611 nan 8.380 nan 0.000 0.447 380 D N -0.421 119.917 120.400 -0.103 0.000 2.650 380 D HA 0.252 4.892 4.640 -0.000 0.000 0.265 380 D C 0.991 177.078 176.300 -0.356 0.000 1.339 380 D CA 0.249 54.148 54.000 -0.168 0.000 0.816 380 D CB 0.182 40.911 40.800 -0.117 0.000 1.091 380 D HN 0.314 nan 8.370 nan 0.000 0.483 381 G N 0.683 109.055 108.800 -0.712 0.000 2.611 381 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.301 381 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.301 381 G C 1.202 175.476 174.900 -1.043 0.000 1.233 381 G CA 1.076 45.339 45.100 -1.395 0.000 0.993 381 G HN 0.597 nan 8.290 nan 0.000 0.553 382 T N 0.070 114.357 114.554 -0.446 0.000 3.160 382 T HA 0.459 4.809 4.350 -0.000 0.000 0.257 382 T C 1.391 176.035 174.700 -0.093 0.000 1.147 382 T CA 1.245 63.291 62.100 -0.090 0.000 1.064 382 T CB -0.323 68.563 68.868 0.029 0.000 0.949 382 T HN 1.751 nan 8.240 nan 0.000 0.526 383 G N 1.498 110.205 108.800 -0.156 0.000 2.616 383 G HA2 0.357 4.317 3.960 -0.000 0.000 0.268 383 G HA3 0.357 4.317 3.960 -0.000 0.000 0.268 383 G C 0.797 175.627 174.900 -0.116 0.000 1.213 383 G CA -0.540 44.489 45.100 -0.117 0.000 0.926 383 G HN 0.462 nan 8.290 nan 0.000 0.523 384 K N -0.819 119.505 120.400 -0.126 0.000 2.283 384 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 384 K C 1.367 177.809 176.600 -0.264 0.000 1.048 384 K CA 1.402 57.578 56.287 -0.185 0.000 0.948 384 K CB 0.010 32.398 32.500 -0.186 0.000 0.742 384 K HN 0.332 nan 8.250 nan 0.000 0.458 385 N N 0.886 119.465 118.700 -0.202 0.000 2.336 385 N HA 0.033 4.773 4.740 -0.000 0.000 0.189 385 N C -0.766 174.663 175.510 -0.136 0.000 1.113 385 N CA -0.111 52.818 53.050 -0.202 0.000 0.858 385 N CB 0.395 38.800 38.487 -0.136 0.000 0.970 385 N HN 0.056 nan 8.380 nan 0.000 0.471 386 S N 1.144 116.808 115.700 -0.060 0.000 2.481 386 S HA 0.058 4.528 4.470 -0.000 0.000 0.282 386 S C -0.630 174.046 174.600 0.127 0.000 1.243 386 S CA -0.217 58.010 58.200 0.044 0.000 1.078 386 S CB -0.283 62.959 63.200 0.071 0.000 0.916 386 S HN 0.190 nan 8.310 nan 0.000 0.495 387 Y N 3.234 123.636 120.300 0.169 0.000 2.526 387 Y HA 0.210 4.760 4.550 -0.000 0.000 0.330 387 Y C 1.183 177.256 175.900 0.289 0.000 1.156 387 Y CA -0.024 58.095 58.100 0.031 0.000 1.419 387 Y CB 0.507 38.834 38.460 -0.221 0.000 1.250 387 Y HN 0.336 nan 8.280 nan 0.000 0.540 388 R N 2.433 123.146 120.500 0.356 0.000 2.494 388 R HA 0.813 5.153 4.340 -0.000 0.000 0.305 388 R C -0.691 175.822 176.300 0.356 0.000 0.959 388 R CA -0.996 55.292 56.100 0.314 0.000 0.864 388 R CB 1.596 32.002 30.300 0.178 0.000 1.159 388 R HN 0.727 nan 8.270 nan 0.000 0.446 389 A N 3.073 126.097 122.820 0.339 0.000 2.387 389 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 389 A C -0.690 177.027 177.584 0.223 0.000 1.165 389 A CA -0.786 51.461 52.037 0.349 0.000 0.814 389 A CB 1.380 20.608 19.000 0.381 0.000 1.357 389 A HN 0.623 nan 8.150 nan 0.000 0.443 390 I N 0.758 121.461 120.570 0.222 0.000 2.466 390 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 390 I C -0.995 175.209 176.117 0.145 0.000 1.026 390 I CA -0.204 61.197 61.300 0.169 0.000 1.078 390 I CB 1.797 39.888 38.000 0.153 0.000 1.249 390 I HN 0.469 nan 8.210 nan 0.000 0.429 391 I N 5.425 126.048 120.570 0.089 0.000 2.396 391 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 391 I C -0.549 175.600 176.117 0.053 0.000 0.999 391 I CA -0.306 61.016 61.300 0.037 0.000 1.310 391 I CB 1.244 39.243 38.000 -0.002 0.000 1.404 391 I HN 0.590 nan 8.210 nan 0.000 0.496 392 W N 7.702 128.815 121.300 -0.313 0.000 2.433 392 W HA 0.536 5.196 4.660 -0.000 0.000 0.315 392 W C -1.162 175.124 176.519 -0.389 0.000 1.087 392 W CA -0.824 56.288 57.345 -0.389 0.000 1.205 392 W CB 1.245 30.318 29.460 -0.646 0.000 1.288 392 W HN 0.477 nan 8.180 nan 0.000 0.504 393 R N 4.732 124.725 120.500 -0.846 0.000 2.686 393 R HA 0.513 4.853 4.340 -0.000 0.000 0.286 393 R C -0.904 174.703 176.300 -1.155 0.000 0.969 393 R CA -1.088 54.554 56.100 -0.764 0.000 0.898 393 R CB 2.840 32.991 30.300 -0.248 0.000 1.183 393 R HN 0.504 nan 8.270 nan 0.000 0.456 394 R N 2.324 122.363 120.500 -0.768 0.000 2.534 394 R HA 0.524 4.864 4.340 -0.000 0.000 0.301 394 R C -1.250 174.921 176.300 -0.215 0.000 0.961 394 R CA -0.595 55.171 56.100 -0.555 0.000 0.871 394 R CB 1.354 31.557 30.300 -0.162 0.000 1.170 394 R HN 0.481 nan 8.270 nan 0.000 0.446 395 F N -0.380 119.523 119.950 -0.078 0.000 2.641 395 F HA 0.482 5.009 4.527 -0.000 0.000 0.308 395 F C -0.720 175.191 175.800 0.184 0.000 1.105 395 F CA -1.557 56.452 58.000 0.015 0.000 0.964 395 F CB 0.837 39.651 39.000 -0.310 0.000 1.294 395 F HN 0.375 nan 8.300 nan 0.000 0.442 396 N N 1.753 120.752 118.700 0.499 0.000 2.413 396 N HA 0.303 5.042 4.740 -0.000 0.000 0.266 396 N C 0.369 176.108 175.510 0.381 0.000 1.238 396 N CA -0.757 52.504 53.050 0.352 0.000 0.972 396 N CB 0.728 39.382 38.487 0.280 0.000 1.210 396 N HN 0.897 nan 8.380 nan 0.000 0.547 397 L N -0.641 120.707 121.223 0.207 0.000 2.083 397 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 397 L C 2.527 179.516 176.870 0.199 0.000 1.083 397 L CA 1.358 56.284 54.840 0.142 0.000 0.752 397 L CB -0.562 41.506 42.059 0.016 0.000 0.899 397 L HN 0.745 nan 8.230 nan 0.000 0.433 398 S N -0.497 115.331 115.700 0.213 0.000 2.370 398 S HA -0.287 4.183 4.470 -0.000 0.000 0.226 398 S C 1.784 176.513 174.600 0.215 0.000 1.033 398 S CA 1.486 59.800 58.200 0.189 0.000 1.011 398 S CB -0.480 62.831 63.200 0.185 0.000 0.852 398 S HN 0.556 nan 8.310 nan 0.000 0.457 399 W N 1.799 123.182 121.300 0.139 0.000 2.338 399 W HA -0.095 4.565 4.660 -0.000 0.000 0.304 399 W C 1.781 178.312 176.519 0.021 0.000 1.212 399 W CA 1.800 59.206 57.345 0.101 0.000 1.264 399 W CB -0.429 29.125 29.460 0.156 0.000 1.142 399 W HN 0.339 nan 8.180 nan 0.000 0.512 400 I N 0.126 120.763 120.570 0.112 0.000 2.142 400 I HA -0.339 3.831 4.170 -0.000 0.000 0.240 400 I C 2.344 178.379 176.117 -0.136 0.000 1.078 400 I CA 1.441 62.672 61.300 -0.114 0.000 1.343 400 I CB -0.924 37.130 38.000 0.090 0.000 1.046 400 I HN -0.031 nan 8.210 nan 0.000 0.405 401 L N 0.437 121.652 121.223 -0.013 0.000 2.201 401 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 401 L C 1.666 178.510 176.870 -0.043 0.000 1.105 401 L CA 0.986 55.832 54.840 0.010 0.000 0.775 401 L CB -0.524 41.575 42.059 0.068 0.000 0.913 401 L HN 0.328 nan 8.230 nan 0.000 0.440 402 N N 0.213 118.861 118.700 -0.088 0.000 2.322 402 N HA 0.064 4.804 4.740 -0.000 0.000 0.194 402 N C 0.749 176.148 175.510 -0.186 0.000 1.126 402 N CA 0.220 53.211 53.050 -0.099 0.000 0.845 402 N CB 0.431 38.892 38.487 -0.043 0.000 0.976 402 N HN 0.215 nan 8.380 nan 0.000 0.475 403 G N 1.893 110.527 108.800 -0.278 0.000 2.572 403 G HA2 0.276 4.236 3.960 -0.000 0.000 0.261 403 G HA3 0.276 4.236 3.960 -0.000 0.000 0.261 403 G C -2.336 172.458 174.900 -0.176 0.000 1.197 403 G CA -0.696 44.224 45.100 -0.300 0.000 0.870 403 G HN -0.011 nan 8.290 nan 0.000 0.548 404 P HA 0.088 nan 4.420 nan 0.000 0.272 404 P C -0.171 176.965 177.300 -0.273 0.000 1.223 404 P CA -0.140 62.847 63.100 -0.188 0.000 0.784 404 P CB 0.722 32.307 31.700 -0.191 0.000 0.923 405 N N -1.513 117.020 118.700 -0.278 0.000 2.967 405 N HA -0.098 4.642 4.740 -0.000 0.000 0.241 405 N C -0.115 175.315 175.510 -0.134 0.000 0.983 405 N CA 0.719 53.564 53.050 -0.342 0.000 0.918 405 N CB -1.414 36.528 38.487 -0.910 0.000 1.109 405 N HN 0.533 nan 8.380 nan 0.000 0.567 406 N N 0.000 118.664 118.700 -0.059 0.000 1.763 406 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 406 N CA 0.000 53.060 53.050 0.017 0.000 0.885 406 N CB 0.000 38.517 38.487 0.050 0.000 1.341 406 N HN 0.000 nan 8.380 nan 0.000 0.667