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 2rim_1_A DATA FIRST_RESID 1 DATA SEQUENCE HSLNDFLSSV LPVSEQFEYL SLQSIPLETH AVVTPNKDDK RVPKSTIKTQ DATA SEQUENCE HFFSLFHQGK VFFSLEVYVY VTLWDEADAE RLIFVSKADT NGYCNTRVSV DATA SEQUENCE RDITKIILEF ILSIDPNYYL QKVKPAIRSY KKISPELISA ASXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXLYLSFT CPREILTKIC LFTRPASQYL DATA SEQUENCE FPDSSKNSKK HILNGEELXK WWGFILDRLL IECFQNDTQA KLRIPGEDPA DATA SEQUENCE RVRSYLRGXK YPLWQVGDIF TSKENSLAVY NIPLFPDDPK ARFIHQLAEE DATA SEQUENCE DRLLKVSLSS FWIELQERQE FKLSVTSSVX GISGYSLATP SLFPSSADVI DATA SEQUENCE VPKSRKQFRA IKKYITGEEY DTEEGAIEAF TNIRDFLLLR XATNLQSLTG DATA SEQUENCE KREH 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.286 175.328 -0.070 0.000 0.993 1 H CA 0.000 56.022 56.048 -0.043 0.000 1.023 1 H CB 0.000 29.728 29.762 -0.057 0.000 1.292 2 S N -0.841 115.073 115.700 0.356 0.000 3.610 2 S HA -0.171 4.302 4.470 0.004 0.000 0.843 2 S C 1.149 175.882 174.600 0.222 0.000 1.377 2 S CA 0.620 58.996 58.200 0.294 0.000 0.943 2 S CB -0.700 62.611 63.200 0.186 0.000 0.392 2 S HN 1.807 nan 8.310 nan 0.000 0.413 3 L N 1.608 122.694 121.223 -0.228 0.000 2.187 3 L HA -0.092 4.250 4.340 0.004 0.000 0.213 3 L C 2.323 179.018 176.870 -0.292 0.000 1.100 3 L CA 2.335 56.742 54.840 -0.720 0.000 0.765 3 L CB -1.337 40.006 42.059 -1.193 0.000 0.904 3 L HN 0.813 nan 8.230 nan 0.000 0.437 4 N N -0.076 118.606 118.700 -0.030 0.000 2.043 4 N HA -0.215 4.527 4.740 0.004 0.000 0.193 4 N C 1.394 176.948 175.510 0.073 0.000 1.037 4 N CA 1.808 54.913 53.050 0.092 0.000 0.851 4 N CB -0.097 38.507 38.487 0.195 0.000 1.027 4 N HN 0.403 nan 8.380 nan 0.000 0.422 5 D N 0.162 120.628 120.400 0.110 0.000 2.106 5 D HA -0.169 4.473 4.640 0.004 0.000 0.191 5 D C 1.950 178.262 176.300 0.019 0.000 0.997 5 D CA 1.000 55.038 54.000 0.063 0.000 0.834 5 D CB -0.703 40.132 40.800 0.059 0.000 0.956 5 D HN 0.268 nan 8.370 nan 0.000 0.448 6 F N 0.807 120.711 119.950 -0.076 0.000 2.026 6 F HA -0.115 4.414 4.527 0.004 0.000 0.296 6 F C 2.609 178.321 175.800 -0.147 0.000 1.133 6 F CA 0.788 58.731 58.000 -0.096 0.000 1.188 6 F CB -0.891 38.056 39.000 -0.088 0.000 0.968 6 F HN -0.083 nan 8.300 nan 0.000 0.476 7 L N -0.753 120.462 121.223 -0.014 0.000 1.971 7 L HA -0.306 4.037 4.340 0.004 0.000 0.215 7 L C 2.564 179.370 176.870 -0.106 0.000 1.072 7 L CA 1.715 56.472 54.840 -0.137 0.000 0.758 7 L CB -1.024 40.884 42.059 -0.251 0.000 0.889 7 L HN 0.097 nan 8.230 nan 0.000 0.433 8 S N -0.087 115.586 115.700 -0.046 0.000 2.381 8 S HA -0.278 4.194 4.470 0.004 0.000 0.230 8 S C 2.120 176.686 174.600 -0.057 0.000 1.052 8 S CA 1.902 60.090 58.200 -0.021 0.000 1.068 8 S CB -0.523 62.692 63.200 0.024 0.000 0.918 8 S HN 0.684 nan 8.310 nan 0.000 0.448 9 S N 1.290 116.948 115.700 -0.071 0.000 2.419 9 S HA -0.079 4.393 4.470 0.004 0.000 0.233 9 S C 1.758 176.301 174.600 -0.095 0.000 1.016 9 S CA 1.148 59.295 58.200 -0.088 0.000 0.974 9 S CB -0.598 62.530 63.200 -0.120 0.000 0.786 9 S HN 0.572 nan 8.310 nan 0.000 0.492 10 V N -1.664 118.183 119.914 -0.112 0.000 3.621 10 V HA 0.501 4.623 4.120 0.004 0.000 0.285 10 V C 0.350 176.346 176.094 -0.163 0.000 1.346 10 V CA -0.407 61.819 62.300 -0.124 0.000 1.104 10 V CB -0.745 31.002 31.823 -0.127 0.000 0.913 10 V HN 0.391 nan 8.190 nan 0.000 0.432 11 L N 2.636 123.743 121.223 -0.194 0.000 2.325 11 L HA 0.540 4.882 4.340 0.004 0.000 0.279 11 L C -2.235 174.568 176.870 -0.113 0.000 1.054 11 L CA -2.125 52.546 54.840 -0.282 0.000 0.804 11 L CB 1.736 43.480 42.059 -0.524 0.000 1.200 11 L HN 0.004 nan 8.230 nan 0.000 0.436 12 P HA 0.021 nan 4.420 nan 0.000 0.268 12 P C -0.449 176.878 177.300 0.045 0.000 1.205 12 P CA -0.255 62.869 63.100 0.041 0.000 0.771 12 P CB 0.609 32.442 31.700 0.221 0.000 0.858 13 V N 2.085 121.932 119.914 -0.111 0.000 2.752 13 V HA -0.118 4.004 4.120 0.004 0.000 0.306 13 V C 1.422 177.546 176.094 0.050 0.000 1.099 13 V CA 0.773 63.040 62.300 -0.055 0.000 1.240 13 V CB -1.187 30.564 31.823 -0.120 0.000 0.887 13 V HN 0.837 nan 8.190 nan 0.000 0.499 14 S N 1.415 117.156 115.700 0.068 0.000 3.380 14 S HA -0.195 4.277 4.470 0.004 0.000 0.300 14 S C 0.273 174.940 174.600 0.112 0.000 1.255 14 S CA 1.572 59.821 58.200 0.082 0.000 0.963 14 S CB -1.034 62.200 63.200 0.056 0.000 1.106 14 S HN 0.963 nan 8.310 nan 0.000 0.629 15 E N 0.685 120.997 120.200 0.187 0.000 2.191 15 E HA 0.367 4.719 4.350 0.004 0.000 0.274 15 E C -0.273 176.421 176.600 0.157 0.000 0.948 15 E CA -0.853 55.646 56.400 0.165 0.000 0.802 15 E CB 0.671 30.507 29.700 0.227 0.000 1.137 15 E HN 0.099 nan 8.360 nan 0.000 0.397 16 Q N 2.307 122.043 119.800 -0.106 0.000 2.278 16 Q HA 0.411 4.753 4.340 0.004 0.000 0.257 16 Q C -0.932 174.913 176.000 -0.258 0.000 0.928 16 Q CA 0.024 55.800 55.803 -0.044 0.000 0.932 16 Q CB 0.691 29.398 28.738 -0.052 0.000 1.221 16 Q HN 0.359 nan 8.270 nan 0.000 0.434 17 F N 0.030 120.132 119.950 0.254 0.000 2.640 17 F HA 0.514 5.043 4.527 0.004 0.000 0.324 17 F C 0.374 176.360 175.800 0.310 0.000 1.077 17 F CA -0.925 57.278 58.000 0.338 0.000 0.965 17 F CB 1.844 41.054 39.000 0.351 0.000 1.351 17 F HN 0.337 nan 8.300 nan 0.000 0.487 18 E N -0.335 120.208 120.200 0.573 0.000 2.393 18 E HA 0.518 4.870 4.350 0.004 0.000 0.273 18 E C -1.921 175.093 176.600 0.690 0.000 0.918 18 E CA -0.958 55.721 56.400 0.466 0.000 0.773 18 E CB 3.288 33.173 29.700 0.308 0.000 1.275 18 E HN 0.527 nan 8.360 nan 0.000 0.451 19 Y N -0.161 120.413 120.300 0.457 0.000 2.562 19 Y HA 0.715 5.267 4.550 0.004 0.000 0.345 19 Y C -1.807 174.360 175.900 0.445 0.000 1.045 19 Y CA -1.473 56.920 58.100 0.488 0.000 1.028 19 Y CB 0.950 39.589 38.460 0.298 0.000 1.297 19 Y HN 0.401 nan 8.280 nan 0.000 0.463 20 L N 2.591 124.215 121.223 0.668 0.000 2.313 20 L HA 0.738 5.080 4.340 0.004 0.000 0.283 20 L C -0.768 176.361 176.870 0.432 0.000 1.013 20 L CA -0.221 54.891 54.840 0.454 0.000 0.816 20 L CB 1.944 44.312 42.059 0.515 0.000 1.236 20 L HN 0.763 nan 8.230 nan 0.000 0.419 21 S N 5.423 121.322 115.700 0.331 0.000 2.669 21 S HA 0.654 5.127 4.470 0.004 0.000 0.315 21 S C -1.052 173.591 174.600 0.072 0.000 1.106 21 S CA -0.515 57.769 58.200 0.141 0.000 1.107 21 S CB 0.351 63.747 63.200 0.326 0.000 0.990 21 S HN 0.646 nan 8.310 nan 0.000 0.471 22 L N 4.309 125.531 121.223 -0.001 0.000 2.334 22 L HA 0.685 5.027 4.340 0.004 0.000 0.273 22 L C -0.489 176.480 176.870 0.165 0.000 1.013 22 L CA 0.011 54.921 54.840 0.117 0.000 0.816 22 L CB 1.830 43.941 42.059 0.086 0.000 1.278 22 L HN 0.749 nan 8.230 nan 0.000 0.431 23 Q N 1.857 121.806 119.800 0.249 0.000 2.284 23 Q HA 0.452 4.795 4.340 0.004 0.000 0.269 23 Q C -1.142 174.829 176.000 -0.049 0.000 1.026 23 Q CA -0.593 55.236 55.803 0.043 0.000 0.831 23 Q CB 1.940 30.639 28.738 -0.067 0.000 1.322 23 Q HN 0.845 nan 8.270 nan 0.000 0.419 24 S N 3.010 118.417 115.700 -0.489 0.000 2.608 24 S HA 0.419 4.892 4.470 0.004 0.000 0.261 24 S C 0.442 174.877 174.600 -0.276 0.000 1.314 24 S CA -0.594 57.216 58.200 -0.650 0.000 0.992 24 S CB 0.443 63.082 63.200 -0.935 0.000 0.935 24 S HN 0.591 nan 8.310 nan 0.000 0.564 25 I N 2.331 122.784 120.570 -0.195 0.000 2.452 25 I HA 0.229 4.401 4.170 0.004 0.000 0.287 25 I C -2.122 173.948 176.117 -0.078 0.000 1.079 25 I CA -2.084 59.159 61.300 -0.095 0.000 1.387 25 I CB 0.258 38.248 38.000 -0.016 0.000 1.404 25 I HN 0.446 nan 8.210 nan 0.000 0.522 26 P HA 0.025 nan 4.420 nan 0.000 0.263 26 P C -1.215 176.090 177.300 0.008 0.000 1.175 26 P CA 0.174 63.261 63.100 -0.021 0.000 0.761 26 P CB 0.363 32.079 31.700 0.028 0.000 0.794 27 L N -0.707 120.503 121.223 -0.021 0.000 2.434 27 L HA 0.562 4.904 4.340 0.004 0.000 0.260 27 L C -0.369 176.492 176.870 -0.016 0.000 0.983 27 L CA -0.939 53.901 54.840 -0.000 0.000 0.820 27 L CB 1.223 43.269 42.059 -0.021 0.000 1.361 27 L HN 0.149 nan 8.230 nan 0.000 0.410 28 E N 0.756 120.963 120.200 0.012 0.000 2.376 28 E HA 0.370 4.722 4.350 0.004 0.000 0.266 28 E C -0.599 175.975 176.600 -0.044 0.000 1.009 28 E CA 0.270 56.666 56.400 -0.006 0.000 0.902 28 E CB 0.993 30.710 29.700 0.028 0.000 0.972 28 E HN 0.760 nan 8.360 nan 0.000 0.439 29 T N 1.522 116.029 114.554 -0.079 0.000 2.742 29 T HA 0.187 4.539 4.350 0.004 0.000 0.282 29 T C -0.683 173.938 174.700 -0.132 0.000 1.025 29 T CA -0.814 61.208 62.100 -0.130 0.000 1.020 29 T CB 0.749 69.499 68.868 -0.197 0.000 1.317 29 T HN 0.586 nan 8.240 nan 0.000 0.538 30 H N 0.524 119.573 119.070 -0.034 0.000 2.603 30 H HA 0.653 5.211 4.556 0.004 0.000 0.370 30 H C 0.257 175.534 175.328 -0.085 0.000 1.225 30 H CA -0.491 55.519 56.048 -0.064 0.000 1.410 30 H CB 0.264 29.981 29.762 -0.075 0.000 1.495 30 H HN 0.717 nan 8.280 nan 0.000 0.602 31 A N 1.935 124.783 122.820 0.047 0.000 2.531 31 A HA 0.103 4.425 4.320 0.004 0.000 0.236 31 A C 1.536 179.108 177.584 -0.020 0.000 1.062 31 A CA -0.127 51.878 52.037 -0.054 0.000 0.760 31 A CB 0.028 18.991 19.000 -0.062 0.000 0.995 31 A HN 0.641 nan 8.150 nan 0.000 0.501 32 V N 2.512 122.311 119.914 -0.192 0.000 2.380 32 V HA -0.175 3.947 4.120 0.004 0.000 0.251 32 V C 0.913 176.816 176.094 -0.317 0.000 1.063 32 V CA 1.862 63.951 62.300 -0.351 0.000 1.055 32 V CB -0.760 30.788 31.823 -0.459 0.000 0.657 32 V HN 0.582 nan 8.190 nan 0.000 0.455 33 V N -0.418 119.374 119.914 -0.204 0.000 2.487 33 V HA 0.270 4.392 4.120 0.004 0.000 0.298 33 V C 0.160 176.201 176.094 -0.088 0.000 1.028 33 V CA -0.675 61.512 62.300 -0.189 0.000 0.860 33 V CB 1.403 33.137 31.823 -0.148 0.000 0.991 33 V HN 0.268 nan 8.190 nan 0.000 0.427 34 T N 7.545 122.039 114.554 -0.099 0.000 2.704 34 T HA 0.063 4.415 4.350 0.004 0.000 0.271 34 T C -2.214 172.541 174.700 0.092 0.000 1.000 34 T CA -0.061 62.027 62.100 -0.021 0.000 1.216 34 T CB -0.081 68.750 68.868 -0.061 0.000 0.961 34 T HN 0.467 nan 8.240 nan 0.000 0.515 35 P HA 0.060 nan 4.420 nan 0.000 0.267 35 P C 0.003 177.319 177.300 0.026 0.000 1.200 35 P CA -0.320 62.808 63.100 0.047 0.000 0.772 35 P CB 0.458 32.174 31.700 0.027 0.000 0.855 36 N N 1.349 119.967 118.700 -0.137 0.000 2.404 36 N HA 0.207 4.949 4.740 0.004 0.000 0.297 36 N C 0.101 175.485 175.510 -0.211 0.000 1.163 36 N CA -0.779 52.042 53.050 -0.381 0.000 0.864 36 N CB 1.524 39.456 38.487 -0.925 0.000 1.247 36 N HN 0.190 nan 8.380 nan 0.000 0.510 37 K N -0.517 119.765 120.400 -0.196 0.000 2.555 37 K HA -0.019 4.303 4.320 0.004 0.000 0.193 37 K C -0.272 176.268 176.600 -0.100 0.000 1.032 37 K CA 0.736 56.958 56.287 -0.107 0.000 1.004 37 K CB 0.122 32.577 32.500 -0.076 0.000 0.804 37 K HN 0.480 nan 8.250 nan 0.000 0.496 38 D N 0.294 120.611 120.400 -0.137 0.000 2.366 38 D HA -0.017 4.626 4.640 0.004 0.000 0.205 38 D C 0.037 176.288 176.300 -0.082 0.000 1.022 38 D CA 0.259 54.197 54.000 -0.103 0.000 0.868 38 D CB 0.092 40.820 40.800 -0.120 0.000 0.953 38 D HN -0.000 nan 8.370 nan 0.000 0.514 39 D N 0.836 121.184 120.400 -0.086 0.000 2.449 39 D HA -0.002 4.640 4.640 0.004 0.000 0.236 39 D C 1.233 177.520 176.300 -0.023 0.000 1.149 39 D CA 0.379 54.349 54.000 -0.049 0.000 0.878 39 D CB 1.030 41.819 40.800 -0.019 0.000 1.198 39 D HN -0.025 nan 8.370 nan 0.000 0.446 40 K N 1.451 121.839 120.400 -0.019 0.000 2.323 40 K HA 0.090 4.412 4.320 0.004 0.000 0.197 40 K C 0.412 177.031 176.600 0.032 0.000 1.043 40 K CA 0.383 56.666 56.287 -0.007 0.000 0.997 40 K CB 0.507 32.991 32.500 -0.027 0.000 0.807 40 K HN 0.192 nan 8.250 nan 0.000 0.497 41 R N 0.985 121.525 120.500 0.067 0.000 2.562 41 R HA 0.407 4.749 4.340 0.004 0.000 0.298 41 R C -1.116 175.341 176.300 0.261 0.000 0.961 41 R CA -0.552 55.670 56.100 0.203 0.000 0.881 41 R CB 2.446 32.920 30.300 0.291 0.000 1.159 41 R HN -0.189 nan 8.270 nan 0.000 0.450 42 V N 4.292 124.335 119.914 0.215 0.000 2.495 42 V HA 0.312 4.434 4.120 0.004 0.000 0.298 42 V C -2.197 173.938 176.094 0.069 0.000 1.031 42 V CA -2.318 60.055 62.300 0.122 0.000 0.871 42 V CB 2.091 33.942 31.823 0.046 0.000 0.988 42 V HN 0.642 nan 8.190 nan 0.000 0.432 43 P HA 0.075 nan 4.420 nan 0.000 0.262 43 P C 0.692 177.839 177.300 -0.256 0.000 1.199 43 P CA -0.101 62.705 63.100 -0.491 0.000 0.763 43 P CB 0.332 31.548 31.700 -0.807 0.000 0.790 44 K N 1.317 121.599 120.400 -0.197 0.000 2.209 44 K HA -0.028 4.294 4.320 0.004 0.000 0.204 44 K C 0.464 176.953 176.600 -0.185 0.000 1.048 44 K CA 0.816 57.031 56.287 -0.120 0.000 0.940 44 K CB 0.079 32.544 32.500 -0.058 0.000 0.729 44 K HN 0.290 nan 8.250 nan 0.000 0.451 45 S N -0.737 114.770 115.700 -0.323 0.000 2.558 45 S HA 0.260 4.732 4.470 0.004 0.000 0.277 45 S C -1.697 172.678 174.600 -0.376 0.000 1.143 45 S CA -0.817 57.178 58.200 -0.341 0.000 0.865 45 S CB 2.187 65.075 63.200 -0.519 0.000 1.102 45 S HN 0.213 nan 8.310 nan 0.000 0.454 46 T N 3.717 118.115 114.554 -0.261 0.000 2.809 46 T HA 0.587 4.939 4.350 0.004 0.000 0.284 46 T C -0.960 173.660 174.700 -0.133 0.000 0.992 46 T CA -0.280 61.699 62.100 -0.201 0.000 0.957 46 T CB 0.648 69.424 68.868 -0.153 0.000 0.942 46 T HN 0.410 nan 8.240 nan 0.000 0.439 47 I N 3.319 123.819 120.570 -0.118 0.000 2.339 47 I HA 0.404 4.577 4.170 0.004 0.000 0.290 47 I C 0.231 176.253 176.117 -0.159 0.000 0.994 47 I CA -0.439 60.804 61.300 -0.094 0.000 1.191 47 I CB 1.264 39.236 38.000 -0.047 0.000 1.343 47 I HN 0.301 nan 8.210 nan 0.000 0.458 48 K N 4.777 125.051 120.400 -0.210 0.000 2.182 48 K HA 0.737 5.059 4.320 0.004 0.000 0.262 48 K C -1.206 175.229 176.600 -0.276 0.000 0.957 48 K CA -0.324 55.719 56.287 -0.406 0.000 0.842 48 K CB 1.343 33.575 32.500 -0.447 0.000 1.099 48 K HN 0.643 nan 8.250 nan 0.000 0.438 49 T N 3.055 117.428 114.554 -0.302 0.000 2.991 49 T HA 0.137 4.489 4.350 0.004 0.000 0.303 49 T C -1.091 173.498 174.700 -0.186 0.000 1.015 49 T CA -0.612 61.361 62.100 -0.211 0.000 1.007 49 T CB 1.615 70.397 68.868 -0.145 0.000 1.034 49 T HN 0.588 nan 8.240 nan 0.000 0.446 50 Q N 2.207 121.854 119.800 -0.255 0.000 2.256 50 Q HA 0.325 4.667 4.340 0.004 0.000 0.254 50 Q C -1.136 174.711 176.000 -0.256 0.000 0.916 50 Q CA -0.472 55.109 55.803 -0.370 0.000 0.932 50 Q CB 0.566 29.049 28.738 -0.424 0.000 1.207 50 Q HN 0.690 nan 8.270 nan 0.000 0.426 51 H N 2.688 121.701 119.070 -0.095 0.000 2.459 51 H HA 0.386 4.944 4.556 0.004 0.000 0.332 51 H C -1.589 173.686 175.328 -0.089 0.000 1.094 51 H CA -0.308 55.701 56.048 -0.066 0.000 1.224 51 H CB 1.028 30.831 29.762 0.067 0.000 1.449 51 H HN 0.512 nan 8.280 nan 0.000 0.484 52 F N 4.340 124.148 119.950 -0.236 0.000 2.518 52 F HA 0.475 5.005 4.527 0.005 0.000 0.323 52 F C -1.803 173.784 175.800 -0.354 0.000 1.129 52 F CA -0.863 57.021 58.000 -0.192 0.000 0.920 52 F CB 0.607 39.533 39.000 -0.124 0.000 1.160 52 F HN 0.382 nan 8.300 nan 0.000 0.440 53 F N 3.003 122.610 119.950 -0.572 0.000 2.532 53 F HA 0.679 5.208 4.527 0.004 0.000 0.321 53 F C -0.148 175.312 175.800 -0.567 0.000 1.089 53 F CA -0.724 57.090 58.000 -0.312 0.000 0.926 53 F CB 2.355 41.284 39.000 -0.119 0.000 1.168 53 F HN 0.281 nan 8.300 nan 0.000 0.459 54 S N 2.632 118.317 115.700 -0.025 0.000 2.541 54 S HA 0.693 5.165 4.470 0.004 0.000 0.280 54 S C -1.631 172.904 174.600 -0.110 0.000 1.112 54 S CA -0.528 57.566 58.200 -0.176 0.000 0.925 54 S CB 2.072 65.168 63.200 -0.173 0.000 1.067 54 S HN 0.452 nan 8.310 nan 0.000 0.479 55 L N 2.894 123.945 121.223 -0.287 0.000 2.346 55 L HA 0.749 5.091 4.340 0.004 0.000 0.274 55 L C -1.730 174.846 176.870 -0.492 0.000 1.007 55 L CA -0.282 54.431 54.840 -0.212 0.000 0.818 55 L CB 0.885 42.797 42.059 -0.244 0.000 1.284 55 L HN 0.630 nan 8.230 nan 0.000 0.424 56 F N 2.977 123.100 119.950 0.288 0.000 2.532 56 F HA 0.515 5.044 4.527 0.003 0.000 0.321 56 F C -0.220 175.942 175.800 0.603 0.000 1.089 56 F CA -0.651 57.597 58.000 0.413 0.000 0.926 56 F CB 1.612 40.816 39.000 0.340 0.000 1.168 56 F HN 0.399 nan 8.300 nan 0.000 0.459 57 H N 2.739 122.165 119.070 0.594 0.000 2.877 57 H HA 0.215 4.773 4.556 0.004 0.000 0.347 57 H C -0.824 174.513 175.328 0.015 0.000 1.042 57 H CA -0.515 55.665 56.048 0.220 0.000 1.276 57 H CB 1.557 31.387 29.762 0.114 0.000 1.681 57 H HN 0.859 nan 8.280 nan 0.000 0.521 58 Q N 3.107 122.560 119.800 -0.579 0.000 2.468 58 Q HA -0.200 4.142 4.340 0.004 0.000 0.289 58 Q C 0.766 176.532 176.000 -0.390 0.000 1.299 58 Q CA 0.936 56.432 55.803 -0.512 0.000 0.838 58 Q CB -1.578 26.823 28.738 -0.562 0.000 1.195 58 Q HN 1.166 nan 8.270 nan 0.000 0.456 59 G N -0.265 108.165 108.800 -0.618 0.000 2.153 59 G HA2 -0.333 3.629 3.960 0.004 0.000 0.252 59 G HA3 -0.333 3.629 3.960 0.004 0.000 0.252 59 G C -0.106 174.434 174.900 -0.601 0.000 0.994 59 G CA 0.814 45.253 45.100 -1.101 0.000 0.698 59 G HN 0.288 nan 8.290 nan 0.000 0.521 60 K N -0.357 119.948 120.400 -0.158 0.000 2.443 60 K HA 0.592 4.914 4.320 0.004 0.000 0.252 60 K C -0.037 176.839 176.600 0.461 0.000 0.933 60 K CA -0.920 55.489 56.287 0.203 0.000 0.792 60 K CB 3.100 35.706 32.500 0.177 0.000 1.185 60 K HN 0.119 nan 8.250 nan 0.000 0.425 61 V N 4.492 124.725 119.914 0.531 0.000 2.740 61 V HA 0.090 4.212 4.120 0.004 0.000 0.303 61 V C 0.007 176.233 176.094 0.220 0.000 1.054 61 V CA 0.825 63.265 62.300 0.233 0.000 1.106 61 V CB 0.191 32.152 31.823 0.231 0.000 0.957 61 V HN 0.836 nan 8.190 nan 0.000 0.486 62 F N 5.131 125.079 119.950 -0.002 0.000 2.938 62 F HA 0.515 5.044 4.527 0.004 0.000 0.370 62 F C -0.549 175.265 175.800 0.024 0.000 0.981 62 F CA -0.735 57.235 58.000 -0.049 0.000 1.108 62 F CB 0.016 39.063 39.000 0.079 0.000 1.086 62 F HN 0.354 nan 8.300 nan 0.000 0.569 63 F N 1.557 121.186 119.950 -0.534 0.000 2.578 63 F HA 0.788 5.317 4.527 0.004 0.000 0.311 63 F C -1.001 174.756 175.800 -0.071 0.000 1.094 63 F CA -0.809 57.034 58.000 -0.261 0.000 0.923 63 F CB 2.140 40.807 39.000 -0.554 0.000 1.230 63 F HN -0.102 nan 8.300 nan 0.000 0.450 64 S N 4.436 119.634 115.700 -0.837 0.000 2.541 64 S HA 0.818 5.290 4.470 0.004 0.000 0.271 64 S C -2.229 171.733 174.600 -1.063 0.000 1.133 64 S CA -0.571 57.071 58.200 -0.931 0.000 0.876 64 S CB 2.045 64.854 63.200 -0.652 0.000 1.105 64 S HN 0.763 nan 8.310 nan 0.000 0.470 65 L N 2.307 123.020 121.223 -0.850 0.000 2.505 65 L HA 0.613 4.956 4.340 0.004 0.000 0.266 65 L C -1.156 175.578 176.870 -0.226 0.000 0.954 65 L CA -0.048 54.543 54.840 -0.414 0.000 0.852 65 L CB 1.870 43.812 42.059 -0.195 0.000 1.282 65 L HN 0.765 nan 8.230 nan 0.000 0.403 66 E N 3.914 124.077 120.200 -0.061 0.000 2.191 66 E HA 0.714 5.066 4.350 0.004 0.000 0.263 66 E C -1.909 174.683 176.600 -0.014 0.000 0.881 66 E CA -0.607 55.822 56.400 0.048 0.000 0.757 66 E CB 1.874 31.657 29.700 0.139 0.000 1.147 66 E HN 0.536 nan 8.360 nan 0.000 0.414 67 V N 4.788 124.686 119.914 -0.027 0.000 2.841 67 V HA 0.412 4.535 4.120 0.004 0.000 0.310 67 V C -1.382 174.646 176.094 -0.111 0.000 1.090 67 V CA -0.724 61.581 62.300 0.007 0.000 0.930 67 V CB 1.663 33.590 31.823 0.174 0.000 1.014 67 V HN 0.623 nan 8.190 nan 0.000 0.425 68 Y N 2.132 122.515 120.300 0.140 0.000 2.429 68 Y HA 0.733 5.285 4.550 0.003 0.000 0.342 68 Y C -0.118 175.822 175.900 0.067 0.000 1.004 68 Y CA -0.936 57.222 58.100 0.098 0.000 1.075 68 Y CB 2.298 40.864 38.460 0.177 0.000 1.214 68 Y HN 0.329 nan 8.280 nan 0.000 0.455 69 V N 3.720 123.650 119.914 0.027 0.000 2.444 69 V HA 0.350 4.472 4.120 0.004 0.000 0.294 69 V C -1.206 174.726 176.094 -0.271 0.000 1.022 69 V CA -1.206 61.042 62.300 -0.086 0.000 0.850 69 V CB 0.778 32.414 31.823 -0.313 0.000 0.992 69 V HN 0.605 nan 8.190 nan 0.000 0.426 70 Y N 3.037 123.303 120.300 -0.057 0.000 2.360 70 Y HA 0.645 5.197 4.550 0.004 0.000 0.337 70 Y C 0.096 175.933 175.900 -0.106 0.000 1.039 70 Y CA -0.926 57.127 58.100 -0.079 0.000 1.109 70 Y CB 2.088 40.541 38.460 -0.011 0.000 1.201 70 Y HN 0.357 nan 8.280 nan 0.000 0.458 71 V N 3.254 123.161 119.914 -0.011 0.000 2.378 71 V HA 0.335 4.457 4.120 0.004 0.000 0.288 71 V C -0.292 175.750 176.094 -0.087 0.000 1.016 71 V CA -0.696 61.589 62.300 -0.025 0.000 0.840 71 V CB 1.501 33.312 31.823 -0.021 0.000 0.994 71 V HN 0.812 nan 8.190 nan 0.000 0.431 72 T N 6.955 121.442 114.554 -0.113 0.000 2.767 72 T HA 0.637 4.989 4.350 0.004 0.000 0.284 72 T C -0.318 174.121 174.700 -0.435 0.000 0.973 72 T CA -0.253 61.653 62.100 -0.324 0.000 0.996 72 T CB 0.764 69.406 68.868 -0.377 0.000 0.927 72 T HN 0.347 nan 8.240 nan 0.000 0.456 73 L N 3.205 124.090 121.223 -0.563 0.000 2.313 73 L HA 0.438 4.781 4.340 0.004 0.000 0.283 73 L C 0.000 176.559 176.870 -0.519 0.000 1.013 73 L CA -0.714 53.866 54.840 -0.434 0.000 0.816 73 L CB 1.569 43.389 42.059 -0.398 0.000 1.236 73 L HN 0.827 nan 8.230 nan 0.000 0.419 74 W N 0.336 121.611 121.300 -0.042 0.000 2.728 74 W HA 0.215 4.878 4.660 0.004 0.000 0.270 74 W C 0.488 177.001 176.519 -0.009 0.000 1.150 74 W CA -0.024 57.306 57.345 -0.023 0.000 1.518 74 W CB 0.431 29.886 29.460 -0.009 0.000 1.069 74 W HN 0.343 nan 8.180 nan 0.000 0.590 75 D N -1.071 119.467 120.400 0.231 0.000 2.812 75 D HA 0.064 4.707 4.640 0.004 0.000 0.318 75 D C 0.773 177.147 176.300 0.125 0.000 1.234 75 D CA -0.498 53.591 54.000 0.148 0.000 0.989 75 D CB 0.776 41.660 40.800 0.139 0.000 1.442 75 D HN -0.141 nan 8.370 nan 0.000 0.537 76 E N 0.211 120.479 120.200 0.112 0.000 2.097 76 E HA -0.186 4.167 4.350 0.004 0.000 0.196 76 E C 1.465 178.130 176.600 0.109 0.000 1.000 76 E CA 1.605 58.070 56.400 0.109 0.000 0.804 76 E CB 0.045 29.801 29.700 0.094 0.000 0.740 76 E HN 0.389 nan 8.360 nan 0.000 0.454 77 A N 1.459 124.342 122.820 0.106 0.000 2.044 77 A HA -0.025 4.298 4.320 0.004 0.000 0.213 77 A C 0.435 178.090 177.584 0.117 0.000 1.169 77 A CA 0.381 52.477 52.037 0.098 0.000 0.724 77 A CB 0.235 19.280 19.000 0.075 0.000 0.840 77 A HN 0.260 nan 8.150 nan 0.000 0.463 78 D N -1.075 119.417 120.400 0.153 0.000 2.498 78 D HA 0.687 5.329 4.640 0.004 0.000 0.247 78 D C -0.634 175.864 176.300 0.330 0.000 1.070 78 D CA -0.089 54.028 54.000 0.196 0.000 0.842 78 D CB 1.585 42.459 40.800 0.123 0.000 1.361 78 D HN 0.337 nan 8.370 nan 0.000 0.484 79 A N 1.652 124.659 122.820 0.312 0.000 2.612 79 A HA 0.663 4.985 4.320 0.004 0.000 0.293 79 A C -1.369 176.373 177.584 0.263 0.000 1.075 79 A CA -0.874 51.333 52.037 0.284 0.000 0.680 79 A CB 1.625 20.715 19.000 0.151 0.000 1.279 79 A HN 0.527 nan 8.150 nan 0.000 0.411 80 E N 0.209 120.544 120.200 0.225 0.000 2.314 80 E HA 0.504 4.856 4.350 0.004 0.000 0.272 80 E C -0.926 175.743 176.600 0.114 0.000 0.884 80 E CA -0.796 55.714 56.400 0.183 0.000 0.753 80 E CB 2.535 32.396 29.700 0.268 0.000 1.213 80 E HN 0.688 nan 8.360 nan 0.000 0.432 81 R N 2.482 123.039 120.500 0.095 0.000 2.589 81 R HA 0.716 5.058 4.340 0.004 0.000 0.293 81 R C -1.136 175.231 176.300 0.112 0.000 0.963 81 R CA -0.850 55.305 56.100 0.091 0.000 0.905 81 R CB 1.398 31.744 30.300 0.077 0.000 1.144 81 R HN 0.405 nan 8.270 nan 0.000 0.459 82 L N 3.816 125.128 121.223 0.148 0.000 2.406 82 L HA 0.533 4.875 4.340 0.004 0.000 0.272 82 L C -1.291 175.711 176.870 0.221 0.000 0.980 82 L CA -0.867 54.085 54.840 0.185 0.000 0.831 82 L CB 1.744 43.927 42.059 0.207 0.000 1.253 82 L HN 0.723 nan 8.230 nan 0.000 0.406 83 I N 5.075 125.749 120.570 0.174 0.000 2.307 83 I HA 0.214 4.386 4.170 0.004 0.000 0.289 83 I C -0.932 175.282 176.117 0.161 0.000 1.021 83 I CA -0.363 61.037 61.300 0.165 0.000 1.224 83 I CB 1.133 39.201 38.000 0.113 0.000 1.376 83 I HN 0.464 nan 8.210 nan 0.000 0.470 84 F N 8.433 128.386 119.950 0.005 0.000 2.361 84 F HA 0.436 4.965 4.527 0.003 0.000 0.364 84 F C -0.390 175.388 175.800 -0.038 0.000 1.120 84 F CA -0.855 57.020 58.000 -0.209 0.000 1.102 84 F CB 0.921 39.608 39.000 -0.521 0.000 1.183 84 F HN 0.054 nan 8.300 nan 0.000 0.476 85 V N 6.956 126.512 119.914 -0.597 0.000 2.372 85 V HA 0.118 4.240 4.120 0.004 0.000 0.261 85 V C 0.863 176.369 176.094 -0.981 0.000 1.055 85 V CA 0.439 62.397 62.300 -0.570 0.000 0.930 85 V CB 0.366 31.913 31.823 -0.459 0.000 1.031 85 V HN 0.975 nan 8.190 nan 0.000 0.479 86 S N 4.506 119.728 115.700 -0.796 0.000 2.387 86 S HA 0.217 4.690 4.470 0.004 0.000 0.221 86 S C 0.674 175.098 174.600 -0.293 0.000 1.041 86 S CA 0.644 58.434 58.200 -0.684 0.000 0.959 86 S CB 0.184 63.351 63.200 -0.055 0.000 0.843 86 S HN 0.722 nan 8.310 nan 0.000 0.488 87 K N -0.100 120.187 120.400 -0.189 0.000 2.543 87 K HA 0.673 4.996 4.320 0.004 0.000 0.255 87 K C -1.783 174.753 176.600 -0.107 0.000 0.934 87 K CA -0.294 55.896 56.287 -0.162 0.000 0.810 87 K CB 2.207 34.697 32.500 -0.018 0.000 1.315 87 K HN 0.260 nan 8.250 nan 0.000 0.433 88 A N 2.087 124.838 122.820 -0.116 0.000 2.498 88 A HA 0.811 5.133 4.320 0.004 0.000 0.298 88 A C -1.617 175.960 177.584 -0.012 0.000 1.075 88 A CA -0.405 51.619 52.037 -0.023 0.000 0.714 88 A CB 1.757 20.945 19.000 0.313 0.000 1.299 88 A HN 0.647 nan 8.150 nan 0.000 0.407 89 D N -1.115 119.263 120.400 -0.036 0.000 2.671 89 D HA 0.698 5.340 4.640 0.004 0.000 0.273 89 D C -1.287 175.180 176.300 0.278 0.000 1.264 89 D CA 0.254 54.363 54.000 0.182 0.000 0.788 89 D CB 2.177 43.123 40.800 0.242 0.000 1.324 89 D HN 0.584 nan 8.370 nan 0.000 0.424 90 T N -0.169 114.569 114.554 0.306 0.000 2.916 90 T HA 0.455 4.807 4.350 0.004 0.000 0.305 90 T C -0.097 174.532 174.700 -0.118 0.000 1.119 90 T CA -0.512 61.674 62.100 0.143 0.000 1.008 90 T CB 0.857 69.796 68.868 0.118 0.000 1.129 90 T HN 0.437 nan 8.240 nan 0.000 0.480 91 N N 1.351 119.783 118.700 -0.446 0.000 2.197 91 N HA 0.265 5.007 4.740 0.004 0.000 0.201 91 N C 1.382 176.606 175.510 -0.476 0.000 1.148 91 N CA 0.813 53.539 53.050 -0.539 0.000 0.883 91 N CB 0.201 38.135 38.487 -0.923 0.000 1.012 91 N HN 1.082 nan 8.380 nan 0.000 0.507 92 G N -0.312 108.298 108.800 -0.316 0.000 2.162 92 G HA2 -0.312 3.651 3.960 0.004 0.000 0.260 92 G HA3 -0.312 3.651 3.960 0.004 0.000 0.260 92 G C -0.564 174.092 174.900 -0.406 0.000 0.976 92 G CA 0.484 45.377 45.100 -0.345 0.000 0.655 92 G HN 0.405 nan 8.290 nan 0.000 0.533 93 Y N 0.164 120.461 120.300 -0.004 0.000 2.928 93 Y HA 0.577 5.129 4.550 0.004 0.000 0.390 93 Y C 1.090 177.007 175.900 0.029 0.000 1.101 93 Y CA -0.997 57.120 58.100 0.028 0.000 1.777 93 Y CB -0.054 38.447 38.460 0.069 0.000 1.720 93 Y HN 0.370 nan 8.280 nan 0.000 0.484 94 C N 2.230 121.535 119.300 0.008 0.000 2.441 94 C HA 0.388 4.850 4.460 0.004 0.000 0.318 94 C C 0.893 175.819 174.990 -0.107 0.000 1.222 94 C CA -0.663 58.262 59.018 -0.156 0.000 1.474 94 C CB 0.354 27.685 27.740 -0.682 0.000 2.125 94 C HN 0.743 nan 8.230 nan 0.000 0.479 95 N N 2.635 121.321 118.700 -0.024 0.000 2.236 95 N HA 0.055 4.797 4.740 0.004 0.000 0.196 95 N C 0.160 175.632 175.510 -0.063 0.000 1.114 95 N CA 0.311 53.348 53.050 -0.021 0.000 0.859 95 N CB 0.160 38.665 38.487 0.030 0.000 0.982 95 N HN 0.791 nan 8.380 nan 0.000 0.493 96 T N -2.681 111.772 114.554 -0.169 0.000 2.950 96 T HA 0.414 4.766 4.350 0.004 0.000 0.288 96 T C -0.210 174.381 174.700 -0.183 0.000 1.035 96 T CA -1.032 60.964 62.100 -0.174 0.000 1.028 96 T CB 2.275 71.018 68.868 -0.209 0.000 1.109 96 T HN 0.078 nan 8.240 nan 0.000 0.514 97 R N 1.087 121.518 120.500 -0.114 0.000 2.298 97 R HA 0.555 4.897 4.340 0.004 0.000 0.310 97 R C -0.430 175.831 176.300 -0.064 0.000 1.068 97 R CA -0.457 55.588 56.100 -0.093 0.000 0.957 97 R CB 0.217 30.470 30.300 -0.079 0.000 1.003 97 R HN 0.718 nan 8.270 nan 0.000 0.454 98 V N 0.116 119.982 119.914 -0.080 0.000 3.130 98 V HA 0.488 4.610 4.120 0.004 0.000 0.310 98 V C -0.679 175.382 176.094 -0.056 0.000 1.158 98 V CA -0.958 61.299 62.300 -0.071 0.000 1.029 98 V CB 2.028 33.792 31.823 -0.098 0.000 1.057 98 V HN 0.668 nan 8.190 nan 0.000 0.436 99 S N 0.974 116.629 115.700 -0.074 0.000 2.404 99 S HA 0.407 4.879 4.470 0.004 0.000 0.309 99 S C 0.681 175.229 174.600 -0.086 0.000 1.076 99 S CA -0.278 57.880 58.200 -0.070 0.000 1.095 99 S CB 0.676 63.824 63.200 -0.087 0.000 0.972 99 S HN 0.789 nan 8.310 nan 0.000 0.484 100 V N 7.071 126.986 119.914 0.001 0.000 2.667 100 V HA -0.128 3.994 4.120 0.004 0.000 0.252 100 V C 2.593 178.702 176.094 0.025 0.000 1.065 100 V CA 1.930 64.240 62.300 0.016 0.000 1.083 100 V CB -0.761 31.183 31.823 0.202 0.000 0.692 100 V HN 0.870 nan 8.190 nan 0.000 0.468 101 R N 0.189 120.671 120.500 -0.030 0.000 2.093 101 R HA -0.087 4.256 4.340 0.004 0.000 0.224 101 R C 1.566 177.686 176.300 -0.301 0.000 1.101 101 R CA 1.682 57.516 56.100 -0.444 0.000 0.979 101 R CB -0.582 29.184 30.300 -0.890 0.000 0.877 101 R HN 0.331 nan 8.270 nan 0.000 0.441 102 D N 1.092 121.381 120.400 -0.185 0.000 2.224 102 D HA -0.002 4.640 4.640 0.004 0.000 0.205 102 D C 1.941 178.143 176.300 -0.164 0.000 0.965 102 D CA 0.846 54.772 54.000 -0.124 0.000 0.852 102 D CB 0.019 40.765 40.800 -0.090 0.000 0.947 102 D HN 0.295 nan 8.370 nan 0.000 0.494 103 I N 0.429 120.854 120.570 -0.243 0.000 2.233 103 I HA -0.205 3.968 4.170 0.004 0.000 0.243 103 I C 2.146 178.084 176.117 -0.299 0.000 1.093 103 I CA 0.978 62.073 61.300 -0.343 0.000 1.380 103 I CB -0.266 37.393 38.000 -0.569 0.000 1.067 103 I HN -0.038 nan 8.210 nan 0.000 0.413 104 T N 0.599 115.012 114.554 -0.235 0.000 2.708 104 T HA -0.227 4.125 4.350 0.004 0.000 0.266 104 T C 1.930 176.586 174.700 -0.073 0.000 1.037 104 T CA 1.317 63.384 62.100 -0.055 0.000 1.146 104 T CB -0.222 68.628 68.868 -0.031 0.000 0.865 104 T HN 0.251 nan 8.240 nan 0.000 0.435 105 K N 0.394 120.723 120.400 -0.117 0.000 2.020 105 K HA -0.148 4.174 4.320 0.004 0.000 0.212 105 K C 2.224 178.814 176.600 -0.016 0.000 1.050 105 K CA 1.562 57.819 56.287 -0.051 0.000 0.929 105 K CB -0.358 32.108 32.500 -0.056 0.000 0.714 105 K HN 0.158 nan 8.250 nan 0.000 0.443 106 I N 1.168 121.719 120.570 -0.031 0.000 2.493 106 I HA -0.175 3.997 4.170 0.004 0.000 0.254 106 I C 1.873 177.987 176.117 -0.005 0.000 1.160 106 I CA 0.906 62.239 61.300 0.054 0.000 1.445 106 I CB -0.009 38.018 38.000 0.045 0.000 1.086 106 I HN 0.228 nan 8.210 nan 0.000 0.433 107 I N -0.677 119.799 120.570 -0.157 0.000 2.202 107 I HA -0.291 3.881 4.170 0.004 0.000 0.242 107 I C 2.288 178.273 176.117 -0.220 0.000 1.091 107 I CA 1.161 62.264 61.300 -0.329 0.000 1.368 107 I CB -0.319 37.333 38.000 -0.579 0.000 1.058 107 I HN 0.124 nan 8.210 nan 0.000 0.410 108 L N 0.340 121.497 121.223 -0.109 0.000 2.042 108 L HA -0.237 4.105 4.340 0.004 0.000 0.210 108 L C 2.464 179.316 176.870 -0.031 0.000 1.076 108 L CA 1.565 56.385 54.840 -0.034 0.000 0.749 108 L CB -0.703 41.387 42.059 0.052 0.000 0.893 108 L HN 0.306 nan 8.230 nan 0.000 0.432 109 E N -0.479 119.727 120.200 0.010 0.000 2.153 109 E HA -0.246 4.106 4.350 0.004 0.000 0.194 109 E C 1.999 178.522 176.600 -0.128 0.000 0.988 109 E CA 1.163 57.600 56.400 0.061 0.000 0.811 109 E CB -0.143 29.709 29.700 0.253 0.000 0.746 109 E HN 0.387 nan 8.360 nan 0.000 0.466 110 F N 1.560 121.162 119.950 -0.580 0.000 2.113 110 F HA -0.148 4.381 4.527 0.004 0.000 0.297 110 F C 1.981 177.505 175.800 -0.461 0.000 1.103 110 F CA 1.226 58.671 58.000 -0.925 0.000 1.248 110 F CB -0.161 38.314 39.000 -0.876 0.000 0.999 110 F HN -0.117 nan 8.300 nan 0.000 0.475 111 I N 0.084 120.429 120.570 -0.374 0.000 2.208 111 I HA -0.340 3.832 4.170 0.004 0.000 0.245 111 I C 2.375 178.329 176.117 -0.272 0.000 1.097 111 I CA 1.375 62.468 61.300 -0.345 0.000 1.363 111 I CB -0.652 37.256 38.000 -0.153 0.000 1.051 111 I HN 0.197 nan 8.210 nan 0.000 0.413 112 L N 0.474 121.580 121.223 -0.195 0.000 2.131 112 L HA -0.177 4.165 4.340 0.004 0.000 0.210 112 L C 2.647 179.408 176.870 -0.182 0.000 1.092 112 L CA 1.528 56.281 54.840 -0.145 0.000 0.759 112 L CB -0.501 41.483 42.059 -0.125 0.000 0.903 112 L HN 0.370 nan 8.230 nan 0.000 0.435 113 S N -0.656 114.889 115.700 -0.258 0.000 2.561 113 S HA 0.061 4.533 4.470 0.004 0.000 0.225 113 S C 0.839 175.271 174.600 -0.281 0.000 0.977 113 S CA -0.215 57.855 58.200 -0.217 0.000 0.926 113 S CB -0.577 62.525 63.200 -0.162 0.000 0.769 113 S HN 0.234 nan 8.310 nan 0.000 0.533 114 I N 3.105 123.446 120.570 -0.382 0.000 2.533 114 I HA 0.094 4.266 4.170 0.004 0.000 0.284 114 I C 0.400 176.386 176.117 -0.219 0.000 1.109 114 I CA -0.321 60.746 61.300 -0.390 0.000 1.412 114 I CB 0.329 38.060 38.000 -0.448 0.000 1.396 114 I HN 0.140 nan 8.210 nan 0.000 0.543 115 D N 9.946 130.185 120.400 -0.269 0.000 2.434 115 D HA 0.011 4.653 4.640 0.004 0.000 0.252 115 D C -1.363 174.854 176.300 -0.138 0.000 1.185 115 D CA -1.601 52.294 54.000 -0.176 0.000 0.886 115 D CB 1.348 42.023 40.800 -0.208 0.000 1.148 115 D HN 0.277 nan 8.370 nan 0.000 0.483 116 P HA -0.135 nan 4.420 nan 0.000 0.221 116 P C 0.606 177.999 177.300 0.155 0.000 1.145 116 P CA 0.954 64.175 63.100 0.201 0.000 0.795 116 P CB 0.238 32.036 31.700 0.163 0.000 0.775 117 N N -0.946 117.796 118.700 0.071 0.000 2.348 117 N HA -0.207 4.535 4.740 0.004 0.000 0.185 117 N C 1.689 177.206 175.510 0.011 0.000 1.019 117 N CA 0.657 53.780 53.050 0.122 0.000 0.880 117 N CB -1.032 37.615 38.487 0.267 0.000 0.965 117 N HN 0.195 nan 8.380 nan 0.000 0.437 118 Y N 0.304 120.245 120.300 -0.598 0.000 2.207 118 Y HA -0.284 4.269 4.550 0.004 0.000 0.287 118 Y C 1.176 176.851 175.900 -0.374 0.000 1.156 118 Y CA 1.531 59.154 58.100 -0.794 0.000 1.182 118 Y CB -0.379 37.346 38.460 -1.226 0.000 0.979 118 Y HN 0.134 nan 8.280 nan 0.000 0.521 119 Y N -0.463 119.717 120.300 -0.200 0.000 2.516 119 Y HA -0.004 4.548 4.550 0.004 0.000 0.291 119 Y C 1.877 177.722 175.900 -0.092 0.000 1.131 119 Y CA 0.781 58.758 58.100 -0.205 0.000 1.281 119 Y CB -0.224 38.204 38.460 -0.053 0.000 1.013 119 Y HN 0.120 nan 8.280 nan 0.000 0.554 120 L N 0.348 121.647 121.223 0.127 0.000 2.567 120 L HA -0.016 4.327 4.340 0.004 0.000 0.225 120 L C 2.170 179.128 176.870 0.147 0.000 1.119 120 L CA 0.283 55.250 54.840 0.212 0.000 0.871 120 L CB -0.282 41.938 42.059 0.268 0.000 1.036 120 L HN 0.318 nan 8.230 nan 0.000 0.459 121 Q N 0.971 120.806 119.800 0.058 0.000 2.311 121 Q HA -0.075 4.267 4.340 0.004 0.000 0.203 121 Q C 0.739 176.727 176.000 -0.020 0.000 0.954 121 Q CA 0.956 56.781 55.803 0.037 0.000 0.885 121 Q CB 0.291 29.070 28.738 0.068 0.000 0.963 121 Q HN 0.214 nan 8.270 nan 0.000 0.471 122 K N 0.841 121.218 120.400 -0.039 0.000 2.762 122 K HA 0.337 4.660 4.320 0.004 0.000 0.272 122 K C -2.059 174.565 176.600 0.041 0.000 1.093 122 K CA -0.258 55.991 56.287 -0.064 0.000 1.048 122 K CB 2.088 34.443 32.500 -0.242 0.000 1.304 122 K HN -0.024 nan 8.250 nan 0.000 0.511 123 V N 3.763 123.780 119.914 0.170 0.000 2.417 123 V HA 0.295 4.417 4.120 0.004 0.000 0.291 123 V C -0.053 176.203 176.094 0.271 0.000 1.024 123 V CA -0.912 61.514 62.300 0.209 0.000 0.861 123 V CB 1.527 33.499 31.823 0.249 0.000 0.985 123 V HN 0.548 nan 8.190 nan 0.000 0.436 124 K N 7.727 128.267 120.400 0.234 0.000 2.378 124 K HA 0.242 4.564 4.320 0.004 0.000 0.288 124 K C -2.272 174.333 176.600 0.008 0.000 1.057 124 K CA -1.188 55.140 56.287 0.069 0.000 0.971 124 K CB 0.755 33.298 32.500 0.071 0.000 0.975 124 K HN 0.386 nan 8.250 nan 0.000 0.475 125 P HA -0.014 nan 4.420 nan 0.000 0.272 125 P C -0.371 176.921 177.300 -0.014 0.000 1.223 125 P CA -0.030 63.063 63.100 -0.011 0.000 0.784 125 P CB 1.267 32.943 31.700 -0.039 0.000 0.923 126 A N 2.805 125.627 122.820 0.004 0.000 1.970 126 A HA 0.055 4.377 4.320 0.004 0.000 0.216 126 A C 1.160 178.740 177.584 -0.007 0.000 1.170 126 A CA 1.009 53.044 52.037 -0.003 0.000 0.645 126 A CB -0.599 18.403 19.000 0.002 0.000 0.816 126 A HN 0.538 nan 8.150 nan 0.000 0.447 127 I N -0.063 120.505 120.570 -0.004 0.000 2.382 127 I HA 0.334 4.507 4.170 0.004 0.000 0.286 127 I C 0.085 176.199 176.117 -0.006 0.000 1.002 127 I CA -0.330 60.968 61.300 -0.004 0.000 1.135 127 I CB 1.571 39.572 38.000 0.001 0.000 1.288 127 I HN 0.113 nan 8.210 nan 0.000 0.448 128 R N 4.292 124.792 120.500 -0.001 0.000 2.445 128 R HA 0.539 4.881 4.340 0.004 0.000 0.308 128 R C -0.732 175.602 176.300 0.057 0.000 0.961 128 R CA -0.470 55.637 56.100 0.012 0.000 0.862 128 R CB 1.716 32.021 30.300 0.008 0.000 1.144 128 R HN 0.615 nan 8.270 nan 0.000 0.447 129 S N 2.695 118.421 115.700 0.043 0.000 2.580 129 S HA 0.258 4.730 4.470 0.004 0.000 0.274 129 S C -1.060 173.607 174.600 0.113 0.000 1.329 129 S CA -0.047 58.189 58.200 0.060 0.000 1.036 129 S CB 0.656 63.864 63.200 0.013 0.000 0.919 129 S HN 0.505 nan 8.310 nan 0.000 0.515 130 Y N 0.489 120.772 120.300 -0.028 0.000 2.519 130 Y HA 0.374 4.927 4.550 0.004 0.000 0.336 130 Y C -0.792 175.096 175.900 -0.019 0.000 1.089 130 Y CA -0.740 57.345 58.100 -0.025 0.000 1.025 130 Y CB 1.437 39.881 38.460 -0.026 0.000 1.318 130 Y HN 0.507 nan 8.280 nan 0.000 0.452 131 K N 4.899 125.290 120.400 -0.015 0.000 2.345 131 K HA 0.483 4.806 4.320 0.004 0.000 0.255 131 K C -1.362 175.291 176.600 0.088 0.000 0.934 131 K CA -1.071 55.239 56.287 0.039 0.000 0.801 131 K CB 2.176 34.658 32.500 -0.030 0.000 1.137 131 K HN 0.486 nan 8.250 nan 0.000 0.424 132 K N 3.335 123.809 120.400 0.124 0.000 2.244 132 K HA 0.440 4.762 4.320 0.004 0.000 0.260 132 K C -0.287 176.348 176.600 0.058 0.000 0.951 132 K CA -0.627 55.733 56.287 0.121 0.000 0.826 132 K CB 1.553 34.128 32.500 0.125 0.000 1.108 132 K HN 0.439 nan 8.250 nan 0.000 0.433 133 I N 1.945 122.543 120.570 0.046 0.000 2.342 133 I HA 0.041 4.214 4.170 0.004 0.000 0.291 133 I C 0.860 176.993 176.117 0.026 0.000 1.010 133 I CA -0.315 61.001 61.300 0.026 0.000 1.308 133 I CB 1.404 39.414 38.000 0.016 0.000 1.400 133 I HN 0.554 nan 8.210 nan 0.000 0.488 134 S N 7.221 122.932 115.700 0.019 0.000 2.592 134 S HA 0.304 4.776 4.470 0.004 0.000 0.271 134 S C -1.694 172.914 174.600 0.013 0.000 1.326 134 S CA -1.000 57.209 58.200 0.016 0.000 1.024 134 S CB 0.951 64.157 63.200 0.011 0.000 0.921 134 S HN 0.432 nan 8.310 nan 0.000 0.527 135 P HA 0.148 nan 4.420 nan 0.000 0.245 135 P C 0.653 177.957 177.300 0.007 0.000 1.212 135 P CA 0.190 63.296 63.100 0.010 0.000 0.774 135 P CB 0.126 31.831 31.700 0.009 0.000 0.999 136 E N -0.322 119.882 120.200 0.006 0.000 2.285 136 E HA 0.005 4.358 4.350 0.004 0.000 0.194 136 E C 1.682 178.285 176.600 0.004 0.000 0.997 136 E CA 0.647 57.050 56.400 0.005 0.000 0.845 136 E CB -0.284 29.419 29.700 0.004 0.000 0.782 136 E HN 0.395 nan 8.360 nan 0.000 0.491 137 L N 0.522 121.748 121.223 0.005 0.000 2.395 137 L HA 0.049 4.392 4.340 0.004 0.000 0.218 137 L C 0.951 177.823 176.870 0.003 0.000 1.130 137 L CA 0.253 55.095 54.840 0.003 0.000 0.826 137 L CB -0.001 42.060 42.059 0.003 0.000 0.941 137 L HN -0.040 nan 8.230 nan 0.000 0.451 138 I N 0.300 120.873 120.570 0.004 0.000 2.301 138 I HA 0.054 4.226 4.170 0.004 0.000 0.292 138 I C 0.771 176.889 176.117 0.003 0.000 1.046 138 I CA -0.123 61.179 61.300 0.003 0.000 1.282 138 I CB 0.956 38.958 38.000 0.004 0.000 1.409 138 I HN 0.059 nan 8.210 nan 0.000 0.484 139 S N 4.748 120.449 115.700 0.002 0.000 2.693 139 S HA 0.535 5.007 4.470 0.004 0.000 0.276 139 S C 1.282 175.883 174.600 0.002 0.000 1.192 139 S CA -0.262 57.939 58.200 0.002 0.000 0.994 139 S CB 1.778 64.979 63.200 0.001 0.000 1.012 139 S HN 0.669 nan 8.310 nan 0.000 0.550 140 A N 0.978 123.799 122.820 0.001 0.000 2.024 140 A HA 0.116 4.438 4.320 0.004 0.000 0.220 140 A C 2.211 179.796 177.584 0.001 0.000 1.164 140 A CA 1.710 53.748 52.037 0.001 0.000 0.643 140 A CB -1.541 17.460 19.000 0.001 0.000 0.806 140 A HN 1.368 nan 8.150 nan 0.000 0.451 141 A N -0.926 121.894 122.820 0.001 0.000 2.168 141 A HA 0.263 4.586 4.320 0.004 0.000 0.215 141 A C 1.515 179.100 177.584 0.001 0.000 1.152 141 A CA 1.003 53.040 52.037 0.001 0.000 0.716 141 A CB -0.242 18.758 19.000 0.000 0.000 0.794 141 A HN 0.399 nan 8.150 nan 0.000 0.465 176 Y N 3.666 123.943 120.300 -0.038 0.000 2.524 176 Y HA 0.714 5.266 4.550 0.004 0.000 0.347 176 Y C -0.597 175.252 175.900 -0.085 0.000 1.005 176 Y CA -0.705 57.367 58.100 -0.046 0.000 1.025 176 Y CB 2.100 40.536 38.460 -0.041 0.000 1.275 176 Y HN 0.419 nan 8.280 nan 0.000 0.460 177 L N 2.327 123.577 121.223 0.046 0.000 2.399 177 L HA 0.747 5.089 4.340 0.004 0.000 0.265 177 L C -0.080 176.648 176.870 -0.237 0.000 1.089 177 L CA -0.621 54.122 54.840 -0.163 0.000 0.802 177 L CB 1.439 43.374 42.059 -0.206 0.000 1.180 177 L HN 0.703 nan 8.230 nan 0.000 0.454 178 S N 0.370 115.777 115.700 -0.488 0.000 2.546 178 S HA 0.824 5.296 4.470 0.004 0.000 0.274 178 S C -1.086 173.139 174.600 -0.626 0.000 1.121 178 S CA -0.686 57.295 58.200 -0.364 0.000 0.887 178 S CB 1.594 64.708 63.200 -0.143 0.000 1.094 178 S HN 0.341 nan 8.310 nan 0.000 0.474 179 F N 0.307 120.285 119.950 0.046 0.000 2.675 179 F HA 0.818 5.347 4.527 0.003 0.000 0.324 179 F C 0.349 176.187 175.800 0.063 0.000 1.106 179 F CA -0.506 57.523 58.000 0.048 0.000 0.970 179 F CB 2.219 41.243 39.000 0.040 0.000 1.385 179 F HN 0.864 nan 8.300 nan 0.000 0.489 180 T N -1.471 113.253 114.554 0.283 0.000 2.906 180 T HA 0.766 5.118 4.350 0.004 0.000 0.295 180 T C -0.840 173.965 174.700 0.174 0.000 1.061 180 T CA -0.856 61.365 62.100 0.200 0.000 1.000 180 T CB 1.266 70.223 68.868 0.149 0.000 1.103 180 T HN 1.107 nan 8.240 nan 0.000 0.486 181 C N -0.092 119.298 119.300 0.151 0.000 3.285 181 C HA 0.954 5.416 4.460 0.004 0.000 0.320 181 C C -2.856 172.209 174.990 0.125 0.000 1.411 181 C CA -2.124 56.972 59.018 0.130 0.000 1.429 181 C CB 0.557 28.369 27.740 0.120 0.000 1.812 181 C HN 0.759 nan 8.230 nan 0.000 0.454 182 P HA 0.349 nan 4.420 nan 0.000 0.272 182 P C 0.538 177.906 177.300 0.114 0.000 1.230 182 P CA -0.213 62.953 63.100 0.110 0.000 0.788 182 P CB 0.521 32.284 31.700 0.106 0.000 0.949 183 R N 0.224 120.787 120.500 0.105 0.000 2.073 183 R HA -0.055 4.287 4.340 0.004 0.000 0.229 183 R C 0.476 176.833 176.300 0.096 0.000 1.120 183 R CA 0.980 57.139 56.100 0.098 0.000 0.967 183 R CB -0.130 30.224 30.300 0.090 0.000 0.862 183 R HN 0.492 nan 8.270 nan 0.000 0.436 184 E N 1.883 122.145 120.200 0.104 0.000 1.941 184 E HA 0.162 4.514 4.350 0.004 0.000 0.275 184 E C -0.667 176.068 176.600 0.225 0.000 1.113 184 E CA -0.163 56.322 56.400 0.142 0.000 0.878 184 E CB 0.041 29.805 29.700 0.107 0.000 1.070 184 E HN 0.227 nan 8.360 nan 0.000 0.399 185 I N 0.345 121.051 120.570 0.227 0.000 3.042 185 I HA 0.491 4.663 4.170 0.004 0.000 0.310 185 I C -0.725 175.431 176.117 0.065 0.000 1.117 185 I CA -1.844 59.593 61.300 0.229 0.000 1.003 185 I CB 1.212 39.306 38.000 0.156 0.000 1.228 185 I HN 0.205 nan 8.210 nan 0.000 0.443 186 L N 2.639 123.816 121.223 -0.078 0.000 2.559 186 L HA 0.264 4.606 4.340 0.004 0.000 0.274 186 L C -0.229 176.559 176.870 -0.137 0.000 1.205 186 L CA 1.452 56.052 54.840 -0.400 0.000 0.907 186 L CB 0.355 42.273 42.059 -0.236 0.000 1.153 186 L HN 0.773 nan 8.230 nan 0.000 0.490 187 T N 5.624 120.104 114.554 -0.122 0.000 2.807 187 T HA 0.555 4.908 4.350 0.004 0.000 0.279 187 T C -0.515 174.237 174.700 0.087 0.000 0.993 187 T CA -0.780 61.353 62.100 0.055 0.000 0.970 187 T CB 1.185 70.128 68.868 0.126 0.000 0.950 187 T HN 0.517 nan 8.240 nan 0.000 0.441 188 K N 2.287 122.743 120.400 0.093 0.000 2.375 188 K HA 0.710 5.033 4.320 0.004 0.000 0.249 188 K C -1.051 175.602 176.600 0.088 0.000 0.942 188 K CA -0.762 55.563 56.287 0.063 0.000 0.806 188 K CB 2.366 34.920 32.500 0.091 0.000 1.227 188 K HN 0.474 nan 8.250 nan 0.000 0.430 189 I N 1.814 122.405 120.570 0.034 0.000 2.466 189 I HA 0.357 4.530 4.170 0.004 0.000 0.289 189 I C -0.899 175.259 176.117 0.067 0.000 1.026 189 I CA -0.852 60.478 61.300 0.049 0.000 1.078 189 I CB 1.718 39.724 38.000 0.009 0.000 1.249 189 I HN 0.545 nan 8.210 nan 0.000 0.429 190 C N 6.820 126.194 119.300 0.123 0.000 2.455 190 C HA 0.857 5.320 4.460 0.004 0.000 0.320 190 C C -0.319 174.764 174.990 0.155 0.000 1.226 190 C CA -0.636 58.511 59.018 0.215 0.000 1.569 190 C CB 1.002 28.984 27.740 0.403 0.000 2.200 190 C HN 0.651 nan 8.230 nan 0.000 0.491 191 L N 0.073 121.374 121.223 0.129 0.000 2.469 191 L HA 0.800 5.142 4.340 0.004 0.000 0.256 191 L C -1.181 175.789 176.870 0.167 0.000 1.006 191 L CA -0.614 54.233 54.840 0.011 0.000 0.832 191 L CB 1.387 43.215 42.059 -0.385 0.000 1.421 191 L HN 0.579 nan 8.230 nan 0.000 0.410 192 F N 1.309 121.276 119.950 0.027 0.000 2.500 192 F HA 0.617 5.147 4.527 0.004 0.000 0.349 192 F C 0.139 175.937 175.800 -0.004 0.000 1.127 192 F CA -0.326 57.734 58.000 0.100 0.000 0.998 192 F CB 1.559 40.705 39.000 0.244 0.000 1.237 192 F HN 0.831 nan 8.300 nan 0.000 0.439 193 T N 3.574 118.144 114.554 0.027 0.000 2.794 193 T HA 0.452 4.804 4.350 0.004 0.000 0.296 193 T C -0.422 174.424 174.700 0.242 0.000 0.949 193 T CA -0.537 61.626 62.100 0.106 0.000 1.101 193 T CB 1.202 70.126 68.868 0.094 0.000 0.905 193 T HN 0.812 nan 8.240 nan 0.000 0.516 194 R N 3.723 124.409 120.500 0.309 0.000 2.515 194 R HA 0.438 4.781 4.340 0.004 0.000 0.278 194 R C -3.012 173.482 176.300 0.323 0.000 1.107 194 R CA -1.823 54.466 56.100 0.314 0.000 0.945 194 R CB 1.976 32.506 30.300 0.384 0.000 1.219 194 R HN 0.512 nan 8.270 nan 0.000 0.434 195 P HA 0.361 nan 4.420 nan 0.000 0.278 195 P C -1.477 175.890 177.300 0.113 0.000 1.238 195 P CA -0.311 62.906 63.100 0.195 0.000 0.794 195 P CB 1.809 33.564 31.700 0.092 0.000 0.955 196 A N 1.450 124.250 122.820 -0.032 0.000 2.606 196 A HA 0.475 4.797 4.320 0.004 0.000 0.293 196 A C 1.215 178.623 177.584 -0.295 0.000 1.082 196 A CA -0.385 51.512 52.037 -0.234 0.000 0.685 196 A CB 0.585 19.307 19.000 -0.464 0.000 1.284 196 A HN 0.329 nan 8.150 nan 0.000 0.408 197 S N -0.040 115.540 115.700 -0.201 0.000 2.374 197 S HA -0.084 4.388 4.470 0.004 0.000 0.227 197 S C 0.723 175.210 174.600 -0.189 0.000 1.037 197 S CA 2.247 60.363 58.200 -0.141 0.000 1.024 197 S CB -0.388 62.767 63.200 -0.075 0.000 0.861 197 S HN 1.097 nan 8.310 nan 0.000 0.456 198 Q N -2.124 117.484 119.800 -0.321 0.000 2.575 198 Q HA 0.553 4.895 4.340 0.004 0.000 0.290 198 Q C -0.885 174.802 176.000 -0.521 0.000 0.963 198 Q CA -0.784 54.845 55.803 -0.290 0.000 0.783 198 Q CB 0.316 29.039 28.738 -0.026 0.000 1.467 198 Q HN 0.098 nan 8.270 nan 0.000 0.402 199 Y N -0.021 120.299 120.300 0.033 0.000 2.652 199 Y HA 0.461 5.013 4.550 0.004 0.000 0.275 199 Y C 1.010 176.881 175.900 -0.048 0.000 1.133 199 Y CA -0.022 58.083 58.100 0.009 0.000 1.246 199 Y CB 0.983 39.451 38.460 0.013 0.000 1.334 199 Y HN 0.484 nan 8.280 nan 0.000 0.493 200 L N -2.050 119.162 121.223 -0.018 0.000 2.948 200 L HA 0.274 4.617 4.340 0.004 0.000 0.259 200 L C -0.983 175.588 176.870 -0.498 0.000 1.136 200 L CA 0.157 54.823 54.840 -0.291 0.000 0.959 200 L CB 0.762 42.528 42.059 -0.489 0.000 1.370 200 L HN -0.102 nan 8.230 nan 0.000 0.552 201 F N 1.370 121.302 119.950 -0.030 0.000 2.363 201 F HA 0.422 4.950 4.527 0.003 0.000 0.366 201 F C -2.366 173.512 175.800 0.131 0.000 1.083 201 F CA -2.940 54.971 58.000 -0.149 0.000 1.176 201 F CB 0.366 39.040 39.000 -0.543 0.000 1.432 201 F HN -0.306 nan 8.300 nan 0.000 0.482 202 P HA -0.010 nan 4.420 nan 0.000 0.261 202 P C 0.139 177.638 177.300 0.333 0.000 1.183 202 P CA 0.784 64.058 63.100 0.291 0.000 0.761 202 P CB 0.386 32.227 31.700 0.235 0.000 0.785 203 D N 1.098 121.623 120.400 0.209 0.000 3.041 203 D HA -0.149 4.494 4.640 0.004 0.000 0.220 203 D C 0.825 177.252 176.300 0.212 0.000 1.157 203 D CA 1.450 55.556 54.000 0.177 0.000 0.876 203 D CB -1.252 39.641 40.800 0.155 0.000 1.107 203 D HN 0.520 nan 8.370 nan 0.000 0.422 204 S N -0.912 114.927 115.700 0.230 0.000 2.481 204 S HA -0.117 4.355 4.470 0.004 0.000 0.231 204 S C 1.997 176.632 174.600 0.058 0.000 0.996 204 S CA 1.141 59.447 58.200 0.178 0.000 0.942 204 S CB 0.056 63.320 63.200 0.107 0.000 0.768 204 S HN 0.409 nan 8.310 nan 0.000 0.520 205 S N 1.755 117.485 115.700 0.050 0.000 2.442 205 S HA 0.014 4.486 4.470 0.004 0.000 0.236 205 S C 1.590 176.206 174.600 0.027 0.000 1.007 205 S CA 0.767 58.977 58.200 0.017 0.000 0.965 205 S CB -0.430 62.774 63.200 0.008 0.000 0.773 205 S HN 0.373 nan 8.310 nan 0.000 0.504 206 K N 1.847 122.283 120.400 0.059 0.000 2.442 206 K HA 0.161 4.484 4.320 0.004 0.000 0.198 206 K C 0.485 177.122 176.600 0.062 0.000 1.042 206 K CA 0.244 56.570 56.287 0.065 0.000 0.958 206 K CB -0.387 32.167 32.500 0.090 0.000 0.766 206 K HN 0.457 nan 8.250 nan 0.000 0.474 207 N N -0.192 118.531 118.700 0.039 0.000 2.411 207 N HA 0.041 4.783 4.740 0.004 0.000 0.259 207 N C -0.005 175.470 175.510 -0.059 0.000 1.103 207 N CA 0.231 53.267 53.050 -0.024 0.000 0.954 207 N CB 1.019 39.359 38.487 -0.245 0.000 1.085 207 N HN -0.141 nan 8.380 nan 0.000 0.485 208 S N 3.174 118.856 115.700 -0.030 0.000 2.442 208 S HA -0.059 4.414 4.470 0.004 0.000 0.236 208 S C 1.316 175.880 174.600 -0.061 0.000 1.007 208 S CA 0.934 59.115 58.200 -0.033 0.000 0.965 208 S CB 0.023 63.215 63.200 -0.013 0.000 0.773 208 S HN 0.636 nan 8.310 nan 0.000 0.504 209 K N 1.171 121.513 120.400 -0.097 0.000 2.366 209 K HA 0.047 4.369 4.320 0.004 0.000 0.198 209 K C 0.797 177.324 176.600 -0.122 0.000 1.044 209 K CA 0.319 56.538 56.287 -0.114 0.000 0.973 209 K CB 0.070 32.491 32.500 -0.131 0.000 0.767 209 K HN 0.204 nan 8.250 nan 0.000 0.475 210 K N 1.864 122.180 120.400 -0.140 0.000 2.412 210 K HA -0.061 4.261 4.320 0.004 0.000 0.284 210 K C -0.698 175.906 176.600 0.007 0.000 1.046 210 K CA -0.086 56.143 56.287 -0.096 0.000 0.999 210 K CB 0.322 32.752 32.500 -0.116 0.000 0.941 210 K HN -0.066 nan 8.250 nan 0.000 0.474 211 H N 5.741 124.751 119.070 -0.099 0.000 2.846 211 H HA 0.204 4.763 4.556 0.004 0.000 0.278 211 H C -0.703 174.570 175.328 -0.091 0.000 1.117 211 H CA -0.690 55.305 56.048 -0.089 0.000 1.406 211 H CB -0.237 29.469 29.762 -0.092 0.000 1.445 211 H HN 0.485 nan 8.280 nan 0.000 0.469 212 I N 6.912 127.507 120.570 0.040 0.000 2.322 212 I HA 0.065 4.238 4.170 0.004 0.000 0.292 212 I C 0.210 176.215 176.117 -0.188 0.000 1.060 212 I CA -0.315 60.932 61.300 -0.089 0.000 1.309 212 I CB 0.635 38.617 38.000 -0.030 0.000 1.415 212 I HN 0.344 nan 8.210 nan 0.000 0.492 213 L N 6.562 127.601 121.223 -0.307 0.000 2.416 213 L HA 0.130 4.472 4.340 0.004 0.000 0.272 213 L C 0.533 177.340 176.870 -0.104 0.000 1.161 213 L CA -0.431 54.237 54.840 -0.286 0.000 0.845 213 L CB 0.157 42.016 42.059 -0.333 0.000 1.119 213 L HN 0.701 nan 8.230 nan 0.000 0.464 214 N N 1.757 120.420 118.700 -0.060 0.000 2.327 214 N HA 0.090 4.832 4.740 0.004 0.000 0.257 214 N C 1.061 176.569 175.510 -0.004 0.000 1.281 214 N CA -0.017 53.022 53.050 -0.019 0.000 0.942 214 N CB 0.368 38.850 38.487 -0.008 0.000 1.199 214 N HN 0.560 nan 8.380 nan 0.000 0.532 215 G N -1.019 107.786 108.800 0.008 0.000 2.408 215 G HA2 -0.292 3.670 3.960 0.004 0.000 0.217 215 G HA3 -0.292 3.670 3.960 0.004 0.000 0.217 215 G C 1.271 176.171 174.900 -0.001 0.000 1.150 215 G CA 0.940 46.053 45.100 0.022 0.000 0.776 215 G HN 0.746 nan 8.290 nan 0.000 0.542 216 E N 0.796 120.979 120.200 -0.028 0.000 2.047 216 E HA -0.079 4.273 4.350 0.004 0.000 0.191 216 E C 2.327 178.898 176.600 -0.047 0.000 0.987 216 E CA 1.404 57.766 56.400 -0.062 0.000 0.799 216 E CB -0.242 29.420 29.700 -0.064 0.000 0.752 216 E HN 0.568 nan 8.360 nan 0.000 0.449 217 E N -0.185 120.003 120.200 -0.020 0.000 2.118 217 E HA -0.153 4.199 4.350 0.004 0.000 0.195 217 E C 0.761 177.391 176.600 0.049 0.000 0.992 217 E CA 0.374 56.774 56.400 0.000 0.000 0.804 217 E CB -0.159 29.518 29.700 -0.039 0.000 0.741 217 E HN 0.180 nan 8.360 nan 0.000 0.458 221 W N 1.119 122.427 121.300 0.014 0.000 2.441 221 W HA -0.011 4.651 4.660 0.004 0.000 0.302 221 W C 1.189 177.671 176.519 -0.063 0.000 1.191 221 W CA 1.340 58.636 57.345 -0.082 0.000 1.327 221 W CB -0.071 29.270 29.460 -0.198 0.000 1.128 221 W HN 0.157 nan 8.180 nan 0.000 0.522 222 W N 0.300 121.780 121.300 0.300 0.000 2.467 222 W HA 0.049 4.711 4.660 0.003 0.000 0.275 222 W C 2.544 179.125 176.519 0.103 0.000 1.239 222 W CA 1.409 58.844 57.345 0.149 0.000 1.266 222 W CB -0.829 28.756 29.460 0.209 0.000 1.112 222 W HN -0.018 nan 8.180 nan 0.000 0.576 223 G N 0.108 109.104 108.800 0.327 0.000 2.421 223 G HA2 -0.340 3.623 3.960 0.004 0.000 0.216 223 G HA3 -0.340 3.623 3.960 0.004 0.000 0.216 223 G C 1.330 176.320 174.900 0.151 0.000 1.171 223 G CA 0.945 46.172 45.100 0.211 0.000 0.775 223 G HN 0.301 nan 8.290 nan 0.000 0.543 224 F N 1.363 121.307 119.950 -0.009 0.000 2.095 224 F HA -0.065 4.464 4.527 0.004 0.000 0.298 224 F C 2.481 178.227 175.800 -0.090 0.000 1.104 224 F CA 1.412 59.366 58.000 -0.076 0.000 1.232 224 F CB -0.100 38.809 39.000 -0.151 0.000 0.987 224 F HN 0.104 nan 8.300 nan 0.000 0.475 225 I N 0.279 120.884 120.570 0.059 0.000 2.113 225 I HA -0.349 3.823 4.170 0.004 0.000 0.238 225 I C 2.407 178.537 176.117 0.021 0.000 1.070 225 I CA 1.494 62.771 61.300 -0.038 0.000 1.332 225 I CB -0.721 37.159 38.000 -0.200 0.000 1.044 225 I HN 0.201 nan 8.210 nan 0.000 0.402 226 L N 0.185 121.506 121.223 0.163 0.000 2.083 226 L HA -0.251 4.091 4.340 0.004 0.000 0.209 226 L C 2.247 179.208 176.870 0.152 0.000 1.083 226 L CA 1.565 56.517 54.840 0.187 0.000 0.752 226 L CB -0.780 41.468 42.059 0.314 0.000 0.899 226 L HN 0.309 nan 8.230 nan 0.000 0.433 227 D N -0.037 120.497 120.400 0.224 0.000 2.123 227 D HA -0.185 4.458 4.640 0.004 0.000 0.196 227 D C 2.326 178.615 176.300 -0.018 0.000 0.992 227 D CA 1.127 55.252 54.000 0.208 0.000 0.833 227 D CB 0.182 41.040 40.800 0.096 0.000 0.954 227 D HN -0.011 nan 8.370 nan 0.000 0.455 228 R N -0.060 120.326 120.500 -0.189 0.000 2.092 228 R HA -0.007 4.335 4.340 0.004 0.000 0.231 228 R C 2.510 178.775 176.300 -0.058 0.000 1.119 228 R CA 0.375 56.358 56.100 -0.196 0.000 0.970 228 R CB -0.986 29.119 30.300 -0.325 0.000 0.864 228 R HN 0.363 nan 8.270 nan 0.000 0.440 229 L N 0.437 121.653 121.223 -0.013 0.000 2.046 229 L HA -0.168 4.174 4.340 0.004 0.000 0.208 229 L C 2.419 179.373 176.870 0.140 0.000 1.077 229 L CA 1.107 55.995 54.840 0.081 0.000 0.747 229 L CB -0.490 41.644 42.059 0.124 0.000 0.896 229 L HN 0.110 nan 8.230 nan 0.000 0.432 230 L N -0.421 120.779 121.223 -0.038 0.000 2.012 230 L HA -0.266 4.076 4.340 0.004 0.000 0.210 230 L C 2.444 179.302 176.870 -0.019 0.000 1.073 230 L CA 1.544 56.255 54.840 -0.215 0.000 0.748 230 L CB -0.386 41.198 42.059 -0.791 0.000 0.891 230 L HN 0.184 nan 8.230 nan 0.000 0.431 231 I N -0.739 119.854 120.570 0.038 0.000 2.394 231 I HA -0.243 3.930 4.170 0.004 0.000 0.251 231 I C 2.168 178.323 176.117 0.064 0.000 1.136 231 I CA 1.350 62.708 61.300 0.096 0.000 1.425 231 I CB -0.129 37.909 38.000 0.063 0.000 1.079 231 I HN 0.304 nan 8.210 nan 0.000 0.425 232 E N -0.970 119.256 120.200 0.044 0.000 2.307 232 E HA 0.018 4.371 4.350 0.004 0.000 0.195 232 E C 1.578 178.187 176.600 0.016 0.000 0.975 232 E CA 0.516 56.930 56.400 0.024 0.000 0.878 232 E CB 0.360 30.065 29.700 0.007 0.000 0.845 232 E HN 0.473 nan 8.360 nan 0.000 0.488 233 C N -0.257 119.063 119.300 0.033 0.000 3.724 233 C HA 0.354 4.816 4.460 0.004 0.000 0.327 233 C C 0.053 174.872 174.990 -0.285 0.000 1.490 233 C CA -0.603 58.352 59.018 -0.106 0.000 1.825 233 C CB -0.283 27.365 27.740 -0.152 0.000 2.613 233 C HN 0.093 nan 8.230 nan 0.000 0.692 234 F N 1.296 121.213 119.950 -0.056 0.000 2.538 234 F HA 0.449 4.979 4.527 0.004 0.000 0.325 234 F C 0.547 176.346 175.800 -0.001 0.000 1.066 234 F CA -0.497 57.468 58.000 -0.059 0.000 0.946 234 F CB 0.814 39.712 39.000 -0.170 0.000 1.199 234 F HN 0.001 nan 8.300 nan 0.000 0.473 235 Q N 1.024 120.961 119.800 0.228 0.000 2.454 235 Q HA 0.079 4.422 4.340 0.004 0.000 0.247 235 Q C 0.422 176.560 176.000 0.231 0.000 1.028 235 Q CA -0.290 55.625 55.803 0.187 0.000 0.910 235 Q CB 0.488 29.331 28.738 0.174 0.000 1.276 235 Q HN 0.490 nan 8.270 nan 0.000 0.489 236 N N 1.378 120.194 118.700 0.193 0.000 2.571 236 N HA -0.093 4.649 4.740 0.004 0.000 0.189 236 N C -0.194 175.416 175.510 0.166 0.000 1.154 236 N CA 0.607 53.779 53.050 0.204 0.000 0.907 236 N CB 0.109 38.654 38.487 0.096 0.000 0.977 236 N HN 0.503 nan 8.380 nan 0.000 0.449 237 D N -1.464 119.034 120.400 0.163 0.000 2.559 237 D HA 0.048 4.690 4.640 0.004 0.000 0.234 237 D C -0.308 176.073 176.300 0.135 0.000 1.226 237 D CA -0.263 53.811 54.000 0.124 0.000 0.830 237 D CB -0.560 40.300 40.800 0.100 0.000 1.028 237 D HN -0.262 nan 8.370 nan 0.000 0.492 238 T N 0.668 115.322 114.554 0.167 0.000 2.856 238 T HA 0.163 4.516 4.350 0.004 0.000 0.292 238 T C 0.004 174.685 174.700 -0.031 0.000 0.980 238 T CA -0.429 61.691 62.100 0.033 0.000 1.091 238 T CB 1.788 70.596 68.868 -0.101 0.000 0.936 238 T HN 0.109 nan 8.240 nan 0.000 0.503 239 Q N 1.429 121.158 119.800 -0.118 0.000 2.313 239 Q HA 0.484 4.826 4.340 0.004 0.000 0.266 239 Q C -0.847 174.942 176.000 -0.350 0.000 0.989 239 Q CA -0.432 55.272 55.803 -0.164 0.000 0.890 239 Q CB 0.431 29.091 28.738 -0.131 0.000 1.200 239 Q HN 0.805 nan 8.270 nan 0.000 0.396 240 A N 4.799 127.378 122.820 -0.402 0.000 2.385 240 A HA 0.568 4.890 4.320 0.004 0.000 0.290 240 A C -1.371 175.938 177.584 -0.458 0.000 1.094 240 A CA -0.828 50.739 52.037 -0.783 0.000 0.729 240 A CB 1.133 19.281 19.000 -1.421 0.000 1.194 240 A HN 0.550 nan 8.150 nan 0.000 0.442 241 K N 1.547 121.794 120.400 -0.254 0.000 2.378 241 K HA 0.668 4.990 4.320 0.004 0.000 0.252 241 K C -1.734 174.988 176.600 0.203 0.000 0.931 241 K CA -0.589 55.704 56.287 0.010 0.000 0.794 241 K CB 2.506 34.940 32.500 -0.111 0.000 1.181 241 K HN 0.658 nan 8.250 nan 0.000 0.425 242 L N 2.690 124.041 121.223 0.214 0.000 2.409 242 L HA 0.540 4.882 4.340 0.004 0.000 0.272 242 L C -1.012 175.828 176.870 -0.049 0.000 0.980 242 L CA -0.365 54.545 54.840 0.118 0.000 0.826 242 L CB 1.387 43.544 42.059 0.163 0.000 1.268 242 L HN 0.670 nan 8.230 nan 0.000 0.407 243 R N 4.609 125.008 120.500 -0.168 0.000 2.686 243 R HA 0.702 5.044 4.340 0.004 0.000 0.283 243 R C -1.600 174.540 176.300 -0.267 0.000 0.978 243 R CA -0.858 55.084 56.100 -0.263 0.000 0.897 243 R CB 1.661 31.682 30.300 -0.465 0.000 1.192 243 R HN 0.646 nan 8.270 nan 0.000 0.457 244 I N 3.171 123.614 120.570 -0.211 0.000 2.428 244 I HA 0.301 4.473 4.170 0.004 0.000 0.279 244 I C -2.240 173.788 176.117 -0.149 0.000 1.040 244 I CA -2.564 58.632 61.300 -0.173 0.000 1.171 244 I CB 1.798 39.724 38.000 -0.123 0.000 1.312 244 I HN 0.369 nan 8.210 nan 0.000 0.470 245 P HA 0.115 nan 4.420 nan 0.000 0.268 245 P C 1.010 178.324 177.300 0.025 0.000 1.205 245 P CA 0.497 63.580 63.100 -0.029 0.000 0.771 245 P CB 0.816 32.613 31.700 0.162 0.000 0.858 246 G N 1.163 110.001 108.800 0.064 0.000 2.212 246 G HA2 -0.295 3.667 3.960 0.004 0.000 0.266 246 G HA3 -0.295 3.667 3.960 0.004 0.000 0.266 246 G C 0.185 175.093 174.900 0.014 0.000 0.978 246 G CA 0.156 45.287 45.100 0.051 0.000 0.632 246 G HN 0.633 nan 8.290 nan 0.000 0.537 247 E N 0.854 121.045 120.200 -0.014 0.000 2.231 247 E HA 0.374 4.726 4.350 0.004 0.000 0.277 247 E C -0.311 176.278 176.600 -0.018 0.000 0.999 247 E CA -0.795 55.591 56.400 -0.023 0.000 0.827 247 E CB 0.580 30.254 29.700 -0.043 0.000 1.101 247 E HN 0.161 nan 8.360 nan 0.000 0.393 248 D N 4.605 125.001 120.400 -0.007 0.000 2.493 248 D HA -0.031 4.611 4.640 0.004 0.000 0.240 248 D C -1.500 174.791 176.300 -0.015 0.000 1.142 248 D CA -1.140 52.858 54.000 -0.004 0.000 0.872 248 D CB 1.150 41.952 40.800 0.003 0.000 1.173 248 D HN 0.313 nan 8.370 nan 0.000 0.467 249 P HA -0.017 nan 4.420 nan 0.000 0.244 249 P C 0.633 177.927 177.300 -0.009 0.000 1.211 249 P CA 0.249 63.336 63.100 -0.022 0.000 0.760 249 P CB 0.137 31.824 31.700 -0.022 0.000 0.961 250 A N 0.917 123.734 122.820 -0.005 0.000 1.929 250 A HA -0.091 4.231 4.320 0.004 0.000 0.216 250 A C 2.346 179.932 177.584 0.003 0.000 1.176 250 A CA 0.839 52.876 52.037 0.000 0.000 0.628 250 A CB -0.639 18.362 19.000 0.001 0.000 0.816 250 A HN 0.112 nan 8.150 nan 0.000 0.444 251 R N -0.536 119.964 120.500 0.000 0.000 2.161 251 R HA 0.022 4.365 4.340 0.004 0.000 0.213 251 R C 1.897 178.212 176.300 0.025 0.000 1.055 251 R CA 1.038 57.142 56.100 0.007 0.000 0.996 251 R CB -0.351 29.945 30.300 -0.006 0.000 0.901 251 R HN 0.395 nan 8.270 nan 0.000 0.456 252 V N 1.199 121.121 119.914 0.014 0.000 2.287 252 V HA -0.271 3.851 4.120 0.004 0.000 0.248 252 V C 2.431 178.555 176.094 0.050 0.000 1.053 252 V CA 1.809 64.131 62.300 0.037 0.000 1.027 252 V CB -0.612 31.212 31.823 0.001 0.000 0.646 252 V HN 0.289 nan 8.190 nan 0.000 0.447 253 R N 0.054 120.566 120.500 0.021 0.000 2.120 253 R HA -0.150 4.193 4.340 0.004 0.000 0.234 253 R C 2.517 178.814 176.300 -0.004 0.000 1.123 253 R CA 1.730 57.834 56.100 0.007 0.000 0.975 253 R CB -0.221 30.081 30.300 0.004 0.000 0.866 253 R HN 0.567 nan 8.270 nan 0.000 0.446 254 S N 0.011 115.720 115.700 0.014 0.000 2.348 254 S HA -0.200 4.272 4.470 0.004 0.000 0.221 254 S C 1.502 176.112 174.600 0.017 0.000 1.033 254 S CA 1.402 59.610 58.200 0.014 0.000 1.010 254 S CB -0.608 62.608 63.200 0.027 0.000 0.891 254 S HN 0.474 nan 8.310 nan 0.000 0.442 255 Y N 2.469 122.728 120.300 -0.069 0.000 2.114 255 Y HA -0.121 4.432 4.550 0.004 0.000 0.282 255 Y C 1.836 177.653 175.900 -0.138 0.000 1.165 255 Y CA 1.288 59.331 58.100 -0.096 0.000 1.148 255 Y CB -0.659 37.738 38.460 -0.105 0.000 0.972 255 Y HN 0.147 nan 8.280 nan 0.000 0.504 256 L N 0.157 121.146 121.223 -0.390 0.000 2.353 256 L HA -0.188 4.155 4.340 0.004 0.000 0.220 256 L C 2.389 179.055 176.870 -0.339 0.000 1.133 256 L CA 1.050 55.588 54.840 -0.503 0.000 0.798 256 L CB -0.467 41.462 42.059 -0.217 0.000 0.922 256 L HN 0.217 nan 8.230 nan 0.000 0.445 257 R N 0.018 120.388 120.500 -0.217 0.000 2.237 257 R HA -0.007 4.336 4.340 0.004 0.000 0.219 257 R C 1.168 177.378 176.300 -0.150 0.000 1.080 257 R CA 0.588 56.608 56.100 -0.134 0.000 0.995 257 R CB -0.250 30.003 30.300 -0.078 0.000 0.875 257 R HN 0.329 nan 8.270 nan 0.000 0.462 261 Y N 5.266 125.632 120.300 0.110 0.000 2.544 261 Y HA 0.083 4.636 4.550 0.004 0.000 0.330 261 Y C -1.825 174.151 175.900 0.127 0.000 1.136 261 Y CA -1.706 56.453 58.100 0.099 0.000 1.417 261 Y CB 0.931 39.435 38.460 0.075 0.000 1.229 261 Y HN -0.002 nan 8.280 nan 0.000 0.532 262 P HA -0.015 nan 4.420 nan 0.000 0.241 262 P C 0.074 177.178 177.300 -0.327 0.000 1.191 262 P CA 1.077 63.972 63.100 -0.341 0.000 0.771 262 P CB 0.336 31.860 31.700 -0.292 0.000 0.929 263 L N -1.951 118.938 121.223 -0.556 0.000 3.218 263 L HA 0.318 4.660 4.340 0.004 0.000 0.279 263 L C -0.067 176.799 176.870 -0.007 0.000 1.287 263 L CA -0.721 53.975 54.840 -0.239 0.000 1.024 263 L CB -0.222 41.691 42.059 -0.244 0.000 1.409 263 L HN -0.124 nan 8.230 nan 0.000 0.580 264 W N 1.622 122.932 121.300 0.017 0.000 2.210 264 W HA 0.238 4.900 4.660 0.004 0.000 0.330 264 W C 0.494 177.004 176.519 -0.016 0.000 1.334 264 W CA 0.452 57.817 57.345 0.033 0.000 1.227 264 W CB 0.509 29.969 29.460 0.001 0.000 1.178 264 W HN 0.167 nan 8.180 nan 0.000 0.560 265 Q N 1.101 121.036 119.800 0.225 0.000 2.423 265 Q HA 0.429 4.771 4.340 0.004 0.000 0.278 265 Q C -1.034 175.034 176.000 0.114 0.000 1.097 265 Q CA -1.208 54.664 55.803 0.116 0.000 0.809 265 Q CB 2.513 31.275 28.738 0.039 0.000 1.391 265 Q HN 0.126 nan 8.270 nan 0.000 0.428 266 V N 1.625 121.574 119.914 0.057 0.000 2.572 266 V HA 0.556 4.678 4.120 0.004 0.000 0.291 266 V C 0.786 176.860 176.094 -0.033 0.000 1.039 266 V CA 1.317 63.625 62.300 0.014 0.000 1.055 266 V CB 0.204 32.023 31.823 -0.007 0.000 0.969 266 V HN 1.016 nan 8.190 nan 0.000 0.482 267 G N 4.804 113.551 108.800 -0.088 0.000 2.247 267 G HA2 0.210 4.173 3.960 0.004 0.000 0.229 267 G HA3 0.210 4.173 3.960 0.004 0.000 0.229 267 G C -1.383 173.379 174.900 -0.230 0.000 1.345 267 G CA -0.062 44.946 45.100 -0.154 0.000 1.100 267 G HN 1.019 nan 8.290 nan 0.000 0.473 268 D N -1.675 118.567 120.400 -0.263 0.000 2.579 268 D HA 0.558 5.200 4.640 0.004 0.000 0.257 268 D C 1.098 177.178 176.300 -0.368 0.000 1.176 268 D CA -0.271 53.458 54.000 -0.452 0.000 0.914 268 D CB 1.006 41.311 40.800 -0.826 0.000 1.431 268 D HN 1.168 nan 8.370 nan 0.000 0.454 269 I N -2.248 118.060 120.570 -0.436 0.000 3.749 269 I HA 0.306 4.478 4.170 0.004 0.000 0.314 269 I C -0.578 175.570 176.117 0.051 0.000 1.267 269 I CA -0.430 60.779 61.300 -0.153 0.000 1.169 269 I CB -0.642 37.322 38.000 -0.059 0.000 1.009 269 I HN 0.065 nan 8.210 nan 0.000 0.444 270 F N 1.986 121.986 119.950 0.084 0.000 2.371 270 F HA 0.369 4.898 4.527 0.004 0.000 0.329 270 F C 1.629 177.463 175.800 0.058 0.000 1.107 270 F CA -1.135 56.911 58.000 0.077 0.000 1.137 270 F CB 0.913 39.977 39.000 0.107 0.000 1.214 270 F HN 0.051 nan 8.300 nan 0.000 0.536 271 T N -1.747 112.953 114.554 0.244 0.000 2.753 271 T HA 0.222 4.574 4.350 0.004 0.000 0.309 271 T C 0.482 175.258 174.700 0.128 0.000 1.043 271 T CA -0.230 61.950 62.100 0.133 0.000 0.964 271 T CB 1.077 69.993 68.868 0.080 0.000 1.206 271 T HN 0.643 nan 8.240 nan 0.000 0.528 272 S N -1.818 113.933 115.700 0.084 0.000 2.901 272 S HA 0.287 4.759 4.470 0.004 0.000 0.248 272 S C -0.094 174.540 174.600 0.056 0.000 1.021 272 S CA -1.009 57.239 58.200 0.080 0.000 1.090 272 S CB -0.413 62.833 63.200 0.077 0.000 1.039 272 S HN 0.674 nan 8.310 nan 0.000 0.514 273 K N 1.899 122.327 120.400 0.047 0.000 2.336 273 K HA 0.135 4.457 4.320 0.004 0.000 0.262 273 K C 0.069 176.691 176.600 0.038 0.000 0.992 273 K CA -0.126 56.173 56.287 0.019 0.000 0.927 273 K CB 0.088 32.586 32.500 -0.003 0.000 0.956 273 K HN 0.188 nan 8.250 nan 0.000 0.495 274 E N 1.796 121.995 120.200 -0.000 0.000 2.539 274 E HA -0.281 4.072 4.350 0.004 0.000 0.253 274 E C -0.609 176.029 176.600 0.064 0.000 1.145 274 E CA 0.872 57.284 56.400 0.020 0.000 0.738 274 E CB -1.519 28.217 29.700 0.060 0.000 1.308 274 E HN 0.881 nan 8.360 nan 0.000 0.409 275 N N -2.623 116.107 118.700 0.050 0.000 2.974 275 N HA -0.158 4.585 4.740 0.004 0.000 0.191 275 N C -0.185 175.360 175.510 0.058 0.000 0.960 275 N CA 0.906 53.987 53.050 0.053 0.000 1.054 275 N CB -1.371 37.154 38.487 0.063 0.000 1.002 275 N HN 0.182 nan 8.380 nan 0.000 0.549 276 S N -0.217 115.522 115.700 0.065 0.000 3.641 276 S HA -0.209 4.263 4.470 0.004 0.000 0.346 276 S C 0.006 174.635 174.600 0.049 0.000 1.074 276 S CA 0.445 58.686 58.200 0.068 0.000 1.026 276 S CB -0.906 62.341 63.200 0.078 0.000 0.908 276 S HN 0.366 nan 8.310 nan 0.000 0.479 277 L N 0.962 122.219 121.223 0.058 0.000 2.499 277 L HA 0.280 4.623 4.340 0.004 0.000 0.273 277 L C 1.530 178.341 176.870 -0.097 0.000 1.195 277 L CA 1.250 56.086 54.840 -0.006 0.000 0.882 277 L CB -0.031 42.048 42.059 0.034 0.000 1.133 277 L HN 0.376 nan 8.230 nan 0.000 0.483 278 A N 4.270 126.970 122.820 -0.200 0.000 1.933 278 A HA -0.122 4.201 4.320 0.004 0.000 0.218 278 A C 2.132 179.427 177.584 -0.482 0.000 1.175 278 A CA 1.691 53.488 52.037 -0.399 0.000 0.628 278 A CB -0.592 18.056 19.000 -0.587 0.000 0.814 278 A HN 0.609 nan 8.150 nan 0.000 0.444 279 V N -1.279 118.354 119.914 -0.468 0.000 2.490 279 V HA -0.213 3.910 4.120 0.004 0.000 0.250 279 V C 1.797 177.594 176.094 -0.495 0.000 1.061 279 V CA 1.736 63.713 62.300 -0.538 0.000 1.064 279 V CB -0.690 30.738 31.823 -0.659 0.000 0.670 279 V HN 0.673 nan 8.190 nan 0.000 0.461 280 Y N 0.154 120.339 120.300 -0.191 0.000 2.461 280 Y HA 0.294 4.846 4.550 0.004 0.000 0.277 280 Y C 1.934 177.742 175.900 -0.155 0.000 1.182 280 Y CA -0.045 57.967 58.100 -0.148 0.000 1.276 280 Y CB -0.120 38.282 38.460 -0.096 0.000 1.087 280 Y HN 0.386 nan 8.280 nan 0.000 0.519 281 N N -1.172 117.453 118.700 -0.124 0.000 2.249 281 N HA 0.095 4.837 4.740 0.004 0.000 0.239 281 N C -0.091 175.179 175.510 -0.399 0.000 1.185 281 N CA 0.171 53.132 53.050 -0.148 0.000 0.825 281 N CB 1.122 39.586 38.487 -0.037 0.000 1.372 281 N HN -0.029 nan 8.380 nan 0.000 0.472 282 I N 5.362 125.593 120.570 -0.566 0.000 2.517 282 I HA 0.129 4.301 4.170 0.004 0.000 0.285 282 I C -2.032 173.645 176.117 -0.733 0.000 1.106 282 I CA -1.433 59.376 61.300 -0.819 0.000 1.402 282 I CB 0.098 37.570 38.000 -0.881 0.000 1.399 282 I HN -0.125 nan 8.210 nan 0.000 0.535 283 P HA 0.234 nan 4.420 nan 0.000 0.275 283 P C -0.867 175.803 177.300 -1.050 0.000 1.227 283 P CA -0.357 62.167 63.100 -0.960 0.000 0.781 283 P CB 1.051 32.081 31.700 -1.116 0.000 0.906 284 L N 3.747 124.414 121.223 -0.927 0.000 2.313 284 L HA 0.404 4.746 4.340 0.004 0.000 0.273 284 L C -0.136 176.385 176.870 -0.582 0.000 1.028 284 L CA -0.576 53.905 54.840 -0.599 0.000 0.871 284 L CB -0.080 41.773 42.059 -0.343 0.000 1.242 284 L HN 0.210 nan 8.230 nan 0.000 0.434 285 F N 2.580 122.287 119.950 -0.405 0.000 2.483 285 F HA 0.557 5.086 4.527 0.003 0.000 0.329 285 F C -1.891 173.694 175.800 -0.357 0.000 1.064 285 F CA -3.169 54.457 58.000 -0.624 0.000 0.986 285 F CB 0.480 38.628 39.000 -1.421 0.000 1.218 285 F HN 0.225 nan 8.300 nan 0.000 0.484 286 P HA 0.069 nan 4.420 nan 0.000 0.263 286 P C -0.191 177.195 177.300 0.143 0.000 1.195 286 P CA 0.634 63.730 63.100 -0.007 0.000 0.762 286 P CB 0.269 31.884 31.700 -0.143 0.000 0.799 287 D N 0.237 120.699 120.400 0.102 0.000 3.041 287 D HA -0.186 4.456 4.640 0.004 0.000 0.220 287 D C -0.261 176.119 176.300 0.133 0.000 1.157 287 D CA 1.181 55.257 54.000 0.127 0.000 0.876 287 D CB -1.133 39.778 40.800 0.184 0.000 1.107 287 D HN 0.492 nan 8.370 nan 0.000 0.422 288 D N -1.205 119.257 120.400 0.104 0.000 2.177 288 D HA 0.327 4.969 4.640 0.004 0.000 0.247 288 D C -1.511 174.758 176.300 -0.051 0.000 1.063 288 D CA -1.814 52.238 54.000 0.087 0.000 0.867 288 D CB 1.457 42.344 40.800 0.146 0.000 1.168 288 D HN -0.194 nan 8.370 nan 0.000 0.445 289 P HA -0.150 nan 4.420 nan 0.000 0.216 289 P C 0.669 177.917 177.300 -0.086 0.000 1.150 289 P CA 1.385 64.303 63.100 -0.303 0.000 0.837 289 P CB 0.227 31.447 31.700 -0.800 0.000 0.786 290 K N -0.376 120.028 120.400 0.006 0.000 2.026 290 K HA -0.105 4.218 4.320 0.004 0.000 0.208 290 K C 2.200 178.919 176.600 0.197 0.000 1.048 290 K CA 1.648 58.104 56.287 0.282 0.000 0.929 290 K CB -0.769 31.908 32.500 0.295 0.000 0.713 290 K HN 0.040 nan 8.250 nan 0.000 0.439 291 A N 1.542 124.382 122.820 0.033 0.000 1.902 291 A HA -0.179 4.143 4.320 0.004 0.000 0.217 291 A C 2.125 179.732 177.584 0.039 0.000 1.181 291 A CA 1.401 53.421 52.037 -0.027 0.000 0.623 291 A CB -0.480 18.465 19.000 -0.091 0.000 0.818 291 A HN 0.224 nan 8.150 nan 0.000 0.443 292 R N -1.881 118.658 120.500 0.065 0.000 2.091 292 R HA -0.172 4.170 4.340 0.004 0.000 0.238 292 R C 1.896 178.297 176.300 0.169 0.000 1.136 292 R CA 1.899 58.060 56.100 0.103 0.000 0.959 292 R CB -0.385 29.961 30.300 0.076 0.000 0.856 292 R HN 0.502 nan 8.270 nan 0.000 0.437 293 F N 0.952 120.910 119.950 0.013 0.000 2.234 293 F HA -0.062 4.467 4.527 0.003 0.000 0.296 293 F C 1.941 177.770 175.800 0.049 0.000 1.089 293 F CA 0.681 58.676 58.000 -0.009 0.000 1.343 293 F CB -0.090 38.832 39.000 -0.131 0.000 1.040 293 F HN -0.053 nan 8.300 nan 0.000 0.498 294 I N 0.051 120.648 120.570 0.045 0.000 2.208 294 I HA -0.351 3.821 4.170 0.004 0.000 0.245 294 I C 2.629 178.657 176.117 -0.148 0.000 1.097 294 I CA 1.877 63.114 61.300 -0.105 0.000 1.363 294 I CB -1.539 36.392 38.000 -0.113 0.000 1.051 294 I HN 0.322 nan 8.210 nan 0.000 0.413 295 H N 0.869 119.851 119.070 -0.147 0.000 2.353 295 H HA -0.210 4.348 4.556 0.004 0.000 0.300 295 H C 2.253 177.495 175.328 -0.143 0.000 1.090 295 H CA 1.886 57.853 56.048 -0.136 0.000 1.327 295 H CB 0.258 29.965 29.762 -0.092 0.000 1.383 295 H HN 0.388 nan 8.280 nan 0.000 0.508 296 Q N 0.407 120.069 119.800 -0.231 0.000 2.096 296 Q HA -0.136 4.207 4.340 0.004 0.000 0.204 296 Q C 2.644 178.430 176.000 -0.356 0.000 0.982 296 Q CA 1.597 57.239 55.803 -0.268 0.000 0.850 296 Q CB 0.073 28.746 28.738 -0.108 0.000 0.901 296 Q HN 0.486 nan 8.270 nan 0.000 0.422 297 L N -0.290 120.650 121.223 -0.472 0.000 2.093 297 L HA -0.133 4.209 4.340 0.004 0.000 0.208 297 L C 2.516 179.208 176.870 -0.297 0.000 1.085 297 L CA 0.843 55.429 54.840 -0.423 0.000 0.755 297 L CB -0.594 41.166 42.059 -0.499 0.000 0.904 297 L HN 0.268 nan 8.230 nan 0.000 0.435 298 A N -0.001 122.642 122.820 -0.293 0.000 1.908 298 A HA -0.265 4.057 4.320 0.004 0.000 0.218 298 A C 2.167 179.607 177.584 -0.241 0.000 1.181 298 A CA 1.901 53.793 52.037 -0.242 0.000 0.627 298 A CB -0.511 18.363 19.000 -0.209 0.000 0.818 298 A HN 0.438 nan 8.150 nan 0.000 0.445 299 E N -0.708 119.300 120.200 -0.321 0.000 2.333 299 E HA -0.146 4.207 4.350 0.004 0.000 0.198 299 E C 1.225 177.722 176.600 -0.172 0.000 1.007 299 E CA 1.140 57.385 56.400 -0.259 0.000 0.845 299 E CB -0.006 29.508 29.700 -0.310 0.000 0.766 299 E HN 0.775 nan 8.360 nan 0.000 0.507 300 E N -0.044 120.054 120.200 -0.170 0.000 2.526 300 E HA 0.014 4.366 4.350 0.004 0.000 0.208 300 E C -0.773 175.761 176.600 -0.110 0.000 0.997 300 E CA 0.011 56.336 56.400 -0.124 0.000 0.961 300 E CB 0.734 30.363 29.700 -0.118 0.000 1.030 300 E HN 0.094 nan 8.360 nan 0.000 0.483 301 D N 0.859 121.184 120.400 -0.124 0.000 2.718 301 D HA -0.197 4.445 4.640 0.004 0.000 0.242 301 D C 0.217 176.456 176.300 -0.102 0.000 1.123 301 D CA 0.512 54.449 54.000 -0.105 0.000 0.690 301 D CB -0.965 39.789 40.800 -0.077 0.000 1.059 301 D HN 0.309 nan 8.370 nan 0.000 0.429 302 R N -0.401 120.021 120.500 -0.130 0.000 2.566 302 R HA 0.226 4.568 4.340 0.004 0.000 0.388 302 R C 1.901 178.117 176.300 -0.140 0.000 0.989 302 R CA -0.275 55.754 56.100 -0.119 0.000 1.164 302 R CB 0.501 30.731 30.300 -0.117 0.000 1.459 302 R HN 0.128 nan 8.270 nan 0.000 0.553 303 L N 0.584 121.704 121.223 -0.172 0.000 2.465 303 L HA -0.006 4.337 4.340 0.004 0.000 0.224 303 L C 1.467 178.213 176.870 -0.207 0.000 1.145 303 L CA 0.990 55.697 54.840 -0.221 0.000 0.834 303 L CB -0.010 41.887 42.059 -0.270 0.000 0.944 303 L HN 0.203 nan 8.230 nan 0.000 0.451 304 L N -0.806 120.340 121.223 -0.129 0.000 2.607 304 L HA 0.051 4.393 4.340 0.004 0.000 0.228 304 L C 1.518 178.362 176.870 -0.043 0.000 1.123 304 L CA 0.418 55.215 54.840 -0.071 0.000 0.890 304 L CB -0.031 42.008 42.059 -0.033 0.000 1.103 304 L HN 0.219 nan 8.230 nan 0.000 0.468 305 K N -0.658 119.709 120.400 -0.055 0.000 2.481 305 K HA 0.236 4.558 4.320 0.004 0.000 0.210 305 K C -0.090 176.502 176.600 -0.013 0.000 1.161 305 K CA 0.015 56.286 56.287 -0.027 0.000 1.023 305 K CB 1.856 34.340 32.500 -0.028 0.000 0.971 305 K HN -0.079 nan 8.250 nan 0.000 0.577 306 V N 3.319 123.216 119.914 -0.029 0.000 2.293 306 V HA 0.100 4.222 4.120 0.004 0.000 0.275 306 V C 0.305 176.408 176.094 0.016 0.000 1.021 306 V CA -0.725 61.584 62.300 0.014 0.000 0.815 306 V CB 0.849 32.690 31.823 0.029 0.000 1.025 306 V HN 0.277 nan 8.190 nan 0.000 0.448 307 S N 5.052 120.778 115.700 0.044 0.000 2.587 307 S HA 0.302 4.774 4.470 0.004 0.000 0.260 307 S C 1.226 175.870 174.600 0.074 0.000 1.353 307 S CA -0.341 57.889 58.200 0.051 0.000 0.995 307 S CB 0.713 63.956 63.200 0.071 0.000 0.912 307 S HN 0.479 nan 8.310 nan 0.000 0.568 308 L N 1.246 122.512 121.223 0.072 0.000 2.017 308 L HA -0.132 4.210 4.340 0.004 0.000 0.208 308 L C 3.148 180.156 176.870 0.231 0.000 1.073 308 L CA 1.705 56.594 54.840 0.082 0.000 0.745 308 L CB -0.883 41.278 42.059 0.170 0.000 0.894 308 L HN 1.006 nan 8.230 nan 0.000 0.432 309 S N -1.268 114.597 115.700 0.275 0.000 2.356 309 S HA -0.188 4.284 4.470 0.004 0.000 0.223 309 S C 2.074 176.845 174.600 0.286 0.000 1.032 309 S CA 1.492 59.889 58.200 0.328 0.000 1.005 309 S CB -0.573 62.757 63.200 0.216 0.000 0.867 309 S HN 0.356 nan 8.310 nan 0.000 0.449 310 S N 1.563 117.385 115.700 0.204 0.000 2.368 310 S HA -0.002 4.470 4.470 0.004 0.000 0.225 310 S C 1.374 176.089 174.600 0.192 0.000 1.030 310 S CA 1.191 59.496 58.200 0.174 0.000 0.999 310 S CB -0.797 62.485 63.200 0.137 0.000 0.844 310 S HN 0.561 nan 8.310 nan 0.000 0.459 311 F N 1.320 121.284 119.950 0.024 0.000 2.063 311 F HA -0.234 4.295 4.527 0.004 0.000 0.298 311 F C 1.862 177.631 175.800 -0.051 0.000 1.109 311 F CA 1.614 59.591 58.000 -0.038 0.000 1.212 311 F CB -0.565 38.241 39.000 -0.324 0.000 0.973 311 F HN 0.246 nan 8.300 nan 0.000 0.480 312 W N 0.273 121.718 121.300 0.242 0.000 2.381 312 W HA -0.103 4.559 4.660 0.004 0.000 0.301 312 W C 2.424 178.934 176.519 -0.015 0.000 1.205 312 W CA 0.951 58.361 57.345 0.109 0.000 1.285 312 W CB -0.539 29.035 29.460 0.192 0.000 1.133 312 W HN 0.017 nan 8.180 nan 0.000 0.521 313 I N 0.646 121.363 120.570 0.244 0.000 2.076 313 I HA -0.324 3.849 4.170 0.004 0.000 0.237 313 I C 2.202 178.332 176.117 0.022 0.000 1.059 313 I CA 1.678 63.057 61.300 0.131 0.000 1.317 313 I CB -0.709 37.368 38.000 0.129 0.000 1.037 313 I HN 0.026 nan 8.210 nan 0.000 0.398 314 E N 0.449 120.622 120.200 -0.045 0.000 2.204 314 E HA -0.243 4.109 4.350 0.004 0.000 0.195 314 E C 2.092 178.336 176.600 -0.593 0.000 0.990 314 E CA 0.971 57.268 56.400 -0.173 0.000 0.821 314 E CB -0.172 29.537 29.700 0.015 0.000 0.750 314 E HN 0.379 nan 8.360 nan 0.000 0.477 315 L N 1.241 122.025 121.223 -0.732 0.000 2.027 315 L HA -0.233 4.109 4.340 0.004 0.000 0.206 315 L C 2.561 179.240 176.870 -0.317 0.000 1.074 315 L CA 1.806 56.145 54.840 -0.836 0.000 0.745 315 L CB -0.339 41.343 42.059 -0.630 0.000 0.898 315 L HN -0.024 nan 8.230 nan 0.000 0.433 316 Q N 0.219 119.954 119.800 -0.110 0.000 2.014 316 Q HA -0.283 4.060 4.340 0.004 0.000 0.207 316 Q C 2.057 178.055 176.000 -0.003 0.000 0.993 316 Q CA 2.556 58.351 55.803 -0.014 0.000 0.850 316 Q CB -0.319 28.438 28.738 0.032 0.000 0.916 316 Q HN 0.648 nan 8.270 nan 0.000 0.417 317 E N -0.476 119.817 120.200 0.156 0.000 2.085 317 E HA -0.221 4.131 4.350 0.004 0.000 0.194 317 E C 2.166 179.206 176.600 0.733 0.000 0.994 317 E CA 1.332 58.166 56.400 0.723 0.000 0.801 317 E CB -0.153 29.839 29.700 0.485 0.000 0.743 317 E HN 0.341 nan 8.360 nan 0.000 0.453 318 R N 0.392 120.988 120.500 0.159 0.000 2.119 318 R HA -0.052 4.291 4.340 0.004 0.000 0.222 318 R C 2.235 178.580 176.300 0.075 0.000 1.088 318 R CA 0.903 57.058 56.100 0.091 0.000 0.984 318 R CB -0.007 30.242 30.300 -0.085 0.000 0.884 318 R HN 0.258 nan 8.270 nan 0.000 0.447 319 Q N 0.038 119.842 119.800 0.007 0.000 2.302 319 Q HA -0.021 4.322 4.340 0.004 0.000 0.202 319 Q C 1.509 177.506 176.000 -0.006 0.000 0.936 319 Q CA 0.694 56.504 55.803 0.011 0.000 0.886 319 Q CB 0.359 29.113 28.738 0.027 0.000 0.986 319 Q HN 0.406 nan 8.270 nan 0.000 0.487 320 E N 0.606 120.761 120.200 -0.075 0.000 2.016 320 E HA -0.093 4.260 4.350 0.004 0.000 0.190 320 E C 1.371 177.827 176.600 -0.240 0.000 0.985 320 E CA 0.840 57.098 56.400 -0.236 0.000 0.802 320 E CB -0.054 29.326 29.700 -0.533 0.000 0.762 320 E HN 0.272 nan 8.360 nan 0.000 0.448 321 F N 1.570 121.513 119.950 -0.011 0.000 2.641 321 F HA -0.047 4.482 4.527 0.003 0.000 0.298 321 F C 1.973 177.773 175.800 -0.001 0.000 1.146 321 F CA 0.700 58.696 58.000 -0.007 0.000 1.464 321 F CB -0.125 38.867 39.000 -0.012 0.000 1.101 321 F HN -0.112 nan 8.300 nan 0.000 0.585 322 K N 0.015 120.486 120.400 0.118 0.000 2.186 322 K HA 0.186 4.508 4.320 0.004 0.000 0.202 322 K C 0.542 177.171 176.600 0.049 0.000 1.052 322 K CA 0.874 57.209 56.287 0.080 0.000 0.965 322 K CB 0.339 32.876 32.500 0.062 0.000 0.746 322 K HN 0.256 nan 8.250 nan 0.000 0.457 323 L N 0.813 122.051 121.223 0.025 0.000 2.619 323 L HA 0.074 4.416 4.340 0.004 0.000 0.311 323 L C -0.885 175.977 176.870 -0.013 0.000 1.299 323 L CA -0.487 54.360 54.840 0.011 0.000 0.664 323 L CB 0.992 43.063 42.059 0.019 0.000 1.017 323 L HN -0.086 nan 8.230 nan 0.000 0.525 324 S N 1.113 116.782 115.700 -0.051 0.000 4.234 324 S HA 0.021 4.493 4.470 0.004 0.000 0.500 324 S C 0.038 174.603 174.600 -0.058 0.000 1.062 324 S CA 0.562 58.701 58.200 -0.102 0.000 0.852 324 S CB 0.069 63.200 63.200 -0.116 0.000 1.045 324 S HN 0.321 nan 8.310 nan 0.000 0.429 325 V N 2.833 122.711 119.914 -0.060 0.000 2.885 325 V HA 0.109 4.232 4.120 0.004 0.000 0.254 325 V C -0.113 175.974 176.094 -0.013 0.000 1.772 325 V CA -1.129 61.158 62.300 -0.021 0.000 0.915 325 V CB 1.875 33.704 31.823 0.011 0.000 1.342 325 V HN 0.850 nan 8.190 nan 0.000 0.459 326 T N 3.515 118.062 114.554 -0.012 0.000 2.769 326 T HA 0.346 4.699 4.350 0.004 0.000 0.293 326 T C 0.204 174.910 174.700 0.010 0.000 0.931 326 T CA 0.273 62.362 62.100 -0.020 0.000 1.139 326 T CB 0.324 69.168 68.868 -0.041 0.000 0.881 326 T HN 0.684 nan 8.240 nan 0.000 0.532 327 S N 2.733 118.437 115.700 0.007 0.000 2.509 327 S HA 0.697 5.169 4.470 0.004 0.000 0.297 327 S C 0.183 174.662 174.600 -0.202 0.000 1.118 327 S CA -1.003 57.187 58.200 -0.016 0.000 1.074 327 S CB 1.484 64.781 63.200 0.162 0.000 1.038 327 S HN 0.817 nan 8.310 nan 0.000 0.498 328 S N 1.225 116.735 115.700 -0.316 0.000 2.599 328 S HA 0.882 5.354 4.470 0.004 0.000 0.294 328 S C -0.644 173.636 174.600 -0.534 0.000 1.094 328 S CA -0.643 57.350 58.200 -0.345 0.000 0.931 328 S CB 1.093 64.189 63.200 -0.173 0.000 1.093 328 S HN 0.433 nan 8.310 nan 0.000 0.488 332 I N 0.884 121.326 120.570 -0.213 0.000 2.562 332 I HA 0.758 4.930 4.170 0.004 0.000 0.301 332 I C 0.025 175.968 176.117 -0.290 0.000 1.003 332 I CA -0.975 60.086 61.300 -0.398 0.000 1.127 332 I CB 2.420 40.051 38.000 -0.615 0.000 1.304 332 I HN 0.454 nan 8.210 nan 0.000 0.446 333 S N 3.062 118.568 115.700 -0.324 0.000 2.614 333 S HA 0.785 5.257 4.470 0.004 0.000 0.259 333 S C -0.646 173.857 174.600 -0.162 0.000 1.118 333 S CA -0.132 57.961 58.200 -0.178 0.000 1.065 333 S CB 0.923 64.063 63.200 -0.099 0.000 1.121 333 S HN 1.058 nan 8.310 nan 0.000 0.458 334 G N 3.016 111.751 108.800 -0.108 0.000 2.364 334 G HA2 0.424 4.386 3.960 0.004 0.000 0.286 334 G HA3 0.424 4.386 3.960 0.004 0.000 0.286 334 G C -2.370 172.480 174.900 -0.084 0.000 1.241 334 G CA -0.512 44.558 45.100 -0.051 0.000 0.887 334 G HN 0.507 nan 8.290 nan 0.000 0.484 335 Y N 0.694 121.128 120.300 0.224 0.000 2.409 335 Y HA 0.623 5.175 4.550 0.004 0.000 0.339 335 Y C 0.898 176.783 175.900 -0.025 0.000 1.033 335 Y CA -0.522 57.638 58.100 0.100 0.000 1.094 335 Y CB 2.254 40.746 38.460 0.054 0.000 1.210 335 Y HN 0.445 nan 8.280 nan 0.000 0.456 336 S N 2.583 118.236 115.700 -0.078 0.000 2.572 336 S HA 0.091 4.563 4.470 0.004 0.000 0.279 336 S C 1.282 175.814 174.600 -0.113 0.000 1.341 336 S CA -0.541 57.465 58.200 -0.323 0.000 1.043 336 S CB 0.526 63.556 63.200 -0.284 0.000 0.887 336 S HN 0.676 nan 8.310 nan 0.000 0.516 337 L N 0.924 122.068 121.223 -0.131 0.000 2.201 337 L HA -0.013 4.329 4.340 0.004 0.000 0.212 337 L C 1.109 177.959 176.870 -0.034 0.000 1.105 337 L CA 0.824 55.638 54.840 -0.043 0.000 0.775 337 L CB -0.296 41.745 42.059 -0.030 0.000 0.913 337 L HN 0.709 nan 8.230 nan 0.000 0.440 338 A N -0.961 121.826 122.820 -0.055 0.000 2.343 338 A HA 0.513 4.836 4.320 0.004 0.000 0.316 338 A C -0.145 177.424 177.584 -0.026 0.000 1.104 338 A CA -0.455 51.565 52.037 -0.029 0.000 0.768 338 A CB 0.679 19.665 19.000 -0.023 0.000 1.213 338 A HN 0.028 nan 8.150 nan 0.000 0.456 339 T N 5.020 119.573 114.554 -0.002 0.000 2.829 339 T HA 0.327 4.679 4.350 0.004 0.000 0.293 339 T C -2.257 172.446 174.700 0.006 0.000 0.970 339 T CA -0.075 62.032 62.100 0.012 0.000 1.168 339 T CB -0.098 68.787 68.868 0.028 0.000 0.911 339 T HN 0.512 nan 8.240 nan 0.000 0.535 340 P HA 0.209 nan 4.420 nan 0.000 0.276 340 P C 0.000 177.302 177.300 0.004 0.000 1.243 340 P CA -0.358 62.726 63.100 -0.026 0.000 0.768 340 P CB 0.746 32.418 31.700 -0.047 0.000 0.856 341 S N 1.523 117.229 115.700 0.010 0.000 2.993 341 S HA 0.173 4.645 4.470 0.004 0.000 0.257 341 S C 0.030 174.707 174.600 0.128 0.000 0.997 341 S CA -0.442 57.809 58.200 0.086 0.000 1.191 341 S CB -0.310 62.947 63.200 0.094 0.000 1.143 341 S HN 0.250 nan 8.310 nan 0.000 0.655 342 L N 2.316 123.536 121.223 -0.006 0.000 2.305 342 L HA 0.652 4.994 4.340 0.004 0.000 0.281 342 L C -1.398 175.394 176.870 -0.130 0.000 1.085 342 L CA -0.416 54.414 54.840 -0.018 0.000 0.813 342 L CB 0.262 42.234 42.059 -0.145 0.000 1.157 342 L HN 0.241 nan 8.230 nan 0.000 0.436 343 F N 5.955 125.817 119.950 -0.148 0.000 2.308 343 F HA 0.449 4.978 4.527 0.004 0.000 0.370 343 F C -1.780 173.862 175.800 -0.264 0.000 1.100 343 F CA -2.468 55.400 58.000 -0.220 0.000 1.108 343 F CB 0.373 39.383 39.000 0.017 0.000 1.293 343 F HN 0.422 nan 8.300 nan 0.000 0.478 344 P HA -0.005 nan 4.420 nan 0.000 0.260 344 P C -0.024 177.303 177.300 0.045 0.000 1.172 344 P CA 0.181 63.199 63.100 -0.137 0.000 0.760 344 P CB 0.511 32.073 31.700 -0.230 0.000 0.773 345 S N 1.513 117.289 115.700 0.126 0.000 2.640 345 S HA 0.110 4.583 4.470 0.004 0.000 0.262 345 S C 1.468 176.154 174.600 0.144 0.000 1.232 345 S CA 0.250 58.531 58.200 0.134 0.000 0.988 345 S CB 0.135 63.410 63.200 0.124 0.000 1.034 345 S HN 0.446 nan 8.310 nan 0.000 0.569 346 S N -0.134 115.641 115.700 0.124 0.000 2.453 346 S HA 0.068 4.541 4.470 0.004 0.000 0.231 346 S C 1.866 176.532 174.600 0.110 0.000 1.005 346 S CA 0.393 58.662 58.200 0.115 0.000 0.949 346 S CB -1.022 62.231 63.200 0.089 0.000 0.774 346 S HN 1.021 nan 8.310 nan 0.000 0.510 347 A N 2.224 125.111 122.820 0.112 0.000 1.968 347 A HA -0.042 4.281 4.320 0.004 0.000 0.217 347 A C 1.873 179.567 177.584 0.182 0.000 1.169 347 A CA 1.388 53.496 52.037 0.118 0.000 0.638 347 A CB -0.473 18.596 19.000 0.115 0.000 0.812 347 A HN 0.462 nan 8.150 nan 0.000 0.446 348 D N -0.714 119.800 120.400 0.190 0.000 2.137 348 D HA 0.068 4.710 4.640 0.004 0.000 0.202 348 D C 0.880 177.333 176.300 0.255 0.000 0.970 348 D CA 1.707 55.829 54.000 0.203 0.000 0.837 348 D CB 0.018 40.993 40.800 0.291 0.000 0.981 348 D HN 0.437 nan 8.370 nan 0.000 0.475 349 V N -1.811 118.245 119.914 0.237 0.000 3.049 349 V HA 0.549 4.671 4.120 0.004 0.000 0.309 349 V C -0.793 175.410 176.094 0.182 0.000 1.148 349 V CA -1.106 61.334 62.300 0.233 0.000 0.990 349 V CB 2.663 34.651 31.823 0.274 0.000 1.039 349 V HN -0.143 nan 8.190 nan 0.000 0.430 350 I N 2.671 123.338 120.570 0.163 0.000 2.389 350 I HA 0.551 4.723 4.170 0.004 0.000 0.288 350 I C -0.780 175.428 176.117 0.150 0.000 0.999 350 I CA -0.929 60.456 61.300 0.141 0.000 1.129 350 I CB 2.140 40.217 38.000 0.127 0.000 1.288 350 I HN 0.517 nan 8.210 nan 0.000 0.444 351 V N 7.525 127.520 119.914 0.136 0.000 2.275 351 V HA 0.294 4.417 4.120 0.004 0.000 0.272 351 V C -2.102 174.063 176.094 0.119 0.000 1.028 351 V CA -1.659 60.714 62.300 0.122 0.000 0.810 351 V CB 0.446 32.318 31.823 0.082 0.000 1.043 351 V HN 0.600 nan 8.190 nan 0.000 0.453 352 P HA 0.118 nan 4.420 nan 0.000 0.266 352 P C 0.871 178.241 177.300 0.116 0.000 1.193 352 P CA -0.035 63.159 63.100 0.156 0.000 0.770 352 P CB 0.754 32.574 31.700 0.200 0.000 0.836 353 K N -0.107 120.357 120.400 0.106 0.000 2.362 353 K HA 0.017 4.339 4.320 0.004 0.000 0.200 353 K C 0.903 177.556 176.600 0.090 0.000 1.046 353 K CA 0.866 57.203 56.287 0.083 0.000 0.952 353 K CB 0.071 32.617 32.500 0.077 0.000 0.753 353 K HN 0.353 nan 8.250 nan 0.000 0.466 354 S N -0.740 115.022 115.700 0.104 0.000 2.595 354 S HA 0.258 4.730 4.470 0.004 0.000 0.281 354 S C 0.359 175.021 174.600 0.104 0.000 1.117 354 S CA -0.945 57.312 58.200 0.095 0.000 0.873 354 S CB 2.046 65.302 63.200 0.092 0.000 1.108 354 S HN 0.131 nan 8.310 nan 0.000 0.477 355 R N 1.659 122.204 120.500 0.074 0.000 2.096 355 R HA 0.011 4.353 4.340 0.004 0.000 0.235 355 R C 1.625 177.989 176.300 0.107 0.000 1.127 355 R CA 1.459 57.605 56.100 0.077 0.000 0.968 355 R CB -0.229 30.089 30.300 0.031 0.000 0.861 355 R HN 0.609 nan 8.270 nan 0.000 0.440 356 K N 0.065 120.507 120.400 0.070 0.000 2.097 356 K HA -0.197 4.125 4.320 0.004 0.000 0.205 356 K C 2.146 178.764 176.600 0.028 0.000 1.050 356 K CA 1.417 57.729 56.287 0.042 0.000 0.938 356 K CB -0.050 32.473 32.500 0.038 0.000 0.718 356 K HN 0.301 nan 8.250 nan 0.000 0.442 357 Q N -0.163 119.682 119.800 0.076 0.000 2.172 357 Q HA -0.140 4.202 4.340 0.004 0.000 0.200 357 Q C 1.878 177.864 176.000 -0.024 0.000 0.964 357 Q CA 0.997 56.843 55.803 0.072 0.000 0.855 357 Q CB -0.029 28.818 28.738 0.182 0.000 0.918 357 Q HN 0.231 nan 8.270 nan 0.000 0.444 358 F N 0.955 120.856 119.950 -0.082 0.000 2.075 358 F HA -0.184 4.345 4.527 0.004 0.000 0.297 358 F C 2.117 177.799 175.800 -0.197 0.000 1.113 358 F CA 1.624 59.553 58.000 -0.117 0.000 1.218 358 F CB -0.025 38.927 39.000 -0.081 0.000 0.984 358 F HN -0.084 nan 8.300 nan 0.000 0.472 359 R N 0.202 120.656 120.500 -0.077 0.000 2.105 359 R HA -0.147 4.196 4.340 0.004 0.000 0.239 359 R C 2.444 178.531 176.300 -0.355 0.000 1.135 359 R CA 1.220 57.204 56.100 -0.193 0.000 0.967 359 R CB -0.849 29.421 30.300 -0.050 0.000 0.861 359 R HN 0.437 nan 8.270 nan 0.000 0.442 360 A N 1.159 123.758 122.820 -0.369 0.000 1.877 360 A HA -0.149 4.173 4.320 0.004 0.000 0.216 360 A C 2.141 179.219 177.584 -0.843 0.000 1.186 360 A CA 1.268 52.973 52.037 -0.554 0.000 0.620 360 A CB -0.453 18.272 19.000 -0.459 0.000 0.822 360 A HN 0.166 nan 8.150 nan 0.000 0.443 361 I N -0.512 119.597 120.570 -0.768 0.000 2.142 361 I HA -0.270 3.903 4.170 0.004 0.000 0.240 361 I C 2.523 178.362 176.117 -0.463 0.000 1.078 361 I CA 1.911 62.846 61.300 -0.608 0.000 1.343 361 I CB -0.276 37.435 38.000 -0.482 0.000 1.046 361 I HN 0.332 nan 8.210 nan 0.000 0.405 362 K N 1.279 121.286 120.400 -0.656 0.000 2.074 362 K HA -0.267 4.056 4.320 0.004 0.000 0.209 362 K C 2.230 178.532 176.600 -0.496 0.000 1.048 362 K CA 1.648 57.467 56.287 -0.780 0.000 0.926 362 K CB -0.084 31.765 32.500 -1.086 0.000 0.713 362 K HN 0.130 nan 8.250 nan 0.000 0.444 363 K N -0.370 119.767 120.400 -0.438 0.000 2.283 363 K HA -0.138 4.184 4.320 0.004 0.000 0.202 363 K C 1.651 178.152 176.600 -0.165 0.000 1.048 363 K CA 0.923 57.032 56.287 -0.295 0.000 0.948 363 K CB -0.011 32.306 32.500 -0.305 0.000 0.742 363 K HN 0.166 nan 8.250 nan 0.000 0.458 364 Y N 0.803 121.036 120.300 -0.110 0.000 2.256 364 Y HA -0.225 4.327 4.550 0.003 0.000 0.288 364 Y C 2.026 177.987 175.900 0.101 0.000 1.155 364 Y CA 0.673 58.766 58.100 -0.012 0.000 1.203 364 Y CB -0.076 38.371 38.460 -0.021 0.000 0.980 364 Y HN 0.074 nan 8.280 nan 0.000 0.530 365 I N -1.006 119.709 120.570 0.242 0.000 2.385 365 I HA -0.140 4.032 4.170 0.004 0.000 0.244 365 I C 2.443 178.727 176.117 0.278 0.000 1.089 365 I CA 1.921 63.418 61.300 0.328 0.000 1.410 365 I CB -1.665 36.518 38.000 0.304 0.000 1.117 365 I HN 0.236 nan 8.210 nan 0.000 0.429 366 T N -1.551 113.043 114.554 0.066 0.000 3.023 366 T HA 0.042 4.394 4.350 0.004 0.000 0.266 366 T C 1.700 176.459 174.700 0.097 0.000 1.093 366 T CA 0.923 63.045 62.100 0.036 0.000 1.129 366 T CB -0.565 68.250 68.868 -0.088 0.000 0.899 366 T HN 0.315 nan 8.240 nan 0.000 0.491 367 G N 0.296 109.144 108.800 0.080 0.000 3.042 367 G HA2 0.242 4.205 3.960 0.004 0.000 0.212 367 G HA3 0.242 4.205 3.960 0.004 0.000 0.212 367 G C 0.313 175.267 174.900 0.090 0.000 1.166 367 G CA -0.301 44.836 45.100 0.061 0.000 0.767 367 G HN 0.546 nan 8.290 nan 0.000 0.546 368 E N 0.696 120.980 120.200 0.140 0.000 2.283 368 E HA 0.371 4.723 4.350 0.004 0.000 0.267 368 E C -0.324 176.231 176.600 -0.076 0.000 1.045 368 E CA -0.575 55.821 56.400 -0.007 0.000 0.884 368 E CB 0.685 30.334 29.700 -0.085 0.000 1.106 368 E HN -0.063 nan 8.360 nan 0.000 0.408 369 E N 2.479 122.556 120.200 -0.205 0.000 2.175 369 E HA 0.144 4.496 4.350 0.004 0.000 0.278 369 E C -0.681 175.747 176.600 -0.287 0.000 0.969 369 E CA -0.245 56.090 56.400 -0.107 0.000 0.796 369 E CB 0.896 30.576 29.700 -0.033 0.000 1.104 369 E HN 0.598 nan 8.360 nan 0.000 0.395 370 Y N 1.005 121.411 120.300 0.176 0.000 2.696 370 Y HA 0.022 4.575 4.550 0.005 0.000 0.260 370 Y C 1.298 177.358 175.900 0.267 0.000 1.165 370 Y CA -0.393 57.851 58.100 0.240 0.000 1.189 370 Y CB 0.520 39.175 38.460 0.325 0.000 1.180 370 Y HN 0.408 nan 8.280 nan 0.000 0.538 371 D N -0.464 120.082 120.400 0.243 0.000 2.264 371 D HA -0.079 4.564 4.640 0.004 0.000 0.208 371 D C 0.788 177.214 176.300 0.211 0.000 0.966 371 D CA 1.019 55.141 54.000 0.203 0.000 0.864 371 D CB -0.220 40.652 40.800 0.119 0.000 0.933 371 D HN 0.312 nan 8.370 nan 0.000 0.499 372 T N -3.790 110.845 114.554 0.134 0.000 2.906 372 T HA 0.288 4.640 4.350 0.004 0.000 0.295 372 T C 0.707 175.225 174.700 -0.303 0.000 1.075 372 T CA -0.815 61.303 62.100 0.031 0.000 1.005 372 T CB 2.695 71.555 68.868 -0.014 0.000 1.136 372 T HN -0.052 nan 8.240 nan 0.000 0.498 373 E N 0.499 120.413 120.200 -0.476 0.000 2.209 373 E HA -0.211 4.141 4.350 0.004 0.000 0.196 373 E C 1.427 177.762 176.600 -0.443 0.000 0.993 373 E CA 1.341 57.219 56.400 -0.870 0.000 0.819 373 E CB -0.042 29.434 29.700 -0.373 0.000 0.745 373 E HN 0.795 nan 8.360 nan 0.000 0.477 374 E N -0.276 119.778 120.200 -0.244 0.000 2.130 374 E HA -0.195 4.157 4.350 0.004 0.000 0.196 374 E C 2.029 178.538 176.600 -0.152 0.000 0.998 374 E CA 0.964 57.278 56.400 -0.145 0.000 0.806 374 E CB -0.278 29.368 29.700 -0.091 0.000 0.738 374 E HN 0.457 nan 8.360 nan 0.000 0.459 375 G N 1.228 109.884 108.800 -0.239 0.000 2.440 375 G HA2 -0.261 3.702 3.960 0.004 0.000 0.218 375 G HA3 -0.261 3.702 3.960 0.004 0.000 0.218 375 G C 1.688 176.480 174.900 -0.180 0.000 1.154 375 G CA 0.922 45.805 45.100 -0.362 0.000 0.767 375 G HN 0.359 nan 8.290 nan 0.000 0.552 376 A N 0.379 123.194 122.820 -0.008 0.000 1.969 376 A HA 0.135 4.457 4.320 0.004 0.000 0.218 376 A C 2.373 180.100 177.584 0.238 0.000 1.169 376 A CA 1.088 53.291 52.037 0.277 0.000 0.635 376 A CB -0.242 18.851 19.000 0.155 0.000 0.810 376 A HN 0.401 nan 8.150 nan 0.000 0.445 377 I N -1.134 119.496 120.570 0.100 0.000 2.277 377 I HA -0.180 3.992 4.170 0.004 0.000 0.243 377 I C 2.494 178.722 176.117 0.184 0.000 1.094 377 I CA 1.518 62.907 61.300 0.148 0.000 1.393 377 I CB -0.298 37.736 38.000 0.056 0.000 1.078 377 I HN 0.431 nan 8.210 nan 0.000 0.417 378 E N 1.220 121.471 120.200 0.085 0.000 2.110 378 E HA -0.239 4.113 4.350 0.004 0.000 0.193 378 E C 2.239 178.888 176.600 0.080 0.000 0.988 378 E CA 1.342 57.772 56.400 0.049 0.000 0.804 378 E CB -0.006 29.691 29.700 -0.005 0.000 0.745 378 E HN 0.478 nan 8.360 nan 0.000 0.458 379 A N 0.461 123.393 122.820 0.187 0.000 1.877 379 A HA -0.185 4.137 4.320 0.004 0.000 0.216 379 A C 2.000 179.785 177.584 0.334 0.000 1.186 379 A CA 1.362 53.578 52.037 0.298 0.000 0.620 379 A CB -0.879 18.417 19.000 0.493 0.000 0.822 379 A HN 0.505 nan 8.150 nan 0.000 0.443 380 F N 1.296 121.414 119.950 0.281 0.000 2.069 380 F HA -0.169 4.360 4.527 0.004 0.000 0.298 380 F C 2.490 178.282 175.800 -0.013 0.000 1.113 380 F CA 2.436 60.539 58.000 0.173 0.000 1.214 380 F CB -0.877 38.239 39.000 0.193 0.000 0.978 380 F HN 0.201 nan 8.300 nan 0.000 0.474 381 T N 1.055 115.563 114.554 -0.077 0.000 2.665 381 T HA -0.229 4.123 4.350 0.004 0.000 0.268 381 T C 1.709 176.225 174.700 -0.308 0.000 1.035 381 T CA 1.812 63.782 62.100 -0.217 0.000 1.151 381 T CB -0.426 68.419 68.868 -0.037 0.000 0.862 381 T HN 0.264 nan 8.240 nan 0.000 0.438 382 N N 0.851 119.361 118.700 -0.317 0.000 2.188 382 N HA 0.027 4.770 4.740 0.004 0.000 0.184 382 N C 1.829 176.976 175.510 -0.604 0.000 1.018 382 N CA 0.716 53.403 53.050 -0.606 0.000 0.858 382 N CB -0.309 37.581 38.487 -0.994 0.000 0.989 382 N HN 0.293 nan 8.380 nan 0.000 0.426 383 I N 0.911 121.271 120.570 -0.350 0.000 2.286 383 I HA -0.139 4.033 4.170 0.004 0.000 0.245 383 I C 2.423 178.446 176.117 -0.156 0.000 1.104 383 I CA 0.748 61.980 61.300 -0.113 0.000 1.397 383 I CB -0.662 37.362 38.000 0.040 0.000 1.072 383 I HN 0.172 nan 8.210 nan 0.000 0.417 384 R N 0.908 121.180 120.500 -0.379 0.000 2.075 384 R HA -0.180 4.162 4.340 0.004 0.000 0.232 384 R C 1.817 177.980 176.300 -0.228 0.000 1.126 384 R CA 1.747 57.600 56.100 -0.412 0.000 0.963 384 R CB 0.004 29.841 30.300 -0.771 0.000 0.858 384 R HN 0.280 nan 8.270 nan 0.000 0.435 385 D N -0.187 120.087 120.400 -0.211 0.000 2.117 385 D HA -0.163 4.479 4.640 0.004 0.000 0.198 385 D C 1.543 177.815 176.300 -0.047 0.000 0.982 385 D CA 0.965 54.888 54.000 -0.128 0.000 0.828 385 D CB -0.352 40.367 40.800 -0.135 0.000 0.967 385 D HN 0.186 nan 8.370 nan 0.000 0.464 386 F N 1.270 121.146 119.950 -0.123 0.000 2.102 386 F HA -0.148 4.380 4.527 0.003 0.000 0.298 386 F C 2.142 177.935 175.800 -0.013 0.000 1.105 386 F CA 1.195 59.188 58.000 -0.011 0.000 1.239 386 F CB -0.079 39.000 39.000 0.132 0.000 0.991 386 F HN -0.115 nan 8.300 nan 0.000 0.474 387 L N -0.327 121.035 121.223 0.232 0.000 2.046 387 L HA -0.241 4.102 4.340 0.004 0.000 0.208 387 L C 2.428 179.299 176.870 0.001 0.000 1.077 387 L CA 1.230 56.151 54.840 0.134 0.000 0.747 387 L CB -0.859 41.247 42.059 0.078 0.000 0.896 387 L HN 0.243 nan 8.230 nan 0.000 0.432 388 L N -0.512 120.684 121.223 -0.044 0.000 2.027 388 L HA -0.219 4.123 4.340 0.004 0.000 0.206 388 L C 2.482 179.301 176.870 -0.084 0.000 1.074 388 L CA 1.283 56.084 54.840 -0.064 0.000 0.745 388 L CB -0.412 41.602 42.059 -0.075 0.000 0.898 388 L HN 0.217 nan 8.230 nan 0.000 0.433 389 L N -1.328 119.823 121.223 -0.121 0.000 2.072 389 L HA -0.046 4.296 4.340 0.004 0.000 0.205 389 L C 1.512 178.267 176.870 -0.192 0.000 1.079 389 L CA 0.642 55.395 54.840 -0.145 0.000 0.752 389 L CB -0.420 41.548 42.059 -0.151 0.000 0.906 389 L HN 0.180 nan 8.230 nan 0.000 0.436 393 T N 0.401 114.952 114.554 -0.006 0.000 2.841 393 T HA 0.568 4.920 4.350 0.004 0.000 0.283 393 T C -0.753 173.936 174.700 -0.018 0.000 1.000 393 T CA -0.462 61.638 62.100 0.000 0.000 0.977 393 T CB 0.618 69.500 68.868 0.023 0.000 0.979 393 T HN 0.303 nan 8.240 nan 0.000 0.446 394 N N 3.286 121.968 118.700 -0.029 0.000 2.495 394 N HA 0.433 5.175 4.740 0.004 0.000 0.280 394 N C 0.012 175.478 175.510 -0.073 0.000 1.168 394 N CA -0.545 52.473 53.050 -0.053 0.000 0.978 394 N CB 0.910 39.372 38.487 -0.042 0.000 1.191 394 N HN 0.603 nan 8.380 nan 0.000 0.497 395 L N 1.173 122.332 121.223 -0.107 0.000 2.482 395 L HA 0.027 4.369 4.340 0.004 0.000 0.273 395 L C 1.019 177.795 176.870 -0.155 0.000 1.228 395 L CA -0.082 54.676 54.840 -0.136 0.000 0.827 395 L CB 0.277 42.233 42.059 -0.172 0.000 1.099 395 L HN 0.205 nan 8.230 nan 0.000 0.494 396 Q N 1.465 121.068 119.800 -0.328 0.000 2.261 396 Q HA 0.260 4.602 4.340 0.004 0.000 0.252 396 Q C -0.373 175.540 176.000 -0.145 0.000 0.915 396 Q CA -0.213 55.373 55.803 -0.363 0.000 0.915 396 Q CB 1.770 29.973 28.738 -0.891 0.000 1.204 396 Q HN 0.721 nan 8.270 nan 0.000 0.421 397 S N 2.190 117.901 115.700 0.017 0.000 2.593 397 S HA 0.837 5.309 4.470 0.004 0.000 0.297 397 S C -0.263 174.462 174.600 0.208 0.000 1.112 397 S CA -0.766 57.518 58.200 0.140 0.000 1.043 397 S CB 1.143 64.411 63.200 0.113 0.000 1.054 397 S HN 0.423 nan 8.310 nan 0.000 0.516 398 L N 1.040 122.434 121.223 0.284 0.000 2.371 398 L HA 0.614 4.956 4.340 0.004 0.000 0.262 398 L C -0.429 176.610 176.870 0.283 0.000 1.006 398 L CA -0.724 54.287 54.840 0.286 0.000 0.818 398 L CB 2.573 44.836 42.059 0.340 0.000 1.354 398 L HN 0.656 nan 8.230 nan 0.000 0.415 399 T N 0.790 115.474 114.554 0.216 0.000 2.770 399 T HA 0.474 4.826 4.350 0.004 0.000 0.283 399 T C 0.405 175.218 174.700 0.188 0.000 0.988 399 T CA -0.561 61.666 62.100 0.211 0.000 0.957 399 T CB 1.487 70.434 68.868 0.131 0.000 0.930 399 T HN 0.790 nan 8.240 nan 0.000 0.443 400 G N 1.813 110.760 108.800 0.245 0.000 2.562 400 G HA2 0.149 4.112 3.960 0.004 0.000 0.233 400 G HA3 0.149 4.112 3.960 0.004 0.000 0.233 400 G C 0.442 175.373 174.900 0.052 0.000 1.266 400 G CA -0.212 44.957 45.100 0.115 0.000 0.852 400 G HN 0.768 nan 8.290 nan 0.000 0.581 401 K N 0.083 120.479 120.400 -0.006 0.000 2.412 401 K HA 0.098 4.420 4.320 0.004 0.000 0.202 401 K C 1.156 177.715 176.600 -0.068 0.000 1.102 401 K CA -0.364 55.907 56.287 -0.028 0.000 1.027 401 K CB 0.716 33.200 32.500 -0.026 0.000 0.931 401 K HN 0.420 nan 8.250 nan 0.000 0.557 402 R N 2.588 123.034 120.500 -0.090 0.000 2.370 402 R HA 0.011 4.353 4.340 0.004 0.000 0.309 402 R C -0.247 175.923 176.300 -0.216 0.000 1.059 402 R CA 0.076 56.103 56.100 -0.121 0.000 0.981 402 R CB 0.454 30.692 30.300 -0.103 0.000 0.972 402 R HN 0.001 nan 8.270 nan 0.000 0.437 403 E N 2.876 122.961 120.200 -0.193 0.000 2.392 403 E HA 0.044 4.396 4.350 0.004 0.000 0.256 403 E C -0.001 176.447 176.600 -0.254 0.000 1.145 403 E CA -0.053 56.193 56.400 -0.257 0.000 0.929 403 E CB 0.534 30.162 29.700 -0.120 0.000 0.998 403 E HN 0.566 nan 8.360 nan 0.000 0.442 404 H N 0.000 119.067 119.070 -0.006 0.000 2.539 404 H HA 0.000 4.558 4.556 0.004 0.000 0.296 404 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 404 H CB 0.000 29.758 29.762 -0.007 0.000 1.292 404 H HN 0.000 nan 8.280 nan 0.000 0.496