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 3owa_1_D DATA FIRST_RESID 8 DATA SEQUENCE AVKGGSFLVD EITIDQVFTP EDFSSEHKXI AKTTEDFIVN EVLPELEYLE DATA SEQUENCE QHEFDRSVRL LKEAGELGLL GADVPEEYGG IGLDKVSSAL IAEKFSRAGG DATA SEQUENCE FAITHGAHVG IGSLPIVLFG NEEQKKKYLP LLATGEKLAA YALTEPGSGS DATA SEQUENCE DALGAKTTAR LNAEGTHYVL NGEKQWITNS AFADVFIVYA KIDGEHFSAF DATA SEQUENCE IVEKDYAGVS TSPEEKKXGI KCSSTRTLIL EDALVPKENL LGEIGKGHII DATA SEQUENCE AFNILNIGRY KLGVGTVGSA KRAVEISAQY ANQRQQFKQP IARFPLIQEK DATA SEQUENCE LANXAAKTYA AESSVYRTVG LFESRXSTLS EEEVKDGKAV AASIAEYAIE DATA SEQUENCE CSLNKVFGSE VLDYTVDEGV QIHGGYGFXA EYEIERXYRD SRINRIFEGT DATA SEQUENCE NEINRLIVPG TFLRKAXKGE LPLLQKAQKL QEELXXXXXX XVGDEPLALQ DATA SEQUENCE KYLVNNAKKI GLXVAGLAAQ KYGKALDKEQ EILVNIADIV SNLYAXESAV DATA SEQUENCE LRTEKAIKTT GLEKNKQKVL YTEVFCQEAF NEIEAHAKET LIAVENGDXL DATA SEQUENCE RXXLSSLRKL TRHTPLNVIP KKREIAAKIL EDERYTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.653 177.584 0.115 0.000 1.274 8 A CA 0.000 52.093 52.037 0.094 0.000 0.836 8 A CB 0.000 19.054 19.000 0.089 0.000 0.831 9 V N 3.686 123.692 119.914 0.152 0.000 2.432 9 V HA 0.220 4.340 4.120 0.001 0.000 0.271 9 V C 0.643 176.893 176.094 0.260 0.000 1.046 9 V CA -0.078 62.331 62.300 0.181 0.000 0.945 9 V CB 1.120 33.045 31.823 0.171 0.000 0.992 9 V HN 0.824 nan 8.190 nan 0.000 0.471 10 K N 3.104 123.612 120.400 0.180 0.000 2.202 10 K HA 0.373 4.693 4.320 0.001 0.000 0.264 10 K C 0.782 177.497 176.600 0.191 0.000 1.010 10 K CA -0.080 56.279 56.287 0.119 0.000 0.940 10 K CB 0.742 33.265 32.500 0.039 0.000 0.983 10 K HN 0.891 nan 8.250 nan 0.000 0.475 11 G N 0.076 108.879 108.800 0.005 0.000 2.340 11 G HA2 0.304 4.264 3.960 0.001 0.000 0.245 11 G HA3 0.304 4.264 3.960 0.001 0.000 0.245 11 G C 0.922 175.819 174.900 -0.005 0.000 1.294 11 G CA 0.302 45.431 45.100 0.048 0.000 0.896 11 G HN 0.785 nan 8.290 nan 0.000 0.522 12 G N 1.282 110.129 108.800 0.078 0.000 2.212 12 G HA2 -0.319 3.642 3.960 0.001 0.000 0.266 12 G HA3 -0.319 3.642 3.960 0.001 0.000 0.266 12 G C 1.817 176.673 174.900 -0.073 0.000 0.978 12 G CA 1.234 46.252 45.100 -0.136 0.000 0.632 12 G HN 1.913 nan 8.290 nan 0.000 0.537 13 S N 0.600 116.346 115.700 0.077 0.000 2.469 13 S HA 0.022 4.492 4.470 0.001 0.000 0.238 13 S C 2.109 176.755 174.600 0.077 0.000 0.998 13 S CA 1.679 59.922 58.200 0.073 0.000 0.957 13 S CB -0.711 62.553 63.200 0.107 0.000 0.764 13 S HN 1.458 nan 8.310 nan 0.000 0.514 14 F N 1.487 121.537 119.950 0.166 0.000 2.250 14 F HA 0.068 4.596 4.527 0.001 0.000 0.301 14 F C 1.764 177.650 175.800 0.142 0.000 1.077 14 F CA 0.612 58.712 58.000 0.166 0.000 1.348 14 F CB -0.802 38.337 39.000 0.232 0.000 1.040 14 F HN 0.262 nan 8.300 nan 0.000 0.509 15 L N 1.364 122.240 121.223 -0.578 0.000 2.141 15 L HA -0.056 4.284 4.340 0.001 0.000 0.209 15 L C 2.009 178.790 176.870 -0.147 0.000 1.094 15 L CA 1.771 56.380 54.840 -0.386 0.000 0.763 15 L CB -0.436 41.270 42.059 -0.588 0.000 0.908 15 L HN 0.271 nan 8.230 nan 0.000 0.437 16 V N -5.921 113.941 119.914 -0.087 0.000 3.572 16 V HA 0.337 4.457 4.120 0.001 0.000 0.260 16 V C 0.224 176.323 176.094 0.009 0.000 1.324 16 V CA -0.314 61.962 62.300 -0.039 0.000 1.068 16 V CB -0.087 31.712 31.823 -0.041 0.000 0.837 16 V HN 0.109 nan 8.190 nan 0.000 0.450 17 D N 1.333 121.759 120.400 0.042 0.000 2.228 17 D HA 0.396 5.037 4.640 0.001 0.000 0.247 17 D C -0.538 175.811 176.300 0.082 0.000 0.995 17 D CA -0.285 53.751 54.000 0.060 0.000 0.903 17 D CB 2.196 43.040 40.800 0.073 0.000 1.205 17 D HN 0.393 nan 8.370 nan 0.000 0.459 18 E N 1.485 121.726 120.200 0.067 0.000 2.104 18 E HA 0.117 4.467 4.350 0.001 0.000 0.278 18 E C -0.226 176.422 176.600 0.081 0.000 1.127 18 E CA -0.499 55.944 56.400 0.071 0.000 0.897 18 E CB 0.266 29.997 29.700 0.052 0.000 1.043 18 E HN 0.210 nan 8.360 nan 0.000 0.410 19 I N 4.198 124.828 120.570 0.100 0.000 2.428 19 I HA 0.108 4.279 4.170 0.001 0.000 0.289 19 I C 0.944 177.103 176.117 0.069 0.000 1.019 19 I CA -0.230 61.129 61.300 0.098 0.000 1.351 19 I CB 0.758 38.835 38.000 0.129 0.000 1.412 19 I HN 0.521 nan 8.210 nan 0.000 0.513 20 T N 2.598 117.188 114.554 0.060 0.000 2.952 20 T HA 0.517 4.868 4.350 0.001 0.000 0.286 20 T C 1.516 176.237 174.700 0.036 0.000 1.024 20 T CA -0.823 61.303 62.100 0.044 0.000 1.029 20 T CB 1.632 70.525 68.868 0.041 0.000 1.094 20 T HN 0.534 nan 8.240 nan 0.000 0.515 21 I N -0.916 119.669 120.570 0.025 0.000 2.423 21 I HA -0.065 4.106 4.170 0.001 0.000 0.254 21 I C 1.115 177.242 176.117 0.016 0.000 1.151 21 I CA 1.557 62.865 61.300 0.012 0.000 1.421 21 I CB -0.918 37.085 38.000 0.005 0.000 1.079 21 I HN 0.668 nan 8.210 nan 0.000 0.431 22 D N 0.355 120.771 120.400 0.028 0.000 2.340 22 D HA -0.082 4.558 4.640 0.001 0.000 0.220 22 D C 1.589 177.920 176.300 0.052 0.000 1.039 22 D CA 0.301 54.323 54.000 0.037 0.000 0.866 22 D CB -0.228 40.593 40.800 0.036 0.000 0.913 22 D HN 0.543 nan 8.370 nan 0.000 0.523 23 Q N 0.395 120.227 119.800 0.053 0.000 2.220 23 Q HA 0.173 4.514 4.340 0.001 0.000 0.205 23 Q C -0.158 175.882 176.000 0.067 0.000 0.865 23 Q CA -0.170 55.673 55.803 0.066 0.000 0.960 23 Q CB 1.281 30.063 28.738 0.073 0.000 1.097 23 Q HN 0.361 nan 8.270 nan 0.000 0.493 24 V N -2.546 117.402 119.914 0.057 0.000 2.656 24 V HA 0.576 4.697 4.120 0.001 0.000 0.307 24 V C -0.989 175.161 176.094 0.094 0.000 1.051 24 V CA -1.226 61.107 62.300 0.054 0.000 0.893 24 V CB 1.468 33.287 31.823 -0.007 0.000 0.999 24 V HN 0.080 nan 8.190 nan 0.000 0.426 25 F N 4.256 124.187 119.950 -0.031 0.000 2.408 25 F HA 0.776 5.303 4.527 0.001 0.000 0.344 25 F C 0.575 176.346 175.800 -0.049 0.000 1.112 25 F CA 0.471 58.460 58.000 -0.019 0.000 1.096 25 F CB 1.618 40.629 39.000 0.017 0.000 1.129 25 F HN 0.997 nan 8.300 nan 0.000 0.486 26 T N 2.866 116.992 114.554 -0.713 0.000 2.916 26 T HA 0.452 4.802 4.350 0.001 0.000 0.292 26 T C -2.361 171.720 174.700 -1.031 0.000 1.064 26 T CA -2.209 59.529 62.100 -0.602 0.000 1.011 26 T CB 1.961 70.593 68.868 -0.394 0.000 1.152 26 T HN 0.285 nan 8.240 nan 0.000 0.510 27 P HA -0.084 nan 4.420 nan 0.000 0.217 27 P C 0.999 177.549 177.300 -1.250 0.000 1.148 27 P CA 1.062 63.106 63.100 -1.760 0.000 0.828 27 P CB 0.024 31.117 31.700 -1.012 0.000 0.783 28 E N -0.697 119.102 120.200 -0.669 0.000 2.333 28 E HA -0.146 4.204 4.350 0.001 0.000 0.198 28 E C 1.192 177.584 176.600 -0.346 0.000 1.007 28 E CA 0.943 57.110 56.400 -0.390 0.000 0.845 28 E CB -0.849 28.711 29.700 -0.234 0.000 0.766 28 E HN 0.377 nan 8.360 nan 0.000 0.507 29 D N -0.469 119.612 120.400 -0.533 0.000 2.340 29 D HA -0.021 4.620 4.640 0.001 0.000 0.220 29 D C -0.118 176.192 176.300 0.016 0.000 1.039 29 D CA 0.025 53.818 54.000 -0.346 0.000 0.866 29 D CB -0.065 40.362 40.800 -0.622 0.000 0.913 29 D HN 0.220 nan 8.370 nan 0.000 0.523 30 F N 2.288 122.218 119.950 -0.033 0.000 2.602 30 F HA -0.071 4.457 4.527 0.001 0.000 0.385 30 F C 1.806 177.725 175.800 0.199 0.000 1.063 30 F CA -0.609 57.546 58.000 0.257 0.000 1.233 30 F CB 0.482 39.558 39.000 0.126 0.000 1.067 30 F HN -0.149 nan 8.300 nan 0.000 0.564 31 S N 1.879 117.798 115.700 0.365 0.000 2.608 31 S HA 0.068 4.539 4.470 0.001 0.000 0.261 31 S C 1.065 175.674 174.600 0.016 0.000 1.314 31 S CA -0.553 57.651 58.200 0.006 0.000 0.992 31 S CB 1.433 64.448 63.200 -0.308 0.000 0.935 31 S HN 0.624 nan 8.310 nan 0.000 0.564 32 S N 0.991 116.683 115.700 -0.013 0.000 2.383 32 S HA -0.102 4.369 4.470 0.001 0.000 0.229 32 S C 1.879 176.468 174.600 -0.019 0.000 1.030 32 S CA 1.212 59.413 58.200 0.001 0.000 1.002 32 S CB -0.546 62.652 63.200 -0.004 0.000 0.829 32 S HN 0.736 nan 8.310 nan 0.000 0.467 33 E N 0.947 121.097 120.200 -0.083 0.000 2.110 33 E HA -0.133 4.217 4.350 0.001 0.000 0.193 33 E C 1.823 178.416 176.600 -0.013 0.000 0.988 33 E CA 1.090 57.449 56.400 -0.069 0.000 0.804 33 E CB -0.459 29.178 29.700 -0.105 0.000 0.745 33 E HN 0.720 nan 8.360 nan 0.000 0.458 34 H N 0.707 119.769 119.070 -0.015 0.000 2.319 34 H HA -0.027 4.529 4.556 0.001 0.000 0.299 34 H C 1.069 176.319 175.328 -0.129 0.000 1.092 34 H CA 0.775 56.762 56.048 -0.101 0.000 1.302 34 H CB 0.134 29.798 29.762 -0.163 0.000 1.373 34 H HN -0.035 nan 8.280 nan 0.000 0.497 38 A N 1.780 124.612 122.820 0.019 0.000 1.883 38 A HA -0.260 4.060 4.320 0.001 0.000 0.217 38 A C 2.123 179.731 177.584 0.039 0.000 1.186 38 A CA 2.695 54.746 52.037 0.022 0.000 0.624 38 A CB -0.453 18.540 19.000 -0.013 0.000 0.822 38 A HN 0.477 nan 8.150 nan 0.000 0.444 39 K N -0.660 119.763 120.400 0.038 0.000 2.097 39 K HA -0.070 4.251 4.320 0.001 0.000 0.205 39 K C 1.727 178.353 176.600 0.044 0.000 1.050 39 K CA 2.210 58.521 56.287 0.041 0.000 0.938 39 K CB -0.920 31.603 32.500 0.039 0.000 0.718 39 K HN 0.274 nan 8.250 nan 0.000 0.442 40 T N 0.403 114.984 114.554 0.046 0.000 2.746 40 T HA -0.118 4.233 4.350 0.001 0.000 0.267 40 T C 1.654 176.400 174.700 0.076 0.000 1.039 40 T CA 1.963 64.095 62.100 0.054 0.000 1.142 40 T CB -0.542 68.352 68.868 0.043 0.000 0.866 40 T HN 0.438 nan 8.240 nan 0.000 0.444 41 T N 1.438 116.033 114.554 0.067 0.000 2.737 41 T HA -0.088 4.263 4.350 0.001 0.000 0.265 41 T C 1.925 176.650 174.700 0.042 0.000 1.038 41 T CA 1.348 63.489 62.100 0.069 0.000 1.144 41 T CB -0.254 68.657 68.868 0.072 0.000 0.866 41 T HN 0.532 nan 8.240 nan 0.000 0.434 42 E N 0.776 120.991 120.200 0.025 0.000 2.077 42 E HA -0.206 4.145 4.350 0.001 0.000 0.193 42 E C 1.660 178.256 176.600 -0.007 0.000 0.989 42 E CA 1.303 57.702 56.400 -0.001 0.000 0.800 42 E CB -0.044 29.668 29.700 0.019 0.000 0.746 42 E HN 0.310 nan 8.360 nan 0.000 0.452 43 D N -0.132 120.284 120.400 0.027 0.000 2.117 43 D HA -0.169 4.471 4.640 0.001 0.000 0.197 43 D C 1.582 177.893 176.300 0.019 0.000 0.987 43 D CA 0.894 54.907 54.000 0.023 0.000 0.829 43 D CB -0.428 40.399 40.800 0.044 0.000 0.961 43 D HN 0.253 nan 8.370 nan 0.000 0.460 44 F N 1.152 121.059 119.950 -0.071 0.000 2.095 44 F HA -0.216 4.311 4.527 0.001 0.000 0.298 44 F C 2.025 177.745 175.800 -0.133 0.000 1.104 44 F CA 1.218 59.167 58.000 -0.086 0.000 1.232 44 F CB -0.009 38.944 39.000 -0.079 0.000 0.987 44 F HN -0.144 nan 8.300 nan 0.000 0.475 45 I N 0.170 120.556 120.570 -0.307 0.000 2.142 45 I HA -0.236 3.934 4.170 0.001 0.000 0.240 45 I C 2.500 178.420 176.117 -0.329 0.000 1.078 45 I CA 1.246 62.291 61.300 -0.425 0.000 1.343 45 I CB -1.572 36.258 38.000 -0.285 0.000 1.046 45 I HN 0.093 nan 8.210 nan 0.000 0.405 46 V N 1.534 121.331 119.914 -0.195 0.000 2.358 46 V HA -0.217 3.904 4.120 0.001 0.000 0.246 46 V C 2.160 178.162 176.094 -0.154 0.000 1.047 46 V CA 1.682 63.899 62.300 -0.138 0.000 1.035 46 V CB -0.702 31.077 31.823 -0.073 0.000 0.658 46 V HN 0.422 nan 8.190 nan 0.000 0.452 47 N N -0.531 118.072 118.700 -0.162 0.000 2.333 47 N HA -0.051 4.690 4.740 0.001 0.000 0.178 47 N C 1.759 177.159 175.510 -0.185 0.000 1.018 47 N CA 0.880 53.851 53.050 -0.132 0.000 0.882 47 N CB 0.044 38.486 38.487 -0.076 0.000 0.984 47 N HN 0.468 nan 8.380 nan 0.000 0.434 48 E N -0.229 119.774 120.200 -0.329 0.000 2.290 48 E HA 0.158 4.509 4.350 0.001 0.000 0.199 48 E C 1.947 178.278 176.600 -0.449 0.000 0.912 48 E CA 0.242 56.411 56.400 -0.385 0.000 0.924 48 E CB 0.154 29.542 29.700 -0.521 0.000 0.901 48 E HN 0.014 nan 8.360 nan 0.000 0.487 49 V N 1.672 121.238 119.914 -0.581 0.000 2.492 49 V HA -0.039 4.081 4.120 0.001 0.000 0.241 49 V C 2.482 178.386 176.094 -0.317 0.000 1.041 49 V CA 0.737 62.719 62.300 -0.529 0.000 1.057 49 V CB -0.366 31.080 31.823 -0.627 0.000 0.711 49 V HN 0.127 nan 8.190 nan 0.000 0.468 50 L N 0.243 121.318 121.223 -0.247 0.000 2.042 50 L HA -0.132 4.209 4.340 0.001 0.000 0.210 50 L C 0.031 176.830 176.870 -0.118 0.000 1.076 50 L CA 1.746 56.494 54.840 -0.154 0.000 0.749 50 L CB -2.006 39.981 42.059 -0.120 0.000 0.893 50 L HN 0.368 nan 8.230 nan 0.000 0.432 51 P HA -0.169 nan 4.420 nan 0.000 0.221 51 P C 1.010 178.315 177.300 0.008 0.000 1.145 51 P CA 1.321 64.388 63.100 -0.055 0.000 0.795 51 P CB 0.058 31.724 31.700 -0.057 0.000 0.775 52 E N -1.842 118.346 120.200 -0.019 0.000 2.481 52 E HA 0.052 4.403 4.350 0.001 0.000 0.198 52 E C 1.478 178.103 176.600 0.042 0.000 1.027 52 E CA -0.231 56.233 56.400 0.108 0.000 0.900 52 E CB -0.294 29.406 29.700 0.001 0.000 0.993 52 E HN 0.091 nan 8.360 nan 0.000 0.482 53 L N 2.135 123.316 121.223 -0.070 0.000 2.079 53 L HA -0.208 4.132 4.340 0.001 0.000 0.210 53 L C 2.296 179.114 176.870 -0.088 0.000 1.081 53 L CA 1.894 56.687 54.840 -0.077 0.000 0.752 53 L CB -0.284 41.730 42.059 -0.075 0.000 0.896 53 L HN 0.115 nan 8.230 nan 0.000 0.433 54 E N -1.408 118.674 120.200 -0.196 0.000 2.118 54 E HA -0.278 4.072 4.350 0.001 0.000 0.195 54 E C 2.056 178.447 176.600 -0.347 0.000 0.992 54 E CA 1.688 57.898 56.400 -0.317 0.000 0.804 54 E CB -0.279 29.137 29.700 -0.474 0.000 0.741 54 E HN 0.668 nan 8.360 nan 0.000 0.458 55 Y N 0.698 120.963 120.300 -0.059 0.000 2.286 55 Y HA -0.047 4.503 4.550 0.001 0.000 0.293 55 Y C 2.367 178.232 175.900 -0.058 0.000 1.124 55 Y CA 0.707 58.770 58.100 -0.062 0.000 1.178 55 Y CB -0.279 38.142 38.460 -0.065 0.000 1.010 55 Y HN 0.007 nan 8.280 nan 0.000 0.536 56 L N -0.178 121.101 121.223 0.094 0.000 2.046 56 L HA -0.191 4.149 4.340 0.001 0.000 0.208 56 L C 2.202 179.131 176.870 0.099 0.000 1.077 56 L CA 1.352 56.246 54.840 0.090 0.000 0.747 56 L CB -0.523 41.596 42.059 0.101 0.000 0.896 56 L HN 0.237 nan 8.230 nan 0.000 0.432 57 E N 0.389 120.622 120.200 0.055 0.000 2.268 57 E HA -0.195 4.156 4.350 0.001 0.000 0.195 57 E C 1.597 178.190 176.600 -0.013 0.000 0.995 57 E CA 0.918 57.352 56.400 0.056 0.000 0.836 57 E CB -0.081 29.617 29.700 -0.004 0.000 0.763 57 E HN 0.629 nan 8.360 nan 0.000 0.491 58 Q N -0.489 119.278 119.800 -0.055 0.000 2.228 58 Q HA 0.101 4.442 4.340 0.001 0.000 0.211 58 Q C -0.608 175.310 176.000 -0.136 0.000 0.890 58 Q CA -0.079 55.643 55.803 -0.136 0.000 0.953 58 Q CB -0.018 28.672 28.738 -0.080 0.000 1.053 58 Q HN 0.412 nan 8.270 nan 0.000 0.471 59 H N -1.101 117.783 119.070 -0.311 0.000 2.969 59 H HA -0.139 4.417 4.556 0.001 0.000 0.269 59 H C -0.727 174.076 175.328 -0.875 0.000 1.230 59 H CA -0.120 55.396 56.048 -0.887 0.000 1.123 59 H CB -1.089 28.294 29.762 -0.631 0.000 1.289 59 H HN 0.430 nan 8.280 nan 0.000 0.364 60 E N 0.939 120.968 120.200 -0.284 0.000 1.999 60 E HA -0.002 4.348 4.350 0.001 0.000 0.296 60 E C 0.297 176.865 176.600 -0.053 0.000 1.187 60 E CA -0.374 55.945 56.400 -0.135 0.000 1.229 60 E CB -0.040 29.653 29.700 -0.012 0.000 1.131 60 E HN 0.343 nan 8.360 nan 0.000 0.478 61 F N 0.736 120.776 119.950 0.149 0.000 2.269 61 F HA -0.170 4.358 4.527 0.001 0.000 0.301 61 F C 1.798 177.612 175.800 0.023 0.000 1.082 61 F CA 0.721 58.801 58.000 0.134 0.000 1.360 61 F CB -0.288 38.881 39.000 0.282 0.000 1.041 61 F HN 0.259 nan 8.300 nan 0.000 0.512 62 D N 0.173 120.684 120.400 0.185 0.000 2.158 62 D HA -0.170 4.470 4.640 0.001 0.000 0.197 62 D C 2.330 178.647 176.300 0.029 0.000 0.995 62 D CA 1.168 55.218 54.000 0.084 0.000 0.846 62 D CB -0.195 40.638 40.800 0.056 0.000 0.941 62 D HN 0.247 nan 8.370 nan 0.000 0.456 63 R N 0.057 120.572 120.500 0.025 0.000 2.075 63 R HA -0.008 4.332 4.340 0.001 0.000 0.232 63 R C 2.447 178.740 176.300 -0.011 0.000 1.126 63 R CA 1.150 57.242 56.100 -0.012 0.000 0.963 63 R CB -0.212 30.071 30.300 -0.028 0.000 0.858 63 R HN 0.029 nan 8.270 nan 0.000 0.435 64 S N 0.453 116.175 115.700 0.037 0.000 2.370 64 S HA -0.122 4.348 4.470 0.001 0.000 0.226 64 S C 2.122 176.715 174.600 -0.012 0.000 1.033 64 S CA 1.354 59.609 58.200 0.091 0.000 1.011 64 S CB -0.207 63.061 63.200 0.113 0.000 0.852 64 S HN 0.073 nan 8.310 nan 0.000 0.457 65 V N 1.814 121.624 119.914 -0.173 0.000 2.307 65 V HA -0.144 3.976 4.120 0.001 0.000 0.245 65 V C 2.576 178.649 176.094 -0.035 0.000 1.045 65 V CA 1.668 63.855 62.300 -0.188 0.000 1.024 65 V CB -0.592 31.140 31.823 -0.152 0.000 0.651 65 V HN 0.380 nan 8.190 nan 0.000 0.449 66 R N -0.269 120.229 120.500 -0.003 0.000 2.091 66 R HA -0.155 4.185 4.340 0.001 0.000 0.238 66 R C 2.279 178.633 176.300 0.089 0.000 1.136 66 R CA 1.718 57.835 56.100 0.029 0.000 0.959 66 R CB -0.337 29.971 30.300 0.012 0.000 0.856 66 R HN 0.453 nan 8.270 nan 0.000 0.437 67 L N 0.519 121.814 121.223 0.119 0.000 2.093 67 L HA -0.178 4.163 4.340 0.001 0.000 0.208 67 L C 2.454 179.604 176.870 0.466 0.000 1.085 67 L CA 0.925 55.927 54.840 0.270 0.000 0.755 67 L CB -0.317 41.769 42.059 0.046 0.000 0.904 67 L HN 0.237 nan 8.230 nan 0.000 0.435 68 L N -0.369 121.079 121.223 0.375 0.000 2.017 68 L HA -0.226 4.115 4.340 0.001 0.000 0.208 68 L C 2.657 179.578 176.870 0.086 0.000 1.073 68 L CA 1.420 56.407 54.840 0.245 0.000 0.745 68 L CB -0.427 41.654 42.059 0.037 0.000 0.894 68 L HN 0.193 nan 8.230 nan 0.000 0.432 69 K N -0.022 120.409 120.400 0.050 0.000 2.032 69 K HA -0.223 4.098 4.320 0.001 0.000 0.209 69 K C 2.007 178.624 176.600 0.028 0.000 1.048 69 K CA 1.656 57.956 56.287 0.021 0.000 0.927 69 K CB -0.151 32.360 32.500 0.018 0.000 0.712 69 K HN 0.350 nan 8.250 nan 0.000 0.441 70 E N 0.370 120.618 120.200 0.079 0.000 2.077 70 E HA -0.200 4.150 4.350 0.001 0.000 0.193 70 E C 2.071 178.604 176.600 -0.112 0.000 0.989 70 E CA 1.090 57.535 56.400 0.075 0.000 0.800 70 E CB -0.126 29.727 29.700 0.255 0.000 0.746 70 E HN 0.351 nan 8.360 nan 0.000 0.452 71 A N 1.104 123.759 122.820 -0.276 0.000 1.902 71 A HA -0.131 4.189 4.320 0.001 0.000 0.217 71 A C 2.426 179.885 177.584 -0.208 0.000 1.181 71 A CA 1.753 53.441 52.037 -0.581 0.000 0.623 71 A CB -1.187 17.604 19.000 -0.349 0.000 0.818 71 A HN 0.378 nan 8.150 nan 0.000 0.443 72 G N -0.408 108.344 108.800 -0.080 0.000 2.440 72 G HA2 -0.244 3.717 3.960 0.001 0.000 0.218 72 G HA3 -0.244 3.717 3.960 0.001 0.000 0.218 72 G C 1.389 176.270 174.900 -0.032 0.000 1.154 72 G CA 1.013 46.094 45.100 -0.031 0.000 0.767 72 G HN 0.674 nan 8.290 nan 0.000 0.552 73 E N -0.084 120.093 120.200 -0.039 0.000 2.204 73 E HA -0.012 4.338 4.350 0.001 0.000 0.195 73 E C 2.227 178.808 176.600 -0.030 0.000 0.990 73 E CA 0.356 56.743 56.400 -0.022 0.000 0.821 73 E CB -0.137 29.558 29.700 -0.008 0.000 0.750 73 E HN 0.408 nan 8.360 nan 0.000 0.477 74 L N -0.433 120.750 121.223 -0.067 0.000 2.599 74 L HA 0.118 4.459 4.340 0.001 0.000 0.230 74 L C 1.285 178.135 176.870 -0.034 0.000 1.141 74 L CA 0.326 55.130 54.840 -0.059 0.000 0.877 74 L CB 0.059 42.051 42.059 -0.111 0.000 1.009 74 L HN 0.260 nan 8.230 nan 0.000 0.447 75 G N 0.046 108.832 108.800 -0.023 0.000 2.136 75 G HA2 -0.272 3.688 3.960 0.001 0.000 0.242 75 G HA3 -0.272 3.688 3.960 0.001 0.000 0.242 75 G C 0.636 175.548 174.900 0.020 0.000 0.989 75 G CA 0.198 45.299 45.100 0.002 0.000 0.682 75 G HN 0.336 nan 8.290 nan 0.000 0.522 76 L N -0.615 120.618 121.223 0.016 0.000 2.567 76 L HA 0.342 4.682 4.340 0.001 0.000 0.225 76 L C 2.273 179.239 176.870 0.161 0.000 1.119 76 L CA 0.241 55.135 54.840 0.089 0.000 0.871 76 L CB -0.048 42.063 42.059 0.087 0.000 1.036 76 L HN 0.286 nan 8.230 nan 0.000 0.459 77 L N -0.762 120.516 121.223 0.092 0.000 2.640 77 L HA 0.259 4.600 4.340 0.001 0.000 0.230 77 L C 1.513 178.414 176.870 0.052 0.000 1.123 77 L CA 0.326 55.218 54.840 0.086 0.000 0.900 77 L CB 0.158 42.270 42.059 0.087 0.000 1.146 77 L HN 0.221 nan 8.230 nan 0.000 0.484 78 G N -1.017 107.808 108.800 0.040 0.000 3.735 78 G HA2 0.295 4.255 3.960 0.001 0.000 0.283 78 G HA3 0.295 4.255 3.960 0.001 0.000 0.283 78 G C 1.278 176.188 174.900 0.018 0.000 1.007 78 G CA 0.595 45.710 45.100 0.026 0.000 0.821 78 G HN 0.205 nan 8.290 nan 0.000 0.505 79 A N 0.734 123.566 122.820 0.020 0.000 1.933 79 A HA 0.002 4.323 4.320 0.001 0.000 0.218 79 A C 1.700 179.284 177.584 0.001 0.000 1.175 79 A CA 1.589 53.636 52.037 0.017 0.000 0.628 79 A CB -0.022 18.998 19.000 0.033 0.000 0.814 79 A HN 0.192 nan 8.150 nan 0.000 0.444 80 D N -0.800 119.593 120.400 -0.012 0.000 2.340 80 D HA 0.206 4.847 4.640 0.001 0.000 0.217 80 D C -0.311 175.985 176.300 -0.006 0.000 1.081 80 D CA 0.223 54.212 54.000 -0.018 0.000 0.842 80 D CB 0.537 41.320 40.800 -0.029 0.000 0.934 80 D HN 0.137 nan 8.370 nan 0.000 0.511 81 V N 2.490 122.409 119.914 0.008 0.000 2.394 81 V HA 0.250 4.371 4.120 0.001 0.000 0.282 81 V C -2.134 173.998 176.094 0.064 0.000 1.031 81 V CA -1.886 60.441 62.300 0.044 0.000 0.881 81 V CB 1.811 33.662 31.823 0.045 0.000 0.982 81 V HN -0.155 nan 8.190 nan 0.000 0.451 82 P HA 0.080 nan 4.420 nan 0.000 0.267 82 P C 0.846 178.151 177.300 0.009 0.000 1.200 82 P CA 0.106 63.235 63.100 0.049 0.000 0.772 82 P CB 0.664 32.401 31.700 0.062 0.000 0.855 83 E N 2.085 122.262 120.200 -0.040 0.000 2.085 83 E HA -0.244 4.107 4.350 0.001 0.000 0.194 83 E C 1.562 178.107 176.600 -0.093 0.000 0.994 83 E CA 1.186 57.557 56.400 -0.048 0.000 0.801 83 E CB -0.093 29.577 29.700 -0.049 0.000 0.743 83 E HN 0.639 nan 8.360 nan 0.000 0.453 84 E N 0.418 120.493 120.200 -0.208 0.000 2.401 84 E HA -0.190 4.161 4.350 0.001 0.000 0.199 84 E C 0.713 177.095 176.600 -0.364 0.000 1.023 84 E CA 1.001 57.205 56.400 -0.327 0.000 0.859 84 E CB -0.192 29.232 29.700 -0.461 0.000 0.780 84 E HN 0.461 nan 8.360 nan 0.000 0.523 85 Y N -0.030 120.266 120.300 -0.006 0.000 2.555 85 Y HA 0.423 4.973 4.550 0.001 0.000 0.259 85 Y C 1.617 177.517 175.900 -0.001 0.000 1.179 85 Y CA -0.120 57.978 58.100 -0.003 0.000 1.230 85 Y CB 1.060 39.519 38.460 -0.002 0.000 1.146 85 Y HN 0.211 nan 8.280 nan 0.000 0.526 86 G N -0.772 108.086 108.800 0.096 0.000 2.176 86 G HA2 -0.214 3.746 3.960 0.001 0.000 0.232 86 G HA3 -0.214 3.746 3.960 0.001 0.000 0.232 86 G C 0.833 175.765 174.900 0.053 0.000 0.986 86 G CA -0.149 44.990 45.100 0.065 0.000 0.643 86 G HN 0.731 nan 8.290 nan 0.000 0.522 87 G N -0.071 108.765 108.800 0.061 0.000 2.494 87 G HA2 0.640 4.600 3.960 0.001 0.000 0.270 87 G HA3 0.640 4.600 3.960 0.001 0.000 0.270 87 G C 1.133 176.046 174.900 0.022 0.000 1.423 87 G CA 0.002 45.127 45.100 0.042 0.000 1.055 87 G HN 1.202 nan 8.290 nan 0.000 0.536 88 I N -3.792 116.788 120.570 0.016 0.000 4.240 88 I HA 0.463 4.634 4.170 0.001 0.000 0.331 88 I C 1.126 177.244 176.117 0.002 0.000 1.381 88 I CA 0.293 61.598 61.300 0.008 0.000 1.136 88 I CB 0.478 38.484 38.000 0.010 0.000 1.137 88 I HN 0.807 nan 8.210 nan 0.000 0.411 89 G N 3.405 112.207 108.800 0.003 0.000 2.370 89 G HA2 -0.223 3.737 3.960 0.001 0.000 0.293 89 G HA3 -0.223 3.737 3.960 0.001 0.000 0.293 89 G C -0.184 174.710 174.900 -0.010 0.000 0.992 89 G CA 0.421 45.517 45.100 -0.006 0.000 1.247 89 G HN 0.460 nan 8.290 nan 0.000 0.505 90 L N -0.366 120.854 121.223 -0.006 0.000 2.448 90 L HA 0.432 4.773 4.340 0.001 0.000 0.258 90 L C 1.022 177.879 176.870 -0.021 0.000 1.104 90 L CA -1.182 53.657 54.840 -0.000 0.000 0.800 90 L CB 0.361 42.431 42.059 0.019 0.000 1.241 90 L HN 0.127 nan 8.230 nan 0.000 0.472 91 D N 0.477 120.874 120.400 -0.005 0.000 2.443 91 D HA -0.051 4.589 4.640 0.001 0.000 0.234 91 D C 0.856 177.095 176.300 -0.101 0.000 1.172 91 D CA 0.176 54.153 54.000 -0.038 0.000 0.878 91 D CB 0.854 41.698 40.800 0.074 0.000 1.204 91 D HN 0.305 nan 8.370 nan 0.000 0.453 92 K N 1.631 121.904 120.400 -0.212 0.000 2.148 92 K HA -0.053 4.268 4.320 0.001 0.000 0.204 92 K C 1.924 178.439 176.600 -0.141 0.000 1.050 92 K CA 0.463 56.608 56.287 -0.236 0.000 0.942 92 K CB -0.354 31.831 32.500 -0.526 0.000 0.724 92 K HN 0.262 nan 8.250 nan 0.000 0.446 93 V N 1.398 121.186 119.914 -0.211 0.000 2.295 93 V HA -0.224 3.896 4.120 0.001 0.000 0.246 93 V C 2.294 178.269 176.094 -0.198 0.000 1.049 93 V CA 1.847 64.003 62.300 -0.240 0.000 1.024 93 V CB -0.565 30.892 31.823 -0.610 0.000 0.648 93 V HN 0.235 nan 8.190 nan 0.000 0.447 94 S N 0.932 116.549 115.700 -0.138 0.000 2.359 94 S HA -0.212 4.258 4.470 0.001 0.000 0.224 94 S C 2.220 176.826 174.600 0.011 0.000 1.035 94 S CA 1.855 60.042 58.200 -0.021 0.000 1.018 94 S CB -0.465 62.773 63.200 0.063 0.000 0.876 94 S HN 0.819 nan 8.310 nan 0.000 0.448 95 S N 1.912 117.621 115.700 0.015 0.000 2.447 95 S HA 0.117 4.588 4.470 0.001 0.000 0.233 95 S C 1.901 176.548 174.600 0.078 0.000 1.006 95 S CA 0.767 58.995 58.200 0.048 0.000 0.957 95 S CB -0.380 62.837 63.200 0.028 0.000 0.773 95 S HN 0.483 nan 8.310 nan 0.000 0.507 96 A N 1.962 124.837 122.820 0.091 0.000 1.897 96 A HA 0.243 4.564 4.320 0.001 0.000 0.215 96 A C 2.267 179.948 177.584 0.162 0.000 1.181 96 A CA 1.105 53.219 52.037 0.128 0.000 0.620 96 A CB -0.792 18.284 19.000 0.126 0.000 0.821 96 A HN 0.524 nan 8.150 nan 0.000 0.443 97 L N -0.432 120.873 121.223 0.137 0.000 2.083 97 L HA -0.186 4.154 4.340 0.001 0.000 0.209 97 L C 2.444 179.389 176.870 0.126 0.000 1.083 97 L CA 1.155 56.060 54.840 0.109 0.000 0.752 97 L CB -0.475 41.533 42.059 -0.084 0.000 0.899 97 L HN 0.395 nan 8.230 nan 0.000 0.433 98 I N -0.264 120.384 120.570 0.129 0.000 2.163 98 I HA -0.332 3.838 4.170 0.001 0.000 0.243 98 I C 2.804 179.078 176.117 0.262 0.000 1.085 98 I CA 1.328 62.745 61.300 0.194 0.000 1.347 98 I CB -0.533 37.580 38.000 0.189 0.000 1.044 98 I HN 0.217 nan 8.210 nan 0.000 0.408 99 A N 0.147 123.084 122.820 0.196 0.000 1.908 99 A HA -0.294 4.027 4.320 0.001 0.000 0.218 99 A C 2.341 180.045 177.584 0.200 0.000 1.181 99 A CA 2.099 54.245 52.037 0.181 0.000 0.627 99 A CB -0.728 18.328 19.000 0.094 0.000 0.818 99 A HN 0.530 nan 8.150 nan 0.000 0.445 100 E N -0.437 119.875 120.200 0.187 0.000 2.077 100 E HA -0.225 4.125 4.350 0.001 0.000 0.193 100 E C 1.686 178.388 176.600 0.171 0.000 0.989 100 E CA 1.298 57.810 56.400 0.187 0.000 0.800 100 E CB -0.018 29.832 29.700 0.250 0.000 0.746 100 E HN 0.368 nan 8.360 nan 0.000 0.452 101 K N -0.012 120.487 120.400 0.165 0.000 2.155 101 K HA -0.085 4.235 4.320 0.001 0.000 0.203 101 K C 1.904 178.553 176.600 0.081 0.000 1.052 101 K CA 0.624 56.975 56.287 0.107 0.000 0.948 101 K CB -0.536 32.007 32.500 0.070 0.000 0.728 101 K HN 0.188 nan 8.250 nan 0.000 0.448 102 F N 2.425 122.401 119.950 0.043 0.000 2.250 102 F HA -0.231 4.296 4.527 0.001 0.000 0.301 102 F C 2.504 178.357 175.800 0.089 0.000 1.077 102 F CA 1.630 59.657 58.000 0.046 0.000 1.348 102 F CB -0.346 38.615 39.000 -0.066 0.000 1.040 102 F HN 0.084 nan 8.300 nan 0.000 0.509 103 S N -0.081 115.757 115.700 0.231 0.000 2.442 103 S HA -0.261 4.210 4.470 0.001 0.000 0.236 103 S C 2.027 176.706 174.600 0.130 0.000 1.007 103 S CA 0.970 59.275 58.200 0.176 0.000 0.965 103 S CB -0.562 62.720 63.200 0.137 0.000 0.773 103 S HN 0.355 nan 8.310 nan 0.000 0.504 104 R N 2.255 122.811 120.500 0.094 0.000 2.200 104 R HA 0.083 4.423 4.340 0.001 0.000 0.234 104 R C 1.520 177.856 176.300 0.060 0.000 1.127 104 R CA 1.301 57.434 56.100 0.056 0.000 0.989 104 R CB -0.827 29.482 30.300 0.015 0.000 0.869 104 R HN 0.519 nan 8.270 nan 0.000 0.459 105 A N -0.785 122.103 122.820 0.113 0.000 2.577 105 A HA 0.504 4.824 4.320 0.001 0.000 0.280 105 A C 1.038 178.750 177.584 0.213 0.000 1.331 105 A CA 0.167 52.292 52.037 0.148 0.000 0.935 105 A CB -0.648 18.490 19.000 0.231 0.000 1.082 105 A HN 0.547 nan 8.150 nan 0.000 0.525 106 G N 0.201 109.102 108.800 0.168 0.000 2.611 106 G HA2 -0.232 3.728 3.960 0.001 0.000 0.301 106 G HA3 -0.232 3.728 3.960 0.001 0.000 0.301 106 G C 1.373 176.403 174.900 0.216 0.000 1.233 106 G CA 0.328 45.525 45.100 0.161 0.000 0.993 106 G HN 1.347 nan 8.290 nan 0.000 0.553 107 G N -0.799 108.134 108.800 0.222 0.000 2.470 107 G HA2 0.113 4.073 3.960 0.001 0.000 0.220 107 G HA3 0.113 4.073 3.960 0.001 0.000 0.220 107 G C 1.594 176.685 174.900 0.319 0.000 1.121 107 G CA 1.510 46.759 45.100 0.248 0.000 0.766 107 G HN 0.738 nan 8.290 nan 0.000 0.553 108 F N 2.246 122.324 119.950 0.213 0.000 2.365 108 F HA 0.164 4.692 4.527 0.001 0.000 0.300 108 F C 2.581 178.581 175.800 0.333 0.000 1.090 108 F CA 0.663 58.821 58.000 0.264 0.000 1.408 108 F CB -0.009 39.138 39.000 0.245 0.000 1.060 108 F HN 0.207 nan 8.300 nan 0.000 0.534 109 A N 0.461 123.480 122.820 0.332 0.000 1.933 109 A HA -0.131 4.189 4.320 0.001 0.000 0.218 109 A C 2.143 179.775 177.584 0.080 0.000 1.175 109 A CA 1.644 53.833 52.037 0.252 0.000 0.628 109 A CB -0.829 18.334 19.000 0.272 0.000 0.814 109 A HN 0.322 nan 8.150 nan 0.000 0.444 110 I N 0.190 120.820 120.570 0.099 0.000 2.252 110 I HA -0.165 4.006 4.170 0.001 0.000 0.245 110 I C 2.506 178.605 176.117 -0.029 0.000 1.102 110 I CA 1.871 63.194 61.300 0.037 0.000 1.385 110 I CB -2.151 35.923 38.000 0.123 0.000 1.064 110 I HN 0.225 nan 8.210 nan 0.000 0.414 111 T N 0.271 114.823 114.554 -0.003 0.000 2.597 111 T HA -0.284 4.066 4.350 0.001 0.000 0.267 111 T C 1.948 176.554 174.700 -0.158 0.000 1.053 111 T CA 2.030 64.111 62.100 -0.032 0.000 1.165 111 T CB -0.652 68.197 68.868 -0.032 0.000 0.863 111 T HN 0.428 nan 8.240 nan 0.000 0.427 112 H N 0.796 119.593 119.070 -0.455 0.000 2.290 112 H HA -0.101 4.455 4.556 0.001 0.000 0.298 112 H C 2.528 177.643 175.328 -0.356 0.000 1.087 112 H CA 1.923 57.637 56.048 -0.558 0.000 1.291 112 H CB -0.766 28.318 29.762 -1.130 0.000 1.369 112 H HN 0.434 nan 8.280 nan 0.000 0.492 113 G N 0.064 108.676 108.800 -0.313 0.000 2.418 113 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 113 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 113 G C 1.955 176.677 174.900 -0.296 0.000 1.158 113 G CA 1.152 46.076 45.100 -0.294 0.000 0.771 113 G HN 0.593 nan 8.290 nan 0.000 0.545 114 A N 0.262 122.945 122.820 -0.229 0.000 1.930 114 A HA -0.053 4.268 4.320 0.001 0.000 0.217 114 A C 2.062 179.534 177.584 -0.187 0.000 1.175 114 A CA 2.053 53.970 52.037 -0.200 0.000 0.627 114 A CB -0.652 18.267 19.000 -0.136 0.000 0.815 114 A HN 0.568 nan 8.150 nan 0.000 0.443 115 H N 0.185 119.092 119.070 -0.272 0.000 2.307 115 H HA -0.067 4.489 4.556 0.001 0.000 0.303 115 H C 1.889 177.044 175.328 -0.288 0.000 1.073 115 H CA 2.540 58.435 56.048 -0.254 0.000 1.338 115 H CB -0.145 29.475 29.762 -0.237 0.000 1.389 115 H HN 0.284 nan 8.280 nan 0.000 0.503 116 V N -1.610 118.018 119.914 -0.477 0.000 2.951 116 V HA 0.256 4.377 4.120 0.001 0.000 0.255 116 V C 1.681 177.563 176.094 -0.353 0.000 1.088 116 V CA 1.255 63.275 62.300 -0.466 0.000 1.109 116 V CB -0.392 31.143 31.823 -0.480 0.000 0.724 116 V HN 0.504 nan 8.190 nan 0.000 0.471 117 G N 1.440 110.038 108.800 -0.336 0.000 2.766 117 G HA2 0.154 4.114 3.960 0.001 0.000 0.206 117 G HA3 0.154 4.114 3.960 0.001 0.000 0.206 117 G C 1.295 176.020 174.900 -0.292 0.000 2.072 117 G CA 0.334 45.262 45.100 -0.286 0.000 0.798 117 G HN 0.567 nan 8.290 nan 0.000 0.703 118 I N -0.207 120.153 120.570 -0.351 0.000 2.248 118 I HA -0.025 4.145 4.170 0.001 0.000 0.248 118 I C 2.416 178.377 176.117 -0.261 0.000 1.107 118 I CA 1.998 63.006 61.300 -0.486 0.000 1.373 118 I CB -0.726 36.831 38.000 -0.738 0.000 1.055 118 I HN 0.262 nan 8.210 nan 0.000 0.418 119 G N 0.459 109.146 108.800 -0.189 0.000 2.404 119 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 119 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 119 G C 1.638 176.432 174.900 -0.176 0.000 1.174 119 G CA 0.970 45.990 45.100 -0.133 0.000 0.780 119 G HN 0.481 nan 8.290 nan 0.000 0.537 120 S N -0.172 115.365 115.700 -0.272 0.000 2.475 120 S HA 0.219 4.690 4.470 0.001 0.000 0.224 120 S C 2.210 176.715 174.600 -0.158 0.000 1.042 120 S CA -0.234 57.812 58.200 -0.257 0.000 0.935 120 S CB 0.025 62.996 63.200 -0.382 0.000 0.801 120 S HN 0.229 nan 8.310 nan 0.000 0.509 121 L N 1.692 122.829 121.223 -0.143 0.000 2.191 121 L HA -0.048 4.292 4.340 0.001 0.000 0.212 121 L C -1.096 175.773 176.870 -0.001 0.000 1.103 121 L CA 1.075 55.867 54.840 -0.081 0.000 0.769 121 L CB -1.626 40.385 42.059 -0.080 0.000 0.908 121 L HN 0.203 nan 8.230 nan 0.000 0.438 122 P HA -0.171 nan 4.420 nan 0.000 0.215 122 P C 1.805 179.168 177.300 0.104 0.000 1.153 122 P CA 1.492 64.699 63.100 0.180 0.000 0.853 122 P CB 0.092 31.878 31.700 0.144 0.000 0.788 123 I N -1.289 119.273 120.570 -0.012 0.000 2.202 123 I HA -0.190 3.980 4.170 0.001 0.000 0.242 123 I C 2.214 178.277 176.117 -0.090 0.000 1.091 123 I CA 1.204 62.471 61.300 -0.055 0.000 1.368 123 I CB -0.870 37.078 38.000 -0.087 0.000 1.058 123 I HN -0.196 nan 8.210 nan 0.000 0.410 124 V N 1.190 121.044 119.914 -0.100 0.000 2.282 124 V HA -0.283 3.838 4.120 0.001 0.000 0.249 124 V C 2.265 178.270 176.094 -0.149 0.000 1.057 124 V CA 1.904 64.133 62.300 -0.118 0.000 1.032 124 V CB -0.514 31.261 31.823 -0.080 0.000 0.645 124 V HN 0.386 nan 8.190 nan 0.000 0.447 125 L N -2.359 118.744 121.223 -0.201 0.000 2.253 125 L HA 0.155 4.495 4.340 0.001 0.000 0.205 125 L C 1.619 178.090 176.870 -0.664 0.000 1.078 125 L CA 0.982 55.542 54.840 -0.467 0.000 0.805 125 L CB -0.078 41.592 42.059 -0.648 0.000 0.963 125 L HN 0.281 nan 8.230 nan 0.000 0.459 126 F N -0.203 119.722 119.950 -0.041 0.000 2.683 126 F HA 0.359 4.886 4.527 0.001 0.000 0.306 126 F C 1.220 176.980 175.800 -0.066 0.000 1.102 126 F CA -0.699 57.273 58.000 -0.047 0.000 1.244 126 F CB 0.067 39.039 39.000 -0.046 0.000 1.029 126 F HN -0.150 nan 8.300 nan 0.000 0.545 127 G N 0.662 109.474 108.800 0.020 0.000 2.448 127 G HA2 0.345 4.305 3.960 0.001 0.000 0.285 127 G HA3 0.345 4.305 3.960 0.001 0.000 0.285 127 G C -0.151 174.729 174.900 -0.033 0.000 1.176 127 G CA -0.507 44.581 45.100 -0.020 0.000 0.852 127 G HN 0.263 nan 8.290 nan 0.000 0.530 128 N N -0.253 118.437 118.700 -0.016 0.000 2.418 128 N HA 0.146 4.886 4.740 0.001 0.000 0.283 128 N C 1.049 176.541 175.510 -0.030 0.000 1.267 128 N CA -0.510 52.535 53.050 -0.008 0.000 0.975 128 N CB 0.698 39.193 38.487 0.013 0.000 1.167 128 N HN 0.404 nan 8.380 nan 0.000 0.581 129 E N -0.523 119.681 120.200 0.006 0.000 2.051 129 E HA -0.236 4.115 4.350 0.001 0.000 0.192 129 E C 1.438 178.046 176.600 0.013 0.000 0.991 129 E CA 1.430 57.847 56.400 0.028 0.000 0.799 129 E CB -0.274 29.469 29.700 0.071 0.000 0.748 129 E HN 0.736 nan 8.360 nan 0.000 0.449 130 E N -0.057 120.155 120.200 0.020 0.000 2.058 130 E HA -0.280 4.071 4.350 0.001 0.000 0.194 130 E C 2.060 178.672 176.600 0.021 0.000 0.997 130 E CA 1.464 57.876 56.400 0.020 0.000 0.801 130 E CB -0.053 29.663 29.700 0.027 0.000 0.746 130 E HN 0.399 nan 8.360 nan 0.000 0.450 131 Q N 0.183 120.011 119.800 0.046 0.000 2.046 131 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 131 Q C 2.293 178.343 176.000 0.083 0.000 0.975 131 Q CA 1.475 57.356 55.803 0.129 0.000 0.836 131 Q CB -0.004 28.796 28.738 0.103 0.000 0.896 131 Q HN 0.162 nan 8.270 nan 0.000 0.428 132 K N 0.778 121.123 120.400 -0.092 0.000 2.026 132 K HA -0.115 4.205 4.320 0.001 0.000 0.208 132 K C 1.982 178.460 176.600 -0.203 0.000 1.048 132 K CA 1.095 57.204 56.287 -0.296 0.000 0.929 132 K CB -0.003 32.028 32.500 -0.782 0.000 0.713 132 K HN 0.091 nan 8.250 nan 0.000 0.439 133 K N 0.872 121.226 120.400 -0.076 0.000 2.217 133 K HA -0.123 4.197 4.320 0.001 0.000 0.202 133 K C 2.082 178.669 176.600 -0.021 0.000 1.051 133 K CA 0.845 57.163 56.287 0.051 0.000 0.952 133 K CB 0.047 32.610 32.500 0.104 0.000 0.736 133 K HN 0.082 nan 8.250 nan 0.000 0.453 134 K N 0.307 120.649 120.400 -0.097 0.000 2.031 134 K HA -0.106 4.214 4.320 0.001 0.000 0.205 134 K C 1.627 178.018 176.600 -0.348 0.000 1.049 134 K CA 1.312 57.440 56.287 -0.265 0.000 0.939 134 K CB 0.029 32.281 32.500 -0.413 0.000 0.717 134 K HN 0.082 nan 8.250 nan 0.000 0.438 135 Y N 0.275 120.560 120.300 -0.024 0.000 2.389 135 Y HA 0.069 4.619 4.550 0.001 0.000 0.292 135 Y C 1.910 177.793 175.900 -0.028 0.000 1.117 135 Y CA 0.303 58.386 58.100 -0.028 0.000 1.195 135 Y CB 0.154 38.590 38.460 -0.041 0.000 1.076 135 Y HN -0.065 nan 8.280 nan 0.000 0.548 136 L N 0.084 121.360 121.223 0.088 0.000 2.093 136 L HA -0.104 4.237 4.340 0.001 0.000 0.208 136 L C -0.746 176.167 176.870 0.071 0.000 1.085 136 L CA 0.898 55.771 54.840 0.054 0.000 0.755 136 L CB -1.563 40.500 42.059 0.007 0.000 0.904 136 L HN 0.165 nan 8.230 nan 0.000 0.435 137 P HA -0.155 nan 4.420 nan 0.000 0.217 137 P C 1.829 179.163 177.300 0.055 0.000 1.150 137 P CA 1.354 64.493 63.100 0.064 0.000 0.832 137 P CB 0.138 31.868 31.700 0.049 0.000 0.787 138 L N -1.916 119.341 121.223 0.056 0.000 2.127 138 L HA -0.039 4.302 4.340 0.001 0.000 0.203 138 L C 2.410 179.333 176.870 0.088 0.000 1.080 138 L CA 0.840 55.715 54.840 0.059 0.000 0.768 138 L CB -0.905 41.185 42.059 0.053 0.000 0.924 138 L HN -0.084 nan 8.230 nan 0.000 0.444 139 L N 0.117 121.407 121.223 0.113 0.000 2.079 139 L HA -0.199 4.141 4.340 0.001 0.000 0.210 139 L C 2.812 179.791 176.870 0.182 0.000 1.081 139 L CA 1.225 56.164 54.840 0.165 0.000 0.752 139 L CB -0.708 41.390 42.059 0.065 0.000 0.896 139 L HN 0.262 nan 8.230 nan 0.000 0.433 140 A N -0.277 122.603 122.820 0.099 0.000 2.066 140 A HA -0.143 4.178 4.320 0.001 0.000 0.218 140 A C 2.258 179.887 177.584 0.075 0.000 1.157 140 A CA 1.845 53.929 52.037 0.079 0.000 0.670 140 A CB -0.608 18.426 19.000 0.058 0.000 0.804 140 A HN 0.521 nan 8.150 nan 0.000 0.453 141 T N -5.239 109.353 114.554 0.064 0.000 3.040 141 T HA 0.405 4.756 4.350 0.001 0.000 0.250 141 T C 1.375 176.084 174.700 0.016 0.000 1.058 141 T CA 1.065 63.186 62.100 0.035 0.000 0.988 141 T CB 0.155 69.038 68.868 0.026 0.000 0.993 141 T HN 1.602 nan 8.240 nan 0.000 0.519 142 G N 1.684 110.497 108.800 0.022 0.000 2.153 142 G HA2 -0.329 3.631 3.960 0.001 0.000 0.252 142 G HA3 -0.329 3.631 3.960 0.001 0.000 0.252 142 G C 0.498 175.373 174.900 -0.042 0.000 0.994 142 G CA 0.597 45.649 45.100 -0.080 0.000 0.698 142 G HN 0.616 nan 8.290 nan 0.000 0.521 143 E N -0.487 119.716 120.200 0.005 0.000 2.150 143 E HA 0.005 4.356 4.350 0.001 0.000 0.193 143 E C 1.045 177.658 176.600 0.022 0.000 0.985 143 E CA 1.048 57.456 56.400 0.013 0.000 0.814 143 E CB 0.030 29.743 29.700 0.022 0.000 0.752 143 E HN 0.417 nan 8.360 nan 0.000 0.466 144 K N -0.193 120.232 120.400 0.042 0.000 2.318 144 K HA 0.494 4.815 4.320 0.001 0.000 0.249 144 K C -1.210 175.437 176.600 0.078 0.000 0.942 144 K CA -0.437 55.885 56.287 0.059 0.000 0.808 144 K CB 1.879 34.431 32.500 0.085 0.000 1.189 144 K HN -0.062 nan 8.250 nan 0.000 0.428 145 L N 1.559 122.818 121.223 0.060 0.000 2.346 145 L HA 0.804 5.144 4.340 0.001 0.000 0.274 145 L C -0.443 176.485 176.870 0.096 0.000 1.007 145 L CA -1.173 53.715 54.840 0.081 0.000 0.818 145 L CB 2.102 44.190 42.059 0.048 0.000 1.284 145 L HN 0.683 nan 8.230 nan 0.000 0.424 146 A N 1.923 124.901 122.820 0.265 0.000 2.330 146 A HA 0.983 5.304 4.320 0.001 0.000 0.329 146 A C -0.765 176.702 177.584 -0.194 0.000 1.135 146 A CA -0.349 51.635 52.037 -0.088 0.000 0.817 146 A CB 1.726 20.619 19.000 -0.178 0.000 1.269 146 A HN 0.800 nan 8.150 nan 0.000 0.469 147 A N -0.201 122.420 122.820 -0.332 0.000 2.572 147 A HA 0.662 4.982 4.320 0.001 0.000 0.295 147 A C -1.760 175.802 177.584 -0.037 0.000 1.072 147 A CA -0.377 51.511 52.037 -0.249 0.000 0.691 147 A CB 1.025 19.738 19.000 -0.478 0.000 1.291 147 A HN 1.464 nan 8.150 nan 0.000 0.404 148 Y N 1.084 121.342 120.300 -0.069 0.000 2.341 148 Y HA 0.615 5.165 4.550 0.001 0.000 0.338 148 Y C -0.097 175.857 175.900 0.090 0.000 0.965 148 Y CA -0.451 57.653 58.100 0.007 0.000 1.108 148 Y CB 1.722 40.171 38.460 -0.017 0.000 1.180 148 Y HN 0.989 nan 8.280 nan 0.000 0.458 149 A N 7.209 129.907 122.820 -0.202 0.000 2.483 149 A HA 0.499 4.819 4.320 0.001 0.000 0.308 149 A C -0.878 176.629 177.584 -0.128 0.000 1.291 149 A CA -0.412 51.572 52.037 -0.088 0.000 0.774 149 A CB 0.504 19.510 19.000 0.010 0.000 1.134 149 A HN 0.892 nan 8.150 nan 0.000 0.471 150 L N 2.396 123.545 121.223 -0.124 0.000 2.588 150 L HA 0.333 4.673 4.340 0.001 0.000 0.194 150 L C 0.951 177.810 176.870 -0.019 0.000 1.070 150 L CA 1.481 56.267 54.840 -0.091 0.000 0.852 150 L CB -0.096 41.815 42.059 -0.246 0.000 1.199 150 L HN 0.429 nan 8.230 nan 0.000 0.486 151 T N 2.007 116.573 114.554 0.020 0.000 2.932 151 T HA 0.257 4.607 4.350 0.001 0.000 0.312 151 T C -0.230 174.450 174.700 -0.034 0.000 1.071 151 T CA 0.039 62.158 62.100 0.031 0.000 1.128 151 T CB 0.409 69.356 68.868 0.131 0.000 0.984 151 T HN 0.297 nan 8.240 nan 0.000 0.549 152 E N 2.291 122.450 120.200 -0.068 0.000 2.410 152 E HA 0.249 4.600 4.350 0.001 0.000 0.269 152 E C -1.934 174.553 176.600 -0.189 0.000 0.937 152 E CA -2.313 54.013 56.400 -0.124 0.000 0.793 152 E CB 1.572 31.228 29.700 -0.073 0.000 1.314 152 E HN 0.195 nan 8.360 nan 0.000 0.447 153 P HA -0.165 nan 4.420 nan 0.000 0.216 153 P C 1.061 178.281 177.300 -0.134 0.000 1.153 153 P CA 1.487 64.447 63.100 -0.232 0.000 0.858 153 P CB 0.092 31.683 31.700 -0.182 0.000 0.789 154 G N -1.787 106.960 108.800 -0.089 0.000 2.985 154 G HA2 0.072 4.032 3.960 0.001 0.000 0.209 154 G HA3 0.072 4.032 3.960 0.001 0.000 0.209 154 G C -0.101 174.779 174.900 -0.034 0.000 1.165 154 G CA 0.251 45.321 45.100 -0.051 0.000 0.776 154 G HN 0.402 nan 8.290 nan 0.000 0.541 155 S N -1.033 114.646 115.700 -0.036 0.000 2.737 155 S HA 0.653 5.124 4.470 0.001 0.000 0.269 155 S C 0.315 174.918 174.600 0.004 0.000 1.150 155 S CA -0.110 58.081 58.200 -0.015 0.000 1.077 155 S CB 1.478 64.668 63.200 -0.016 0.000 1.075 155 S HN 0.228 nan 8.310 nan 0.000 0.476 156 G N 1.907 110.728 108.800 0.035 0.000 2.534 156 G HA2 0.222 4.183 3.960 0.001 0.000 0.220 156 G HA3 0.222 4.183 3.960 0.001 0.000 0.220 156 G C 1.129 176.067 174.900 0.064 0.000 1.699 156 G CA 0.283 45.437 45.100 0.089 0.000 0.769 156 G HN 0.608 nan 8.290 nan 0.000 0.632 157 S N 0.793 116.531 115.700 0.063 0.000 2.370 157 S HA -0.093 4.378 4.470 0.001 0.000 0.226 157 S C 1.151 175.761 174.600 0.016 0.000 1.033 157 S CA 1.255 59.481 58.200 0.044 0.000 1.011 157 S CB -0.213 63.014 63.200 0.045 0.000 0.852 157 S HN 0.433 nan 8.310 nan 0.000 0.457 158 D N 1.211 121.612 120.400 0.002 0.000 2.608 158 D HA 0.438 5.078 4.640 0.001 0.000 0.224 158 D C 0.844 177.106 176.300 -0.062 0.000 1.123 158 D CA 0.009 53.992 54.000 -0.028 0.000 1.030 158 D CB 0.132 40.917 40.800 -0.024 0.000 1.093 158 D HN 0.184 nan 8.370 nan 0.000 0.497 159 A N 2.802 125.562 122.820 -0.101 0.000 1.969 159 A HA -0.072 4.248 4.320 0.001 0.000 0.218 159 A C 2.047 179.486 177.584 -0.241 0.000 1.169 159 A CA 0.642 52.589 52.037 -0.150 0.000 0.635 159 A CB -0.307 18.561 19.000 -0.221 0.000 0.810 159 A HN 0.601 nan 8.150 nan 0.000 0.445 160 L N -0.531 120.464 121.223 -0.380 0.000 2.610 160 L HA 0.043 4.383 4.340 0.001 0.000 0.232 160 L C 2.049 178.765 176.870 -0.257 0.000 1.149 160 L CA 0.392 54.858 54.840 -0.623 0.000 0.872 160 L CB -0.363 41.331 42.059 -0.609 0.000 0.992 160 L HN 0.443 nan 8.230 nan 0.000 0.447 161 G N 0.190 108.918 108.800 -0.119 0.000 3.181 161 G HA2 0.272 4.232 3.960 0.001 0.000 0.219 161 G HA3 0.272 4.232 3.960 0.001 0.000 0.219 161 G C 0.840 175.748 174.900 0.015 0.000 1.182 161 G CA 0.157 45.232 45.100 -0.042 0.000 0.791 161 G HN 0.348 nan 8.290 nan 0.000 0.537 162 A N 0.345 123.212 122.820 0.078 0.000 2.565 162 A HA 0.294 4.615 4.320 0.001 0.000 0.237 162 A C 1.125 178.757 177.584 0.080 0.000 1.053 162 A CA 0.358 52.461 52.037 0.110 0.000 0.755 162 A CB 0.332 19.471 19.000 0.232 0.000 0.980 162 A HN 0.361 nan 8.150 nan 0.000 0.506 163 K N 0.978 121.398 120.400 0.034 0.000 2.358 163 K HA 0.074 4.395 4.320 0.001 0.000 0.200 163 K C -0.144 176.457 176.600 0.002 0.000 1.030 163 K CA 0.104 56.400 56.287 0.016 0.000 1.097 163 K CB 0.469 32.967 32.500 -0.005 0.000 0.862 163 K HN 0.720 nan 8.250 nan 0.000 0.534 164 T N 2.678 117.231 114.554 -0.000 0.000 2.870 164 T HA 0.044 4.395 4.350 0.001 0.000 0.300 164 T C 0.388 175.074 174.700 -0.023 0.000 0.989 164 T CA 0.129 62.211 62.100 -0.029 0.000 1.139 164 T CB 0.897 69.735 68.868 -0.050 0.000 0.920 164 T HN 0.246 nan 8.240 nan 0.000 0.537 165 T N -0.003 114.527 114.554 -0.040 0.000 2.895 165 T HA 0.781 5.131 4.350 0.001 0.000 0.283 165 T C -0.542 174.114 174.700 -0.072 0.000 1.014 165 T CA -1.063 61.021 62.100 -0.027 0.000 1.037 165 T CB 1.732 70.596 68.868 -0.007 0.000 1.006 165 T HN 0.672 nan 8.240 nan 0.000 0.468 166 A N 2.798 125.590 122.820 -0.045 0.000 2.374 166 A HA 0.853 5.174 4.320 0.001 0.000 0.305 166 A C -0.292 177.363 177.584 0.118 0.000 1.053 166 A CA -1.281 50.718 52.037 -0.063 0.000 0.726 166 A CB 1.268 20.092 19.000 -0.293 0.000 1.229 166 A HN 1.166 nan 8.150 nan 0.000 0.431 167 R N 2.387 122.990 120.500 0.172 0.000 2.604 167 R HA 0.663 5.003 4.340 0.001 0.000 0.281 167 R C -1.688 174.657 176.300 0.074 0.000 1.020 167 R CA -0.768 55.428 56.100 0.161 0.000 0.899 167 R CB 0.997 31.332 30.300 0.059 0.000 1.205 167 R HN 0.497 nan 8.270 nan 0.000 0.450 168 L N 3.607 124.788 121.223 -0.069 0.000 2.540 168 L HA 0.032 4.372 4.340 0.001 0.000 0.276 168 L C 0.308 177.088 176.870 -0.149 0.000 1.212 168 L CA -0.156 54.501 54.840 -0.306 0.000 0.893 168 L CB 0.089 41.970 42.059 -0.297 0.000 1.138 168 L HN 0.798 nan 8.230 nan 0.000 0.491 169 N N 2.976 121.591 118.700 -0.143 0.000 2.424 169 N HA 0.124 4.865 4.740 0.001 0.000 0.257 169 N C 0.793 176.259 175.510 -0.072 0.000 1.250 169 N CA 0.084 53.089 53.050 -0.076 0.000 0.946 169 N CB 0.676 39.137 38.487 -0.042 0.000 1.175 169 N HN 0.606 nan 8.380 nan 0.000 0.477 170 A N 0.838 123.629 122.820 -0.049 0.000 1.940 170 A HA -0.295 4.025 4.320 0.001 0.000 0.221 170 A C 1.700 179.255 177.584 -0.049 0.000 1.190 170 A CA 2.177 54.189 52.037 -0.043 0.000 0.647 170 A CB -0.935 18.046 19.000 -0.031 0.000 0.821 170 A HN 0.832 nan 8.150 nan 0.000 0.457 171 E N -1.356 118.816 120.200 -0.047 0.000 2.274 171 E HA 0.281 4.632 4.350 0.001 0.000 0.194 171 E C 1.296 177.849 176.600 -0.079 0.000 0.996 171 E CA 0.696 57.066 56.400 -0.050 0.000 0.840 171 E CB -0.445 29.236 29.700 -0.032 0.000 0.772 171 E HN 0.936 nan 8.360 nan 0.000 0.491 172 G N 0.906 109.642 108.800 -0.107 0.000 2.246 172 G HA2 -0.307 3.653 3.960 0.001 0.000 0.273 172 G HA3 -0.307 3.653 3.960 0.001 0.000 0.273 172 G C 0.774 175.557 174.900 -0.196 0.000 1.055 172 G CA 0.840 45.843 45.100 -0.162 0.000 0.851 172 G HN 0.424 nan 8.290 nan 0.000 0.500 173 T N -3.983 110.445 114.554 -0.209 0.000 3.044 173 T HA 0.426 4.777 4.350 0.001 0.000 0.260 173 T C 0.477 174.762 174.700 -0.693 0.000 1.019 173 T CA 0.587 62.468 62.100 -0.365 0.000 0.921 173 T CB 0.702 69.382 68.868 -0.312 0.000 1.053 173 T HN 0.652 nan 8.240 nan 0.000 0.533 174 H N -0.595 118.359 119.070 -0.192 0.000 3.068 174 H HA 0.292 4.849 4.556 0.001 0.000 0.342 174 H C -1.679 173.491 175.328 -0.264 0.000 1.284 174 H CA -0.986 54.958 56.048 -0.173 0.000 1.181 174 H CB 1.013 30.687 29.762 -0.147 0.000 1.898 174 H HN 0.109 nan 8.280 nan 0.000 0.540 175 Y N 0.217 120.528 120.300 0.018 0.000 2.320 175 Y HA 0.310 4.861 4.550 0.001 0.000 0.324 175 Y C 0.616 176.441 175.900 -0.125 0.000 1.190 175 Y CA -0.504 57.549 58.100 -0.078 0.000 1.215 175 Y CB 1.279 39.624 38.460 -0.192 0.000 1.221 175 Y HN 0.183 nan 8.280 nan 0.000 0.486 176 V N 5.248 125.182 119.914 0.032 0.000 2.311 176 V HA 0.257 4.377 4.120 0.001 0.000 0.275 176 V C -0.657 175.391 176.094 -0.077 0.000 1.022 176 V CA -0.649 61.626 62.300 -0.041 0.000 0.830 176 V CB 0.504 32.303 31.823 -0.040 0.000 1.012 176 V HN 0.442 nan 8.190 nan 0.000 0.452 177 L N 5.532 126.677 121.223 -0.131 0.000 2.295 177 L HA 0.582 4.922 4.340 0.001 0.000 0.285 177 L C 0.175 176.970 176.870 -0.125 0.000 1.035 177 L CA 0.194 54.929 54.840 -0.175 0.000 0.806 177 L CB 1.263 43.159 42.059 -0.271 0.000 1.214 177 L HN 0.549 nan 8.230 nan 0.000 0.426 178 N N 2.235 120.872 118.700 -0.106 0.000 2.310 178 N HA 0.820 5.560 4.740 0.001 0.000 0.292 178 N C -0.377 175.085 175.510 -0.080 0.000 1.049 178 N CA -0.267 52.733 53.050 -0.084 0.000 0.849 178 N CB 2.642 41.092 38.487 -0.062 0.000 1.532 178 N HN 0.747 nan 8.380 nan 0.000 0.479 179 G N 0.965 109.716 108.800 -0.082 0.000 2.369 179 G HA2 0.038 3.998 3.960 0.001 0.000 0.307 179 G HA3 0.038 3.998 3.960 0.001 0.000 0.307 179 G C -1.883 172.960 174.900 -0.095 0.000 1.327 179 G CA -0.805 44.248 45.100 -0.079 0.000 0.963 179 G HN 0.426 nan 8.290 nan 0.000 0.590 180 E N 0.114 120.257 120.200 -0.095 0.000 2.222 180 E HA 0.530 4.881 4.350 0.001 0.000 0.267 180 E C -0.778 175.754 176.600 -0.113 0.000 0.884 180 E CA -1.026 55.307 56.400 -0.112 0.000 0.764 180 E CB 1.904 31.537 29.700 -0.113 0.000 1.169 180 E HN 0.246 nan 8.360 nan 0.000 0.413 181 K N 2.534 122.860 120.400 -0.122 0.000 2.274 181 K HA 0.284 4.605 4.320 0.001 0.000 0.262 181 K C -0.698 175.832 176.600 -0.116 0.000 0.961 181 K CA -0.550 55.675 56.287 -0.104 0.000 0.833 181 K CB 1.832 34.281 32.500 -0.085 0.000 1.102 181 K HN 0.498 nan 8.250 nan 0.000 0.436 182 Q N 1.935 121.645 119.800 -0.150 0.000 2.245 182 Q HA 0.243 4.583 4.340 0.001 0.000 0.256 182 Q C -0.813 175.152 176.000 -0.060 0.000 0.942 182 Q CA -0.259 55.380 55.803 -0.273 0.000 0.896 182 Q CB 0.822 29.203 28.738 -0.595 0.000 1.272 182 Q HN 0.479 nan 8.270 nan 0.000 0.442 183 W N 3.804 125.121 121.300 0.028 0.000 4.926 183 W HA -0.160 4.500 4.660 0.001 0.000 0.401 183 W C -1.275 175.274 176.519 0.051 0.000 1.555 183 W CA -0.173 57.201 57.345 0.049 0.000 0.877 183 W CB -1.756 27.749 29.460 0.075 0.000 2.743 183 W HN 0.440 nan 8.180 nan 0.000 1.328 184 I N 1.058 121.750 120.570 0.204 0.000 2.297 184 I HA 0.125 4.296 4.170 0.001 0.000 0.291 184 I C 1.370 177.532 176.117 0.075 0.000 1.033 184 I CA -0.448 60.941 61.300 0.148 0.000 1.253 184 I CB 0.205 38.293 38.000 0.146 0.000 1.396 184 I HN -0.221 nan 8.210 nan 0.000 0.476 185 T N 7.109 121.695 114.554 0.053 0.000 2.928 185 T HA 0.059 4.409 4.350 0.001 0.000 0.305 185 T C 0.963 175.564 174.700 -0.165 0.000 1.035 185 T CA 0.387 62.468 62.100 -0.032 0.000 1.145 185 T CB 0.120 68.977 68.868 -0.020 0.000 0.963 185 T HN 0.622 nan 8.240 nan 0.000 0.545 186 N N 0.764 119.256 118.700 -0.346 0.000 2.984 186 N HA -0.176 4.565 4.740 0.001 0.000 0.227 186 N C 1.412 176.342 175.510 -0.967 0.000 0.903 186 N CA 1.183 53.759 53.050 -0.790 0.000 0.995 186 N CB -1.667 36.556 38.487 -0.441 0.000 1.065 186 N HN 0.507 nan 8.380 nan 0.000 0.585 187 S N -0.021 115.382 115.700 -0.495 0.000 2.387 187 S HA -0.146 4.325 4.470 0.001 0.000 0.230 187 S C 2.017 176.434 174.600 -0.305 0.000 1.035 187 S CA 1.495 59.574 58.200 -0.202 0.000 1.014 187 S CB -0.221 62.959 63.200 -0.032 0.000 0.836 187 S HN 0.698 nan 8.310 nan 0.000 0.466 188 A N 0.685 123.156 122.820 -0.581 0.000 1.978 188 A HA -0.036 4.285 4.320 0.001 0.000 0.220 188 A C 1.573 179.050 177.584 -0.178 0.000 1.170 188 A CA 1.607 53.425 52.037 -0.365 0.000 0.636 188 A CB -0.527 18.187 19.000 -0.476 0.000 0.810 188 A HN 0.720 nan 8.150 nan 0.000 0.448 189 F N -3.363 116.517 119.950 -0.117 0.000 2.856 189 F HA 0.692 5.219 4.527 0.001 0.000 0.338 189 F C 0.632 176.372 175.800 -0.101 0.000 1.100 189 F CA -0.955 57.004 58.000 -0.069 0.000 1.150 189 F CB -0.586 38.380 39.000 -0.056 0.000 1.101 189 F HN 0.114 nan 8.300 nan 0.000 0.548 190 A N 1.494 124.145 122.820 -0.281 0.000 2.488 190 A HA 0.209 4.529 4.320 0.001 0.000 0.249 190 A C 0.877 178.316 177.584 -0.241 0.000 1.083 190 A CA 0.160 51.978 52.037 -0.365 0.000 0.768 190 A CB 0.041 18.500 19.000 -0.902 0.000 1.017 190 A HN 0.439 nan 8.150 nan 0.000 0.496 191 D N 1.009 121.319 120.400 -0.151 0.000 2.277 191 D HA 0.087 4.727 4.640 0.001 0.000 0.209 191 D C -0.048 176.199 176.300 -0.088 0.000 0.970 191 D CA 1.089 55.059 54.000 -0.050 0.000 0.874 191 D CB 0.408 41.213 40.800 0.008 0.000 0.982 191 D HN 0.279 nan 8.370 nan 0.000 0.504 192 V N 1.404 121.186 119.914 -0.221 0.000 2.540 192 V HA 0.341 4.461 4.120 0.001 0.000 0.302 192 V C -0.947 174.910 176.094 -0.395 0.000 1.035 192 V CA -0.700 61.467 62.300 -0.220 0.000 0.873 192 V CB 1.779 33.482 31.823 -0.199 0.000 0.992 192 V HN -0.133 nan 8.190 nan 0.000 0.428 193 F N 4.397 124.246 119.950 -0.168 0.000 2.493 193 F HA 0.575 5.102 4.527 0.001 0.000 0.329 193 F C 0.017 175.711 175.800 -0.177 0.000 1.126 193 F CA -0.862 57.050 58.000 -0.147 0.000 0.937 193 F CB 1.751 40.668 39.000 -0.138 0.000 1.146 193 F HN 0.201 nan 8.300 nan 0.000 0.442 194 I N 5.085 125.637 120.570 -0.030 0.000 2.308 194 I HA 0.217 4.387 4.170 0.001 0.000 0.293 194 I C -0.170 175.785 176.117 -0.270 0.000 1.078 194 I CA -0.344 60.855 61.300 -0.168 0.000 1.292 194 I CB 0.318 38.241 38.000 -0.129 0.000 1.423 194 I HN 0.172 nan 8.210 nan 0.000 0.493 195 V N 7.994 127.756 119.914 -0.254 0.000 2.435 195 V HA 0.336 4.457 4.120 0.001 0.000 0.290 195 V C -0.489 175.400 176.094 -0.342 0.000 1.030 195 V CA -0.753 61.417 62.300 -0.217 0.000 0.881 195 V CB 1.529 33.283 31.823 -0.115 0.000 0.983 195 V HN 0.391 nan 8.190 nan 0.000 0.445 196 Y N 2.761 122.925 120.300 -0.226 0.000 2.328 196 Y HA 0.728 5.279 4.550 0.001 0.000 0.337 196 Y C 0.452 176.202 175.900 -0.250 0.000 1.008 196 Y CA -0.176 57.715 58.100 -0.348 0.000 1.129 196 Y CB 1.747 39.918 38.460 -0.482 0.000 1.185 196 Y HN 0.785 nan 8.280 nan 0.000 0.476 197 A N 3.141 125.910 122.820 -0.084 0.000 2.587 197 A HA 0.682 5.002 4.320 0.001 0.000 0.293 197 A C -1.377 176.210 177.584 0.005 0.000 1.087 197 A CA -1.234 50.790 52.037 -0.022 0.000 0.692 197 A CB 1.457 20.409 19.000 -0.079 0.000 1.291 197 A HN 0.686 nan 8.150 nan 0.000 0.407 198 K N 2.067 122.501 120.400 0.057 0.000 2.264 198 K HA 0.368 4.689 4.320 0.001 0.000 0.277 198 K C -0.426 176.246 176.600 0.120 0.000 1.067 198 K CA -0.439 55.918 56.287 0.117 0.000 0.900 198 K CB 0.705 33.290 32.500 0.142 0.000 1.124 198 K HN 0.562 nan 8.250 nan 0.000 0.469 199 I N 4.097 124.764 120.570 0.161 0.000 2.742 199 I HA -0.147 4.024 4.170 0.001 0.000 0.287 199 I C 0.297 176.521 176.117 0.179 0.000 1.186 199 I CA 0.861 62.266 61.300 0.174 0.000 1.417 199 I CB -0.242 37.865 38.000 0.178 0.000 1.377 199 I HN 0.807 nan 8.210 nan 0.000 0.556 200 D N 5.473 125.956 120.400 0.138 0.000 2.701 200 D HA -0.208 4.432 4.640 0.001 0.000 0.235 200 D C 1.242 177.607 176.300 0.108 0.000 1.155 200 D CA 1.203 55.269 54.000 0.110 0.000 0.649 200 D CB -1.057 39.807 40.800 0.107 0.000 1.050 200 D HN 1.117 nan 8.370 nan 0.000 0.425 201 G N -0.316 108.540 108.800 0.094 0.000 2.166 201 G HA2 -0.389 3.572 3.960 0.001 0.000 0.260 201 G HA3 -0.389 3.572 3.960 0.001 0.000 0.260 201 G C 0.795 175.748 174.900 0.089 0.000 0.986 201 G CA 1.269 46.415 45.100 0.078 0.000 0.683 201 G HN 0.497 nan 8.290 nan 0.000 0.527 202 E N -1.540 118.741 120.200 0.137 0.000 2.571 202 E HA 0.244 4.595 4.350 0.001 0.000 0.204 202 E C 0.275 176.878 176.600 0.005 0.000 0.851 202 E CA 0.054 56.500 56.400 0.076 0.000 1.358 202 E CB 0.468 30.226 29.700 0.096 0.000 1.327 202 E HN 0.567 nan 8.360 nan 0.000 0.665 203 H N -0.342 118.789 119.070 0.101 0.000 2.685 203 H HA 0.256 4.813 4.556 0.001 0.000 0.286 203 H C -1.126 174.283 175.328 0.135 0.000 1.102 203 H CA -0.725 55.391 56.048 0.113 0.000 1.254 203 H CB -0.056 29.754 29.762 0.079 0.000 1.397 203 H HN -0.004 nan 8.280 nan 0.000 0.473 204 F N 3.232 123.235 119.950 0.088 0.000 2.538 204 F HA 0.175 4.703 4.527 0.001 0.000 0.382 204 F C -0.210 175.640 175.800 0.084 0.000 1.069 204 F CA 0.325 58.378 58.000 0.088 0.000 1.138 204 F CB 0.033 39.070 39.000 0.061 0.000 1.068 204 F HN 0.342 nan 8.300 nan 0.000 0.556 205 S N 3.978 119.445 115.700 -0.388 0.000 2.569 205 S HA 0.843 5.313 4.470 0.001 0.000 0.280 205 S C -0.733 173.446 174.600 -0.701 0.000 1.111 205 S CA -0.736 57.187 58.200 -0.462 0.000 0.887 205 S CB 1.701 64.607 63.200 -0.490 0.000 1.095 205 S HN 0.831 nan 8.310 nan 0.000 0.476 206 A N 1.556 123.891 122.820 -0.809 0.000 2.303 206 A HA 0.886 5.206 4.320 0.001 0.000 0.317 206 A C -1.264 175.716 177.584 -1.008 0.000 1.149 206 A CA -0.386 51.077 52.037 -0.956 0.000 0.822 206 A CB 0.111 18.595 19.000 -0.860 0.000 1.131 206 A HN 0.608 nan 8.150 nan 0.000 0.493 207 F N 0.612 120.275 119.950 -0.477 0.000 2.569 207 F HA 0.433 4.961 4.527 0.001 0.000 0.312 207 F C -0.120 175.527 175.800 -0.254 0.000 1.109 207 F CA -0.376 57.442 58.000 -0.304 0.000 0.919 207 F CB 1.934 40.775 39.000 -0.264 0.000 1.211 207 F HN 0.362 nan 8.300 nan 0.000 0.446 208 I N 4.177 124.740 120.570 -0.012 0.000 2.363 208 I HA 0.244 4.415 4.170 0.001 0.000 0.292 208 I C -0.707 175.420 176.117 0.016 0.000 1.075 208 I CA -0.321 60.911 61.300 -0.113 0.000 1.333 208 I CB 0.294 38.130 38.000 -0.274 0.000 1.415 208 I HN 0.198 nan 8.210 nan 0.000 0.502 209 V N 6.622 126.532 119.914 -0.006 0.000 2.384 209 V HA 0.254 4.375 4.120 0.001 0.000 0.287 209 V C 0.214 176.225 176.094 -0.137 0.000 1.020 209 V CA -0.830 61.490 62.300 0.034 0.000 0.850 209 V CB 1.284 33.131 31.823 0.039 0.000 0.987 209 V HN 0.644 nan 8.190 nan 0.000 0.436 210 E N 3.164 122.997 120.200 -0.612 0.000 2.331 210 E HA 0.143 4.493 4.350 0.001 0.000 0.272 210 E C 0.841 177.235 176.600 -0.344 0.000 1.036 210 E CA -0.400 55.651 56.400 -0.581 0.000 0.864 210 E CB 1.389 30.541 29.700 -0.912 0.000 1.035 210 E HN 0.649 nan 8.360 nan 0.000 0.408 211 K N 2.798 123.180 120.400 -0.030 0.000 2.211 211 K HA -0.215 4.105 4.320 0.001 0.000 0.204 211 K C 0.372 176.965 176.600 -0.012 0.000 1.047 211 K CA 1.591 57.928 56.287 0.084 0.000 0.935 211 K CB 0.205 32.826 32.500 0.200 0.000 0.728 211 K HN 0.374 nan 8.250 nan 0.000 0.452 212 D N -0.296 120.072 120.400 -0.054 0.000 2.349 212 D HA -0.007 4.633 4.640 0.001 0.000 0.215 212 D C -0.224 176.139 176.300 0.106 0.000 1.016 212 D CA 0.158 54.167 54.000 0.015 0.000 0.870 212 D CB -0.018 40.801 40.800 0.032 0.000 0.917 212 D HN 0.099 nan 8.370 nan 0.000 0.524 213 Y N 1.406 121.717 120.300 0.019 0.000 2.683 213 Y HA 0.216 4.767 4.550 0.001 0.000 0.340 213 Y C 1.182 177.057 175.900 -0.041 0.000 1.245 213 Y CA -1.517 56.576 58.100 -0.012 0.000 1.485 213 Y CB -0.134 38.318 38.460 -0.014 0.000 1.328 213 Y HN -0.173 nan 8.280 nan 0.000 0.603 214 A N 1.520 124.401 122.820 0.102 0.000 2.445 214 A HA 0.447 4.767 4.320 0.001 0.000 0.242 214 A C 1.382 178.963 177.584 -0.005 0.000 1.075 214 A CA 0.405 52.453 52.037 0.017 0.000 0.777 214 A CB -0.683 18.298 19.000 -0.031 0.000 1.013 214 A HN 1.572 nan 8.150 nan 0.000 0.493 215 G N -0.115 108.670 108.800 -0.026 0.000 2.179 215 G HA2 -0.149 3.811 3.960 0.001 0.000 0.260 215 G HA3 -0.149 3.811 3.960 0.001 0.000 0.260 215 G C 0.102 174.964 174.900 -0.064 0.000 0.977 215 G CA 0.208 45.280 45.100 -0.048 0.000 0.641 215 G HN 1.497 nan 8.290 nan 0.000 0.533 216 V N 1.905 121.785 119.914 -0.057 0.000 2.370 216 V HA 0.751 4.871 4.120 0.001 0.000 0.279 216 V C 0.556 176.585 176.094 -0.108 0.000 1.029 216 V CA 0.253 62.485 62.300 -0.113 0.000 0.870 216 V CB 1.237 32.988 31.823 -0.121 0.000 0.984 216 V HN 1.077 nan 8.190 nan 0.000 0.451 217 S N 3.105 118.723 115.700 -0.137 0.000 2.720 217 S HA 0.899 5.369 4.470 0.001 0.000 0.287 217 S C -0.412 174.103 174.600 -0.141 0.000 1.168 217 S CA -0.373 57.763 58.200 -0.108 0.000 0.832 217 S CB 2.440 65.601 63.200 -0.065 0.000 1.166 217 S HN 0.880 nan 8.310 nan 0.000 0.493 218 T N -1.192 113.309 114.554 -0.088 0.000 2.900 218 T HA 0.738 5.088 4.350 0.001 0.000 0.295 218 T C 0.145 174.822 174.700 -0.038 0.000 1.044 218 T CA -0.223 61.831 62.100 -0.078 0.000 0.995 218 T CB 1.247 70.084 68.868 -0.051 0.000 1.072 218 T HN 1.318 nan 8.240 nan 0.000 0.473 219 S N 2.077 117.758 115.700 -0.032 0.000 2.634 219 S HA 0.582 5.052 4.470 0.001 0.000 0.261 219 S C -2.503 172.111 174.600 0.023 0.000 1.271 219 S CA -0.940 57.256 58.200 -0.006 0.000 0.985 219 S CB -0.492 62.702 63.200 -0.010 0.000 0.968 219 S HN 0.643 nan 8.310 nan 0.000 0.568 220 P HA 0.197 nan 4.420 nan 0.000 0.272 220 P C -0.315 177.042 177.300 0.096 0.000 1.240 220 P CA -0.323 62.823 63.100 0.077 0.000 0.791 220 P CB 0.224 31.973 31.700 0.081 0.000 0.978 221 E N 1.511 121.793 120.200 0.136 0.000 2.481 221 E HA -0.034 4.316 4.350 0.001 0.000 0.263 221 E C 0.320 177.028 176.600 0.181 0.000 0.992 221 E CA 0.427 56.922 56.400 0.158 0.000 0.938 221 E CB 0.246 30.083 29.700 0.228 0.000 0.933 221 E HN 0.387 nan 8.360 nan 0.000 0.453 222 E N 1.777 122.089 120.200 0.188 0.000 2.404 222 E HA 0.029 4.379 4.350 0.001 0.000 0.261 222 E C -0.415 176.318 176.600 0.220 0.000 1.074 222 E CA 0.018 56.542 56.400 0.207 0.000 0.917 222 E CB 0.470 30.319 29.700 0.250 0.000 0.965 222 E HN 0.084 nan 8.360 nan 0.000 0.433 223 K N 2.525 123.030 120.400 0.174 0.000 2.264 223 K HA 0.221 4.541 4.320 0.001 0.000 0.277 223 K C 0.009 176.675 176.600 0.109 0.000 1.067 223 K CA -0.139 56.233 56.287 0.142 0.000 0.900 223 K CB 0.777 33.335 32.500 0.097 0.000 1.124 223 K HN 0.232 nan 8.250 nan 0.000 0.469 227 I N -2.056 118.551 120.570 0.062 0.000 3.859 227 I HA -0.289 3.881 4.170 0.001 0.000 0.126 227 I C 1.098 177.319 176.117 0.173 0.000 1.065 227 I CA 1.477 62.851 61.300 0.123 0.000 2.735 227 I CB -1.282 36.800 38.000 0.136 0.000 1.465 227 I HN 0.557 nan 8.210 nan 0.000 0.341 228 K N 1.403 121.906 120.400 0.171 0.000 2.209 228 K HA -0.122 4.198 4.320 0.001 0.000 0.204 228 K C 2.088 178.919 176.600 0.384 0.000 1.048 228 K CA 1.814 58.252 56.287 0.253 0.000 0.940 228 K CB -0.173 32.416 32.500 0.148 0.000 0.729 228 K HN 0.974 nan 8.250 nan 0.000 0.451 229 C N -0.268 119.224 119.300 0.320 0.000 2.522 229 C HA 0.118 4.578 4.460 0.001 0.000 0.271 229 C C 1.319 176.614 174.990 0.507 0.000 1.425 229 C CA -0.904 58.358 59.018 0.406 0.000 1.751 229 C CB -0.818 27.112 27.740 0.317 0.000 1.775 229 C HN 0.099 nan 8.230 nan 0.000 0.557 230 S N 1.732 117.658 115.700 0.375 0.000 2.499 230 S HA 0.372 4.842 4.470 0.001 0.000 0.275 230 S C 0.239 174.953 174.600 0.190 0.000 1.257 230 S CA 0.005 58.382 58.200 0.295 0.000 1.050 230 S CB 0.377 63.703 63.200 0.211 0.000 0.937 230 S HN 0.716 nan 8.310 nan 0.000 0.490 231 S N 4.151 119.835 115.700 -0.028 0.000 2.531 231 S HA 0.429 4.899 4.470 0.001 0.000 0.279 231 S C -0.486 174.002 174.600 -0.187 0.000 1.305 231 S CA -0.138 57.831 58.200 -0.385 0.000 1.058 231 S CB 0.033 62.606 63.200 -1.045 0.000 0.899 231 S HN 0.779 nan 8.310 nan 0.000 0.493 232 T N 6.380 120.887 114.554 -0.077 0.000 3.143 232 T HA 0.514 4.864 4.350 0.001 0.000 0.312 232 T C -0.729 174.017 174.700 0.078 0.000 0.986 232 T CA -0.722 61.407 62.100 0.048 0.000 1.024 232 T CB 0.959 69.908 68.868 0.135 0.000 1.030 232 T HN 0.715 nan 8.240 nan 0.000 0.448 233 R N 0.796 121.336 120.500 0.066 0.000 2.799 233 R HA 0.640 4.980 4.340 0.001 0.000 0.270 233 R C -0.794 175.526 176.300 0.033 0.000 1.010 233 R CA -1.061 55.070 56.100 0.052 0.000 0.916 233 R CB 1.462 31.762 30.300 0.000 0.000 1.228 233 R HN 0.419 nan 8.270 nan 0.000 0.469 234 T N 2.194 116.741 114.554 -0.012 0.000 2.814 234 T HA 0.144 4.495 4.350 0.001 0.000 0.297 234 T C -0.323 174.320 174.700 -0.095 0.000 0.956 234 T CA -0.237 61.821 62.100 -0.070 0.000 1.123 234 T CB 0.318 69.130 68.868 -0.093 0.000 0.902 234 T HN 0.182 nan 8.240 nan 0.000 0.528 235 L N 6.078 127.222 121.223 -0.133 0.000 2.278 235 L HA 0.479 4.820 4.340 0.001 0.000 0.287 235 L C -0.682 176.064 176.870 -0.208 0.000 1.072 235 L CA 0.017 54.713 54.840 -0.240 0.000 0.819 235 L CB -0.075 41.771 42.059 -0.355 0.000 1.176 235 L HN 0.559 nan 8.230 nan 0.000 0.435 236 I N 6.430 126.883 120.570 -0.196 0.000 2.336 236 I HA 0.321 4.492 4.170 0.001 0.000 0.292 236 I C -0.735 175.288 176.117 -0.158 0.000 0.991 236 I CA -0.408 60.802 61.300 -0.149 0.000 1.227 236 I CB 1.164 39.099 38.000 -0.109 0.000 1.366 236 I HN 0.472 nan 8.210 nan 0.000 0.466 237 L N 6.822 127.962 121.223 -0.138 0.000 2.345 237 L HA 0.490 4.831 4.340 0.001 0.000 0.274 237 L C -0.638 176.172 176.870 -0.099 0.000 0.999 237 L CA -0.403 54.360 54.840 -0.129 0.000 0.849 237 L CB 1.193 43.164 42.059 -0.148 0.000 1.220 237 L HN 0.542 nan 8.230 nan 0.000 0.422 238 E N 3.060 123.209 120.200 -0.085 0.000 2.149 238 E HA 0.211 4.561 4.350 0.001 0.000 0.255 238 E C -0.961 175.599 176.600 -0.066 0.000 0.888 238 E CA -0.545 55.814 56.400 -0.069 0.000 0.742 238 E CB 0.977 30.642 29.700 -0.058 0.000 1.164 238 E HN 0.432 nan 8.360 nan 0.000 0.422 239 D N 1.739 122.098 120.400 -0.068 0.000 2.701 239 D HA -0.217 4.424 4.640 0.001 0.000 0.235 239 D C -0.480 175.772 176.300 -0.079 0.000 1.155 239 D CA 0.993 54.951 54.000 -0.070 0.000 0.649 239 D CB -0.974 39.789 40.800 -0.061 0.000 1.050 239 D HN 0.514 nan 8.370 nan 0.000 0.425 240 A N 0.403 123.172 122.820 -0.085 0.000 2.491 240 A HA 0.371 4.692 4.320 0.001 0.000 0.261 240 A C 0.590 178.120 177.584 -0.091 0.000 1.101 240 A CA 0.007 51.997 52.037 -0.077 0.000 0.772 240 A CB 0.315 19.265 19.000 -0.084 0.000 1.043 240 A HN 0.319 nan 8.150 nan 0.000 0.501 241 L N 4.182 125.339 121.223 -0.110 0.000 2.259 241 L HA 0.345 4.685 4.340 0.001 0.000 0.288 241 L C -0.520 176.188 176.870 -0.271 0.000 1.051 241 L CA -0.260 54.458 54.840 -0.203 0.000 0.824 241 L CB 1.249 43.107 42.059 -0.334 0.000 1.206 241 L HN 0.455 nan 8.230 nan 0.000 0.429 242 V N 5.321 125.157 119.914 -0.130 0.000 2.435 242 V HA 0.426 4.547 4.120 0.001 0.000 0.290 242 V C -2.044 174.106 176.094 0.094 0.000 1.030 242 V CA -2.000 60.244 62.300 -0.093 0.000 0.881 242 V CB 1.618 33.463 31.823 0.037 0.000 0.983 242 V HN 0.499 nan 8.190 nan 0.000 0.445 243 P HA 0.131 nan 4.420 nan 0.000 0.270 243 P C 0.106 177.480 177.300 0.124 0.000 1.223 243 P CA -0.382 62.748 63.100 0.051 0.000 0.785 243 P CB 0.566 32.275 31.700 0.014 0.000 0.923 244 K N 0.452 120.860 120.400 0.014 0.000 2.296 244 K HA -0.084 4.237 4.320 0.001 0.000 0.200 244 K C 0.968 177.674 176.600 0.176 0.000 1.048 244 K CA 1.496 57.877 56.287 0.157 0.000 0.966 244 K CB -0.608 31.866 32.500 -0.044 0.000 0.754 244 K HN 0.287 nan 8.250 nan 0.000 0.466 245 E N 0.749 121.005 120.200 0.094 0.000 2.511 245 E HA -0.031 4.319 4.350 0.001 0.000 0.196 245 E C 0.461 177.138 176.600 0.129 0.000 1.066 245 E CA 0.454 56.909 56.400 0.090 0.000 0.871 245 E CB -0.145 29.591 29.700 0.060 0.000 0.863 245 E HN 0.337 nan 8.360 nan 0.000 0.520 246 N N 0.111 118.920 118.700 0.181 0.000 2.270 246 N HA 0.093 4.834 4.740 0.001 0.000 0.198 246 N C -0.453 175.130 175.510 0.123 0.000 1.117 246 N CA -0.217 52.946 53.050 0.189 0.000 0.845 246 N CB 0.269 38.922 38.487 0.275 0.000 0.980 246 N HN 0.137 nan 8.380 nan 0.000 0.486 247 L N 1.263 122.534 121.223 0.081 0.000 2.513 247 L HA 0.188 4.529 4.340 0.001 0.000 0.272 247 L C -0.483 176.257 176.870 -0.215 0.000 1.187 247 L CA -0.107 54.606 54.840 -0.211 0.000 0.895 247 L CB 0.301 42.248 42.059 -0.188 0.000 1.147 247 L HN -0.012 nan 8.230 nan 0.000 0.483 248 L N 6.954 127.962 121.223 -0.359 0.000 2.282 248 L HA 0.793 5.134 4.340 0.001 0.000 0.288 248 L C 0.581 177.301 176.870 -0.249 0.000 1.033 248 L CA 1.054 55.750 54.840 -0.240 0.000 0.807 248 L CB 0.651 42.559 42.059 -0.251 0.000 1.209 248 L HN 0.964 nan 8.230 nan 0.000 0.423 249 G N 4.445 113.171 108.800 -0.123 0.000 2.539 249 G HA2 -0.205 3.755 3.960 0.001 0.000 0.256 249 G HA3 -0.205 3.755 3.960 0.001 0.000 0.256 249 G C -0.392 174.441 174.900 -0.113 0.000 1.233 249 G CA 0.085 45.126 45.100 -0.098 0.000 0.936 249 G HN 0.726 nan 8.290 nan 0.000 0.571 250 E N -0.178 119.961 120.200 -0.100 0.000 2.221 250 E HA 0.503 4.854 4.350 0.001 0.000 0.268 250 E C 0.260 176.814 176.600 -0.076 0.000 0.933 250 E CA -1.121 55.240 56.400 -0.066 0.000 0.809 250 E CB 1.616 31.307 29.700 -0.016 0.000 1.190 250 E HN 0.390 nan 8.360 nan 0.000 0.406 251 I N 1.986 122.524 120.570 -0.052 0.000 2.821 251 I HA -0.111 4.060 4.170 0.001 0.000 0.294 251 I C 1.528 177.693 176.117 0.080 0.000 1.210 251 I CA 1.400 62.684 61.300 -0.027 0.000 1.430 251 I CB -0.681 37.307 38.000 -0.020 0.000 1.356 251 I HN 1.015 nan 8.210 nan 0.000 0.563 252 G N 6.056 114.939 108.800 0.137 0.000 2.189 252 G HA2 -0.331 3.630 3.960 0.001 0.000 0.267 252 G HA3 -0.331 3.630 3.960 0.001 0.000 0.267 252 G C 0.810 175.862 174.900 0.252 0.000 0.975 252 G CA 0.257 45.508 45.100 0.252 0.000 0.644 252 G HN 0.538 nan 8.290 nan 0.000 0.537 253 K N 0.602 121.097 120.400 0.158 0.000 2.576 253 K HA 0.455 4.775 4.320 0.001 0.000 0.209 253 K C 2.110 178.731 176.600 0.035 0.000 1.049 253 K CA 0.692 57.056 56.287 0.129 0.000 1.140 253 K CB -0.089 32.421 32.500 0.016 0.000 0.871 253 K HN 0.288 nan 8.250 nan 0.000 0.479 254 G N 0.864 109.785 108.800 0.203 0.000 2.418 254 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 254 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 254 G C 1.388 176.504 174.900 0.360 0.000 1.158 254 G CA 1.148 46.385 45.100 0.228 0.000 0.771 254 G HN 0.597 nan 8.290 nan 0.000 0.545 255 H N 0.732 120.047 119.070 0.410 0.000 2.390 255 H HA -0.048 4.508 4.556 0.001 0.000 0.298 255 H C 2.401 177.831 175.328 0.170 0.000 1.106 255 H CA 1.332 57.471 56.048 0.151 0.000 1.297 255 H CB -0.663 29.185 29.762 0.144 0.000 1.375 255 H HN 0.403 nan 8.280 nan 0.000 0.509 256 I N 0.828 120.952 120.570 -0.743 0.000 2.208 256 I HA -0.250 3.920 4.170 0.001 0.000 0.245 256 I C 2.657 178.522 176.117 -0.420 0.000 1.097 256 I CA 1.281 62.276 61.300 -0.508 0.000 1.363 256 I CB -0.187 37.509 38.000 -0.508 0.000 1.051 256 I HN 0.166 nan 8.210 nan 0.000 0.413 257 I N 0.437 120.701 120.570 -0.510 0.000 2.233 257 I HA -0.229 3.941 4.170 0.001 0.000 0.243 257 I C 2.815 178.871 176.117 -0.101 0.000 1.093 257 I CA 1.211 62.149 61.300 -0.603 0.000 1.380 257 I CB -0.555 37.182 38.000 -0.438 0.000 1.067 257 I HN 0.139 nan 8.210 nan 0.000 0.413 258 A N 0.973 123.787 122.820 -0.010 0.000 1.883 258 A HA -0.225 4.096 4.320 0.001 0.000 0.217 258 A C 2.086 179.552 177.584 -0.197 0.000 1.186 258 A CA 1.823 53.783 52.037 -0.128 0.000 0.624 258 A CB -1.008 17.707 19.000 -0.475 0.000 0.822 258 A HN 0.345 nan 8.150 nan 0.000 0.444 259 F N 0.341 120.275 119.950 -0.027 0.000 2.206 259 F HA -0.058 4.469 4.527 0.001 0.000 0.298 259 F C 2.398 178.189 175.800 -0.017 0.000 1.090 259 F CA 1.101 59.085 58.000 -0.027 0.000 1.323 259 F CB -0.421 38.565 39.000 -0.024 0.000 1.028 259 F HN 0.232 nan 8.300 nan 0.000 0.492 260 N N 0.322 119.121 118.700 0.165 0.000 2.188 260 N HA -0.126 4.614 4.740 0.001 0.000 0.184 260 N C 1.947 177.528 175.510 0.118 0.000 1.018 260 N CA 1.060 54.209 53.050 0.164 0.000 0.858 260 N CB -0.095 38.586 38.487 0.324 0.000 0.989 260 N HN 0.132 nan 8.380 nan 0.000 0.426 261 I N 1.237 121.865 120.570 0.095 0.000 2.315 261 I HA -0.166 4.004 4.170 0.001 0.000 0.248 261 I C 2.315 178.373 176.117 -0.099 0.000 1.117 261 I CA 0.513 61.807 61.300 -0.010 0.000 1.404 261 I CB -1.032 36.933 38.000 -0.058 0.000 1.071 261 I HN 0.082 nan 8.210 nan 0.000 0.419 262 L N 1.563 122.748 121.223 -0.062 0.000 2.043 262 L HA -0.235 4.106 4.340 0.001 0.000 0.212 262 L C 2.194 179.047 176.870 -0.028 0.000 1.075 262 L CA 1.852 56.661 54.840 -0.052 0.000 0.752 262 L CB -0.984 41.089 42.059 0.023 0.000 0.891 262 L HN 0.254 nan 8.230 nan 0.000 0.432 263 N N -0.221 118.485 118.700 0.009 0.000 2.084 263 N HA -0.171 4.569 4.740 0.001 0.000 0.190 263 N C 1.948 177.476 175.510 0.030 0.000 1.030 263 N CA 2.044 55.108 53.050 0.024 0.000 0.849 263 N CB -0.312 38.181 38.487 0.010 0.000 1.012 263 N HN 0.426 nan 8.380 nan 0.000 0.423 264 I N 0.618 121.169 120.570 -0.031 0.000 2.252 264 I HA -0.138 4.032 4.170 0.001 0.000 0.245 264 I C 2.490 178.382 176.117 -0.376 0.000 1.102 264 I CA 1.184 62.401 61.300 -0.137 0.000 1.385 264 I CB -0.736 37.217 38.000 -0.079 0.000 1.064 264 I HN 0.126 nan 8.210 nan 0.000 0.414 265 G N 0.877 109.522 108.800 -0.258 0.000 2.469 265 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 265 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 265 G C 1.829 176.594 174.900 -0.224 0.000 1.150 265 G CA 0.653 45.587 45.100 -0.277 0.000 0.763 265 G HN 0.300 nan 8.290 nan 0.000 0.561 266 R N -0.505 119.919 120.500 -0.128 0.000 2.066 266 R HA -0.077 4.264 4.340 0.001 0.000 0.232 266 R C 2.530 178.822 176.300 -0.013 0.000 1.131 266 R CA 1.717 57.794 56.100 -0.037 0.000 0.955 266 R CB -0.631 29.684 30.300 0.025 0.000 0.851 266 R HN 0.704 nan 8.270 nan 0.000 0.432 267 Y N 0.502 120.789 120.300 -0.021 0.000 2.373 267 Y HA 0.066 4.616 4.550 0.001 0.000 0.293 267 Y C 1.669 177.553 175.900 -0.027 0.000 1.129 267 Y CA 0.584 58.674 58.100 -0.016 0.000 1.226 267 Y CB -0.012 38.439 38.460 -0.015 0.000 1.000 267 Y HN -0.248 nan 8.280 nan 0.000 0.549 268 K N 1.270 121.296 120.400 -0.624 0.000 2.097 268 K HA -0.118 4.202 4.320 0.001 0.000 0.205 268 K C 2.122 178.628 176.600 -0.157 0.000 1.050 268 K CA 1.329 57.362 56.287 -0.424 0.000 0.938 268 K CB -0.681 31.537 32.500 -0.470 0.000 0.718 268 K HN 0.520 nan 8.250 nan 0.000 0.442 269 L N 0.643 121.790 121.223 -0.127 0.000 2.046 269 L HA -0.111 4.230 4.340 0.001 0.000 0.208 269 L C 2.194 179.077 176.870 0.022 0.000 1.077 269 L CA 1.752 56.574 54.840 -0.030 0.000 0.747 269 L CB -0.767 41.291 42.059 -0.002 0.000 0.896 269 L HN 0.214 nan 8.230 nan 0.000 0.432 270 G N -0.603 108.218 108.800 0.035 0.000 2.476 270 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 270 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 270 G C 1.486 176.415 174.900 0.048 0.000 1.164 270 G CA 1.147 46.289 45.100 0.070 0.000 0.768 270 G HN 0.323 nan 8.290 nan 0.000 0.560 271 V N 1.488 121.415 119.914 0.022 0.000 2.343 271 V HA -0.075 4.046 4.120 0.001 0.000 0.247 271 V C 3.142 179.269 176.094 0.054 0.000 1.051 271 V CA 2.061 64.362 62.300 0.001 0.000 1.036 271 V CB -1.068 30.740 31.823 -0.025 0.000 0.654 271 V HN 0.459 nan 8.190 nan 0.000 0.451 272 G N 0.277 109.108 108.800 0.051 0.000 2.418 272 G HA2 -0.288 3.672 3.960 0.001 0.000 0.217 272 G HA3 -0.288 3.672 3.960 0.001 0.000 0.217 272 G C 1.790 176.735 174.900 0.074 0.000 1.158 272 G CA 1.692 46.839 45.100 0.078 0.000 0.771 272 G HN 0.577 nan 8.290 nan 0.000 0.545 273 T N -0.747 113.842 114.554 0.060 0.000 2.821 273 T HA -0.075 4.275 4.350 0.001 0.000 0.267 273 T C 2.284 177.001 174.700 0.029 0.000 1.046 273 T CA 1.307 63.434 62.100 0.044 0.000 1.139 273 T CB -0.442 68.448 68.868 0.036 0.000 0.871 273 T HN 0.013 nan 8.240 nan 0.000 0.454 274 V N 2.158 122.094 119.914 0.036 0.000 2.287 274 V HA -0.050 4.070 4.120 0.001 0.000 0.248 274 V C 3.108 179.212 176.094 0.016 0.000 1.053 274 V CA 1.961 64.272 62.300 0.018 0.000 1.027 274 V CB -1.544 30.318 31.823 0.065 0.000 0.646 274 V HN 0.687 nan 8.190 nan 0.000 0.447 275 G N -0.549 108.292 108.800 0.069 0.000 2.446 275 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 275 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 275 G C 1.837 176.769 174.900 0.054 0.000 1.168 275 G CA 1.287 46.435 45.100 0.080 0.000 0.771 275 G HN 0.529 nan 8.290 nan 0.000 0.551 276 S N 1.032 116.763 115.700 0.053 0.000 2.383 276 S HA 0.034 4.505 4.470 0.001 0.000 0.227 276 S C 2.752 177.367 174.600 0.025 0.000 1.026 276 S CA 1.126 59.353 58.200 0.045 0.000 0.981 276 S CB -0.322 62.906 63.200 0.047 0.000 0.818 276 S HN 0.601 nan 8.310 nan 0.000 0.472 277 A N 1.905 124.724 122.820 -0.001 0.000 1.898 277 A HA -0.094 4.226 4.320 0.001 0.000 0.216 277 A C 2.042 179.603 177.584 -0.038 0.000 1.181 277 A CA 1.307 53.332 52.037 -0.020 0.000 0.620 277 A CB -0.393 18.574 19.000 -0.054 0.000 0.819 277 A HN 0.424 nan 8.150 nan 0.000 0.442 278 K N -0.859 119.492 120.400 -0.082 0.000 2.063 278 K HA -0.191 4.129 4.320 0.001 0.000 0.208 278 K C 2.324 178.955 176.600 0.051 0.000 1.048 278 K CA 1.612 57.859 56.287 -0.067 0.000 0.928 278 K CB -0.149 32.311 32.500 -0.066 0.000 0.713 278 K HN 0.325 nan 8.250 nan 0.000 0.442 279 R N 1.317 121.849 120.500 0.054 0.000 2.075 279 R HA -0.054 4.287 4.340 0.001 0.000 0.232 279 R C 1.967 178.318 176.300 0.085 0.000 1.126 279 R CA 1.680 57.824 56.100 0.074 0.000 0.963 279 R CB -0.674 29.664 30.300 0.064 0.000 0.858 279 R HN 0.190 nan 8.270 nan 0.000 0.435 280 A N -0.223 122.640 122.820 0.072 0.000 1.933 280 A HA -0.095 4.225 4.320 0.001 0.000 0.218 280 A C 2.325 179.978 177.584 0.116 0.000 1.175 280 A CA 1.736 53.824 52.037 0.084 0.000 0.628 280 A CB -0.716 18.321 19.000 0.062 0.000 0.814 280 A HN 0.191 nan 8.150 nan 0.000 0.444 281 V N -0.067 119.916 119.914 0.115 0.000 2.295 281 V HA -0.281 3.840 4.120 0.001 0.000 0.246 281 V C 2.547 178.736 176.094 0.160 0.000 1.049 281 V CA 2.379 64.769 62.300 0.150 0.000 1.024 281 V CB -0.673 31.261 31.823 0.185 0.000 0.648 281 V HN 0.805 nan 8.190 nan 0.000 0.447 282 E N 0.467 120.759 120.200 0.153 0.000 2.038 282 E HA -0.252 4.099 4.350 0.001 0.000 0.195 282 E C 2.167 178.853 176.600 0.143 0.000 1.000 282 E CA 2.311 58.797 56.400 0.143 0.000 0.803 282 E CB -0.228 29.549 29.700 0.129 0.000 0.750 282 E HN 0.756 nan 8.360 nan 0.000 0.448 283 I N -1.567 119.097 120.570 0.157 0.000 2.439 283 I HA -0.096 4.075 4.170 0.001 0.000 0.251 283 I C 2.170 178.444 176.117 0.261 0.000 1.139 283 I CA 0.991 62.411 61.300 0.199 0.000 1.438 283 I CB -0.205 37.916 38.000 0.201 0.000 1.085 283 I HN -0.060 nan 8.210 nan 0.000 0.427 284 S N 1.741 117.593 115.700 0.252 0.000 2.368 284 S HA -0.022 4.449 4.470 0.001 0.000 0.224 284 S C 2.337 177.034 174.600 0.162 0.000 1.029 284 S CA 1.405 59.749 58.200 0.240 0.000 0.988 284 S CB -0.372 62.953 63.200 0.209 0.000 0.838 284 S HN 0.689 nan 8.310 nan 0.000 0.462 285 A N 1.413 124.318 122.820 0.141 0.000 1.877 285 A HA -0.171 4.149 4.320 0.001 0.000 0.216 285 A C 2.106 179.734 177.584 0.072 0.000 1.186 285 A CA 1.434 53.532 52.037 0.101 0.000 0.620 285 A CB -0.694 18.368 19.000 0.103 0.000 0.822 285 A HN 0.513 nan 8.150 nan 0.000 0.443 286 Q N -1.972 117.883 119.800 0.092 0.000 2.061 286 Q HA -0.235 4.106 4.340 0.001 0.000 0.204 286 Q C 2.032 178.062 176.000 0.051 0.000 0.984 286 Q CA 2.061 57.907 55.803 0.071 0.000 0.846 286 Q CB -0.374 28.424 28.738 0.101 0.000 0.902 286 Q HN 0.839 nan 8.270 nan 0.000 0.421 287 Y N 0.423 120.690 120.300 -0.055 0.000 2.181 287 Y HA -0.232 4.318 4.550 0.001 0.000 0.288 287 Y C 2.191 177.999 175.900 -0.152 0.000 1.146 287 Y CA 1.297 59.300 58.100 -0.161 0.000 1.164 287 Y CB -0.157 38.032 38.460 -0.452 0.000 0.982 287 Y HN 0.117 nan 8.280 nan 0.000 0.515 288 A N 0.212 122.998 122.820 -0.057 0.000 2.019 288 A HA -0.189 4.131 4.320 0.001 0.000 0.219 288 A C 1.897 179.379 177.584 -0.171 0.000 1.164 288 A CA 1.722 53.694 52.037 -0.107 0.000 0.644 288 A CB -0.608 18.391 19.000 -0.002 0.000 0.805 288 A HN 0.553 nan 8.150 nan 0.000 0.449 289 N N -0.421 118.200 118.700 -0.132 0.000 2.331 289 N HA -0.078 4.663 4.740 0.001 0.000 0.180 289 N C 1.726 177.133 175.510 -0.171 0.000 1.019 289 N CA 0.986 53.959 53.050 -0.127 0.000 0.881 289 N CB -0.113 38.330 38.487 -0.073 0.000 0.972 289 N HN 0.521 nan 8.380 nan 0.000 0.435 290 Q N 0.065 119.719 119.800 -0.243 0.000 2.226 290 Q HA 0.054 4.395 4.340 0.001 0.000 0.199 290 Q C 0.640 176.436 176.000 -0.339 0.000 0.945 290 Q CA 0.199 55.847 55.803 -0.258 0.000 0.861 290 Q CB 0.014 28.608 28.738 -0.240 0.000 0.953 290 Q HN 0.104 nan 8.270 nan 0.000 0.490 291 R N 2.491 122.664 120.500 -0.546 0.000 2.370 291 R HA 0.044 4.384 4.340 0.001 0.000 0.309 291 R C -0.574 175.562 176.300 -0.273 0.000 1.059 291 R CA 0.447 56.230 56.100 -0.528 0.000 0.981 291 R CB 0.217 29.990 30.300 -0.880 0.000 0.972 291 R HN -0.007 nan 8.270 nan 0.000 0.437 292 Q N 3.427 123.122 119.800 -0.175 0.000 2.282 292 Q HA 0.366 4.706 4.340 0.001 0.000 0.260 292 Q C -0.641 175.344 176.000 -0.025 0.000 0.964 292 Q CA -0.992 54.756 55.803 -0.093 0.000 0.880 292 Q CB 2.374 31.066 28.738 -0.076 0.000 1.286 292 Q HN 0.522 nan 8.270 nan 0.000 0.445 293 Q N 0.908 120.756 119.800 0.079 0.000 2.416 293 Q HA 0.327 4.668 4.340 0.001 0.000 0.281 293 Q C -0.703 175.447 176.000 0.250 0.000 1.067 293 Q CA -0.759 55.076 55.803 0.054 0.000 0.809 293 Q CB 1.681 30.490 28.738 0.119 0.000 1.418 293 Q HN 0.685 nan 8.270 nan 0.000 0.411 294 F N 0.626 120.663 119.950 0.144 0.000 3.090 294 F HA -0.328 4.200 4.527 0.001 0.000 0.282 294 F C 0.727 176.598 175.800 0.119 0.000 0.923 294 F CA 1.041 59.118 58.000 0.129 0.000 0.977 294 F CB -1.553 37.539 39.000 0.153 0.000 0.954 294 F HN 0.753 nan 8.300 nan 0.000 0.695 295 K N -1.579 118.913 120.400 0.153 0.000 3.281 295 K HA -0.254 4.067 4.320 0.001 0.000 0.295 295 K C 0.204 176.847 176.600 0.071 0.000 1.233 295 K CA 1.539 57.880 56.287 0.090 0.000 0.866 295 K CB -0.961 31.591 32.500 0.087 0.000 1.265 295 K HN 0.846 nan 8.250 nan 0.000 0.482 296 Q N -2.448 117.397 119.800 0.075 0.000 2.418 296 Q HA 0.553 4.894 4.340 0.001 0.000 0.282 296 Q C -3.153 172.757 176.000 -0.150 0.000 1.044 296 Q CA -2.696 53.085 55.803 -0.036 0.000 0.813 296 Q CB 2.269 30.983 28.738 -0.040 0.000 1.428 296 Q HN -0.273 nan 8.270 nan 0.000 0.402 297 P HA -0.017 nan 4.420 nan 0.000 0.265 297 P C 0.693 177.716 177.300 -0.462 0.000 1.193 297 P CA 0.161 63.107 63.100 -0.258 0.000 0.765 297 P CB 0.345 31.921 31.700 -0.208 0.000 0.823 298 I N 0.974 121.313 120.570 -0.385 0.000 2.614 298 I HA -0.168 4.003 4.170 0.001 0.000 0.258 298 I C 1.709 177.587 176.117 -0.399 0.000 1.189 298 I CA 1.321 62.333 61.300 -0.481 0.000 1.462 298 I CB -0.905 37.111 38.000 0.027 0.000 1.092 298 I HN 0.195 nan 8.210 nan 0.000 0.442 299 A N 2.174 124.838 122.820 -0.260 0.000 2.093 299 A HA -0.190 4.130 4.320 0.001 0.000 0.222 299 A C 2.254 179.726 177.584 -0.187 0.000 1.162 299 A CA 1.528 53.469 52.037 -0.161 0.000 0.655 299 A CB -0.595 18.333 19.000 -0.121 0.000 0.805 299 A HN 0.501 nan 8.150 nan 0.000 0.461 300 R N -1.163 119.118 120.500 -0.364 0.000 2.299 300 R HA 0.135 4.475 4.340 0.001 0.000 0.197 300 R C -0.475 175.745 176.300 -0.132 0.000 0.971 300 R CA 0.012 55.952 56.100 -0.268 0.000 1.030 300 R CB -0.474 29.653 30.300 -0.289 0.000 0.932 300 R HN 0.598 nan 8.270 nan 0.000 0.477 301 F N 1.567 121.530 119.950 0.023 0.000 2.420 301 F HA 0.214 4.741 4.527 0.001 0.000 0.352 301 F C -1.133 174.681 175.800 0.024 0.000 1.108 301 F CA -2.716 55.296 58.000 0.019 0.000 1.162 301 F CB 1.136 40.151 39.000 0.027 0.000 1.118 301 F HN -0.232 nan 8.300 nan 0.000 0.510 302 P HA -0.216 nan 4.420 nan 0.000 0.216 302 P C 1.808 179.183 177.300 0.124 0.000 1.150 302 P CA 1.430 64.606 63.100 0.125 0.000 0.843 302 P CB 0.205 31.959 31.700 0.090 0.000 0.787 303 L N -1.438 119.865 121.223 0.134 0.000 2.079 303 L HA -0.169 4.171 4.340 0.001 0.000 0.210 303 L C 2.232 179.183 176.870 0.137 0.000 1.081 303 L CA 1.275 56.185 54.840 0.116 0.000 0.752 303 L CB -0.749 41.364 42.059 0.090 0.000 0.896 303 L HN 0.003 nan 8.230 nan 0.000 0.433 304 I N -0.413 120.260 120.570 0.171 0.000 2.286 304 I HA -0.234 3.936 4.170 0.001 0.000 0.245 304 I C 2.516 178.708 176.117 0.124 0.000 1.104 304 I CA 1.292 62.683 61.300 0.152 0.000 1.397 304 I CB -0.981 37.118 38.000 0.165 0.000 1.072 304 I HN 0.386 nan 8.210 nan 0.000 0.417 305 Q N 0.432 120.300 119.800 0.113 0.000 2.096 305 Q HA -0.261 4.079 4.340 0.001 0.000 0.204 305 Q C 2.142 178.212 176.000 0.116 0.000 0.982 305 Q CA 1.847 57.709 55.803 0.099 0.000 0.850 305 Q CB -0.205 28.581 28.738 0.080 0.000 0.901 305 Q HN 0.535 nan 8.270 nan 0.000 0.422 306 E N 1.191 121.462 120.200 0.119 0.000 2.106 306 E HA -0.201 4.150 4.350 0.001 0.000 0.192 306 E C 1.610 178.306 176.600 0.161 0.000 0.984 306 E CA 0.938 57.416 56.400 0.129 0.000 0.806 306 E CB 0.171 29.940 29.700 0.114 0.000 0.750 306 E HN 0.230 nan 8.360 nan 0.000 0.458 307 K N 0.337 120.832 120.400 0.158 0.000 2.026 307 K HA -0.108 4.213 4.320 0.001 0.000 0.208 307 K C 2.322 179.039 176.600 0.195 0.000 1.048 307 K CA 1.282 57.677 56.287 0.179 0.000 0.929 307 K CB -0.154 32.422 32.500 0.126 0.000 0.713 307 K HN 0.179 nan 8.250 nan 0.000 0.439 308 L N 0.594 121.917 121.223 0.166 0.000 2.079 308 L HA -0.212 4.129 4.340 0.001 0.000 0.210 308 L C 2.561 179.555 176.870 0.206 0.000 1.081 308 L CA 1.154 56.098 54.840 0.174 0.000 0.752 308 L CB -0.531 41.615 42.059 0.146 0.000 0.896 308 L HN 0.244 nan 8.230 nan 0.000 0.433 309 A N -0.557 122.382 122.820 0.198 0.000 1.930 309 A HA -0.083 4.238 4.320 0.001 0.000 0.217 309 A C 1.300 179.030 177.584 0.243 0.000 1.175 309 A CA 0.783 52.955 52.037 0.224 0.000 0.627 309 A CB -0.434 18.674 19.000 0.180 0.000 0.815 309 A HN 0.369 nan 8.150 nan 0.000 0.443 313 A N 0.819 123.618 122.820 -0.034 0.000 1.902 313 A HA -0.057 4.264 4.320 0.001 0.000 0.217 313 A C 1.915 179.506 177.584 0.012 0.000 1.181 313 A CA 2.032 54.048 52.037 -0.035 0.000 0.623 313 A CB -0.501 18.671 19.000 0.286 0.000 0.818 313 A HN 0.515 nan 8.150 nan 0.000 0.443 314 K N -0.836 119.603 120.400 0.066 0.000 2.097 314 K HA -0.072 4.249 4.320 0.001 0.000 0.205 314 K C 2.040 178.592 176.600 -0.080 0.000 1.050 314 K CA 1.663 57.954 56.287 0.007 0.000 0.938 314 K CB -0.375 32.124 32.500 -0.002 0.000 0.718 314 K HN 0.444 nan 8.250 nan 0.000 0.442 315 T N 0.532 115.039 114.554 -0.078 0.000 2.746 315 T HA -0.192 4.158 4.350 0.001 0.000 0.267 315 T C 1.516 176.134 174.700 -0.137 0.000 1.039 315 T CA 1.214 63.213 62.100 -0.167 0.000 1.142 315 T CB -0.380 68.297 68.868 -0.318 0.000 0.866 315 T HN 0.253 nan 8.240 nan 0.000 0.444 316 Y N 2.168 122.349 120.300 -0.198 0.000 2.128 316 Y HA -0.086 4.465 4.550 0.001 0.000 0.284 316 Y C 2.534 178.347 175.900 -0.145 0.000 1.154 316 Y CA 0.972 59.005 58.100 -0.111 0.000 1.149 316 Y CB -0.789 37.480 38.460 -0.318 0.000 0.976 316 Y HN 0.182 nan 8.280 nan 0.000 0.505 317 A N 0.197 122.860 122.820 -0.262 0.000 1.933 317 A HA -0.087 4.233 4.320 0.001 0.000 0.218 317 A C 2.406 179.845 177.584 -0.242 0.000 1.175 317 A CA 1.882 53.616 52.037 -0.505 0.000 0.628 317 A CB -1.418 16.840 19.000 -1.237 0.000 0.814 317 A HN 0.594 nan 8.150 nan 0.000 0.444 318 A N -0.471 122.384 122.820 0.060 0.000 1.872 318 A HA -0.130 4.190 4.320 0.001 0.000 0.214 318 A C 2.055 179.656 177.584 0.028 0.000 1.187 318 A CA 1.626 53.793 52.037 0.216 0.000 0.614 318 A CB -0.526 18.558 19.000 0.140 0.000 0.826 318 A HN 0.637 nan 8.150 nan 0.000 0.442 319 E N 0.107 120.285 120.200 -0.036 0.000 2.077 319 E HA -0.151 4.199 4.350 0.001 0.000 0.193 319 E C 2.078 178.683 176.600 0.010 0.000 0.989 319 E CA 1.455 57.885 56.400 0.049 0.000 0.800 319 E CB -0.064 29.660 29.700 0.039 0.000 0.746 319 E HN 0.563 nan 8.360 nan 0.000 0.452 320 S N 0.357 115.915 115.700 -0.237 0.000 2.368 320 S HA -0.149 4.322 4.470 0.001 0.000 0.224 320 S C 2.184 176.631 174.600 -0.256 0.000 1.029 320 S CA 1.295 59.301 58.200 -0.323 0.000 0.988 320 S CB -0.205 62.642 63.200 -0.589 0.000 0.838 320 S HN 0.449 nan 8.310 nan 0.000 0.462 321 S N 1.383 116.893 115.700 -0.317 0.000 2.387 321 S HA 0.009 4.479 4.470 0.001 0.000 0.226 321 S C 1.876 176.384 174.600 -0.153 0.000 1.026 321 S CA 0.805 58.756 58.200 -0.414 0.000 0.972 321 S CB -0.670 62.178 63.200 -0.587 0.000 0.814 321 S HN 0.273 nan 8.310 nan 0.000 0.477 322 V N 0.617 120.502 119.914 -0.049 0.000 2.358 322 V HA -0.104 4.017 4.120 0.001 0.000 0.246 322 V C 2.225 178.256 176.094 -0.104 0.000 1.047 322 V CA 1.648 63.925 62.300 -0.038 0.000 1.035 322 V CB -1.005 30.789 31.823 -0.048 0.000 0.658 322 V HN 0.494 nan 8.190 nan 0.000 0.452 323 Y N 0.199 120.533 120.300 0.055 0.000 2.352 323 Y HA -0.150 4.400 4.550 0.001 0.000 0.292 323 Y C 2.678 178.660 175.900 0.137 0.000 1.136 323 Y CA 1.709 59.895 58.100 0.144 0.000 1.227 323 Y CB -0.257 38.317 38.460 0.189 0.000 0.991 323 Y HN 0.106 nan 8.280 nan 0.000 0.545 324 R N -0.088 120.485 120.500 0.121 0.000 2.083 324 R HA -0.174 4.166 4.340 0.001 0.000 0.237 324 R C 1.863 178.166 176.300 0.006 0.000 1.137 324 R CA 2.153 58.284 56.100 0.050 0.000 0.951 324 R CB -0.494 29.739 30.300 -0.111 0.000 0.851 324 R HN 0.188 nan 8.270 nan 0.000 0.434 325 T N 0.468 115.011 114.554 -0.019 0.000 2.746 325 T HA -0.095 4.255 4.350 0.001 0.000 0.267 325 T C 1.860 176.402 174.700 -0.262 0.000 1.039 325 T CA 1.462 63.483 62.100 -0.132 0.000 1.142 325 T CB -0.181 68.634 68.868 -0.089 0.000 0.866 325 T HN 0.061 nan 8.240 nan 0.000 0.444 326 V N 1.548 121.318 119.914 -0.239 0.000 2.332 326 V HA -0.152 3.969 4.120 0.001 0.000 0.248 326 V C 2.868 178.813 176.094 -0.248 0.000 1.055 326 V CA 2.007 64.136 62.300 -0.285 0.000 1.038 326 V CB -1.399 30.328 31.823 -0.160 0.000 0.651 326 V HN 0.612 nan 8.190 nan 0.000 0.450 327 G N -0.399 108.293 108.800 -0.179 0.000 2.422 327 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 327 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 327 G C 1.597 176.370 174.900 -0.212 0.000 1.146 327 G CA 0.920 45.846 45.100 -0.290 0.000 0.769 327 G HN 0.471 nan 8.290 nan 0.000 0.547 328 L N -0.649 120.429 121.223 -0.242 0.000 2.046 328 L HA -0.012 4.328 4.340 0.001 0.000 0.208 328 L C 2.563 179.284 176.870 -0.249 0.000 1.077 328 L CA 0.861 55.453 54.840 -0.412 0.000 0.747 328 L CB -0.441 41.050 42.059 -0.947 0.000 0.896 328 L HN 0.185 nan 8.230 nan 0.000 0.432 329 F N 1.020 120.742 119.950 -0.380 0.000 2.102 329 F HA -0.216 4.311 4.527 0.001 0.000 0.298 329 F C 2.525 178.253 175.800 -0.121 0.000 1.105 329 F CA 1.687 59.585 58.000 -0.170 0.000 1.239 329 F CB -0.521 38.316 39.000 -0.272 0.000 0.991 329 F HN 0.144 nan 8.300 nan 0.000 0.474 330 E N -0.001 120.083 120.200 -0.194 0.000 2.077 330 E HA -0.207 4.144 4.350 0.001 0.000 0.193 330 E C 2.396 178.915 176.600 -0.136 0.000 0.989 330 E CA 1.737 57.964 56.400 -0.288 0.000 0.800 330 E CB -0.137 29.341 29.700 -0.370 0.000 0.746 330 E HN 0.507 nan 8.360 nan 0.000 0.452 331 S N 0.286 115.937 115.700 -0.082 0.000 2.382 331 S HA -0.076 4.394 4.470 0.001 0.000 0.228 331 S C 1.409 176.038 174.600 0.049 0.000 1.027 331 S CA 0.256 58.449 58.200 -0.012 0.000 0.991 331 S CB -0.111 63.093 63.200 0.006 0.000 0.823 331 S HN 0.018 nan 8.310 nan 0.000 0.469 335 T N 3.297 117.863 114.554 0.020 0.000 2.915 335 T HA 0.290 4.640 4.350 0.001 0.000 0.269 335 T C 0.589 175.301 174.700 0.020 0.000 1.071 335 T CA 0.829 62.944 62.100 0.025 0.000 1.132 335 T CB -0.443 68.448 68.868 0.038 0.000 0.878 335 T HN 0.400 nan 8.240 nan 0.000 0.479 336 L N 2.280 123.514 121.223 0.018 0.000 2.371 336 L HA 0.312 4.653 4.340 0.001 0.000 0.272 336 L C 1.050 177.924 176.870 0.005 0.000 1.124 336 L CA -0.817 54.032 54.840 0.015 0.000 0.816 336 L CB 0.817 42.888 42.059 0.020 0.000 1.129 336 L HN 0.196 nan 8.230 nan 0.000 0.448 337 S N 1.227 116.930 115.700 0.005 0.000 2.640 337 S HA 0.128 4.599 4.470 0.001 0.000 0.262 337 S C 0.865 175.462 174.600 -0.005 0.000 1.232 337 S CA -0.555 57.645 58.200 -0.000 0.000 0.988 337 S CB 0.811 64.011 63.200 0.001 0.000 1.034 337 S HN 0.679 nan 8.310 nan 0.000 0.569 338 E N 1.341 121.535 120.200 -0.010 0.000 2.023 338 E HA -0.210 4.141 4.350 0.001 0.000 0.196 338 E C 2.128 178.720 176.600 -0.014 0.000 1.003 338 E CA 1.791 58.180 56.400 -0.018 0.000 0.809 338 E CB -0.286 29.399 29.700 -0.026 0.000 0.755 338 E HN 0.890 nan 8.360 nan 0.000 0.449 339 E N 0.836 121.031 120.200 -0.009 0.000 2.347 339 E HA -0.142 4.209 4.350 0.001 0.000 0.196 339 E C 1.725 178.331 176.600 0.012 0.000 1.008 339 E CA 0.580 56.981 56.400 0.001 0.000 0.852 339 E CB -0.118 29.583 29.700 0.001 0.000 0.783 339 E HN 0.321 nan 8.360 nan 0.000 0.505 340 E N 1.235 121.440 120.200 0.008 0.000 2.028 340 E HA -0.143 4.208 4.350 0.001 0.000 0.191 340 E C 2.286 178.892 176.600 0.010 0.000 0.988 340 E CA 1.381 57.787 56.400 0.010 0.000 0.799 340 E CB -0.026 29.680 29.700 0.010 0.000 0.755 340 E HN 0.082 nan 8.360 nan 0.000 0.447 341 V N 1.977 121.897 119.914 0.009 0.000 2.282 341 V HA -0.290 3.831 4.120 0.001 0.000 0.249 341 V C 2.089 178.200 176.094 0.028 0.000 1.057 341 V CA 1.769 64.075 62.300 0.011 0.000 1.032 341 V CB -0.469 31.354 31.823 -0.000 0.000 0.645 341 V HN 0.177 nan 8.190 nan 0.000 0.447 342 K N 0.022 120.449 120.400 0.044 0.000 2.148 342 K HA -0.146 4.174 4.320 0.001 0.000 0.204 342 K C 1.775 178.451 176.600 0.127 0.000 1.050 342 K CA 1.455 57.815 56.287 0.122 0.000 0.942 342 K CB -0.760 31.789 32.500 0.083 0.000 0.724 342 K HN 0.538 nan 8.250 nan 0.000 0.446 343 D N -0.313 120.121 120.400 0.056 0.000 2.350 343 D HA -0.057 4.583 4.640 0.001 0.000 0.216 343 D C 1.276 177.552 176.300 -0.041 0.000 0.968 343 D CA 1.267 55.280 54.000 0.022 0.000 0.894 343 D CB 0.051 40.860 40.800 0.015 0.000 0.909 343 D HN 0.313 nan 8.370 nan 0.000 0.520 344 G N 0.894 109.659 108.800 -0.059 0.000 2.530 344 G HA2 -0.531 3.430 3.960 0.001 0.000 0.247 344 G HA3 -0.531 3.430 3.960 0.001 0.000 0.247 344 G C 1.345 176.091 174.900 -0.256 0.000 1.067 344 G CA 0.920 45.923 45.100 -0.161 0.000 0.650 344 G HN 0.489 nan 8.290 nan 0.000 0.531 345 K N 0.977 121.257 120.400 -0.200 0.000 2.152 345 K HA 0.161 4.482 4.320 0.001 0.000 0.206 345 K C 2.867 179.419 176.600 -0.080 0.000 1.048 345 K CA 1.971 58.162 56.287 -0.160 0.000 0.933 345 K CB -0.351 32.136 32.500 -0.023 0.000 0.721 345 K HN 0.689 nan 8.250 nan 0.000 0.447 346 A N 0.128 122.922 122.820 -0.044 0.000 1.970 346 A HA -0.017 4.303 4.320 0.001 0.000 0.216 346 A C 2.102 179.703 177.584 0.029 0.000 1.170 346 A CA 0.853 52.889 52.037 -0.001 0.000 0.645 346 A CB -0.227 18.780 19.000 0.011 0.000 0.816 346 A HN 0.128 nan 8.150 nan 0.000 0.447 347 V N 0.273 120.202 119.914 0.025 0.000 2.287 347 V HA -0.297 3.823 4.120 0.001 0.000 0.248 347 V C 3.062 179.227 176.094 0.118 0.000 1.053 347 V CA 2.034 64.410 62.300 0.127 0.000 1.027 347 V CB -1.418 30.459 31.823 0.091 0.000 0.646 347 V HN 0.585 nan 8.190 nan 0.000 0.447 348 A N 0.185 122.986 122.820 -0.032 0.000 1.883 348 A HA -0.186 4.135 4.320 0.001 0.000 0.217 348 A C 2.438 180.009 177.584 -0.022 0.000 1.186 348 A CA 2.458 54.470 52.037 -0.041 0.000 0.624 348 A CB -0.946 18.014 19.000 -0.068 0.000 0.822 348 A HN 0.619 nan 8.150 nan 0.000 0.444 349 A N -0.684 122.134 122.820 -0.003 0.000 1.933 349 A HA -0.058 4.263 4.320 0.001 0.000 0.218 349 A C 2.396 179.955 177.584 -0.042 0.000 1.175 349 A CA 1.989 54.016 52.037 -0.018 0.000 0.628 349 A CB -0.870 18.127 19.000 -0.004 0.000 0.814 349 A HN 0.467 nan 8.150 nan 0.000 0.444 350 S N -0.111 115.605 115.700 0.026 0.000 2.387 350 S HA -0.190 4.281 4.470 0.001 0.000 0.230 350 S C 1.595 176.201 174.600 0.011 0.000 1.035 350 S CA 1.892 60.160 58.200 0.113 0.000 1.014 350 S CB -0.455 62.944 63.200 0.331 0.000 0.836 350 S HN 0.658 nan 8.310 nan 0.000 0.466 351 I N 0.758 121.124 120.570 -0.340 0.000 3.265 351 I HA 0.326 4.497 4.170 0.001 0.000 0.282 351 I C 2.259 178.259 176.117 -0.196 0.000 1.207 351 I CA 0.410 61.445 61.300 -0.440 0.000 1.449 351 I CB -0.902 36.575 38.000 -0.872 0.000 1.121 351 I HN 0.107 nan 8.210 nan 0.000 0.442 352 A N 1.338 124.056 122.820 -0.170 0.000 1.948 352 A HA -0.303 4.018 4.320 0.001 0.000 0.220 352 A C 2.326 179.792 177.584 -0.197 0.000 1.177 352 A CA 2.303 54.266 52.037 -0.124 0.000 0.636 352 A CB -0.765 18.192 19.000 -0.072 0.000 0.815 352 A HN 0.481 nan 8.150 nan 0.000 0.449 353 E N -0.514 119.497 120.200 -0.315 0.000 2.130 353 E HA -0.208 4.142 4.350 0.001 0.000 0.196 353 E C 0.663 176.868 176.600 -0.659 0.000 0.998 353 E CA 1.604 57.667 56.400 -0.561 0.000 0.806 353 E CB -0.477 28.709 29.700 -0.857 0.000 0.738 353 E HN 0.768 nan 8.360 nan 0.000 0.459 354 Y N -0.963 119.265 120.300 -0.121 0.000 2.756 354 Y HA 0.497 5.047 4.550 0.001 0.000 0.300 354 Y C 1.554 177.374 175.900 -0.133 0.000 1.113 354 Y CA -0.118 57.907 58.100 -0.126 0.000 1.291 354 Y CB 0.047 38.434 38.460 -0.121 0.000 1.175 354 Y HN 0.121 nan 8.280 nan 0.000 0.534 355 A N 0.466 123.248 122.820 -0.064 0.000 1.940 355 A HA -0.199 4.121 4.320 0.001 0.000 0.219 355 A C 2.083 179.624 177.584 -0.072 0.000 1.176 355 A CA 1.761 53.760 52.037 -0.062 0.000 0.631 355 A CB -0.556 18.389 19.000 -0.093 0.000 0.814 355 A HN 0.620 nan 8.150 nan 0.000 0.446 356 I N -0.707 119.782 120.570 -0.134 0.000 2.142 356 I HA -0.267 3.903 4.170 0.001 0.000 0.240 356 I C 2.494 178.548 176.117 -0.105 0.000 1.078 356 I CA 1.833 63.039 61.300 -0.158 0.000 1.343 356 I CB -0.457 37.337 38.000 -0.343 0.000 1.046 356 I HN 0.292 nan 8.210 nan 0.000 0.405 357 E N 0.216 120.339 120.200 -0.128 0.000 2.118 357 E HA -0.208 4.143 4.350 0.001 0.000 0.195 357 E C 2.232 178.788 176.600 -0.073 0.000 0.992 357 E CA 1.482 57.725 56.400 -0.263 0.000 0.804 357 E CB -0.419 29.126 29.700 -0.259 0.000 0.741 357 E HN 0.507 nan 8.360 nan 0.000 0.458 358 C N -0.080 119.223 119.300 0.005 0.000 2.432 358 C HA -0.086 4.374 4.460 0.001 0.000 0.277 358 C C 2.800 177.834 174.990 0.074 0.000 1.249 358 C CA 0.947 60.014 59.018 0.082 0.000 1.725 358 C CB -0.873 26.932 27.740 0.107 0.000 2.028 358 C HN 0.380 nan 8.230 nan 0.000 0.477 359 S N 1.051 116.775 115.700 0.040 0.000 2.382 359 S HA -0.069 4.402 4.470 0.001 0.000 0.228 359 S C 1.726 176.371 174.600 0.076 0.000 1.027 359 S CA 1.207 59.439 58.200 0.053 0.000 0.991 359 S CB -0.361 62.860 63.200 0.035 0.000 0.823 359 S HN 0.551 nan 8.310 nan 0.000 0.469 360 L N 1.642 122.900 121.223 0.057 0.000 2.017 360 L HA -0.152 4.188 4.340 0.001 0.000 0.208 360 L C 2.238 179.212 176.870 0.173 0.000 1.073 360 L CA 0.963 55.865 54.840 0.102 0.000 0.745 360 L CB -0.769 41.307 42.059 0.028 0.000 0.894 360 L HN 0.246 nan 8.230 nan 0.000 0.432 361 N N 0.060 118.854 118.700 0.157 0.000 2.104 361 N HA -0.204 4.537 4.740 0.001 0.000 0.190 361 N C 1.824 177.446 175.510 0.186 0.000 1.024 361 N CA 1.058 54.226 53.050 0.196 0.000 0.853 361 N CB -0.304 38.284 38.487 0.168 0.000 1.008 361 N HN 0.197 nan 8.380 nan 0.000 0.424 362 K N 1.311 121.796 120.400 0.141 0.000 2.032 362 K HA -0.071 4.250 4.320 0.001 0.000 0.209 362 K C 1.848 178.522 176.600 0.123 0.000 1.048 362 K CA 0.980 57.336 56.287 0.115 0.000 0.927 362 K CB -0.361 32.193 32.500 0.089 0.000 0.712 362 K HN 0.002 nan 8.250 nan 0.000 0.441 363 V N 0.854 120.852 119.914 0.141 0.000 2.323 363 V HA -0.196 3.925 4.120 0.001 0.000 0.244 363 V C 2.260 178.455 176.094 0.168 0.000 1.041 363 V CA 1.755 64.136 62.300 0.135 0.000 1.025 363 V CB -0.621 31.283 31.823 0.135 0.000 0.656 363 V HN 0.224 nan 8.190 nan 0.000 0.451 364 F N 1.946 121.942 119.950 0.076 0.000 2.084 364 F HA -0.008 4.520 4.527 0.001 0.000 0.296 364 F C 2.276 178.111 175.800 0.058 0.000 1.111 364 F CA 1.745 59.793 58.000 0.080 0.000 1.224 364 F CB -0.914 38.142 39.000 0.094 0.000 0.991 364 F HN 0.142 nan 8.300 nan 0.000 0.471 365 G N -0.460 108.445 108.800 0.175 0.000 2.476 365 G HA2 -0.375 3.585 3.960 0.001 0.000 0.218 365 G HA3 -0.375 3.585 3.960 0.001 0.000 0.218 365 G C 1.768 176.656 174.900 -0.019 0.000 1.164 365 G CA 1.487 46.618 45.100 0.052 0.000 0.768 365 G HN 0.529 nan 8.290 nan 0.000 0.560 366 S N 0.454 116.163 115.700 0.015 0.000 2.383 366 S HA -0.053 4.418 4.470 0.001 0.000 0.227 366 S C 2.012 176.591 174.600 -0.034 0.000 1.026 366 S CA 1.657 59.857 58.200 0.000 0.000 0.981 366 S CB -0.338 62.877 63.200 0.025 0.000 0.818 366 S HN 0.582 nan 8.310 nan 0.000 0.472 367 E N 0.732 120.899 120.200 -0.055 0.000 2.107 367 E HA -0.031 4.320 4.350 0.001 0.000 0.191 367 E C 2.165 178.707 176.600 -0.096 0.000 0.982 367 E CA 1.067 57.428 56.400 -0.066 0.000 0.809 367 E CB -0.300 29.368 29.700 -0.053 0.000 0.756 367 E HN 0.402 nan 8.360 nan 0.000 0.459 368 V N 1.597 121.375 119.914 -0.226 0.000 2.295 368 V HA -0.244 3.877 4.120 0.001 0.000 0.246 368 V C 2.320 178.404 176.094 -0.017 0.000 1.049 368 V CA 1.398 63.588 62.300 -0.183 0.000 1.024 368 V CB -0.371 31.241 31.823 -0.350 0.000 0.648 368 V HN 0.231 nan 8.190 nan 0.000 0.447 369 L N 0.637 121.838 121.223 -0.036 0.000 2.042 369 L HA -0.207 4.134 4.340 0.001 0.000 0.210 369 L C 2.280 179.151 176.870 0.002 0.000 1.076 369 L CA 2.385 57.221 54.840 -0.007 0.000 0.749 369 L CB -1.044 41.006 42.059 -0.014 0.000 0.893 369 L HN 0.466 nan 8.230 nan 0.000 0.432 370 D N -1.721 118.673 120.400 -0.010 0.000 2.149 370 D HA -0.317 4.323 4.640 0.001 0.000 0.198 370 D C 2.086 178.407 176.300 0.036 0.000 0.990 370 D CA 1.693 55.678 54.000 -0.026 0.000 0.839 370 D CB -0.122 40.660 40.800 -0.030 0.000 0.948 370 D HN 0.572 nan 8.370 nan 0.000 0.460 371 Y N 1.262 121.548 120.300 -0.023 0.000 2.220 371 Y HA -0.154 4.397 4.550 0.001 0.000 0.291 371 Y C 2.649 178.572 175.900 0.038 0.000 1.129 371 Y CA 2.647 60.756 58.100 0.014 0.000 1.161 371 Y CB -0.691 37.771 38.460 0.004 0.000 0.997 371 Y HN 0.041 nan 8.280 nan 0.000 0.522 372 T N -1.684 112.909 114.554 0.064 0.000 2.821 372 T HA -0.163 4.188 4.350 0.001 0.000 0.267 372 T C 1.863 176.546 174.700 -0.028 0.000 1.046 372 T CA 1.622 63.721 62.100 -0.000 0.000 1.139 372 T CB -1.354 67.565 68.868 0.086 0.000 0.871 372 T HN 0.325 nan 8.240 nan 0.000 0.454 373 V N 0.104 120.020 119.914 0.003 0.000 2.548 373 V HA 0.009 4.130 4.120 0.001 0.000 0.249 373 V C 2.249 178.417 176.094 0.122 0.000 1.055 373 V CA 1.999 64.333 62.300 0.057 0.000 1.065 373 V CB -1.165 30.695 31.823 0.062 0.000 0.681 373 V HN 0.420 nan 8.190 nan 0.000 0.462 374 D N 0.424 120.870 120.400 0.077 0.000 2.117 374 D HA -0.170 4.471 4.640 0.001 0.000 0.198 374 D C 2.188 178.458 176.300 -0.050 0.000 0.982 374 D CA 1.430 55.494 54.000 0.106 0.000 0.828 374 D CB -0.050 40.781 40.800 0.051 0.000 0.967 374 D HN 0.431 nan 8.370 nan 0.000 0.464 375 E N -0.301 119.774 120.200 -0.208 0.000 2.152 375 E HA -0.016 4.334 4.350 0.001 0.000 0.192 375 E C 2.166 178.751 176.600 -0.026 0.000 0.983 375 E CA 0.933 57.228 56.400 -0.175 0.000 0.818 375 E CB -0.641 28.868 29.700 -0.318 0.000 0.758 375 E HN 0.420 nan 8.360 nan 0.000 0.467 376 G N 0.861 109.666 108.800 0.008 0.000 2.418 376 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 376 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 376 G C 1.834 176.797 174.900 0.105 0.000 1.158 376 G CA 0.786 45.946 45.100 0.100 0.000 0.771 376 G HN 0.190 nan 8.290 nan 0.000 0.545 377 V N 0.445 120.362 119.914 0.004 0.000 2.343 377 V HA -0.221 3.900 4.120 0.001 0.000 0.247 377 V C 2.817 178.911 176.094 0.000 0.000 1.051 377 V CA 2.302 64.565 62.300 -0.062 0.000 1.036 377 V CB -0.320 31.408 31.823 -0.159 0.000 0.654 377 V HN 0.403 nan 8.190 nan 0.000 0.451 378 Q N 0.037 119.841 119.800 0.006 0.000 2.084 378 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 378 Q C 1.938 177.984 176.000 0.077 0.000 0.978 378 Q CA 1.862 57.675 55.803 0.017 0.000 0.844 378 Q CB -0.453 28.287 28.738 0.004 0.000 0.898 378 Q HN 0.654 nan 8.270 nan 0.000 0.426 379 I N -0.267 120.373 120.570 0.116 0.000 2.264 379 I HA -0.289 3.882 4.170 0.001 0.000 0.248 379 I C 1.384 177.592 176.117 0.152 0.000 1.111 379 I CA 1.319 62.711 61.300 0.153 0.000 1.382 379 I CB -0.200 37.898 38.000 0.163 0.000 1.060 379 I HN 0.308 nan 8.210 nan 0.000 0.418 380 H N 0.506 119.537 119.070 -0.065 0.000 2.551 380 H HA 0.165 4.722 4.556 0.001 0.000 0.266 380 H C 1.478 176.783 175.328 -0.039 0.000 0.977 380 H CA 0.439 56.310 56.048 -0.295 0.000 1.163 380 H CB -0.452 29.004 29.762 -0.511 0.000 1.381 380 H HN 0.394 nan 8.280 nan 0.000 0.581 381 G N 0.173 109.042 108.800 0.114 0.000 2.614 381 G HA2 -0.397 3.564 3.960 0.001 0.000 0.303 381 G HA3 -0.397 3.564 3.960 0.001 0.000 0.303 381 G C 1.730 176.608 174.900 -0.038 0.000 1.270 381 G CA 0.336 45.471 45.100 0.059 0.000 0.988 381 G HN 0.550 nan 8.290 nan 0.000 0.551 382 G N -1.440 107.276 108.800 -0.139 0.000 2.462 382 G HA2 -0.021 3.940 3.960 0.001 0.000 0.220 382 G HA3 -0.021 3.940 3.960 0.001 0.000 0.220 382 G C 1.506 176.201 174.900 -0.342 0.000 1.121 382 G CA 1.825 46.762 45.100 -0.272 0.000 0.758 382 G HN 0.682 nan 8.290 nan 0.000 0.559 383 Y N 0.853 121.028 120.300 -0.209 0.000 2.421 383 Y HA 0.056 4.607 4.550 0.001 0.000 0.292 383 Y C 2.868 178.499 175.900 -0.448 0.000 1.136 383 Y CA 0.445 58.242 58.100 -0.505 0.000 1.255 383 Y CB -0.435 37.425 38.460 -1.000 0.000 0.991 383 Y HN 0.193 nan 8.280 nan 0.000 0.552 384 G N -0.992 107.714 108.800 -0.156 0.000 2.559 384 G HA2 -0.149 3.812 3.960 0.001 0.000 0.216 384 G HA3 -0.149 3.812 3.960 0.001 0.000 0.216 384 G C 0.320 175.193 174.900 -0.045 0.000 1.126 384 G CA 0.068 45.073 45.100 -0.158 0.000 0.778 384 G HN 0.305 nan 8.290 nan 0.000 0.543 388 E N -0.727 119.499 120.200 0.043 0.000 2.418 388 E HA -0.014 4.336 4.350 0.001 0.000 0.197 388 E C -0.675 175.797 176.600 -0.214 0.000 1.026 388 E CA 0.606 56.963 56.400 -0.072 0.000 0.862 388 E CB -0.034 29.615 29.700 -0.085 0.000 0.799 388 E HN 0.710 nan 8.360 nan 0.000 0.518 389 Y N 0.556 120.841 120.300 -0.026 0.000 2.342 389 Y HA 0.073 4.623 4.550 0.001 0.000 0.334 389 Y C 1.429 177.279 175.900 -0.083 0.000 1.067 389 Y CA -0.514 57.559 58.100 -0.045 0.000 1.128 389 Y CB 1.268 39.692 38.460 -0.061 0.000 1.200 389 Y HN -0.120 nan 8.280 nan 0.000 0.464 390 E N 2.085 122.298 120.200 0.021 0.000 2.097 390 E HA -0.258 4.092 4.350 0.001 0.000 0.196 390 E C 1.776 178.364 176.600 -0.019 0.000 1.000 390 E CA 1.671 58.070 56.400 -0.002 0.000 0.804 390 E CB 0.040 29.747 29.700 0.010 0.000 0.740 390 E HN 0.804 nan 8.360 nan 0.000 0.454 391 I N 1.585 122.100 120.570 -0.091 0.000 2.361 391 I HA -0.234 3.937 4.170 0.001 0.000 0.251 391 I C 2.241 178.321 176.117 -0.062 0.000 1.133 391 I CA 1.313 62.528 61.300 -0.141 0.000 1.413 391 I CB -0.250 37.485 38.000 -0.442 0.000 1.073 391 I HN 0.190 nan 8.210 nan 0.000 0.424 392 E N 1.137 121.303 120.200 -0.057 0.000 2.077 392 E HA -0.224 4.127 4.350 0.001 0.000 0.193 392 E C 1.591 178.206 176.600 0.025 0.000 0.989 392 E CA 0.637 57.020 56.400 -0.028 0.000 0.800 392 E CB -0.091 29.584 29.700 -0.042 0.000 0.746 392 E HN 0.428 nan 8.360 nan 0.000 0.452 396 R N 0.923 121.478 120.500 0.092 0.000 2.075 396 R HA -0.091 4.250 4.340 0.001 0.000 0.232 396 R C 1.009 177.263 176.300 -0.077 0.000 1.126 396 R CA 1.805 57.903 56.100 -0.003 0.000 0.963 396 R CB -0.209 30.114 30.300 0.039 0.000 0.858 396 R HN 0.368 nan 8.270 nan 0.000 0.435 397 D N 0.080 120.456 120.400 -0.040 0.000 2.117 397 D HA -0.152 4.489 4.640 0.001 0.000 0.197 397 D C 1.819 178.067 176.300 -0.088 0.000 0.987 397 D CA 1.287 55.266 54.000 -0.036 0.000 0.829 397 D CB -0.399 40.412 40.800 0.019 0.000 0.961 397 D HN 0.039 nan 8.370 nan 0.000 0.460 398 S N 0.176 115.807 115.700 -0.114 0.000 2.387 398 S HA -0.243 4.228 4.470 0.001 0.000 0.230 398 S C 1.950 176.436 174.600 -0.189 0.000 1.035 398 S CA 1.375 59.495 58.200 -0.134 0.000 1.014 398 S CB -0.016 63.087 63.200 -0.161 0.000 0.836 398 S HN 0.001 nan 8.310 nan 0.000 0.466 399 R N 0.718 121.074 120.500 -0.240 0.000 2.120 399 R HA 0.091 4.432 4.340 0.001 0.000 0.234 399 R C 1.889 178.025 176.300 -0.273 0.000 1.123 399 R CA 1.378 57.329 56.100 -0.247 0.000 0.975 399 R CB -0.904 29.250 30.300 -0.243 0.000 0.866 399 R HN 0.539 nan 8.270 nan 0.000 0.446 400 I N 0.772 121.123 120.570 -0.365 0.000 2.928 400 I HA -0.080 4.091 4.170 0.001 0.000 0.266 400 I C 0.681 176.353 176.117 -0.742 0.000 1.234 400 I CA 0.940 61.871 61.300 -0.616 0.000 1.483 400 I CB -0.289 37.222 38.000 -0.814 0.000 1.097 400 I HN 0.149 nan 8.210 nan 0.000 0.455 401 N N 1.056 119.516 118.700 -0.400 0.000 2.364 401 N HA -0.128 4.613 4.740 0.001 0.000 0.183 401 N C 1.590 177.070 175.510 -0.050 0.000 1.022 401 N CA 0.887 53.864 53.050 -0.122 0.000 0.883 401 N CB -0.311 38.183 38.487 0.011 0.000 0.965 401 N HN 0.461 nan 8.380 nan 0.000 0.438 402 R N -0.162 120.272 120.500 -0.111 0.000 2.313 402 R HA 0.233 4.574 4.340 0.001 0.000 0.199 402 R C 1.335 177.608 176.300 -0.047 0.000 0.958 402 R CA 0.349 56.418 56.100 -0.051 0.000 1.047 402 R CB 0.277 30.541 30.300 -0.060 0.000 0.955 402 R HN 0.262 nan 8.270 nan 0.000 0.481 403 I N -0.670 119.836 120.570 -0.106 0.000 3.812 403 I HA 0.089 4.259 4.170 0.001 0.000 0.292 403 I C 0.817 176.967 176.117 0.054 0.000 1.206 403 I CA -0.198 61.057 61.300 -0.075 0.000 1.370 403 I CB 0.287 38.178 38.000 -0.182 0.000 1.328 403 I HN -0.054 nan 8.210 nan 0.000 0.453 404 F N 0.902 120.826 119.950 -0.044 0.000 2.375 404 F HA 0.391 4.919 4.527 0.001 0.000 0.313 404 F C 0.502 176.294 175.800 -0.015 0.000 1.176 404 F CA -0.991 56.994 58.000 -0.025 0.000 1.142 404 F CB 0.449 39.429 39.000 -0.034 0.000 1.275 404 F HN -0.006 nan 8.300 nan 0.000 0.544 405 E N 0.362 120.662 120.200 0.168 0.000 2.476 405 E HA -0.146 4.205 4.350 0.001 0.000 0.251 405 E C 0.234 176.881 176.600 0.078 0.000 1.130 405 E CA 1.287 57.716 56.400 0.048 0.000 0.736 405 E CB -2.034 27.666 29.700 -0.000 0.000 1.298 405 E HN 1.460 nan 8.360 nan 0.000 0.400 406 G N 0.081 108.940 108.800 0.098 0.000 3.172 406 G HA2 -0.129 3.832 3.960 0.001 0.000 0.686 406 G HA3 -0.129 3.832 3.960 0.001 0.000 0.686 406 G C 0.301 175.253 174.900 0.086 0.000 1.009 406 G CA 0.171 45.322 45.100 0.085 0.000 0.787 406 G HN 0.749 nan 8.290 nan 0.000 0.559 407 T N 0.731 115.327 114.554 0.071 0.000 2.855 407 T HA 0.226 4.577 4.350 0.001 0.000 0.314 407 T C 1.556 176.285 174.700 0.048 0.000 1.077 407 T CA 0.402 62.533 62.100 0.051 0.000 1.095 407 T CB 0.834 69.724 68.868 0.038 0.000 0.987 407 T HN 0.506 nan 8.240 nan 0.000 0.546 408 N N 1.112 119.836 118.700 0.039 0.000 2.289 408 N HA -0.081 4.659 4.740 0.001 0.000 0.184 408 N C 1.683 177.216 175.510 0.038 0.000 1.016 408 N CA 1.039 54.115 53.050 0.043 0.000 0.872 408 N CB -0.440 38.071 38.487 0.039 0.000 0.973 408 N HN 0.700 nan 8.380 nan 0.000 0.433 409 E N 0.735 120.953 120.200 0.030 0.000 2.031 409 E HA -0.060 4.291 4.350 0.001 0.000 0.193 409 E C 1.956 178.572 176.600 0.026 0.000 0.994 409 E CA 0.582 56.996 56.400 0.024 0.000 0.800 409 E CB -0.239 29.473 29.700 0.019 0.000 0.752 409 E HN 0.260 nan 8.360 nan 0.000 0.447 410 I N 1.386 121.976 120.570 0.033 0.000 2.179 410 I HA -0.244 3.927 4.170 0.001 0.000 0.242 410 I C 1.795 177.935 176.117 0.038 0.000 1.088 410 I CA 1.218 62.539 61.300 0.036 0.000 1.357 410 I CB -1.044 36.984 38.000 0.047 0.000 1.051 410 I HN 0.203 nan 8.210 nan 0.000 0.409 411 N N 0.970 119.698 118.700 0.047 0.000 2.137 411 N HA -0.204 4.537 4.740 0.001 0.000 0.190 411 N C 1.946 177.482 175.510 0.044 0.000 1.017 411 N CA 1.318 54.397 53.050 0.049 0.000 0.859 411 N CB -0.167 38.356 38.487 0.060 0.000 1.002 411 N HN 0.441 nan 8.380 nan 0.000 0.428 412 R N 0.698 121.223 120.500 0.041 0.000 2.066 412 R HA 0.042 4.383 4.340 0.001 0.000 0.232 412 R C 2.420 178.735 176.300 0.024 0.000 1.131 412 R CA 0.697 56.818 56.100 0.035 0.000 0.955 412 R CB -0.331 29.983 30.300 0.024 0.000 0.851 412 R HN 0.174 nan 8.270 nan 0.000 0.432 413 L N 1.087 122.319 121.223 0.015 0.000 2.131 413 L HA -0.150 4.191 4.340 0.001 0.000 0.210 413 L C 2.420 179.292 176.870 0.003 0.000 1.092 413 L CA 1.134 55.976 54.840 0.004 0.000 0.759 413 L CB -0.455 41.603 42.059 -0.002 0.000 0.903 413 L HN 0.330 nan 8.230 nan 0.000 0.435 414 I N -4.457 116.116 120.570 0.005 0.000 3.059 414 I HA -0.072 4.098 4.170 0.001 0.000 0.270 414 I C 2.236 178.348 176.117 -0.009 0.000 1.238 414 I CA 0.374 61.666 61.300 -0.013 0.000 1.478 414 I CB -0.259 37.727 38.000 -0.023 0.000 1.097 414 I HN -0.113 nan 8.210 nan 0.000 0.455 415 V N 2.730 122.658 119.914 0.024 0.000 2.233 415 V HA -0.152 3.969 4.120 0.001 0.000 0.247 415 V C 0.116 176.303 176.094 0.154 0.000 1.050 415 V CA 2.580 64.917 62.300 0.061 0.000 1.010 415 V CB -1.979 29.914 31.823 0.117 0.000 0.637 415 V HN 0.381 nan 8.190 nan 0.000 0.444 416 P HA -0.089 nan 4.420 nan 0.000 0.217 416 P C 1.618 178.994 177.300 0.127 0.000 1.150 416 P CA 1.756 64.960 63.100 0.172 0.000 0.832 416 P CB -0.309 31.429 31.700 0.064 0.000 0.787 417 G N -1.226 107.603 108.800 0.049 0.000 2.422 417 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 417 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 417 G C 1.376 176.267 174.900 -0.015 0.000 1.140 417 G CA 1.102 46.206 45.100 0.007 0.000 0.775 417 G HN 0.186 nan 8.290 nan 0.000 0.545 418 T N 0.919 115.446 114.554 -0.045 0.000 2.812 418 T HA -0.003 4.347 4.350 0.001 0.000 0.264 418 T C 1.995 176.610 174.700 -0.142 0.000 1.042 418 T CA 0.560 62.582 62.100 -0.131 0.000 1.140 418 T CB -0.285 68.460 68.868 -0.205 0.000 0.870 418 T HN 0.169 nan 8.240 nan 0.000 0.445 419 F N 1.079 120.986 119.950 -0.072 0.000 2.120 419 F HA -0.064 4.464 4.527 0.001 0.000 0.300 419 F C 1.986 177.743 175.800 -0.071 0.000 1.095 419 F CA 0.805 58.755 58.000 -0.082 0.000 1.249 419 F CB -0.632 38.314 39.000 -0.090 0.000 0.995 419 F HN 0.078 nan 8.300 nan 0.000 0.480 420 L N -0.285 121.018 121.223 0.134 0.000 2.072 420 L HA -0.122 4.218 4.340 0.001 0.000 0.205 420 L C 2.515 179.393 176.870 0.014 0.000 1.079 420 L CA 1.404 56.279 54.840 0.058 0.000 0.752 420 L CB -1.064 41.017 42.059 0.036 0.000 0.906 420 L HN 0.047 nan 8.230 nan 0.000 0.436 421 R N 0.231 120.722 120.500 -0.014 0.000 2.083 421 R HA -0.216 4.125 4.340 0.001 0.000 0.237 421 R C 2.182 178.458 176.300 -0.040 0.000 1.137 421 R CA 1.764 57.840 56.100 -0.040 0.000 0.951 421 R CB -0.130 30.128 30.300 -0.070 0.000 0.851 421 R HN 0.296 nan 8.270 nan 0.000 0.434 422 K N 0.206 120.579 120.400 -0.045 0.000 2.097 422 K HA -0.009 4.311 4.320 0.001 0.000 0.206 422 K C 1.194 177.787 176.600 -0.012 0.000 1.049 422 K CA 0.877 57.137 56.287 -0.044 0.000 0.933 422 K CB -0.116 32.341 32.500 -0.072 0.000 0.717 422 K HN 0.258 nan 8.250 nan 0.000 0.442 426 G N 2.215 111.007 108.800 -0.013 0.000 2.153 426 G HA2 -0.332 3.628 3.960 0.001 0.000 0.252 426 G HA3 -0.332 3.628 3.960 0.001 0.000 0.252 426 G C 0.314 175.208 174.900 -0.010 0.000 0.994 426 G CA 0.964 46.059 45.100 -0.009 0.000 0.698 426 G HN 0.508 nan 8.290 nan 0.000 0.521 427 E N -0.876 119.315 120.200 -0.016 0.000 2.208 427 E HA 0.235 4.585 4.350 0.001 0.000 0.193 427 E C 1.009 177.604 176.600 -0.008 0.000 0.988 427 E CA 0.468 56.857 56.400 -0.019 0.000 0.828 427 E CB 0.003 29.679 29.700 -0.039 0.000 0.763 427 E HN 0.572 nan 8.360 nan 0.000 0.478 428 L N 1.529 122.752 121.223 0.001 0.000 2.381 428 L HA 0.369 4.710 4.340 0.001 0.000 0.274 428 L C -2.197 174.679 176.870 0.010 0.000 0.988 428 L CA -2.105 52.745 54.840 0.016 0.000 0.824 428 L CB 2.049 44.138 42.059 0.049 0.000 1.263 428 L HN -0.079 nan 8.230 nan 0.000 0.410 429 P HA 0.101 nan 4.420 nan 0.000 0.228 429 P C 0.858 178.151 177.300 -0.011 0.000 1.748 429 P CA -0.078 63.020 63.100 -0.002 0.000 0.909 429 P CB 0.080 31.779 31.700 -0.001 0.000 1.882 430 L N -0.735 120.481 121.223 -0.011 0.000 2.275 430 L HA -0.128 4.213 4.340 0.001 0.000 0.215 430 L C 2.089 178.941 176.870 -0.030 0.000 1.119 430 L CA 0.732 55.554 54.840 -0.030 0.000 0.790 430 L CB -0.553 41.488 42.059 -0.031 0.000 0.919 430 L HN 0.178 nan 8.230 nan 0.000 0.443 431 L N -0.146 121.066 121.223 -0.019 0.000 2.068 431 L HA -0.152 4.188 4.340 0.001 0.000 0.204 431 L C 2.569 179.429 176.870 -0.016 0.000 1.076 431 L CA 1.634 56.464 54.840 -0.017 0.000 0.753 431 L CB -0.777 41.275 42.059 -0.012 0.000 0.910 431 L HN 0.218 nan 8.230 nan 0.000 0.439 432 Q N -0.497 119.295 119.800 -0.013 0.000 2.096 432 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 432 Q C 1.932 177.924 176.000 -0.014 0.000 0.982 432 Q CA 1.594 57.391 55.803 -0.011 0.000 0.850 432 Q CB 0.074 28.808 28.738 -0.007 0.000 0.901 432 Q HN 0.401 nan 8.270 nan 0.000 0.422 433 K N 0.198 120.587 120.400 -0.019 0.000 2.057 433 K HA -0.092 4.228 4.320 0.001 0.000 0.207 433 K C 1.995 178.578 176.600 -0.027 0.000 1.049 433 K CA 1.228 57.501 56.287 -0.023 0.000 0.931 433 K CB -0.556 31.924 32.500 -0.033 0.000 0.714 433 K HN 0.289 nan 8.250 nan 0.000 0.440 434 A N 1.576 124.377 122.820 -0.032 0.000 1.969 434 A HA -0.173 4.147 4.320 0.001 0.000 0.218 434 A C 2.199 179.769 177.584 -0.023 0.000 1.169 434 A CA 1.221 53.238 52.037 -0.033 0.000 0.635 434 A CB -0.340 18.637 19.000 -0.039 0.000 0.810 434 A HN 0.382 nan 8.150 nan 0.000 0.445 435 Q N -0.178 119.611 119.800 -0.018 0.000 2.083 435 Q HA -0.095 4.246 4.340 0.001 0.000 0.198 435 Q C 1.929 177.922 176.000 -0.010 0.000 0.969 435 Q CA 1.421 57.216 55.803 -0.013 0.000 0.838 435 Q CB -0.165 28.566 28.738 -0.011 0.000 0.900 435 Q HN 0.575 nan 8.270 nan 0.000 0.436 436 K N 0.415 120.809 120.400 -0.010 0.000 2.147 436 K HA -0.143 4.178 4.320 0.001 0.000 0.205 436 K C 2.052 178.648 176.600 -0.006 0.000 1.049 436 K CA 0.774 57.057 56.287 -0.006 0.000 0.936 436 K CB -0.119 32.378 32.500 -0.005 0.000 0.722 436 K HN 0.119 nan 8.250 nan 0.000 0.446 437 L N 1.451 122.667 121.223 -0.011 0.000 2.044 437 L HA -0.125 4.215 4.340 0.001 0.000 0.205 437 L C 1.989 178.855 176.870 -0.007 0.000 1.075 437 L CA 1.706 56.540 54.840 -0.010 0.000 0.747 437 L CB -0.380 41.668 42.059 -0.019 0.000 0.903 437 L HN -0.024 nan 8.230 nan 0.000 0.435 438 Q N -0.321 119.473 119.800 -0.009 0.000 2.439 438 Q HA -0.197 4.144 4.340 0.001 0.000 0.211 438 Q C 2.041 178.039 176.000 -0.003 0.000 0.978 438 Q CA 1.491 57.290 55.803 -0.007 0.000 0.897 438 Q CB -0.063 28.669 28.738 -0.010 0.000 0.956 438 Q HN 0.703 nan 8.270 nan 0.000 0.483 439 E N -0.199 120.000 120.200 -0.002 0.000 2.127 439 E HA -0.095 4.256 4.350 0.001 0.000 0.191 439 E C 1.185 177.787 176.600 0.005 0.000 0.964 439 E CA 0.292 56.693 56.400 0.001 0.000 0.832 439 E CB 0.199 29.900 29.700 0.001 0.000 0.790 439 E HN 0.352 nan 8.360 nan 0.000 0.465 440 E N 0.604 120.807 120.200 0.005 0.000 2.209 440 E HA -0.119 4.231 4.350 0.001 0.000 0.196 440 E C 0.731 177.339 176.600 0.013 0.000 0.993 440 E CA 0.323 56.729 56.400 0.010 0.000 0.819 440 E CB 0.048 29.754 29.700 0.009 0.000 0.745 440 E HN 0.253 nan 8.360 nan 0.000 0.477 450 G N -0.299 108.468 108.800 -0.055 0.000 2.358 450 G HA2 0.365 4.326 3.960 0.001 0.000 0.301 450 G HA3 0.365 4.326 3.960 0.001 0.000 0.301 450 G C -0.881 174.006 174.900 -0.021 0.000 1.539 450 G CA 0.330 45.415 45.100 -0.026 0.000 0.893 450 G HN -0.092 nan 8.290 nan 0.000 0.636 451 D N -0.212 120.181 120.400 -0.011 0.000 2.380 451 D HA 0.081 4.722 4.640 0.001 0.000 0.212 451 D C 0.809 177.105 176.300 -0.006 0.000 1.021 451 D CA 0.396 54.390 54.000 -0.010 0.000 0.884 451 D CB 0.301 41.096 40.800 -0.008 0.000 1.001 451 D HN 0.512 nan 8.370 nan 0.000 0.506 452 E N 2.923 123.122 120.200 -0.002 0.000 2.508 452 E HA -0.000 4.350 4.350 0.001 0.000 0.266 452 E C -2.025 174.575 176.600 0.001 0.000 1.010 452 E CA -0.833 55.568 56.400 0.002 0.000 0.955 452 E CB -0.441 29.265 29.700 0.009 0.000 0.946 452 E HN 0.165 nan 8.360 nan 0.000 0.454 453 P HA -0.039 nan 4.420 nan 0.000 0.265 453 P C 0.594 177.900 177.300 0.010 0.000 1.193 453 P CA 0.231 63.332 63.100 0.001 0.000 0.765 453 P CB 0.478 32.177 31.700 -0.002 0.000 0.823 454 L N -0.484 120.747 121.223 0.013 0.000 4.950 454 L HA -0.325 4.016 4.340 0.001 0.000 0.413 454 L C 1.797 178.683 176.870 0.027 0.000 1.020 454 L CA 0.763 55.618 54.840 0.025 0.000 1.239 454 L CB -2.232 39.847 42.059 0.033 0.000 2.004 454 L HN 0.420 nan 8.230 nan 0.000 0.658 455 A N 0.356 123.187 122.820 0.018 0.000 1.883 455 A HA -0.214 4.106 4.320 0.001 0.000 0.217 455 A C 1.923 179.526 177.584 0.031 0.000 1.186 455 A CA 2.263 54.313 52.037 0.022 0.000 0.624 455 A CB -0.283 18.718 19.000 0.002 0.000 0.822 455 A HN 0.429 nan 8.150 nan 0.000 0.444 456 L N -0.504 120.722 121.223 0.004 0.000 2.012 456 L HA -0.212 4.128 4.340 0.001 0.000 0.210 456 L C 2.369 179.240 176.870 0.002 0.000 1.073 456 L CA 2.630 57.464 54.840 -0.010 0.000 0.748 456 L CB -0.809 41.235 42.059 -0.025 0.000 0.891 456 L HN 0.414 nan 8.230 nan 0.000 0.431 457 Q N -0.195 119.608 119.800 0.006 0.000 2.119 457 Q HA -0.154 4.187 4.340 0.001 0.000 0.201 457 Q C 2.215 178.229 176.000 0.022 0.000 0.972 457 Q CA 1.713 57.519 55.803 0.006 0.000 0.847 457 Q CB -0.242 28.523 28.738 0.045 0.000 0.903 457 Q HN 0.495 nan 8.270 nan 0.000 0.433 458 K N -0.684 119.744 120.400 0.046 0.000 2.057 458 K HA -0.190 4.131 4.320 0.001 0.000 0.207 458 K C 1.990 178.621 176.600 0.050 0.000 1.049 458 K CA 1.338 57.657 56.287 0.052 0.000 0.931 458 K CB -0.305 32.231 32.500 0.059 0.000 0.714 458 K HN 0.200 nan 8.250 nan 0.000 0.440 459 Y N 2.006 122.269 120.300 -0.061 0.000 2.097 459 Y HA -0.238 4.313 4.550 0.001 0.000 0.282 459 Y C 1.855 177.675 175.900 -0.134 0.000 1.152 459 Y CA 1.473 59.522 58.100 -0.084 0.000 1.136 459 Y CB -0.274 38.124 38.460 -0.105 0.000 0.975 459 Y HN -0.064 nan 8.280 nan 0.000 0.498 460 L N -1.251 119.860 121.223 -0.187 0.000 2.042 460 L HA -0.253 4.088 4.340 0.001 0.000 0.210 460 L C 2.385 179.209 176.870 -0.077 0.000 1.076 460 L CA 1.296 55.885 54.840 -0.418 0.000 0.749 460 L CB -0.961 40.752 42.059 -0.576 0.000 0.893 460 L HN 0.145 nan 8.230 nan 0.000 0.432 461 V N 0.069 119.976 119.914 -0.012 0.000 2.287 461 V HA -0.315 3.806 4.120 0.001 0.000 0.248 461 V C 2.353 178.470 176.094 0.037 0.000 1.053 461 V CA 1.937 64.275 62.300 0.064 0.000 1.027 461 V CB -0.656 31.206 31.823 0.066 0.000 0.646 461 V HN 0.507 nan 8.190 nan 0.000 0.447 462 N N 0.435 119.111 118.700 -0.040 0.000 2.069 462 N HA -0.179 4.561 4.740 0.001 0.000 0.191 462 N C 1.654 177.107 175.510 -0.095 0.000 1.031 462 N CA 1.752 54.759 53.050 -0.071 0.000 0.852 462 N CB -0.299 38.124 38.487 -0.106 0.000 1.018 462 N HN 0.468 nan 8.380 nan 0.000 0.423 463 N N 1.000 119.592 118.700 -0.181 0.000 2.244 463 N HA -0.047 4.694 4.740 0.001 0.000 0.183 463 N C 1.578 177.143 175.510 0.092 0.000 1.016 463 N CA 0.885 53.889 53.050 -0.076 0.000 0.866 463 N CB -0.392 38.014 38.487 -0.135 0.000 0.980 463 N HN 0.236 nan 8.380 nan 0.000 0.430 464 A N 1.295 124.225 122.820 0.183 0.000 1.902 464 A HA -0.150 4.171 4.320 0.001 0.000 0.217 464 A C 2.052 179.661 177.584 0.042 0.000 1.181 464 A CA 1.284 53.394 52.037 0.122 0.000 0.623 464 A CB -0.327 18.784 19.000 0.186 0.000 0.818 464 A HN 0.226 nan 8.150 nan 0.000 0.443 465 K N 0.030 120.457 120.400 0.044 0.000 2.020 465 K HA -0.195 4.126 4.320 0.001 0.000 0.212 465 K C 2.063 178.643 176.600 -0.034 0.000 1.050 465 K CA 1.879 58.170 56.287 0.006 0.000 0.929 465 K CB -0.254 32.256 32.500 0.017 0.000 0.714 465 K HN 0.454 nan 8.250 nan 0.000 0.443 466 K N 0.624 121.008 120.400 -0.026 0.000 2.097 466 K HA -0.107 4.213 4.320 0.001 0.000 0.206 466 K C 2.189 178.766 176.600 -0.037 0.000 1.049 466 K CA 1.261 57.528 56.287 -0.033 0.000 0.933 466 K CB -0.193 32.291 32.500 -0.027 0.000 0.717 466 K HN 0.126 nan 8.250 nan 0.000 0.442 467 I N 0.756 121.308 120.570 -0.031 0.000 2.202 467 I HA -0.191 3.980 4.170 0.001 0.000 0.242 467 I C 2.561 178.643 176.117 -0.059 0.000 1.091 467 I CA 1.349 62.623 61.300 -0.045 0.000 1.368 467 I CB -0.679 37.276 38.000 -0.074 0.000 1.058 467 I HN 0.275 nan 8.210 nan 0.000 0.410 468 G N 1.163 109.922 108.800 -0.068 0.000 2.459 468 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 468 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 468 G C 0.903 175.727 174.900 -0.128 0.000 1.183 468 G CA 0.287 45.329 45.100 -0.097 0.000 0.776 468 G HN 0.102 nan 8.290 nan 0.000 0.552 472 A N 0.729 123.517 122.820 -0.055 0.000 1.902 472 A HA -0.002 4.319 4.320 0.001 0.000 0.217 472 A C 2.177 179.740 177.584 -0.035 0.000 1.181 472 A CA 2.682 54.685 52.037 -0.057 0.000 0.623 472 A CB -1.113 17.816 19.000 -0.118 0.000 0.818 472 A HN 0.869 nan 8.150 nan 0.000 0.443 473 G N -0.034 108.740 108.800 -0.044 0.000 2.459 473 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 473 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 473 G C 1.553 176.446 174.900 -0.012 0.000 1.183 473 G CA 1.155 46.238 45.100 -0.029 0.000 0.776 473 G HN 0.442 nan 8.290 nan 0.000 0.552 474 L N 0.663 121.881 121.223 -0.009 0.000 2.083 474 L HA -0.021 4.320 4.340 0.001 0.000 0.209 474 L C 3.378 180.261 176.870 0.021 0.000 1.083 474 L CA 0.964 55.803 54.840 -0.002 0.000 0.752 474 L CB -0.338 41.719 42.059 -0.003 0.000 0.899 474 L HN 0.315 nan 8.230 nan 0.000 0.433 475 A N -0.020 122.832 122.820 0.053 0.000 1.898 475 A HA -0.097 4.224 4.320 0.001 0.000 0.216 475 A C 2.550 180.227 177.584 0.155 0.000 1.181 475 A CA 1.478 53.599 52.037 0.140 0.000 0.620 475 A CB -0.702 18.370 19.000 0.120 0.000 0.819 475 A HN 0.361 nan 8.150 nan 0.000 0.442 476 A N -0.440 122.425 122.820 0.076 0.000 1.940 476 A HA -0.242 4.078 4.320 0.001 0.000 0.219 476 A C 2.212 179.823 177.584 0.046 0.000 1.176 476 A CA 1.930 54.003 52.037 0.061 0.000 0.631 476 A CB -0.558 18.457 19.000 0.024 0.000 0.814 476 A HN 0.717 nan 8.150 nan 0.000 0.446 477 Q N -0.864 118.946 119.800 0.017 0.000 2.137 477 Q HA -0.130 4.211 4.340 0.001 0.000 0.198 477 Q C 2.151 178.124 176.000 -0.045 0.000 0.960 477 Q CA 1.376 57.172 55.803 -0.012 0.000 0.847 477 Q CB -0.119 28.606 28.738 -0.020 0.000 0.915 477 Q HN 0.466 nan 8.270 nan 0.000 0.448 478 K N -0.251 120.101 120.400 -0.079 0.000 2.025 478 K HA -0.135 4.186 4.320 0.001 0.000 0.207 478 K C 1.291 177.710 176.600 -0.302 0.000 1.049 478 K CA 1.383 57.523 56.287 -0.244 0.000 0.933 478 K CB -0.040 32.230 32.500 -0.384 0.000 0.714 478 K HN 0.332 nan 8.250 nan 0.000 0.438 479 Y N -0.653 119.641 120.300 -0.011 0.000 2.524 479 Y HA 0.151 4.702 4.550 0.001 0.000 0.270 479 Y C 1.537 177.431 175.900 -0.011 0.000 1.094 479 Y CA 0.553 58.647 58.100 -0.010 0.000 1.276 479 Y CB 0.172 38.626 38.460 -0.010 0.000 1.130 479 Y HN 0.336 nan 8.280 nan 0.000 0.536 480 G N 0.891 109.764 108.800 0.121 0.000 2.550 480 G HA2 -0.353 3.607 3.960 0.001 0.000 0.277 480 G HA3 -0.353 3.607 3.960 0.001 0.000 0.277 480 G C 1.174 176.111 174.900 0.061 0.000 1.190 480 G CA 0.394 45.532 45.100 0.064 0.000 0.971 480 G HN 0.156 nan 8.290 nan 0.000 0.559 481 K N 0.537 120.960 120.400 0.038 0.000 2.103 481 K HA -0.027 4.293 4.320 0.001 0.000 0.207 481 K C 2.715 179.330 176.600 0.024 0.000 1.048 481 K CA 1.760 58.060 56.287 0.022 0.000 0.930 481 K CB -0.526 31.980 32.500 0.011 0.000 0.716 481 K HN 0.874 nan 8.250 nan 0.000 0.444 482 A N 1.133 123.981 122.820 0.047 0.000 2.276 482 A HA -0.005 4.316 4.320 0.001 0.000 0.212 482 A C 1.820 179.408 177.584 0.006 0.000 1.230 482 A CA 0.120 52.179 52.037 0.036 0.000 0.844 482 A CB -0.342 18.696 19.000 0.064 0.000 0.860 482 A HN 0.177 nan 8.150 nan 0.000 0.486 483 L N 0.907 122.141 121.223 0.017 0.000 2.131 483 L HA -0.180 4.161 4.340 0.001 0.000 0.210 483 L C 2.141 178.950 176.870 -0.101 0.000 1.092 483 L CA 2.496 57.303 54.840 -0.055 0.000 0.759 483 L CB -0.477 41.592 42.059 0.016 0.000 0.903 483 L HN 0.642 nan 8.230 nan 0.000 0.435 484 D N -1.122 119.243 120.400 -0.058 0.000 2.271 484 D HA -0.253 4.388 4.640 0.001 0.000 0.207 484 D C 1.374 177.631 176.300 -0.073 0.000 0.983 484 D CA 1.094 55.059 54.000 -0.058 0.000 0.878 484 D CB -0.254 40.522 40.800 -0.041 0.000 0.920 484 D HN 0.341 nan 8.370 nan 0.000 0.479 485 K N 0.176 120.522 120.400 -0.091 0.000 2.365 485 K HA 0.025 4.345 4.320 0.001 0.000 0.197 485 K C 0.589 177.105 176.600 -0.139 0.000 1.042 485 K CA 0.272 56.503 56.287 -0.094 0.000 0.987 485 K CB 0.228 32.683 32.500 -0.075 0.000 0.779 485 K HN 0.205 nan 8.250 nan 0.000 0.484 486 E N 2.275 122.342 120.200 -0.221 0.000 2.110 486 E HA 0.051 4.401 4.350 0.001 0.000 0.300 486 E C 0.825 177.323 176.600 -0.170 0.000 1.278 486 E CA 0.012 56.241 56.400 -0.284 0.000 1.365 486 E CB 0.258 29.606 29.700 -0.586 0.000 1.283 486 E HN 0.234 nan 8.360 nan 0.000 0.490 487 Q N 0.288 120.023 119.800 -0.108 0.000 2.135 487 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 487 Q C 1.108 177.074 176.000 -0.056 0.000 0.981 487 Q CA 1.433 57.195 55.803 -0.068 0.000 0.856 487 Q CB 0.076 28.787 28.738 -0.046 0.000 0.902 487 Q HN 0.347 nan 8.270 nan 0.000 0.425 488 E N 0.880 121.048 120.200 -0.053 0.000 2.077 488 E HA -0.151 4.200 4.350 0.001 0.000 0.193 488 E C 1.854 178.436 176.600 -0.032 0.000 0.989 488 E CA 1.009 57.390 56.400 -0.031 0.000 0.800 488 E CB -0.136 29.553 29.700 -0.017 0.000 0.746 488 E HN 0.333 nan 8.360 nan 0.000 0.452 489 I N 0.413 120.952 120.570 -0.051 0.000 2.252 489 I HA -0.248 3.922 4.170 0.001 0.000 0.245 489 I C 2.123 178.214 176.117 -0.043 0.000 1.102 489 I CA 0.842 62.119 61.300 -0.039 0.000 1.385 489 I CB -0.197 37.773 38.000 -0.051 0.000 1.064 489 I HN 0.102 nan 8.210 nan 0.000 0.414 490 L N -0.082 121.107 121.223 -0.056 0.000 2.042 490 L HA -0.233 4.107 4.340 0.001 0.000 0.210 490 L C 2.576 179.424 176.870 -0.036 0.000 1.076 490 L CA 1.187 56.002 54.840 -0.041 0.000 0.749 490 L CB -0.604 41.431 42.059 -0.041 0.000 0.893 490 L HN 0.087 nan 8.230 nan 0.000 0.432 491 V N -0.071 119.818 119.914 -0.042 0.000 2.427 491 V HA -0.243 3.878 4.120 0.001 0.000 0.248 491 V C 2.209 178.236 176.094 -0.112 0.000 1.051 491 V CA 1.617 63.885 62.300 -0.053 0.000 1.048 491 V CB -0.633 31.167 31.823 -0.038 0.000 0.666 491 V HN 0.476 nan 8.190 nan 0.000 0.456 492 N N 0.332 118.967 118.700 -0.109 0.000 2.104 492 N HA -0.107 4.633 4.740 0.001 0.000 0.190 492 N C 1.730 177.151 175.510 -0.148 0.000 1.024 492 N CA 1.622 54.571 53.050 -0.167 0.000 0.853 492 N CB -0.350 38.123 38.487 -0.023 0.000 1.008 492 N HN 0.432 nan 8.380 nan 0.000 0.424 493 I N 0.833 121.358 120.570 -0.075 0.000 2.226 493 I HA -0.230 3.941 4.170 0.001 0.000 0.245 493 I C 2.247 178.338 176.117 -0.043 0.000 1.100 493 I CA 1.042 62.308 61.300 -0.056 0.000 1.374 493 I CB -0.303 37.671 38.000 -0.044 0.000 1.057 493 I HN 0.068 nan 8.210 nan 0.000 0.413 494 A N 0.397 123.201 122.820 -0.027 0.000 1.933 494 A HA -0.227 4.094 4.320 0.001 0.000 0.218 494 A C 1.931 179.522 177.584 0.011 0.000 1.175 494 A CA 2.002 54.054 52.037 0.024 0.000 0.628 494 A CB -0.518 18.498 19.000 0.027 0.000 0.814 494 A HN 0.342 nan 8.150 nan 0.000 0.444 495 D N -0.055 120.287 120.400 -0.096 0.000 2.149 495 D HA -0.064 4.577 4.640 0.001 0.000 0.201 495 D C 1.852 178.129 176.300 -0.038 0.000 0.972 495 D CA 0.877 54.796 54.000 -0.135 0.000 0.835 495 D CB -0.307 40.176 40.800 -0.528 0.000 0.966 495 D HN 0.525 nan 8.370 nan 0.000 0.476 496 I N 0.481 121.020 120.570 -0.052 0.000 2.163 496 I HA -0.241 3.930 4.170 0.001 0.000 0.243 496 I C 2.360 178.524 176.117 0.080 0.000 1.085 496 I CA 0.738 62.057 61.300 0.031 0.000 1.347 496 I CB -0.178 37.820 38.000 -0.002 0.000 1.044 496 I HN -0.106 nan 8.210 nan 0.000 0.408 497 V N -0.295 119.673 119.914 0.089 0.000 2.427 497 V HA -0.267 3.853 4.120 0.001 0.000 0.248 497 V C 2.555 178.808 176.094 0.266 0.000 1.051 497 V CA 2.070 64.489 62.300 0.198 0.000 1.048 497 V CB -0.462 31.496 31.823 0.225 0.000 0.666 497 V HN 0.437 nan 8.190 nan 0.000 0.456 498 S N 0.402 116.217 115.700 0.191 0.000 2.355 498 S HA -0.199 4.272 4.470 0.001 0.000 0.222 498 S C 1.957 176.637 174.600 0.132 0.000 1.031 498 S CA 1.800 60.106 58.200 0.177 0.000 0.993 498 S CB -0.387 62.933 63.200 0.200 0.000 0.859 498 S HN 0.623 nan 8.310 nan 0.000 0.453 499 N N 1.476 120.280 118.700 0.173 0.000 2.120 499 N HA -0.067 4.673 4.740 0.001 0.000 0.188 499 N C 1.694 177.302 175.510 0.163 0.000 1.024 499 N CA 1.286 54.447 53.050 0.184 0.000 0.852 499 N CB -0.755 37.831 38.487 0.166 0.000 1.003 499 N HN 0.465 nan 8.380 nan 0.000 0.424 500 L N -0.207 121.122 121.223 0.176 0.000 2.017 500 L HA -0.135 4.206 4.340 0.001 0.000 0.208 500 L C 2.137 179.120 176.870 0.188 0.000 1.073 500 L CA 1.656 56.619 54.840 0.204 0.000 0.745 500 L CB -1.093 41.110 42.059 0.240 0.000 0.894 500 L HN 0.118 nan 8.230 nan 0.000 0.432 501 Y N 1.109 121.408 120.300 -0.001 0.000 2.145 501 Y HA 0.048 4.599 4.550 0.001 0.000 0.286 501 Y C 1.756 177.488 175.900 -0.279 0.000 1.145 501 Y CA 0.395 58.319 58.100 -0.293 0.000 1.148 501 Y CB -1.009 37.164 38.460 -0.478 0.000 0.981 501 Y HN 0.355 nan 8.280 nan 0.000 0.507 505 S N 1.093 116.621 115.700 -0.288 0.000 2.356 505 S HA -0.086 4.384 4.470 0.001 0.000 0.223 505 S C 1.951 176.402 174.600 -0.248 0.000 1.032 505 S CA 1.422 59.408 58.200 -0.358 0.000 1.005 505 S CB -0.179 62.666 63.200 -0.592 0.000 0.867 505 S HN 0.462 nan 8.310 nan 0.000 0.449 506 A N 1.278 123.976 122.820 -0.204 0.000 1.877 506 A HA -0.063 4.258 4.320 0.001 0.000 0.216 506 A C 2.368 180.015 177.584 0.104 0.000 1.186 506 A CA 1.649 53.646 52.037 -0.068 0.000 0.620 506 A CB -1.019 18.038 19.000 0.096 0.000 0.822 506 A HN 0.331 nan 8.150 nan 0.000 0.443 507 V N 0.094 120.057 119.914 0.081 0.000 2.261 507 V HA -0.269 3.852 4.120 0.001 0.000 0.246 507 V C 2.580 178.704 176.094 0.050 0.000 1.047 507 V CA 2.097 64.449 62.300 0.086 0.000 1.015 507 V CB -0.793 31.074 31.823 0.074 0.000 0.642 507 V HN 0.570 nan 8.190 nan 0.000 0.446 508 L N -0.439 120.788 121.223 0.007 0.000 2.141 508 L HA -0.153 4.187 4.340 0.001 0.000 0.209 508 L C 2.708 179.569 176.870 -0.016 0.000 1.094 508 L CA 1.615 56.451 54.840 -0.006 0.000 0.763 508 L CB -0.569 41.477 42.059 -0.022 0.000 0.908 508 L HN 0.291 nan 8.230 nan 0.000 0.437 509 R N -0.252 120.227 120.500 -0.034 0.000 2.075 509 R HA -0.137 4.204 4.340 0.001 0.000 0.232 509 R C 2.154 178.484 176.300 0.050 0.000 1.126 509 R CA 1.889 57.967 56.100 -0.036 0.000 0.963 509 R CB -0.186 30.046 30.300 -0.114 0.000 0.858 509 R HN 0.215 nan 8.270 nan 0.000 0.435 510 T N 0.652 115.282 114.554 0.126 0.000 2.777 510 T HA -0.151 4.199 4.350 0.001 0.000 0.266 510 T C 1.539 176.269 174.700 0.051 0.000 1.040 510 T CA 1.471 63.647 62.100 0.127 0.000 1.141 510 T CB -0.173 68.787 68.868 0.154 0.000 0.868 510 T HN 0.438 nan 8.240 nan 0.000 0.444 511 E N 1.190 121.414 120.200 0.041 0.000 2.058 511 E HA -0.232 4.119 4.350 0.001 0.000 0.194 511 E C 2.232 178.836 176.600 0.007 0.000 0.997 511 E CA 1.320 57.733 56.400 0.021 0.000 0.801 511 E CB -0.074 29.640 29.700 0.023 0.000 0.746 511 E HN 0.380 nan 8.360 nan 0.000 0.450 512 K N 0.060 120.460 120.400 -0.000 0.000 2.032 512 K HA -0.193 4.128 4.320 0.001 0.000 0.209 512 K C 2.061 178.648 176.600 -0.022 0.000 1.048 512 K CA 1.434 57.710 56.287 -0.018 0.000 0.927 512 K CB -0.258 32.218 32.500 -0.039 0.000 0.712 512 K HN 0.194 nan 8.250 nan 0.000 0.441 513 A N 1.164 123.973 122.820 -0.018 0.000 1.883 513 A HA -0.176 4.145 4.320 0.001 0.000 0.217 513 A C 2.134 179.707 177.584 -0.018 0.000 1.186 513 A CA 1.775 53.799 52.037 -0.021 0.000 0.624 513 A CB -0.704 18.293 19.000 -0.006 0.000 0.822 513 A HN 0.369 nan 8.150 nan 0.000 0.444 514 I N -0.306 120.258 120.570 -0.011 0.000 2.208 514 I HA -0.306 3.864 4.170 0.001 0.000 0.245 514 I C 2.512 178.622 176.117 -0.012 0.000 1.097 514 I CA 2.046 63.339 61.300 -0.013 0.000 1.363 514 I CB -0.194 37.801 38.000 -0.007 0.000 1.051 514 I HN 0.435 nan 8.210 nan 0.000 0.413 515 K N 0.505 120.900 120.400 -0.009 0.000 2.209 515 K HA -0.127 4.194 4.320 0.001 0.000 0.204 515 K C 1.689 178.282 176.600 -0.011 0.000 1.048 515 K CA 1.796 58.078 56.287 -0.007 0.000 0.940 515 K CB -0.101 32.397 32.500 -0.004 0.000 0.729 515 K HN 0.197 nan 8.250 nan 0.000 0.451 516 T N -1.168 113.377 114.554 -0.016 0.000 3.033 516 T HA -0.011 4.340 4.350 0.001 0.000 0.248 516 T C 1.276 175.965 174.700 -0.019 0.000 1.040 516 T CA 1.194 63.282 62.100 -0.019 0.000 1.133 516 T CB 0.236 69.087 68.868 -0.028 0.000 0.895 516 T HN 0.526 nan 8.240 nan 0.000 0.465 517 T N -1.347 113.194 114.554 -0.021 0.000 3.058 517 T HA 0.552 4.902 4.350 0.001 0.000 0.278 517 T C 0.836 175.522 174.700 -0.022 0.000 0.974 517 T CA 0.196 62.283 62.100 -0.022 0.000 0.893 517 T CB 0.541 69.393 68.868 -0.027 0.000 1.138 517 T HN 0.625 nan 8.240 nan 0.000 0.529 518 G N 1.365 110.153 108.800 -0.021 0.000 2.690 518 G HA2 -0.017 3.944 3.960 0.001 0.000 0.686 518 G HA3 -0.017 3.944 3.960 0.001 0.000 0.686 518 G C 0.029 174.914 174.900 -0.026 0.000 1.277 518 G CA -0.324 44.764 45.100 -0.021 0.000 0.799 518 G HN 0.468 nan 8.290 nan 0.000 0.613 519 L N 0.520 121.728 121.223 -0.024 0.000 2.046 519 L HA 0.068 4.408 4.340 0.001 0.000 0.208 519 L C 2.562 179.408 176.870 -0.039 0.000 1.077 519 L CA 3.136 57.959 54.840 -0.029 0.000 0.747 519 L CB -0.626 41.418 42.059 -0.025 0.000 0.896 519 L HN 0.814 nan 8.230 nan 0.000 0.432 520 E N -0.615 119.564 120.200 -0.036 0.000 2.153 520 E HA -0.231 4.119 4.350 0.001 0.000 0.194 520 E C 1.938 178.509 176.600 -0.048 0.000 0.988 520 E CA 1.325 57.701 56.400 -0.040 0.000 0.811 520 E CB -0.101 29.580 29.700 -0.032 0.000 0.746 520 E HN 0.466 nan 8.360 nan 0.000 0.466 521 K N 0.212 120.584 120.400 -0.046 0.000 2.459 521 K HA 0.076 4.397 4.320 0.001 0.000 0.193 521 K C 0.650 177.209 176.600 -0.068 0.000 1.030 521 K CA 0.234 56.490 56.287 -0.052 0.000 1.026 521 K CB 0.377 32.852 32.500 -0.041 0.000 0.809 521 K HN -0.004 nan 8.250 nan 0.000 0.504 522 N N 0.664 119.322 118.700 -0.072 0.000 2.282 522 N HA 0.015 4.755 4.740 0.001 0.000 0.240 522 N C 0.602 176.037 175.510 -0.126 0.000 1.182 522 N CA 0.108 53.104 53.050 -0.091 0.000 0.874 522 N CB 0.833 39.283 38.487 -0.061 0.000 1.126 522 N HN 0.112 nan 8.380 nan 0.000 0.516 523 K N 0.951 121.275 120.400 -0.128 0.000 2.097 523 K HA -0.192 4.129 4.320 0.001 0.000 0.206 523 K C 1.862 178.319 176.600 -0.239 0.000 1.049 523 K CA 1.371 57.570 56.287 -0.147 0.000 0.933 523 K CB 0.341 32.770 32.500 -0.118 0.000 0.717 523 K HN -0.037 nan 8.250 nan 0.000 0.442 524 Q N 1.164 120.780 119.800 -0.308 0.000 2.084 524 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 524 Q C 1.603 177.143 176.000 -0.767 0.000 0.978 524 Q CA 1.855 57.328 55.803 -0.551 0.000 0.844 524 Q CB 0.097 28.518 28.738 -0.529 0.000 0.898 524 Q HN 0.210 nan 8.270 nan 0.000 0.426 525 K N -0.911 119.179 120.400 -0.517 0.000 2.063 525 K HA -0.124 4.196 4.320 0.001 0.000 0.208 525 K C 1.981 178.395 176.600 -0.311 0.000 1.048 525 K CA 1.509 57.497 56.287 -0.498 0.000 0.928 525 K CB -0.165 32.195 32.500 -0.232 0.000 0.713 525 K HN 0.087 nan 8.250 nan 0.000 0.442 526 V N 1.706 121.499 119.914 -0.201 0.000 2.343 526 V HA -0.230 3.890 4.120 0.001 0.000 0.247 526 V C 2.163 178.204 176.094 -0.089 0.000 1.051 526 V CA 1.539 63.781 62.300 -0.097 0.000 1.036 526 V CB -0.361 31.419 31.823 -0.072 0.000 0.654 526 V HN 0.273 nan 8.190 nan 0.000 0.451 527 L N -1.646 119.470 121.223 -0.179 0.000 2.056 527 L HA -0.175 4.166 4.340 0.001 0.000 0.207 527 L C 2.570 179.437 176.870 -0.006 0.000 1.078 527 L CA 1.580 56.346 54.840 -0.122 0.000 0.749 527 L CB -0.711 41.231 42.059 -0.196 0.000 0.901 527 L HN 0.276 nan 8.230 nan 0.000 0.433 528 Y N 0.359 120.601 120.300 -0.096 0.000 2.128 528 Y HA -0.244 4.307 4.550 0.001 0.000 0.284 528 Y C 2.908 178.882 175.900 0.123 0.000 1.154 528 Y CA 1.457 59.537 58.100 -0.034 0.000 1.149 528 Y CB -1.452 36.828 38.460 -0.299 0.000 0.976 528 Y HN 0.151 nan 8.280 nan 0.000 0.505 529 T N -0.288 114.422 114.554 0.259 0.000 2.737 529 T HA -0.166 4.185 4.350 0.001 0.000 0.265 529 T C 1.743 176.589 174.700 0.242 0.000 1.038 529 T CA 1.616 63.896 62.100 0.299 0.000 1.144 529 T CB -0.258 68.743 68.868 0.222 0.000 0.866 529 T HN 0.390 nan 8.240 nan 0.000 0.434 530 E N 0.358 120.648 120.200 0.151 0.000 2.058 530 E HA -0.113 4.238 4.350 0.001 0.000 0.194 530 E C 2.368 179.049 176.600 0.135 0.000 0.997 530 E CA 1.097 57.564 56.400 0.112 0.000 0.801 530 E CB -0.256 29.484 29.700 0.066 0.000 0.746 530 E HN 0.214 nan 8.360 nan 0.000 0.450 531 V N 0.725 120.741 119.914 0.170 0.000 2.307 531 V HA -0.218 3.903 4.120 0.001 0.000 0.245 531 V C 1.963 178.174 176.094 0.194 0.000 1.045 531 V CA 1.656 64.058 62.300 0.170 0.000 1.024 531 V CB -0.433 31.504 31.823 0.190 0.000 0.651 531 V HN 0.233 nan 8.190 nan 0.000 0.449 532 F N 0.487 120.531 119.950 0.156 0.000 2.102 532 F HA -0.229 4.298 4.527 0.001 0.000 0.298 532 F C 2.459 178.349 175.800 0.150 0.000 1.105 532 F CA 1.912 60.008 58.000 0.161 0.000 1.239 532 F CB -0.702 38.418 39.000 0.201 0.000 0.991 532 F HN 0.144 nan 8.300 nan 0.000 0.474 533 C N 0.243 119.608 119.300 0.109 0.000 2.413 533 C HA -0.221 4.240 4.460 0.001 0.000 0.276 533 C C 2.782 177.763 174.990 -0.015 0.000 1.248 533 C CA 1.523 60.554 59.018 0.021 0.000 1.742 533 C CB -1.382 26.420 27.740 0.103 0.000 2.017 533 C HN 0.654 nan 8.230 nan 0.000 0.481 534 Q N 0.709 120.522 119.800 0.021 0.000 2.050 534 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 534 Q C 2.218 178.258 176.000 0.066 0.000 0.980 534 Q CA 1.660 57.507 55.803 0.074 0.000 0.840 534 Q CB -0.076 28.719 28.738 0.095 0.000 0.898 534 Q HN 0.656 nan 8.270 nan 0.000 0.424 535 E N 0.121 120.303 120.200 -0.029 0.000 2.072 535 E HA -0.162 4.189 4.350 0.001 0.000 0.191 535 E C 1.981 178.506 176.600 -0.126 0.000 0.985 535 E CA 0.976 57.339 56.400 -0.061 0.000 0.801 535 E CB -0.223 29.431 29.700 -0.078 0.000 0.750 535 E HN 0.484 nan 8.360 nan 0.000 0.452 536 A N 1.305 123.937 122.820 -0.314 0.000 1.902 536 A HA -0.163 4.157 4.320 0.001 0.000 0.217 536 A C 2.011 179.560 177.584 -0.058 0.000 1.181 536 A CA 1.062 52.919 52.037 -0.299 0.000 0.623 536 A CB -0.786 17.824 19.000 -0.650 0.000 0.818 536 A HN 0.253 nan 8.150 nan 0.000 0.443 537 F N 1.271 121.146 119.950 -0.125 0.000 2.186 537 F HA -0.164 4.364 4.527 0.001 0.000 0.299 537 F C 2.008 177.801 175.800 -0.012 0.000 1.090 537 F CA 1.934 59.905 58.000 -0.049 0.000 1.307 537 F CB -0.433 38.532 39.000 -0.058 0.000 1.019 537 F HN 0.333 nan 8.300 nan 0.000 0.489 538 N N 0.003 118.785 118.700 0.137 0.000 2.104 538 N HA -0.222 4.519 4.740 0.001 0.000 0.190 538 N C 1.640 177.093 175.510 -0.094 0.000 1.024 538 N CA 1.559 54.631 53.050 0.037 0.000 0.853 538 N CB -0.242 38.280 38.487 0.059 0.000 1.008 538 N HN 0.451 nan 8.380 nan 0.000 0.424 539 E N 0.904 121.042 120.200 -0.105 0.000 2.051 539 E HA -0.165 4.186 4.350 0.001 0.000 0.192 539 E C 2.059 178.543 176.600 -0.193 0.000 0.991 539 E CA 0.822 57.118 56.400 -0.173 0.000 0.799 539 E CB -0.117 29.549 29.700 -0.058 0.000 0.748 539 E HN 0.389 nan 8.360 nan 0.000 0.449 540 I N 1.294 121.790 120.570 -0.123 0.000 2.151 540 I HA -0.342 3.829 4.170 0.001 0.000 0.243 540 I C 2.726 178.711 176.117 -0.220 0.000 1.080 540 I CA 1.486 62.700 61.300 -0.143 0.000 1.339 540 I CB -0.335 37.494 38.000 -0.285 0.000 1.039 540 I HN 0.184 nan 8.210 nan 0.000 0.409 541 E N 1.125 121.123 120.200 -0.336 0.000 2.058 541 E HA -0.288 4.063 4.350 0.001 0.000 0.194 541 E C 2.243 178.762 176.600 -0.134 0.000 0.997 541 E CA 1.613 57.876 56.400 -0.229 0.000 0.801 541 E CB -0.091 29.507 29.700 -0.171 0.000 0.746 541 E HN 0.499 nan 8.360 nan 0.000 0.450 542 A N 0.868 123.589 122.820 -0.165 0.000 1.902 542 A HA -0.214 4.106 4.320 0.001 0.000 0.217 542 A C 2.009 179.511 177.584 -0.136 0.000 1.181 542 A CA 1.704 53.642 52.037 -0.164 0.000 0.623 542 A CB -0.880 17.984 19.000 -0.227 0.000 0.818 542 A HN 0.399 nan 8.150 nan 0.000 0.443 543 H N -0.290 118.752 119.070 -0.046 0.000 2.353 543 H HA -0.032 4.524 4.556 0.001 0.000 0.300 543 H C 2.557 177.862 175.328 -0.037 0.000 1.090 543 H CA 1.393 57.422 56.048 -0.033 0.000 1.327 543 H CB -0.649 29.096 29.762 -0.030 0.000 1.383 543 H HN 0.525 nan 8.280 nan 0.000 0.508 544 A N 1.171 124.022 122.820 0.052 0.000 1.902 544 A HA -0.190 4.131 4.320 0.001 0.000 0.217 544 A C 2.446 180.033 177.584 0.006 0.000 1.181 544 A CA 1.777 53.819 52.037 0.008 0.000 0.623 544 A CB -0.401 18.574 19.000 -0.041 0.000 0.818 544 A HN 0.347 nan 8.150 nan 0.000 0.443 545 K N -0.315 120.080 120.400 -0.007 0.000 2.032 545 K HA -0.217 4.104 4.320 0.001 0.000 0.209 545 K C 2.124 178.731 176.600 0.012 0.000 1.048 545 K CA 1.764 58.050 56.287 -0.002 0.000 0.927 545 K CB -0.182 32.310 32.500 -0.014 0.000 0.712 545 K HN 0.633 nan 8.250 nan 0.000 0.441 546 E N -0.513 119.699 120.200 0.020 0.000 2.110 546 E HA -0.158 4.192 4.350 0.001 0.000 0.193 546 E C 1.523 178.148 176.600 0.041 0.000 0.988 546 E CA 1.630 58.050 56.400 0.033 0.000 0.804 546 E CB 0.073 29.801 29.700 0.047 0.000 0.745 546 E HN 0.315 nan 8.360 nan 0.000 0.458 547 T N 1.497 116.078 114.554 0.045 0.000 2.708 547 T HA -0.124 4.227 4.350 0.001 0.000 0.266 547 T C 1.922 176.649 174.700 0.045 0.000 1.037 547 T CA 1.138 63.265 62.100 0.045 0.000 1.146 547 T CB -0.180 68.710 68.868 0.037 0.000 0.865 547 T HN 0.147 nan 8.240 nan 0.000 0.435 548 L N 0.254 121.495 121.223 0.030 0.000 2.017 548 L HA -0.032 4.309 4.340 0.001 0.000 0.208 548 L C 2.452 179.338 176.870 0.026 0.000 1.073 548 L CA 1.230 56.084 54.840 0.023 0.000 0.745 548 L CB -0.594 41.472 42.059 0.012 0.000 0.894 548 L HN 0.243 nan 8.230 nan 0.000 0.432 549 I N -0.074 120.512 120.570 0.025 0.000 2.335 549 I HA -0.284 3.887 4.170 0.001 0.000 0.251 549 I C 2.582 178.720 176.117 0.035 0.000 1.129 549 I CA 1.208 62.523 61.300 0.025 0.000 1.402 549 I CB -0.348 37.664 38.000 0.021 0.000 1.069 549 I HN 0.214 nan 8.210 nan 0.000 0.424 550 A N -0.488 122.363 122.820 0.052 0.000 2.072 550 A HA 0.030 4.351 4.320 0.001 0.000 0.216 550 A C 2.272 179.920 177.584 0.107 0.000 1.156 550 A CA 0.715 52.799 52.037 0.078 0.000 0.701 550 A CB -0.246 18.805 19.000 0.084 0.000 0.816 550 A HN 0.225 nan 8.150 nan 0.000 0.458 551 V N -0.329 119.635 119.914 0.084 0.000 2.825 551 V HA 0.069 4.189 4.120 0.001 0.000 0.246 551 V C 0.828 176.913 176.094 -0.014 0.000 1.068 551 V CA 1.012 63.349 62.300 0.063 0.000 1.088 551 V CB -0.167 31.699 31.823 0.072 0.000 0.733 551 V HN 0.559 nan 8.190 nan 0.000 0.468 552 E N 0.194 120.393 120.200 -0.002 0.000 2.450 552 E HA 0.488 4.838 4.350 0.001 0.000 0.272 552 E C -1.264 175.332 176.600 -0.008 0.000 0.967 552 E CA -0.783 55.607 56.400 -0.017 0.000 0.818 552 E CB 1.967 31.658 29.700 -0.015 0.000 1.401 552 E HN 0.395 nan 8.360 nan 0.000 0.450 553 N N -0.682 118.011 118.700 -0.012 0.000 3.020 553 N HA 0.453 5.194 4.740 0.001 0.000 0.248 553 N C 0.388 175.894 175.510 -0.007 0.000 1.480 553 N CA -0.039 53.008 53.050 -0.006 0.000 0.874 553 N CB 0.758 39.241 38.487 -0.007 0.000 1.433 553 N HN 0.697 nan 8.380 nan 0.000 0.530 554 G N 0.303 109.101 108.800 -0.004 0.000 2.550 554 G HA2 -0.247 3.714 3.960 0.001 0.000 0.277 554 G HA3 -0.247 3.714 3.960 0.001 0.000 0.277 554 G C -1.037 173.862 174.900 -0.003 0.000 1.190 554 G CA 0.681 45.779 45.100 -0.004 0.000 0.971 554 G HN 0.862 nan 8.290 nan 0.000 0.559 562 S N 0.245 115.955 115.700 0.017 0.000 2.368 562 S HA -0.107 4.363 4.470 0.001 0.000 0.224 562 S C 1.899 176.516 174.600 0.029 0.000 1.029 562 S CA 1.813 60.027 58.200 0.022 0.000 0.988 562 S CB 0.014 63.225 63.200 0.018 0.000 0.838 562 S HN 0.342 nan 8.310 nan 0.000 0.462 563 S N 1.774 117.489 115.700 0.024 0.000 2.370 563 S HA -0.068 4.403 4.470 0.001 0.000 0.226 563 S C 1.827 176.448 174.600 0.034 0.000 1.033 563 S CA 1.034 59.250 58.200 0.027 0.000 1.011 563 S CB -0.449 62.761 63.200 0.017 0.000 0.852 563 S HN 0.359 nan 8.310 nan 0.000 0.457 564 L N 2.037 123.277 121.223 0.028 0.000 2.056 564 L HA 0.033 4.374 4.340 0.001 0.000 0.207 564 L C 2.283 179.188 176.870 0.060 0.000 1.078 564 L CA 1.731 56.590 54.840 0.031 0.000 0.749 564 L CB -0.569 41.498 42.059 0.012 0.000 0.901 564 L HN 0.112 nan 8.230 nan 0.000 0.433 565 R N -0.318 120.216 120.500 0.056 0.000 2.103 565 R HA -0.223 4.118 4.340 0.001 0.000 0.242 565 R C 2.284 178.643 176.300 0.099 0.000 1.142 565 R CA 1.981 58.125 56.100 0.073 0.000 0.960 565 R CB -0.143 30.188 30.300 0.052 0.000 0.858 565 R HN 0.357 nan 8.270 nan 0.000 0.439 566 K N -0.090 120.362 120.400 0.085 0.000 2.057 566 K HA -0.096 4.224 4.320 0.001 0.000 0.207 566 K C 1.913 178.597 176.600 0.139 0.000 1.049 566 K CA 1.426 57.773 56.287 0.099 0.000 0.931 566 K CB -0.068 32.476 32.500 0.073 0.000 0.714 566 K HN 0.203 nan 8.250 nan 0.000 0.440 567 L N 0.536 121.836 121.223 0.128 0.000 2.376 567 L HA -0.084 4.256 4.340 0.001 0.000 0.219 567 L C 2.091 179.134 176.870 0.288 0.000 1.133 567 L CA 1.088 56.019 54.840 0.152 0.000 0.816 567 L CB -0.391 41.724 42.059 0.094 0.000 0.933 567 L HN 0.344 nan 8.230 nan 0.000 0.449 568 T N -4.565 110.176 114.554 0.312 0.000 3.001 568 T HA 0.130 4.481 4.350 0.001 0.000 0.251 568 T C 0.995 175.994 174.700 0.498 0.000 1.040 568 T CA -0.445 61.965 62.100 0.517 0.000 0.985 568 T CB 0.063 69.154 68.868 0.372 0.000 1.011 568 T HN 0.064 nan 8.240 nan 0.000 0.509 569 R N 3.183 123.874 120.500 0.318 0.000 2.484 569 R HA 0.320 4.661 4.340 0.001 0.000 0.293 569 R C 0.184 176.663 176.300 0.297 0.000 1.023 569 R CA 0.231 56.464 56.100 0.222 0.000 1.037 569 R CB 0.039 30.418 30.300 0.131 0.000 0.951 569 R HN 0.688 nan 8.270 nan 0.000 0.418 570 H N -0.993 118.100 119.070 0.038 0.000 2.887 570 H HA 0.176 4.733 4.556 0.001 0.000 0.290 570 H C -1.318 173.990 175.328 -0.034 0.000 1.429 570 H CA -0.923 55.104 56.048 -0.035 0.000 1.137 570 H CB 0.774 30.498 29.762 -0.064 0.000 1.824 570 H HN 0.296 nan 8.280 nan 0.000 0.520 571 T N 4.565 119.089 114.554 -0.049 0.000 2.729 571 T HA 0.291 4.641 4.350 0.001 0.000 0.296 571 T C -2.204 172.457 174.700 -0.065 0.000 0.928 571 T CA -0.871 61.172 62.100 -0.094 0.000 1.045 571 T CB 0.696 69.539 68.868 -0.043 0.000 0.902 571 T HN 0.322 nan 8.240 nan 0.000 0.500 572 P HA 0.271 nan 4.420 nan 0.000 0.274 572 P C -0.449 176.858 177.300 0.011 0.000 1.231 572 P CA -0.517 62.549 63.100 -0.057 0.000 0.790 572 P CB 0.861 32.505 31.700 -0.094 0.000 0.951 573 L N 1.902 123.154 121.223 0.049 0.000 2.399 573 L HA 0.293 4.634 4.340 0.001 0.000 0.266 573 L C 1.091 177.979 176.870 0.030 0.000 1.114 573 L CA -0.662 54.200 54.840 0.038 0.000 0.804 573 L CB 0.172 42.261 42.059 0.050 0.000 1.146 573 L HN 0.358 nan 8.230 nan 0.000 0.451 574 N N 1.101 119.815 118.700 0.022 0.000 2.448 574 N HA 0.079 4.819 4.740 0.001 0.000 0.250 574 N C 0.585 176.114 175.510 0.031 0.000 1.136 574 N CA -0.283 52.781 53.050 0.022 0.000 0.953 574 N CB 1.171 39.667 38.487 0.014 0.000 1.251 574 N HN 0.493 nan 8.380 nan 0.000 0.502 575 V N 2.438 122.377 119.914 0.040 0.000 2.871 575 V HA -0.047 4.074 4.120 0.001 0.000 0.256 575 V C 1.972 178.096 176.094 0.050 0.000 1.082 575 V CA 0.664 62.995 62.300 0.051 0.000 1.105 575 V CB -0.559 31.303 31.823 0.065 0.000 0.713 575 V HN 0.414 nan 8.190 nan 0.000 0.473 576 I N 1.249 121.845 120.570 0.043 0.000 2.127 576 I HA -0.083 4.088 4.170 0.001 0.000 0.241 576 I C 0.373 176.514 176.117 0.039 0.000 1.075 576 I CA 1.706 63.033 61.300 0.044 0.000 1.334 576 I CB -2.730 35.291 38.000 0.036 0.000 1.040 576 I HN 0.358 nan 8.210 nan 0.000 0.405 577 P HA -0.125 nan 4.420 nan 0.000 0.217 577 P C 1.658 178.970 177.300 0.020 0.000 1.150 577 P CA 1.478 64.591 63.100 0.021 0.000 0.832 577 P CB -0.062 31.646 31.700 0.013 0.000 0.787 578 K N 0.083 120.497 120.400 0.025 0.000 2.057 578 K HA -0.116 4.205 4.320 0.001 0.000 0.207 578 K C 2.000 178.620 176.600 0.033 0.000 1.049 578 K CA 1.333 57.632 56.287 0.020 0.000 0.931 578 K CB -0.233 32.284 32.500 0.029 0.000 0.714 578 K HN 0.151 nan 8.250 nan 0.000 0.440 579 K N 0.596 121.031 120.400 0.058 0.000 2.097 579 K HA -0.085 4.236 4.320 0.001 0.000 0.205 579 K C 2.171 178.811 176.600 0.066 0.000 1.050 579 K CA 1.037 57.373 56.287 0.082 0.000 0.938 579 K CB -0.038 32.521 32.500 0.099 0.000 0.718 579 K HN 0.104 nan 8.250 nan 0.000 0.442 580 R N 0.965 121.495 120.500 0.049 0.000 2.091 580 R HA -0.162 4.178 4.340 0.001 0.000 0.238 580 R C 2.278 178.592 176.300 0.022 0.000 1.136 580 R CA 1.406 57.530 56.100 0.039 0.000 0.959 580 R CB -0.206 30.113 30.300 0.031 0.000 0.856 580 R HN 0.328 nan 8.270 nan 0.000 0.437 581 E N 0.794 120.998 120.200 0.006 0.000 2.077 581 E HA -0.180 4.170 4.350 0.001 0.000 0.193 581 E C 2.043 178.624 176.600 -0.032 0.000 0.989 581 E CA 1.016 57.405 56.400 -0.019 0.000 0.800 581 E CB -0.032 29.648 29.700 -0.034 0.000 0.746 581 E HN 0.261 nan 8.360 nan 0.000 0.452 582 I N 0.842 121.400 120.570 -0.020 0.000 2.151 582 I HA -0.325 3.845 4.170 0.001 0.000 0.243 582 I C 2.515 178.651 176.117 0.033 0.000 1.080 582 I CA 1.307 62.595 61.300 -0.019 0.000 1.339 582 I CB -0.296 37.748 38.000 0.073 0.000 1.039 582 I HN 0.145 nan 8.210 nan 0.000 0.409 583 A N 0.412 123.268 122.820 0.060 0.000 1.972 583 A HA -0.139 4.181 4.320 0.001 0.000 0.219 583 A C 2.507 180.114 177.584 0.038 0.000 1.169 583 A CA 1.741 53.820 52.037 0.070 0.000 0.635 583 A CB -0.798 18.247 19.000 0.074 0.000 0.810 583 A HN 0.454 nan 8.150 nan 0.000 0.446 584 A N -0.067 122.761 122.820 0.014 0.000 1.902 584 A HA -0.146 4.174 4.320 0.001 0.000 0.217 584 A C 2.078 179.658 177.584 -0.008 0.000 1.181 584 A CA 2.265 54.301 52.037 -0.001 0.000 0.623 584 A CB -0.378 18.615 19.000 -0.011 0.000 0.818 584 A HN 0.478 nan 8.150 nan 0.000 0.443 585 K N -0.086 120.302 120.400 -0.020 0.000 2.057 585 K HA -0.032 4.288 4.320 0.001 0.000 0.206 585 K C 1.664 178.262 176.600 -0.003 0.000 1.050 585 K CA 1.310 57.578 56.287 -0.031 0.000 0.935 585 K CB -0.314 32.141 32.500 -0.075 0.000 0.715 585 K HN 0.337 nan 8.250 nan 0.000 0.439 586 I N 1.089 121.676 120.570 0.029 0.000 2.208 586 I HA -0.261 3.910 4.170 0.001 0.000 0.245 586 I C 2.143 178.293 176.117 0.054 0.000 1.097 586 I CA 1.444 62.785 61.300 0.068 0.000 1.363 586 I CB -0.953 37.120 38.000 0.122 0.000 1.051 586 I HN 0.208 nan 8.210 nan 0.000 0.413 587 L N 0.066 121.312 121.223 0.038 0.000 2.156 587 L HA -0.151 4.190 4.340 0.001 0.000 0.208 587 L C 2.531 179.406 176.870 0.009 0.000 1.095 587 L CA 0.872 55.726 54.840 0.023 0.000 0.770 587 L CB -0.429 41.635 42.059 0.009 0.000 0.914 587 L HN 0.276 nan 8.230 nan 0.000 0.439 588 E N 0.391 120.593 120.200 0.003 0.000 2.031 588 E HA -0.239 4.112 4.350 0.001 0.000 0.193 588 E C 1.407 178.009 176.600 0.003 0.000 0.994 588 E CA 1.583 57.981 56.400 -0.004 0.000 0.800 588 E CB 0.172 29.865 29.700 -0.012 0.000 0.752 588 E HN 0.411 nan 8.360 nan 0.000 0.447 589 D N 0.277 120.682 120.400 0.009 0.000 2.317 589 D HA -0.076 4.565 4.640 0.001 0.000 0.211 589 D C -0.157 176.163 176.300 0.034 0.000 0.966 589 D CA 0.536 54.546 54.000 0.017 0.000 0.876 589 D CB 0.014 40.823 40.800 0.015 0.000 0.927 589 D HN 0.271 nan 8.370 nan 0.000 0.519 590 E N 0.301 120.526 120.200 0.041 0.000 2.360 590 E HA -0.265 4.086 4.350 0.001 0.000 0.238 590 E C 0.027 176.677 176.600 0.084 0.000 1.186 590 E CA 0.456 56.891 56.400 0.058 0.000 0.719 590 E CB -1.302 28.425 29.700 0.045 0.000 1.236 590 E HN 0.534 nan 8.360 nan 0.000 0.386 591 R N -1.212 119.348 120.500 0.101 0.000 2.765 591 R HA 0.312 4.652 4.340 0.001 0.000 0.277 591 R C -1.002 175.406 176.300 0.181 0.000 1.028 591 R CA -1.040 55.146 56.100 0.143 0.000 0.860 591 R CB 0.412 30.789 30.300 0.129 0.000 1.270 591 R HN 0.025 nan 8.270 nan 0.000 0.484 592 Y N 2.111 122.474 120.300 0.106 0.000 2.632 592 Y HA 0.272 4.823 4.550 0.001 0.000 0.329 592 Y C -0.505 175.475 175.900 0.134 0.000 1.174 592 Y CA 1.368 59.545 58.100 0.129 0.000 1.469 592 Y CB 0.778 39.305 38.460 0.111 0.000 1.242 592 Y HN 0.817 nan 8.280 nan 0.000 0.540 593 T N 3.448 117.777 114.554 -0.375 0.000 2.865 593 T HA 0.762 5.112 4.350 0.001 0.000 0.294 593 T C -1.263 173.189 174.700 -0.413 0.000 1.119 593 T CA -0.862 61.042 62.100 -0.325 0.000 1.007 593 T CB 1.500 70.296 68.868 -0.120 0.000 1.225 593 T HN 0.645 nan 8.240 nan 0.000 0.515 594 V N 0.000 119.781 119.914 -0.222 0.000 2.409 594 V HA 0.000 4.121 4.120 0.001 0.000 0.244 594 V CA 0.000 62.233 62.300 -0.111 0.000 1.235 594 V CB 0.000 31.840 31.823 0.028 0.000 1.184 594 V HN 0.000 nan 8.190 nan 0.000 0.556